#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynn s GLU 2 N 0.00 1.39 -0.07 0.03 -1.05 -1.26 -4.81 118.70 112.93 1ynn s GLU 2 Ca 0.00 0.66 0.03 0.00 -0.15 0.00 0.00 54.97 55.51 1ynn s GLU 2 Cb 0.00 -1.84 0.01 0.00 -0.44 0.00 0.00 34.13 31.86 1ynn s GLU 2 CO 0.00 -2.11 -0.16 0.42 0.95 0.00 0.00 175.26 174.36 1ynn s ILE 3 N -3.05 1.42 -0.24 1.83 -1.09 -1.26 -1.89 121.20 116.92 1ynn s ILE 3 Ca 0.63 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 58.40 1ynn s ILE 3 Cb -0.16 -1.26 0.04 0.00 -1.58 0.00 0.00 42.46 39.49 1ynn s ILE 3 CO 0.56 0.42 -0.12 -0.54 -1.23 0.00 0.00 174.94 174.03 1ynn s LYS 4 N 0.48 2.59 0.62 2.79 1.02 -1.11 -5.02 119.74 121.12 1ynn s LYS 4 Ca -0.14 -1.12 -0.10 0.00 0.02 0.00 0.00 55.97 54.63 1ynn s LYS 4 Cb -0.16 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1ynn s LYS 4 CO 0.05 -0.43 1.01 0.50 -0.92 0.00 0.00 175.35 175.56 1ynn s ARG 5 N 1.21 3.43 0.05 1.68 3.52 -1.26 -1.67 118.95 125.91 1ynn s ARG 5 Ca -0.03 0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 56.18 1ynn s ARG 5 Cb -0.17 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1ynn s ARG 5 CO -0.07 -0.62 -0.03 -0.06 -0.81 0.00 0.00 175.30 173.70 1ynn s PHE 6 N -3.16 0.54 0.26 5.12 2.99 -0.90 -4.88 117.98 117.95 1ynn s PHE 6 Ca 0.55 -0.99 0.00 0.00 0.00 0.00 0.00 56.93 56.49 1ynn s PHE 6 Cb -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 43.02 42.53 1ynn s PHE 6 CO 0.52 -0.33 0.00 0.41 -0.00 0.00 0.00 175.22 175.82 1ynn n GLY 7 N 0.27 -3.26 0.00 4.36 0.00 -1.24 -4.71 105.19 100.61 1ynn n GLY 7 Ca -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1ynn n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ynn n ARG 8 N -2.23 0.00 -2.03 1.61 3.00 -1.26 -4.94 116.66 110.81 1ynn n ARG 8 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1ynn n ARG 8 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.69 1ynn n ARG 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1ynn n ILE 9 N 0.00 -0.90 -3.14 5.15 5.41 -1.26 -4.94 119.36 119.68 1ynn n ILE 9 Ca 0.00 0.14 -0.39 0.00 1.00 0.00 0.00 62.75 63.51 1ynn n ILE 9 Cb 0.00 -1.69 -0.06 0.00 -0.71 0.00 0.00 39.64 37.18 1ynn n ILE 9 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1ynn s ARG 10 N -0.28 4.34 -0.29 0.38 6.06 -1.26 -5.02 118.95 122.89 1ynn s ARG 10 Ca 0.00 0.91 -0.29 0.00 -2.50 0.00 0.00 55.73 53.85 1ynn s ARG 10 Cb 0.00 -3.20 0.01 0.00 0.06 0.00 0.00 34.95 31.82 1ynn s ARG 10 CO 0.00 0.58 1.20 -1.21 -2.50 0.00 0.00 175.30 173.37 1ynn s GLU 11 N -1.25 4.03 0.46 5.12 0.41 -1.26 -4.91 118.70 121.29 1ynn s GLU 11 Ca 0.33 1.24 0.11 0.00 -0.41 0.00 0.00 54.97 56.25 1ynn s GLU 11 Cb -0.20 -3.80 1.05 0.00 -1.78 0.00 0.00 34.13 29.39 1ynn s GLU 11 CO 0.22 -0.97 2.09 0.28 -0.49 0.00 0.00 175.26 176.40 1ynn h VAL 12 N 5.79 1.06 -3.99 2.63 2.07 -1.96 -3.42 116.25 118.44 1ynn h VAL 12 Ca -0.24 -0.13 -0.37 0.00 0.82 0.00 0.00 66.70 66.78 1ynn h VAL 12 Cb 1.08 0.77 -0.28 0.00 -1.52 0.00 0.00 31.29 31.35 1ynn h VAL 12 CO 1.02 0.06 -0.77 0.27 0.02 0.00 0.00 177.57 178.18 1ynn s ILE 13 N -5.25 0.64 0.91 4.57 -4.36 -1.26 -5.11 121.20 111.34 1ynn s ILE 13 Ca -0.07 -0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 59.78 1ynn s ILE 13 Cb 0.17 -0.56 0.14 0.00 1.25 0.00 0.00 42.46 43.46 1ynn s ILE 13 CO 0.70 0.12 1.10 -2.84 0.24 0.00 0.00 174.94 174.27 1ynn s PRO 14 N -0.35 1.09 0.34 0.37 0.02 -1.26 -4.99 135.00 130.22 1ynn s PRO 14 Ca 0.02 1.17 -0.29 0.00 0.02 0.00 0.00 61.00 61.93 1ynn s PRO 14 Cb -0.04 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.61 1ynn s PRO 14 CO -0.00 -2.46 1.38 -0.51 -0.33 0.00 0.00 177.00 175.08 1ynn s LEU 15 N -6.43 4.39 1.03 -5.54 1.02 -1.26 -5.01 118.68 106.88 1ynn s LEU 15 Ca 0.65 2.80 -0.19 0.00 0.02 0.00 0.00 54.13 57.41 1ynn s LEU 15 Cb -0.20 -3.65 -0.02 0.00 0.02 0.00 0.00 46.19 42.33 1ynn s LEU 15 CO 0.58 -0.66 -0.40 -2.65 0.02 0.00 0.00 176.35 173.25 1ynn n PRO 16 N 0.86 -0.67 0.00 1.29 -0.01 -1.26 -4.83 135.00 130.38 1ynn n PRO 16 Ca 0.01 -0.18 0.04 0.00 -0.01 0.00 0.00 63.50 63.36 1ynn n PRO 16 Cb 0.41 -1.46 0.22 0.00 -0.01 0.00 0.00 33.50 32.66 1ynn n PRO 16 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1ynn n PRO 17 N -0.18 0.15 0.00 0.52 -0.02 -1.26 -4.89 135.00 129.32 1ynn n PRO 17 Ca 0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1ynn n PRO 17 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1ynn n PRO 17 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ynn n LEU 18 N -1.22 0.00 -0.33 2.45 4.77 -1.26 -4.37 117.00 117.03 1ynn n LEU 18 Ca 0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.04 1ynn n LEU 18 Cb 0.06 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1ynn n LEU 18 CO 0.06 0.00 0.46 0.35 -1.33 0.00 0.00 177.39 176.93 1ynn n THR 19 N 0.00 0.19 -0.13 -5.08 -2.24 -1.26 -4.40 114.28 101.36 1ynn n THR 19 Ca 0.00 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 1ynn n THR 19 Cb 0.00 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1ynn n THR 19 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ynn h GLU 20 N 0.50 -0.05 -0.94 -0.78 4.39 -1.96 -1.20 114.58 114.54 1ynn h GLU 20 Ca 0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1ynn h GLU 20 Cb 0.31 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 28.82 1ynn h GLU 20 CO 0.02 -0.03 -0.39 0.44 -1.16 0.00 0.00 179.01 177.88 1ynn n ILE 21 N -3.82 -0.52 0.11 3.13 -6.64 -1.26 -0.96 119.36 109.41 1ynn n ILE 21 Ca 0.00 2.21 -0.04 0.00 -1.77 0.00 0.00 62.75 63.15 1ynn n ILE 21 Cb 0.11 -2.89 -0.02 0.00 -1.44 0.00 0.00 39.64 35.40 1ynn n ILE 21 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 1ynn h GLN 22 N 0.00 -0.27 0.36 6.28 5.75 -1.83 -3.26 115.11 122.14 1ynn h GLN 22 Ca 0.30 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1ynn h GLN 22 Cb 0.54 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.15 1ynn h GLN 22 CO -0.93 -0.18 -0.17 0.28 -2.65 0.00 0.00 178.83 175.18 1ynn h VAL 23 N -0.34 0.65 0.00 2.39 2.07 -0.79 -3.19 116.25 117.05 1ynn h VAL 23 Ca -0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1ynn h VAL 23 Cb 0.22 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ynn h VAL 23 CO 0.05 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 1ynn n GLU 24 N -5.22 0.11 -0.01 1.57 -0.58 -0.13 -2.90 120.64 113.47 1ynn n GLU 24 Ca -0.10 0.12 -0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1ynn n GLU 24 Cb 0.25 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1ynn n GLU 24 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1ynn h SER 25 N 0.00 0.00 -0.92 1.62 0.87 -1.59 -3.34 113.55 110.20 1ynn h SER 25 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1ynn h SER 25 Cb 0.30 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.14 1ynn h SER 25 CO 0.00 0.13 -0.49 0.00 -0.53 0.00 0.00 176.83 175.94 1ynn n TYR 26 N -2.65 -0.28 -0.28 2.24 9.36 -1.21 0.44 117.16 124.79 1ynn n TYR 26 Ca -0.01 1.14 -0.00 0.00 3.32 0.00 0.00 57.90 62.36 1ynn n TYR 26 Cb 0.02 -0.65 0.04 0.00 -0.63 0.00 0.00 39.34 38.12 1ynn n TYR 26 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ynn n LYS 27 N -5.21 -0.16 0.00 2.98 4.81 -1.14 0.59 118.16 120.04 1ynn n LYS 27 Ca 0.04 1.12 0.14 0.00 -0.87 0.00 0.00 58.31 58.74 1ynn n LYS 27 Cb 0.28 -1.66 0.64 0.00 0.02 0.00 0.00 35.03 34.31 1ynn n LYS 27 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1ynn n LYS 28 N -5.08 0.80 0.00 1.64 2.85 0.17 -0.49 118.16 118.05 1ynn n LYS 28 Ca 0.08 -0.26 0.11 0.00 -1.05 0.00 0.00 58.31 57.18 1ynn n LYS 28 Cb 0.30 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.15 1ynn n LYS 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ynn n ALA 29 N -0.87 4.10 0.15 0.58 0.00 0.20 -4.44 120.51 120.22 1ynn n ALA 29 Ca 0.16 -0.51 0.06 0.00 0.00 0.00 0.00 53.44 53.15 1ynn n ALA 29 Cb 0.26 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 1ynn n ALA 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ynn n LEU 30 N -1.67 0.16 -3.56 0.00 7.94 0.10 -0.52 117.00 119.45 1ynn n LEU 30 Ca 0.03 -0.14 -0.17 0.00 -1.11 0.00 0.00 56.01 54.62 1ynn n LEU 30 Cb 0.38 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.30 1ynn n LEU 30 CO 0.41 0.04 -0.17 0.00 -1.11 0.00 0.00 177.39 176.57 1ynn n GLN 31 N -1.75 -0.85 0.02 1.96 6.02 0.36 -4.78 117.38 118.36 1ynn n GLN 31 Ca -0.01 -0.08 -0.08 0.00 -0.01 0.00 0.00 57.00 56.83 1ynn n GLN 31 Cb 0.28 -1.25 0.09 0.00 1.02 0.00 0.00 30.24 30.38 1ynn n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ynn h ALA 32 N 1.84 0.78 -2.48 -1.58 0.00 -1.95 -3.35 119.26 112.51 1ynn h ALA 32 Ca -0.32 -0.49 -0.60 0.00 0.00 0.00 0.00 54.91 53.50 1ynn h ALA 32 Cb 0.65 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.94 1ynn h ALA 32 CO 0.29 0.68 -0.76 -0.25 0.00 0.00 0.00 179.25 179.21 1ynn n ASP 33 N -3.97 2.01 -3.65 0.00 8.00 -1.26 -4.94 116.55 112.74 1ynn n ASP 33 Ca -0.03 -3.02 -0.06 0.00 0.71 0.00 0.00 54.79 52.40 1ynn n ASP 33 Cb 0.58 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 1ynn n ASP 33 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ynn s VAL 34 N -1.40 -0.42 -0.14 2.53 0.11 -1.26 -5.13 120.40 114.70 1ynn s VAL 34 Ca 0.33 0.04 -0.41 0.00 -2.93 0.00 0.00 61.98 59.00 1ynn s VAL 34 Cb 0.07 -0.89 -0.20 0.00 -1.53 0.00 0.00 36.38 33.83 1ynn s VAL 34 CO -0.12 0.02 1.20 -2.65 -3.33 0.00 0.00 175.10 170.22 1ynn n PRO 35 N 4.83 0.00 0.00 1.54 -0.02 -1.26 -4.67 135.00 135.42 1ynn n PRO 35 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1ynn n PRO 35 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1ynn n PRO 35 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ynn n PRO 36 N 2.16 0.00 -0.01 0.52 -0.04 -1.26 -0.57 135.00 135.81 1ynn n PRO 36 Ca 0.23 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 1ynn n PRO 36 Cb 0.04 -1.30 -0.14 0.00 -0.04 0.00 0.00 33.50 32.06 1ynn n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ynn n GLU 37 N -0.80 0.70 0.09 0.54 4.71 -1.26 -4.55 120.64 120.07 1ynn n GLU 37 Ca 0.00 0.27 -0.23 0.00 -0.01 0.00 0.00 57.16 57.19 1ynn n GLU 37 Cb 0.00 -1.74 -0.15 0.00 -1.01 0.00 0.00 31.44 28.54 1ynn n GLU 37 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1ynn h LYS 38 N 0.04 0.43 -2.36 3.49 1.57 -1.16 -3.47 116.57 115.11 1ynn h LYS 38 Ca -0.37 -0.73 -0.34 0.00 -1.87 0.00 0.00 60.65 57.34 1ynn h LYS 38 Cb 2.03 0.27 0.00 0.00 0.08 0.00 0.00 32.23 34.61 1ynn h LYS 38 CO 0.08 1.35 0.29 0.54 -0.57 0.00 0.00 179.45 181.15 1ynn n ARG 39 N -3.69 0.00 -3.60 3.15 1.74 -1.17 -4.87 116.66 108.21 1ynn n ARG 39 Ca -0.22 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.59 1ynn n ARG 39 Cb 1.06 -0.59 -0.10 0.00 -1.02 0.00 0.00 32.46 31.80 1ynn n ARG 39 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ynn n GLU 40 N 1.70 1.14 -1.30 5.56 4.71 -1.26 -5.07 120.64 126.12 1ynn n GLU 40 Ca 0.13 -3.87 0.15 0.00 -0.01 0.00 0.00 57.16 53.56 1ynn n GLU 40 Cb -0.02 -1.95 -0.06 0.00 -1.01 0.00 0.00 31.44 28.40 1ynn n GLU 40 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ynn n ASN 41 N 2.17 -7.24 -1.38 1.62 3.02 -1.26 -5.03 115.26 107.16 1ynn n ASN 41 Ca 0.25 0.87 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1ynn n ASN 41 Cb 0.42 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 1ynn n ASN 41 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ynn n VAL 42 N -3.92 -2.60 -1.46 2.41 0.31 -1.26 -4.71 118.33 107.10 1ynn n VAL 42 Ca -0.03 1.22 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 1ynn n VAL 42 Cb 0.65 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1ynn n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ynn n GLY 43 N -1.45 0.63 0.17 2.92 0.00 -1.26 -4.06 105.19 102.14 1ynn n GLY 43 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1ynn n GLY 43 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ynn h ILE 44 N 0.00 1.32 -0.73 -0.61 2.04 -1.15 -2.99 117.51 115.38 1ynn h ILE 44 Ca 0.00 -1.32 0.12 0.00 1.00 0.00 0.00 64.86 64.67 1ynn h ILE 44 Cb 0.00 1.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 1ynn h ILE 44 CO 0.00 0.41 0.30 1.56 0.00 0.00 0.00 178.15 180.42 1ynn h GLN 45 N 0.22 0.46 0.00 2.37 1.08 -1.81 -1.94 115.11 115.49 1ynn h GLN 45 Ca 0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ynn h GLN 45 Cb 0.72 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1ynn h GLN 45 CO 0.05 0.31 0.00 0.00 -0.95 0.00 0.00 178.83 178.23 1ynn n ALA 46 N -2.48 -0.37 -0.33 3.87 0.00 -1.17 -0.61 120.51 119.43 1ynn n ALA 46 Ca 0.13 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.85 1ynn n ALA 46 Cb 0.36 0.12 0.53 0.00 0.00 0.00 0.00 19.45 20.46 1ynn n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ynn h ALA 47 N -1.77 1.97 0.44 0.00 0.00 -1.38 0.91 119.26 119.43 1ynn h ALA 47 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ynn h ALA 47 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ynn h ALA 47 CO 0.00 -0.88 -0.21 0.74 0.00 0.00 0.00 179.25 178.90 1ynn h PHE 48 N 0.00 -0.55 -0.04 0.00 0.05 -0.99 -3.10 116.94 112.31 1ynn h PHE 48 Ca 0.80 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.59 1ynn h PHE 48 Cb 2.04 0.18 -0.00 0.00 2.00 0.00 0.00 35.95 40.17 1ynn h PHE 48 CO -0.11 -0.34 0.09 0.87 -0.18 0.00 0.00 178.31 178.64 1ynn h LYS 49 N -0.63 0.00 -0.34 1.51 1.57 0.17 -1.74 116.57 117.11 1ynn h LYS 49 Ca -0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1ynn h LYS 49 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1ynn h LYS 49 CO 0.10 0.00 -0.13 1.49 -0.57 0.00 0.00 179.45 180.34 1ynn h GLU 50 N 0.00 0.59 0.00 3.15 4.57 0.75 -3.33 114.58 120.31 1ynn h GLU 50 Ca 0.02 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1ynn h GLU 50 Cb 0.19 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1ynn h GLU 50 CO -0.00 0.71 -1.38 0.25 -1.18 0.00 0.00 179.01 177.40 1ynn n THR 51 N -4.18 0.00 0.03 0.32 -2.24 -0.70 -4.85 114.28 102.66 1ynn n THR 51 Ca 0.01 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 1ynn n THR 51 Cb 0.34 0.33 -0.14 0.00 -2.10 0.00 0.00 70.33 68.77 1ynn n THR 51 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ynn h PHE 52 N 0.00 0.52 -0.15 4.78 3.57 -1.57 -3.39 116.94 120.71 1ynn h PHE 52 Ca 0.00 -0.36 -0.03 0.00 3.53 0.00 0.00 57.97 61.12 1ynn h PHE 52 Cb 0.47 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1ynn h PHE 52 CO 0.00 1.25 0.28 -2.30 -2.23 0.00 0.00 178.31 175.31 1ynn n PRO 53 N -4.18 0.22 -3.25 6.41 -0.02 -1.26 -4.44 135.00 128.48 1ynn n PRO 53 Ca -0.13 -1.10 -0.45 0.00 -2.02 0.00 0.00 63.50 59.80 1ynn n PRO 53 Cb 0.76 -3.30 -0.01 0.00 -0.02 0.00 0.00 33.50 30.94 1ynn n PRO 53 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ynn s ILE 54 N 13.27 5.70 0.90 4.25 2.07 -1.09 -5.04 121.20 141.26 1ynn s ILE 54 Ca 0.80 -3.03 -0.12 0.00 -1.41 0.00 0.00 60.65 56.89 1ynn s ILE 54 Cb -0.13 -4.65 0.08 0.00 0.13 0.00 0.00 42.46 37.89 1ynn s ILE 54 CO 0.16 -1.26 0.83 -0.62 -1.91 0.00 0.00 174.94 172.15 1ynn n GLU 55 N 3.65 -0.24 -2.67 3.50 4.71 -1.26 -4.51 120.64 123.82 1ynn n GLU 55 Ca 0.24 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.16 57.17 1ynn n GLU 55 Cb 0.42 -2.15 0.03 0.00 -1.01 0.00 0.00 31.44 28.73 1ynn n GLU 55 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1ynn s GLU 56 N -4.04 2.58 -0.20 3.49 -1.05 -1.24 -4.99 118.70 113.25 1ynn s GLU 56 Ca 0.64 -0.78 -0.32 0.00 -0.15 0.00 0.00 54.97 54.36 1ynn s GLU 56 Cb -0.24 -2.50 -0.09 0.00 -0.44 0.00 0.00 34.13 30.86 1ynn s GLU 56 CO 0.60 -0.68 2.11 0.41 0.95 0.00 0.00 175.26 178.65 1ynn n GLY 57 N -2.31 1.05 1.78 -3.83 0.00 -1.26 -2.56 105.19 98.05 1ynn n GLY 57 Ca 0.08 0.85 -0.00 0.00 0.00 0.00 0.00 46.02 46.94 1ynn n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ynn n ASP 58 N 9.52 -3.36 -4.66 1.61 8.00 -1.26 -4.72 116.55 121.68 1ynn n ASP 58 Ca 0.31 0.29 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 1ynn n ASP 58 Cb 0.34 -1.98 -0.03 0.00 -0.02 0.00 0.00 41.12 39.43 1ynn n ASP 58 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1ynn s LYS 59 N -0.52 4.17 -1.24 -1.24 0.00 -1.06 -2.64 119.74 117.21 1ynn s LYS 59 Ca 0.01 2.35 -0.01 0.00 0.00 0.00 0.00 55.97 58.32 1ynn s LYS 59 Cb -0.00 -4.01 0.00 0.00 0.00 0.00 0.00 37.83 33.81 1ynn s LYS 59 CO 0.18 -0.87 0.08 0.41 0.00 0.00 0.00 175.35 175.14 1ynn n GLY 60 N 4.26 -0.23 1.00 0.59 0.00 -1.26 -4.90 105.19 104.64 1ynn n GLY 60 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ynn n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ynn n LYS 61 N -2.55 0.00 -0.32 1.61 4.76 -1.08 -4.76 118.16 115.82 1ynn n LYS 61 Ca -0.16 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.32 1ynn n LYS 61 Cb 0.63 -0.50 0.17 0.00 -1.84 0.00 0.00 35.03 33.48 1ynn n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ynn n GLY 62 N 3.02 1.58 7.00 0.72 0.00 -1.25 -4.98 105.19 111.28 1ynn n GLY 62 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ynn n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynn n GLY 63 N 0.56 -1.91 2.27 -0.02 0.00 -1.26 -4.88 105.19 99.95 1ynn n GLY 63 Ca 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ynn n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ynn n LEU 64 N 0.00 -6.16 0.01 0.99 4.77 -0.86 -4.61 117.00 111.14 1ynn n LEU 64 Ca 0.00 2.93 -0.00 0.00 -0.03 0.00 0.00 56.01 58.91 1ynn n LEU 64 Cb 0.00 -3.16 -0.00 0.00 -2.33 0.00 0.00 43.42 37.93 1ynn n LEU 64 CO 0.00 -2.53 -0.02 0.52 -1.33 0.00 0.00 177.39 174.03 1ynn n VAL 65 N 1.90 0.31 -1.44 4.08 0.31 -0.85 -3.71 118.33 118.93 1ynn n VAL 65 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1ynn n VAL 65 Cb 0.00 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1ynn n VAL 65 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ynn n LEU 66 N -2.77 -4.70 -3.90 7.52 7.94 -1.25 -4.00 117.00 115.84 1ynn n LEU 66 Ca -0.00 2.12 -0.09 0.00 -1.11 0.00 0.00 56.01 56.93 1ynn n LEU 66 Cb 0.01 -2.22 -0.08 0.00 0.53 0.00 0.00 43.42 41.67 1ynn n LEU 66 CO 0.01 -0.96 -0.15 -0.62 -1.11 0.00 0.00 177.39 174.56 1ynn s ASP 67 N -0.66 0.16 0.40 1.96 3.68 -0.89 -2.68 116.67 118.64 1ynn s ASP 67 Ca 0.00 -0.60 -0.25 0.00 2.13 0.00 0.00 52.55 53.83 1ynn s ASP 67 Cb 0.00 0.29 -0.08 0.00 -1.45 0.00 0.00 42.92 41.68 1ynn s ASP 67 CO 0.00 -0.63 1.14 0.12 0.13 0.00 0.00 175.17 175.93 1ynn s PHE 68 N -3.32 3.10 0.02 -5.34 5.36 -1.26 -2.86 117.98 113.69 1ynn s PHE 68 Ca 0.01 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1ynn s PHE 68 Cb 0.03 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 1ynn s PHE 68 CO -0.08 -1.15 0.00 1.28 -1.46 0.00 0.00 175.22 173.81 1ynn n LEU 69 N -0.01 0.08 -3.56 6.12 4.77 -0.92 -4.92 117.00 118.56 1ynn n LEU 69 Ca 0.05 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1ynn n LEU 69 Cb 0.47 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1ynn n LEU 69 CO 0.49 -0.28 0.69 -1.83 -1.33 0.00 0.00 177.39 175.13 1ynn s GLU 70 N -2.00 0.91 0.10 3.23 -1.05 -1.19 -5.02 118.70 113.69 1ynn s GLU 70 Ca 0.00 -0.39 0.10 0.00 -0.15 0.00 0.00 54.97 54.53 1ynn s GLU 70 Cb 0.00 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1ynn s GLU 70 CO 0.00 -0.41 -0.26 1.52 0.95 0.00 0.00 175.26 177.07 1ynn s TYR 71 N -3.17 2.20 -0.10 4.83 -0.85 -1.26 -0.30 117.35 118.70 1ynn s TYR 71 Ca 0.07 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.25 1ynn s TYR 71 Cb -0.01 -1.23 0.01 0.00 0.38 0.00 0.00 41.96 41.11 1ynn s TYR 71 CO -0.07 0.26 -0.17 0.50 -1.52 0.00 0.00 175.55 174.55 1ynn s ARG 72 N -1.82 2.39 0.15 -3.49 3.52 0.12 -4.98 118.95 114.84 1ynn s ARG 72 Ca 0.12 -0.64 -0.25 0.00 -0.13 0.00 0.00 55.73 54.83 1ynn s ARG 72 Cb -0.10 -1.95 -0.08 0.00 -1.56 0.00 0.00 34.95 31.26 1ynn s ARG 72 CO 0.05 0.01 0.77 0.42 -0.81 0.00 0.00 175.30 175.74 1ynn s ILE 73 N 0.78 4.43 0.00 4.11 1.09 -1.26 -2.04 121.20 128.30 1ynn s ILE 73 Ca -0.11 1.69 0.00 0.00 -1.10 0.00 0.00 60.65 61.13 1ynn s ILE 73 Cb -0.16 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.11 1ynn s ILE 73 CO 0.01 0.50 0.00 0.61 -0.10 0.00 0.00 174.94 175.96 1ynn n GLY 74 N 1.72 0.36 3.30 6.18 0.00 -0.20 -4.99 105.19 111.55 1ynn n GLY 74 Ca -0.05 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 1ynn n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ynn s ASP 75 N -1.00 3.68 0.18 1.61 -0.00 -1.26 -4.86 116.67 115.02 1ynn s ASP 75 Ca 0.00 -0.43 -0.32 0.00 -0.00 0.00 0.00 52.55 51.80 1ynn s ASP 75 Cb 0.00 -1.55 -0.11 0.00 -0.00 0.00 0.00 42.92 41.26 1ynn s ASP 75 CO 0.00 0.13 1.76 -2.84 -0.00 0.00 0.00 175.17 174.23 1ynn s PRO 76 N 0.54 4.13 0.56 8.23 0.02 -1.26 -4.70 135.00 142.52 1ynn s PRO 76 Ca -0.10 2.61 0.26 0.00 0.02 0.00 0.00 61.00 63.78 1ynn s PRO 76 Cb -0.16 -3.27 1.51 0.00 0.02 0.00 0.00 34.50 32.60 1ynn s PRO 76 CO 0.04 -0.79 2.05 -1.35 -0.33 0.00 0.00 177.00 176.62 1ynn h PRO 77 N 7.48 0.00 -4.49 5.54 0.11 -1.99 -3.44 132.00 135.21 1ynn h PRO 77 Ca -0.44 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.42 1ynn h PRO 77 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 1ynn h PRO 77 CO 0.95 0.00 -0.72 -0.06 -0.21 0.00 0.00 178.00 177.96 1ynn s PHE 78 N -4.81 0.64 0.74 0.65 0.40 -1.26 -5.15 117.98 109.19 1ynn s PHE 78 Ca -0.05 -0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 55.56 1ynn s PHE 78 Cb 0.17 -0.39 0.04 0.00 0.51 0.00 0.00 43.02 43.35 1ynn s PHE 78 CO 0.62 -0.12 1.19 -1.54 0.70 0.00 0.00 175.22 176.08 1ynn s SER 79 N -1.82 4.18 0.41 1.36 1.04 -1.26 -4.78 113.70 112.84 1ynn s SER 79 Ca -0.07 2.29 0.16 0.00 0.48 0.00 0.00 55.95 58.81 1ynn s SER 79 Cb -0.07 -2.58 1.04 0.00 0.10 0.00 0.00 66.02 64.51 1ynn s SER 79 CO -0.01 -2.27 1.88 1.56 0.98 0.00 0.00 173.24 175.38 1ynn h GLN 80 N -0.42 0.43 0.19 4.02 4.20 -2.00 -0.66 115.11 120.87 1ynn h GLN 80 Ca -0.47 -0.03 -0.34 0.00 0.06 0.00 0.00 58.65 57.87 1ynn h GLN 80 Cb 1.29 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.98 1ynn h GLN 80 CO 0.49 0.29 -1.69 -0.44 -0.67 0.00 0.00 178.83 176.81 1ynn h ASP 81 N 0.44 0.62 -0.99 1.46 5.19 -2.00 -3.30 116.42 117.83 1ynn h ASP 81 Ca 0.43 -0.93 0.21 0.00 -0.62 0.00 0.00 57.03 56.12 1ynn h ASP 81 Cb 1.00 -0.20 -0.10 0.00 0.18 0.00 0.00 39.33 40.21 1ynn h ASP 81 CO -0.16 1.77 0.62 -0.33 -3.12 0.00 0.00 179.24 178.02 1ynn h GLU 82 N 0.06 0.60 -0.35 3.56 5.08 -1.70 0.16 114.58 122.00 1ynn h GLU 82 Ca -0.33 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 1ynn h GLU 82 Cb 2.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1ynn h GLU 82 CO 0.17 0.40 -0.09 0.00 -1.00 0.00 0.00 179.01 178.49 1ynn h ARG 84 N 0.46 0.72 -0.47 0.00 3.08 -1.21 0.25 114.38 117.21 1ynn h ARG 84 Ca 0.09 -0.42 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 1ynn h ARG 84 Cb 0.60 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1ynn h ARG 84 CO 0.04 1.04 0.08 1.49 -1.07 0.00 0.00 179.97 181.55 1ynn h GLU 85 N 0.57 0.77 -0.57 0.04 4.81 -1.03 -3.24 114.58 115.93 1ynn h GLU 85 Ca 0.03 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 1ynn h GLU 85 Cb 1.04 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.27 1ynn h GLU 85 CO 0.10 0.78 0.10 1.63 -0.73 0.00 0.00 179.01 180.89 1ynn n LYS 86 N -4.45 3.96 -3.53 1.92 5.02 -0.80 -4.99 118.16 115.28 1ynn n LYS 86 Ca 0.01 -3.09 -0.30 0.00 -2.02 0.00 0.00 58.31 52.91 1ynn n LYS 86 Cb 0.24 -2.16 0.02 0.00 -0.02 0.00 0.00 35.03 33.12 1ynn n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ynn n ASP 87 N 0.03 -5.59 -4.15 4.39 8.00 -0.87 -4.73 116.55 113.64 1ynn n ASP 87 Ca 0.32 -0.37 -0.15 0.00 0.71 0.00 0.00 54.79 55.30 1ynn n ASP 87 Cb 1.21 -2.13 -0.11 0.00 -0.02 0.00 0.00 41.12 40.07 1ynn n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ynn s LEU 88 N -3.39 2.32 -0.21 0.64 1.43 0.84 -4.37 118.68 115.94 1ynn s LEU 88 Ca 0.23 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 1ynn s LEU 88 Cb -0.03 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 1ynn s LEU 88 CO 0.87 -0.18 0.88 -0.89 0.23 0.00 0.00 176.35 177.26 1ynn s THR 89 N -1.78 4.81 -0.72 5.49 2.01 -1.26 -2.45 115.64 121.74 1ynn s THR 89 Ca -0.01 1.71 -0.26 0.00 0.31 0.00 0.00 61.69 63.44 1ynn s THR 89 Cb -0.07 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 1ynn s THR 89 CO 0.01 -0.07 2.13 -0.47 -0.69 0.00 0.00 174.62 175.54 1ynn s TYR 90 N 2.71 1.45 0.51 4.92 5.04 -0.93 -4.89 117.35 126.16 1ynn s TYR 90 Ca 0.38 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 56.22 1ynn s TYR 90 Cb -0.16 -3.81 -0.01 0.00 0.35 0.00 0.00 41.96 38.33 1ynn s TYR 90 CO 0.09 -2.00 0.01 -0.65 -1.34 0.00 0.00 175.55 171.66 1ynn s GLN 91 N 7.74 2.20 -0.11 4.97 -0.21 -1.26 -2.71 119.66 130.28 1ynn s GLN 91 Ca 0.80 -2.41 -0.15 0.00 0.02 0.00 0.00 55.36 53.63 1ynn s GLN 91 Cb -0.12 -1.47 0.03 0.00 1.00 0.00 0.00 33.01 32.46 1ynn s GLN 91 CO 0.12 -0.39 0.38 0.00 -2.12 0.00 0.00 175.29 173.28 1ynn s ALA 92 N -2.91 -0.94 -0.20 6.09 0.00 -0.34 -4.11 121.76 119.35 1ynn s ALA 92 Ca 0.05 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1ynn s ALA 92 Cb 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1ynn s ALA 92 CO 0.03 -0.21 1.35 -1.25 0.00 0.00 0.00 175.76 175.67 1ynn s PRO 93 N -0.27 4.08 -0.55 0.00 0.04 -1.26 -0.73 135.00 136.32 1ynn s PRO 93 Ca -0.04 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 1ynn s PRO 93 Cb -0.03 -3.85 0.11 0.00 0.04 0.00 0.00 34.50 30.76 1ynn s PRO 93 CO 0.02 -0.91 0.58 -1.17 0.04 0.00 0.00 177.00 175.56 1ynn s LEU 94 N 4.00 5.69 0.15 -3.56 2.96 -0.90 -1.04 118.68 125.99 1ynn s LEU 94 Ca 0.59 -1.51 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 1ynn s LEU 94 Cb -0.22 -2.27 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 1ynn s LEU 94 CO 0.20 -0.94 0.53 -0.31 -1.32 0.00 0.00 176.35 174.52 1ynn s TYR 95 N 2.13 3.58 -0.07 5.38 1.51 -0.87 -1.53 117.35 127.47 1ynn s TYR 95 Ca 0.08 1.00 0.05 0.00 -1.01 0.00 0.00 57.07 57.19 1ynn s TYR 95 Cb -0.26 -2.33 -0.01 0.00 -0.11 0.00 0.00 41.96 39.25 1ynn s TYR 95 CO 0.06 0.41 -0.24 0.00 -1.11 0.00 0.00 175.55 174.67 1ynn s ALA 96 N -1.51 2.21 -0.26 3.71 0.00 0.33 -0.71 121.76 125.54 1ynn s ALA 96 Ca 0.39 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 1ynn s ALA 96 Cb -0.14 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1ynn s ALA 96 CO 0.19 0.38 0.65 1.03 0.00 0.00 0.00 175.76 178.01 1ynn s ARG 97 N -0.01 4.09 0.05 0.00 0.52 0.60 -0.56 118.95 123.64 1ynn s ARG 97 Ca -0.08 0.56 0.04 0.00 -0.52 0.00 0.00 55.73 55.73 1ynn s ARG 97 Cb -0.15 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 1ynn s ARG 97 CO 0.05 -0.45 -0.12 -0.51 0.02 0.00 0.00 175.30 174.30 1ynn s LEU 98 N 2.56 2.24 -0.09 2.53 1.43 -1.26 -2.17 118.68 123.92 1ynn s LEU 98 Ca 0.27 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1ynn s LEU 98 Cb -0.15 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 1ynn s LEU 98 CO 0.09 -0.08 -0.13 0.00 0.23 0.00 0.00 176.35 176.45 1ynn s GLN 99 N -1.52 3.00 -0.07 1.70 -2.07 -1.13 -2.26 119.66 117.31 1ynn s GLN 99 Ca -0.03 -0.68 -0.11 0.00 -1.82 0.00 0.00 55.36 52.72 1ynn s GLN 99 Cb -0.09 -2.53 -0.05 0.00 -1.09 0.00 0.00 33.01 29.25 1ynn s GLN 99 CO 0.01 0.40 0.26 -1.17 -1.32 0.00 0.00 175.29 173.47 1ynn s LEU 100 N -0.14 4.42 0.09 2.60 0.20 0.41 -2.09 118.68 124.17 1ynn s LEU 100 Ca -0.01 0.68 0.10 0.00 0.69 0.00 0.00 54.13 55.59 1ynn s LEU 100 Cb -0.14 -2.30 -0.03 0.00 -0.43 0.00 0.00 46.19 43.29 1ynn s LEU 100 CO 0.03 0.36 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.57 1ynn s ILE 101 N -0.98 2.09 0.57 6.68 -1.09 -1.26 -3.39 121.20 123.81 1ynn s ILE 101 Ca 0.19 -1.57 0.08 0.00 -2.23 0.00 0.00 60.65 57.11 1ynn s ILE 101 Cb -0.14 -1.83 0.08 0.00 -1.58 0.00 0.00 42.46 38.98 1ynn s ILE 101 CO 0.08 0.15 0.63 1.41 -1.23 0.00 0.00 174.94 175.99 1ynn n HIS 102 N 1.27 -1.53 0.11 3.97 8.25 -1.26 -2.00 115.22 124.02 1ynn n HIS 102 Ca -0.18 -2.22 -0.01 0.00 -0.26 0.00 0.00 57.72 55.05 1ynn n HIS 102 Cb 0.53 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 1ynn n HIS 102 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1ynn h LYS 103 N 0.00 0.00 -0.44 -0.41 2.10 -1.89 -3.22 116.57 112.70 1ynn h LYS 103 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1ynn h LYS 103 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1ynn h LYS 103 CO 0.46 0.67 0.00 -0.40 -2.00 0.00 0.00 179.45 178.18 1ynn n ASP 104 N -3.29 3.34 -1.17 7.07 5.75 -1.26 -5.04 116.55 121.95 1ynn n ASP 104 Ca 0.01 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1ynn n ASP 104 Cb 0.79 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1ynn n ASP 104 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1ynn n THR 105 N 1.39 -6.12 -4.97 2.12 -1.04 -1.22 -5.10 114.28 99.35 1ynn n THR 105 Ca 0.20 1.20 -0.27 0.00 -2.04 0.00 0.00 64.05 63.14 1ynn n THR 105 Cb 0.57 -3.49 -0.15 0.00 -1.82 0.00 0.00 70.33 65.44 1ynn n THR 105 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ynn s GLY 106 N -0.19 1.05 -0.44 3.41 0.00 -1.26 -4.71 107.32 105.18 1ynn s GLY 106 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1ynn s GLY 106 CO 0.00 -0.80 1.71 1.04 0.00 0.00 0.00 173.10 175.05 1ynn n LEU 107 N 2.43 5.93 -4.56 0.66 4.77 -1.26 -4.23 117.00 120.74 1ynn n LEU 107 Ca -0.16 -4.00 -0.25 0.00 -0.03 0.00 0.00 56.01 51.57 1ynn n LEU 107 Cb 0.53 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1ynn n LEU 107 CO 0.23 1.38 1.35 -0.63 -1.33 0.00 0.00 177.39 178.39 1ynn s ILE 108 N -3.86 3.36 -1.11 -0.08 1.01 -1.22 -4.82 121.20 114.48 1ynn s ILE 108 Ca 0.54 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 1ynn s ILE 108 Cb 0.46 -3.83 0.28 0.00 0.01 0.00 0.00 42.46 39.38 1ynn s ILE 108 CO 0.03 -0.78 1.77 1.17 0.00 0.00 0.00 174.94 177.13 1ynn n LYS 109 N 8.87 4.78 -1.58 2.79 4.81 -1.26 -0.45 118.16 136.12 1ynn n LYS 109 Ca 0.40 -4.36 -0.56 0.00 -0.87 0.00 0.00 58.31 52.92 1ynn n LYS 109 Cb 0.47 -2.55 -0.07 0.00 0.02 0.00 0.00 35.03 32.89 1ynn n LYS 109 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ynn n GLU 110 N 1.11 0.68 -1.28 1.64 0.00 -0.96 -4.67 120.64 117.17 1ynn n GLU 110 Ca 0.40 0.25 -0.20 0.00 0.00 0.00 0.00 57.16 57.61 1ynn n GLU 110 Cb 0.30 -1.84 -0.11 0.00 0.00 0.00 0.00 31.44 29.79 1ynn n GLU 110 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ynn n ASP 111 N 2.57 0.95 -1.41 4.31 8.00 -1.26 -4.01 116.55 125.70 1ynn n ASP 111 Ca 0.21 -2.37 0.13 0.00 0.71 0.00 0.00 54.79 53.47 1ynn n ASP 111 Cb 0.13 -1.33 -0.07 0.00 -0.02 0.00 0.00 41.12 39.82 1ynn n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ynn n GLU 112 N 7.74 -3.22 -4.03 -1.24 1.02 -1.26 -4.99 120.64 114.66 1ynn n GLU 112 Ca 0.38 2.61 -0.15 0.00 -0.02 0.00 0.00 57.16 59.99 1ynn n GLU 112 Cb 0.46 -3.69 -0.15 0.00 -0.02 0.00 0.00 31.44 28.04 1ynn n GLU 112 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ynn s VAL 113 N -4.58 0.24 0.09 2.62 1.01 0.27 -4.86 120.40 115.19 1ynn s VAL 113 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1ynn s VAL 113 Cb 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 1ynn s VAL 113 CO 0.00 0.09 1.75 0.12 0.00 0.00 0.00 175.10 177.06 1ynn s PHE 114 N 0.17 2.22 -0.58 5.22 5.36 -1.26 -0.51 117.98 128.58 1ynn s PHE 114 Ca -0.01 0.11 0.10 0.00 -0.96 0.00 0.00 56.93 56.17 1ynn s PHE 114 Cb -0.04 -4.08 -0.09 0.00 -0.34 0.00 0.00 43.02 38.48 1ynn s PHE 114 CO -0.00 -4.42 0.48 1.28 -1.46 0.00 0.00 175.22 171.09 1ynn n LEU 115 N 5.79 0.64 0.00 6.12 4.77 -0.58 -4.43 117.00 129.31 1ynn n LEU 115 Ca 0.17 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1ynn n LEU 115 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ynn n LEU 115 CO 0.64 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1ynn n GLY 116 N 1.17 2.20 3.83 -0.72 0.00 -1.24 -4.01 105.19 106.41 1ynn n GLY 116 Ca 0.02 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 1ynn n GLY 116 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ynn s HIS 117 N -1.60 3.56 -0.18 1.61 3.76 -1.26 -2.11 115.29 119.08 1ynn s HIS 117 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1ynn s HIS 117 Cb 0.00 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.62 1ynn s HIS 117 CO 0.00 0.58 -0.17 -1.17 -0.85 0.00 0.00 174.74 173.13 1ynn s LEU 118 N -0.58 2.31 0.49 0.89 2.96 0.09 -4.80 118.68 120.04 1ynn s LEU 118 Ca 0.15 -0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 53.27 1ynn s LEU 118 Cb -0.13 -1.53 -0.07 0.00 0.50 0.00 0.00 46.19 44.96 1ynn s LEU 118 CO 0.04 0.01 1.12 -2.84 -1.32 0.00 0.00 176.35 173.37 1ynn s PRO 119 N 1.23 3.63 0.15 0.98 0.02 -1.26 -1.20 135.00 138.55 1ynn s PRO 119 Ca 0.03 1.63 -0.02 0.00 0.02 0.00 0.00 61.00 62.65 1ynn s PRO 119 Cb -0.14 -2.21 -0.03 0.00 0.02 0.00 0.00 34.50 32.14 1ynn s PRO 119 CO -0.09 -0.62 0.11 -0.48 -0.33 0.00 0.00 177.00 175.59 1ynn s LEU 120 N -3.37 1.53 0.37 -5.54 2.34 -1.10 -4.94 118.68 107.97 1ynn s LEU 120 Ca 0.67 -1.18 -0.09 0.00 0.06 0.00 0.00 54.13 53.60 1ynn s LEU 120 Cb -0.24 0.47 -0.06 0.00 -0.56 0.00 0.00 46.19 45.80 1ynn s LEU 120 CO 0.29 -0.78 0.71 -0.32 -1.06 0.00 0.00 176.35 175.19 1ynn s MET 121 N -4.05 3.73 1.19 1.48 1.75 -1.26 -4.62 119.30 117.51 1ynn s MET 121 Ca 0.25 0.32 -0.19 0.00 -1.25 0.00 0.00 55.69 54.83 1ynn s MET 121 Cb 0.07 -2.47 0.28 0.00 2.84 0.00 0.00 34.83 35.55 1ynn s MET 121 CO 0.03 0.03 1.11 0.99 -0.65 0.00 0.00 175.02 176.53 1ynn s THR 122 N -2.29 1.63 0.27 10.11 2.01 0.04 -4.94 115.64 122.47 1ynn s THR 122 Ca 0.49 0.00 0.15 0.00 0.31 0.00 0.00 61.69 62.63 1ynn s THR 122 Cb -0.10 -2.48 0.07 0.00 0.01 0.00 0.00 72.50 70.00 1ynn s THR 122 CO 0.31 0.00 1.73 -0.08 -0.69 0.00 0.00 174.62 175.89 1ynn h GLU 123 N -2.54 0.00 -0.40 4.92 4.81 -1.99 -3.33 114.58 116.06 1ynn h GLU 123 Ca -0.46 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1ynn h GLU 123 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1ynn h GLU 123 CO 0.36 0.45 0.12 0.22 -0.73 0.00 0.00 179.01 179.43 1ynn h ASP 124 N 0.00 0.59 0.00 1.04 3.58 -1.94 -3.47 116.42 116.21 1ynn h ASP 124 Ca -0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1ynn h ASP 124 Cb 0.88 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1ynn h ASP 124 CO 0.06 0.64 0.00 0.61 -2.88 0.00 0.00 179.24 177.67 1ynn n GLY 125 N -0.64 1.05 3.95 -0.78 0.00 -1.25 -4.98 105.19 102.54 1ynn n GLY 125 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1ynn n GLY 125 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ynn s SER 126 N -0.69 5.44 0.31 1.61 1.04 -1.26 -4.78 113.70 115.37 1ynn s SER 126 Ca 0.00 -0.53 0.09 0.00 0.48 0.00 0.00 55.95 55.99 1ynn s SER 126 Cb 0.00 -0.67 -0.05 0.00 0.10 0.00 0.00 66.02 65.41 1ynn s SER 126 CO 0.00 -0.69 0.01 -0.36 0.98 0.00 0.00 173.24 173.18 1ynn s PHE 127 N -2.38 2.60 -0.20 5.02 0.40 -0.12 -0.78 117.98 122.52 1ynn s PHE 127 Ca 0.52 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1ynn s PHE 127 Cb -0.07 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.13 1ynn s PHE 127 CO 0.31 0.53 -0.17 0.42 0.70 0.00 0.00 175.22 177.01 1ynn s ILE 128 N -2.43 2.12 -0.31 0.64 1.01 -1.26 -0.06 121.20 120.90 1ynn s ILE 128 Ca 0.34 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1ynn s ILE 128 Cb -0.03 -1.98 0.10 0.00 0.01 0.00 0.00 42.46 40.55 1ynn s ILE 128 CO 0.20 0.39 0.07 -0.63 0.00 0.00 0.00 174.94 174.97 1ynn s ILE 129 N 1.25 1.33 -1.03 2.92 -1.09 -1.10 -2.19 121.20 121.29 1ynn s ILE 129 Ca 0.01 -1.65 -0.10 0.00 -2.23 0.00 0.00 60.65 56.68 1ynn s ILE 129 Cb -0.15 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 1ynn s ILE 129 CO -0.11 -0.60 0.83 0.59 -1.23 0.00 0.00 174.94 174.42 1ynn n ASN 130 N 4.66 -6.29 -0.10 3.58 3.02 -1.03 -4.54 115.26 114.56 1ynn n ASN 130 Ca -0.01 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1ynn n ASN 130 Cb 0.42 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.16 1ynn n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ynn n GLY 131 N -1.49 -0.81 1.80 7.41 0.00 -1.05 -4.48 105.19 106.58 1ynn n GLY 131 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1ynn n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynn n ALA 132 N 1.48 -1.57 -1.80 4.61 0.00 -1.26 -4.80 120.51 117.18 1ynn n ALA 132 Ca 0.00 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 1ynn n ALA 132 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1ynn n ALA 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ynn s ASP 133 N -1.05 6.32 0.05 0.00 1.01 -1.26 -2.71 116.67 119.02 1ynn s ASP 133 Ca 0.00 1.94 0.00 0.00 0.71 0.00 0.00 52.55 55.20 1ynn s ASP 133 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1ynn s ASP 133 CO 0.00 -0.79 -0.04 -0.13 0.21 0.00 0.00 175.17 174.42 1ynn s ARG 134 N -3.21 0.55 -0.12 8.23 0.52 0.91 -3.97 118.95 121.86 1ynn s ARG 134 Ca 0.67 -1.02 0.01 0.00 -0.52 0.00 0.00 55.73 54.88 1ynn s ARG 134 Cb -0.17 0.06 0.02 0.00 0.52 0.00 0.00 34.95 35.39 1ynn s ARG 134 CO 0.20 -0.06 -0.14 0.08 0.02 0.00 0.00 175.30 175.41 1ynn s VAL 135 N -2.91 1.43 -0.54 3.52 1.01 -0.83 -0.94 120.40 121.13 1ynn s VAL 135 Ca -0.01 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 1ynn s VAL 135 Cb 0.01 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 35.09 1ynn s VAL 135 CO -0.06 0.43 0.91 -0.63 0.00 0.00 0.00 175.10 175.75 1ynn s ILE 136 N 1.25 4.45 0.06 2.22 -1.09 -1.26 -1.11 121.20 125.72 1ynn s ILE 136 Ca -0.01 0.24 -0.25 0.00 -2.23 0.00 0.00 60.65 58.39 1ynn s ILE 136 Cb -0.14 -4.50 -0.06 0.00 -1.58 0.00 0.00 42.46 36.18 1ynn s ILE 136 CO -0.05 -1.06 0.78 -0.69 -1.23 0.00 0.00 174.94 172.69 1ynn s VAL 137 N 3.79 4.67 0.05 2.92 1.01 -0.68 -4.75 120.40 127.40 1ynn s VAL 137 Ca 0.29 1.67 -0.27 0.00 0.00 0.00 0.00 61.98 63.67 1ynn s VAL 137 Cb -0.13 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1ynn s VAL 137 CO 0.19 0.38 0.85 -0.94 0.00 0.00 0.00 175.10 175.58 1ynn s SER 138 N -0.18 7.30 0.06 3.32 1.04 -1.17 -4.88 113.70 119.19 1ynn s SER 138 Ca 0.39 1.56 0.03 0.00 0.48 0.00 0.00 55.95 58.41 1ynn s SER 138 Cb -0.21 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 1ynn s SER 138 CO 0.24 -0.07 0.04 0.00 0.98 0.00 0.00 173.24 174.43 1ynn s GLN 139 N 0.23 2.77 -0.07 4.02 -2.07 -1.10 -1.36 119.66 122.08 1ynn s GLN 139 Ca 0.43 -0.71 0.01 0.00 -1.82 0.00 0.00 55.36 53.27 1ynn s GLN 139 Cb -0.21 -2.66 -0.03 0.00 -1.09 0.00 0.00 33.01 29.02 1ynn s GLN 139 CO 0.25 0.57 -0.08 0.96 -1.32 0.00 0.00 175.29 175.67 1ynn s ILE 140 N -1.29 3.57 0.21 3.63 -4.36 0.43 -0.64 121.20 122.76 1ynn s ILE 140 Ca 0.26 -0.53 -0.11 0.00 -0.26 0.00 0.00 60.65 60.01 1ynn s ILE 140 Cb -0.12 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.14 1ynn s ILE 140 CO 0.18 0.60 0.39 -1.38 0.24 0.00 0.00 174.94 174.96 1ynn s HIS 141 N -0.77 0.38 0.26 1.37 -3.43 -1.10 -4.64 115.29 107.37 1ynn s HIS 141 Ca 0.12 -0.73 -0.30 0.00 -0.80 0.00 0.00 55.06 53.34 1ynn s HIS 141 Cb -0.11 0.07 -0.13 0.00 -1.43 0.00 0.00 32.58 30.97 1ynn s HIS 141 CO 0.01 -0.86 1.36 -2.13 -2.00 0.00 0.00 174.74 171.12 1ynn n ARG 142 N -0.31 1.98 -2.79 -0.38 0.63 -1.26 -1.86 116.66 112.67 1ynn n ARG 142 Ca -0.04 0.70 -0.41 0.00 -0.92 0.00 0.00 57.85 57.18 1ynn n ARG 142 Cb 0.63 -2.33 -0.04 0.00 0.45 0.00 0.00 32.46 31.17 1ynn n ARG 142 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ynn s SER 143 N 0.12 7.35 0.18 6.15 0.15 -0.14 -4.78 113.70 122.73 1ynn s SER 143 Ca 0.65 1.62 -0.31 0.00 0.70 0.00 0.00 55.95 58.61 1ynn s SER 143 Cb -0.64 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 60.96 1ynn s SER 143 CO 0.53 -0.14 0.91 -0.81 1.20 0.00 0.00 173.24 174.92 1ynn n PRO 144 N 3.37 0.63 -3.56 5.44 -0.04 -1.26 -4.88 135.00 134.70 1ynn n PRO 144 Ca 0.03 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1ynn n PRO 144 Cb 0.50 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1ynn n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ynn n GLY 145 N 1.79 -0.60 3.46 0.55 0.00 0.96 -4.02 105.19 107.32 1ynn n GLY 145 Ca 0.16 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1ynn n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ynn s VAL 146 N -2.96 2.77 0.17 1.61 1.01 -1.26 -1.38 120.40 120.36 1ynn s VAL 146 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1ynn s VAL 146 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1ynn s VAL 146 CO 0.00 0.31 0.00 -1.22 0.00 0.00 0.00 175.10 174.19 1ynn n TYR 147 N 1.47 -1.27 0.00 5.22 0.53 -0.82 -4.87 117.16 117.42 1ynn n TYR 147 Ca -0.16 0.22 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 1ynn n TYR 147 Cb 0.52 0.37 0.00 0.00 -1.03 0.00 0.00 39.34 39.20 1ynn n TYR 147 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1ynn n PHE 148 N -3.30 0.00 -0.55 -0.72 0.99 -1.26 -3.99 117.46 108.63 1ynn n PHE 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1ynn n PHE 148 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.53 1ynn n PHE 148 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1ynn n THR 149 N 0.00 -1.33 -3.02 4.37 -1.04 -1.26 -3.86 114.28 108.15 1ynn n THR 149 Ca 0.00 0.58 -0.34 0.00 -2.04 0.00 0.00 64.05 62.25 1ynn n THR 149 Cb 0.00 -0.92 -0.06 0.00 -1.82 0.00 0.00 70.33 67.53 1ynn n THR 149 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ynn s PRO 150 N -4.63 4.17 -0.34 -2.82 0.04 -1.26 -2.36 135.00 127.80 1ynn s PRO 150 Ca 0.00 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 1ynn s PRO 150 Cb 0.00 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 1ynn s PRO 150 CO 0.00 0.18 1.51 0.34 0.04 0.00 0.00 177.00 179.07 1ynn s ASP 151 N -2.04 6.32 0.15 6.66 -1.08 0.98 -4.74 116.67 122.91 1ynn s ASP 151 Ca 0.53 1.14 -0.01 0.00 -0.52 0.00 0.00 52.55 53.69 1ynn s ASP 151 Cb -0.12 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 1ynn s ASP 151 CO 0.18 -1.39 1.35 1.55 0.52 0.00 0.00 175.17 177.38 1ynn h PRO 152 N 10.88 0.33 -0.01 4.34 0.13 -1.95 -3.02 132.00 142.70 1ynn h PRO 152 Ca -0.30 -0.34 -0.14 0.00 -0.87 0.00 0.00 66.00 64.34 1ynn h PRO 152 Cb 1.13 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1ynn h PRO 152 CO 1.05 1.03 -0.67 0.00 -0.23 0.00 0.00 178.00 179.18 1ynn h ALA 153 N 0.85 0.87 -3.60 -0.56 0.00 -2.00 -3.41 119.26 111.41 1ynn h ALA 153 Ca -0.06 -0.60 -0.66 0.00 0.00 0.00 0.00 54.91 53.59 1ynn h ALA 153 Cb 1.51 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.81 1ynn h ALA 153 CO 0.15 0.81 -0.69 1.03 0.00 0.00 0.00 179.25 180.55 1ynn s ARG 154 N -3.54 1.58 0.09 0.00 0.52 -1.14 -5.09 118.95 111.37 1ynn s ARG 154 Ca -0.02 -1.91 -0.34 0.00 -0.52 0.00 0.00 55.73 52.93 1ynn s ARG 154 Cb 0.12 -3.26 -0.14 0.00 0.52 0.00 0.00 34.95 32.19 1ynn s ARG 154 CO 0.78 -0.97 1.61 -2.30 0.02 0.00 0.00 175.30 174.45 1ynn n PRO 155 N 4.23 2.00 -2.96 3.54 -0.02 -1.25 -2.58 135.00 137.95 1ynn n PRO 155 Ca 0.03 0.72 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1ynn n PRO 155 Cb 0.41 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1ynn n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ynn n GLY 156 N 3.52 0.27 3.25 -1.23 0.00 -1.26 -5.05 105.19 104.69 1ynn n GLY 156 Ca 0.19 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1ynn n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ynn s ARG 157 N -5.55 1.46 -0.04 1.61 1.81 -1.06 -5.04 118.95 112.14 1ynn s ARG 157 Ca 0.26 -1.79 -0.02 0.00 -1.72 0.00 0.00 55.73 52.46 1ynn s ARG 157 Cb -0.11 0.30 0.02 0.00 -0.45 0.00 0.00 34.95 34.71 1ynn s ARG 157 CO 0.32 -0.51 0.09 0.71 -0.68 0.00 0.00 175.30 175.22 1ynn s TYR 158 N -3.83 -0.08 0.43 -0.53 1.51 -1.26 -0.01 117.35 113.58 1ynn s TYR 158 Ca 0.39 0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.79 1ynn s TYR 158 Cb 0.05 -0.08 0.01 0.00 -0.11 0.00 0.00 41.96 41.82 1ynn s TYR 158 CO 0.19 -0.10 0.60 0.96 -1.11 0.00 0.00 175.55 176.09 1ynn s ILE 159 N 0.72 3.29 -0.18 2.71 -5.25 -0.99 -4.24 121.20 117.26 1ynn s ILE 159 Ca -0.06 -0.87 -0.02 0.00 -0.99 0.00 0.00 60.65 58.72 1ynn s ILE 159 Cb -0.08 -3.15 0.05 0.00 2.95 0.00 0.00 42.46 42.24 1ynn s ILE 159 CO -0.03 -0.07 0.00 0.00 -1.79 0.00 0.00 174.94 173.05 1ynn s ALA 160 N -2.43 1.16 -0.21 2.27 0.00 0.25 -4.01 121.76 118.80 1ynn s ALA 160 Ca 0.52 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 1ynn s ALA 160 Cb -0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1ynn s ALA 160 CO 0.34 -1.00 0.24 -1.12 0.00 0.00 0.00 175.76 174.22 1ynn s SER 161 N 1.78 6.26 -0.26 0.00 0.01 -1.26 -1.26 113.70 118.98 1ynn s SER 161 Ca -0.00 0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 1ynn s SER 161 Cb -0.16 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.93 1ynn s SER 161 CO -0.07 0.04 -0.01 -0.63 0.41 0.00 0.00 173.24 172.98 1ynn s ILE 162 N 0.97 3.32 -0.19 1.44 1.01 0.11 -1.95 121.20 125.91 1ynn s ILE 162 Ca 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1ynn s ILE 162 Cb -0.13 -2.66 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1ynn s ILE 162 CO 0.05 0.21 -0.11 -0.63 0.00 0.00 0.00 174.94 174.45 1ynn s ILE 163 N 1.41 1.65 0.55 2.92 1.09 -0.48 -2.32 121.20 126.02 1ynn s ILE 163 Ca 0.02 -0.96 0.01 0.00 -1.10 0.00 0.00 60.65 58.62 1ynn s ILE 163 Cb -0.16 -1.69 0.03 0.00 -1.06 0.00 0.00 42.46 39.58 1ynn s ILE 163 CO -0.02 0.22 0.78 -2.16 -0.10 0.00 0.00 174.94 173.66 1ynn s PRO 164 N 1.40 2.58 0.27 2.79 0.04 -1.26 -0.03 135.00 140.79 1ynn s PRO 164 Ca -0.00 -0.71 -0.30 0.00 0.04 0.00 0.00 61.00 60.03 1ynn s PRO 164 Cb -0.16 -2.47 -0.13 0.00 0.04 0.00 0.00 34.50 31.79 1ynn s PRO 164 CO -0.09 -0.70 1.44 1.28 0.04 0.00 0.00 177.00 178.97 1ynn n LEU 165 N -2.36 3.54 -4.76 -3.56 4.77 -1.26 -4.65 117.00 108.72 1ynn n LEU 165 Ca 0.07 1.16 -0.39 0.00 -0.03 0.00 0.00 56.01 56.82 1ynn n LEU 165 Cb 0.59 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.21 1ynn n LEU 165 CO 0.46 -0.30 0.97 -2.16 -1.33 0.00 0.00 177.39 175.02 1ynn s PRO 166 N -0.69 3.61 -1.40 3.23 0.04 -1.26 -2.35 135.00 136.18 1ynn s PRO 166 Ca 0.65 2.17 -0.07 0.00 0.04 0.00 0.00 61.00 63.78 1ynn s PRO 166 Cb -0.59 -2.52 0.04 0.00 0.04 0.00 0.00 34.50 31.47 1ynn s PRO 166 CO 0.52 -0.79 0.94 1.63 0.04 0.00 0.00 177.00 179.33 1ynn n LYS 167 N -0.41 -5.89 -2.73 4.56 4.01 -1.26 -4.92 118.16 111.52 1ynn n LYS 167 Ca 0.07 0.67 -0.08 0.00 -0.51 0.00 0.00 58.31 58.46 1ynn n LYS 167 Cb 0.44 -5.50 0.07 0.00 -0.51 0.00 0.00 35.03 29.53 1ynn n LYS 167 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ynn n ARG 168 N -4.57 0.74 0.00 1.97 1.74 -0.99 -5.08 116.66 110.46 1ynn n ARG 168 Ca -0.10 -1.61 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 1ynn n ARG 168 Cb 0.59 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 1ynn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ynn n GLY 169 N 1.22 2.96 4.00 -0.13 0.00 -1.25 -3.95 105.19 108.04 1ynn n GLY 169 Ca 0.07 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 1ynn n GLY 169 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ynn s PRO 170 N -2.97 2.80 -0.06 1.61 0.04 -1.26 -4.90 135.00 130.26 1ynn s PRO 170 Ca 0.00 -1.17 -0.30 0.00 0.04 0.00 0.00 61.00 59.57 1ynn s PRO 170 Cb 0.00 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1ynn s PRO 170 CO 0.00 -0.32 1.28 -0.46 0.04 0.00 0.00 177.00 177.54 1ynn s TRP 171 N -2.40 3.00 -0.14 0.56 -0.11 -1.26 -4.60 118.94 113.98 1ynn s TRP 171 Ca 0.55 1.04 -0.01 0.00 1.22 0.00 0.00 56.10 58.90 1ynn s TRP 171 Cb -0.10 -3.52 -0.01 0.00 -1.50 0.00 0.00 33.47 28.34 1ynn s TRP 171 CO 0.34 -1.77 -0.12 0.42 -4.62 0.00 0.00 176.95 171.20 1ynn s ILE 172 N 2.56 3.11 -0.10 5.86 1.09 -0.98 -4.20 121.20 128.53 1ynn s ILE 172 Ca 0.58 -0.63 0.02 0.00 -1.10 0.00 0.00 60.65 59.52 1ynn s ILE 172 Cb -0.26 -2.32 0.01 0.00 -1.06 0.00 0.00 42.46 38.83 1ynn s ILE 172 CO 0.22 0.51 -0.17 -1.81 -0.10 0.00 0.00 174.94 173.59 1ynn s ASP 173 N 0.47 2.52 -0.05 3.58 1.11 -0.93 0.07 116.67 123.43 1ynn s ASP 173 Ca -0.09 -0.45 -0.13 0.00 0.18 0.00 0.00 52.55 52.06 1ynn s ASP 173 Cb -0.16 -1.14 -0.05 0.00 1.07 0.00 0.00 42.92 42.64 1ynn s ASP 173 CO 0.04 0.05 0.33 -0.76 1.18 0.00 0.00 175.17 176.01 1ynn s LEU 174 N 0.81 4.42 -0.28 1.23 1.43 -0.39 -0.28 118.68 125.63 1ynn s LEU 174 Ca -0.10 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1ynn s LEU 174 Cb -0.16 -2.44 0.17 0.00 0.03 0.00 0.00 46.19 43.79 1ynn s LEU 174 CO 0.01 0.30 0.49 -1.83 0.23 0.00 0.00 176.35 175.55 1ynn s GLU 175 N -0.79 0.47 -0.16 1.70 -1.05 -1.17 0.88 118.70 118.58 1ynn s GLU 175 Ca 0.21 0.55 -0.29 0.00 -0.15 0.00 0.00 54.97 55.29 1ynn s GLU 175 Cb -0.15 -0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.47 1ynn s GLU 175 CO 0.10 -0.82 1.87 0.54 0.95 0.00 0.00 175.26 177.89 1ynn s VAL 176 N 2.68 3.34 0.55 1.83 0.11 -1.24 -4.47 120.40 123.20 1ynn s VAL 176 Ca 0.13 0.38 -0.11 0.00 -2.93 0.00 0.00 61.98 59.45 1ynn s VAL 176 Cb -0.13 -3.35 -0.05 0.00 -1.53 0.00 0.00 36.38 31.32 1ynn s VAL 176 CO -0.23 -0.15 0.95 -1.61 -3.33 0.00 0.00 175.10 170.74 1ynn s GLU 177 N 5.09 3.68 0.00 1.54 0.41 -0.05 -4.88 118.70 124.48 1ynn s GLU 177 Ca 0.84 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.07 1ynn s GLU 177 Cb -0.31 -2.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 1ynn s GLU 177 CO 0.34 -0.39 0.25 0.00 -0.49 0.00 0.00 175.26 174.97 1ynn n ALA 178 N -2.28 1.70 -2.20 5.21 0.00 -1.26 -2.47 120.51 119.21 1ynn n ALA 178 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1ynn n ALA 178 Cb 0.54 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.02 1ynn n ALA 178 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ynn n SER 179 N 0.34 0.73 0.00 0.00 3.41 -1.26 -5.02 113.62 111.82 1ynn n SER 179 Ca 0.00 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1ynn n SER 179 Cb 0.12 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1ynn n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ynn n GLY 180 N 0.14 1.71 3.37 5.00 0.00 -1.03 -4.93 105.19 109.45 1ynn n GLY 180 Ca 0.05 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1ynn n GLY 180 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ynn n VAL 181 N 0.00 1.28 -0.07 1.61 0.24 -1.26 -3.86 118.33 116.27 1ynn n VAL 181 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 1ynn n VAL 181 Cb 0.00 -0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 1ynn n VAL 181 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1ynn n VAL 182 N -1.58 0.81 -1.99 3.34 0.31 -1.26 -0.88 118.33 117.07 1ynn n VAL 182 Ca 0.10 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1ynn n VAL 182 Cb 0.47 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1ynn n VAL 182 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ynn n THR 183 N -3.09 -9.54 -3.15 2.52 -2.24 -1.26 -3.02 114.28 94.51 1ynn n THR 183 Ca -0.26 2.39 -0.39 0.00 -2.27 0.00 0.00 64.05 63.53 1ynn n THR 183 Cb 0.75 -4.16 -0.05 0.00 -2.10 0.00 0.00 70.33 64.77 1ynn n THR 183 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1ynn s MET 184 N -0.37 4.39 0.07 -0.78 1.75 0.13 -3.15 119.30 121.34 1ynn s MET 184 Ca 0.00 0.71 0.02 0.00 -1.25 0.00 0.00 55.69 55.17 1ynn s MET 184 Cb 0.00 -3.45 -0.04 0.00 2.84 0.00 0.00 34.83 34.18 1ynn s MET 184 CO 0.00 0.09 0.09 0.21 -0.65 0.00 0.00 175.02 174.76 1ynn s LYS 185 N 0.77 2.95 0.00 4.11 2.20 0.62 -0.88 119.74 129.50 1ynn s LYS 185 Ca 0.33 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1ynn s LYS 185 Cb -0.17 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1ynn s LYS 185 CO 0.15 0.58 0.00 1.55 -0.36 0.00 0.00 175.35 177.27 1ynn n VAL 186 N 0.54 0.00 -2.03 4.02 3.14 -0.26 -2.19 118.33 121.54 1ynn n VAL 186 Ca -0.09 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.10 1ynn n VAL 186 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 1ynn n VAL 186 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ynn n ASN 187 N 0.00 -5.24 -0.60 6.55 4.13 -1.26 0.21 115.26 119.04 1ynn n ASN 187 Ca 0.00 0.22 -0.08 0.00 1.68 0.00 0.00 54.58 56.41 1ynn n ASN 187 Cb 0.00 -4.51 -0.03 0.00 -1.54 0.00 0.00 39.78 33.70 1ynn n ASN 187 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1ynn n LYS 188 N -2.65 -1.78 -4.04 3.52 0.00 -1.26 -4.99 118.16 106.96 1ynn n LYS 188 Ca -0.21 0.73 -0.35 0.00 -0.00 0.00 0.00 58.31 58.48 1ynn n LYS 188 Cb 0.65 -5.09 -0.07 0.00 -0.00 0.00 0.00 35.03 30.52 1ynn n LYS 188 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1ynn s ARG 189 N -2.55 3.25 -0.16 -1.58 3.03 0.13 -5.11 118.95 115.97 1ynn s ARG 189 Ca 0.00 -0.30 0.01 0.00 2.03 0.00 0.00 55.73 57.47 1ynn s ARG 189 Cb 0.00 -3.01 0.02 0.00 -1.03 0.00 0.00 34.95 30.93 1ynn s ARG 189 CO 0.00 0.72 -0.19 0.15 -1.13 0.00 0.00 175.30 174.84 1ynn s LYS 190 N -1.31 2.82 0.06 3.89 1.02 -1.26 -1.10 119.74 123.86 1ynn s LYS 190 Ca 0.18 -0.77 0.04 0.00 0.02 0.00 0.00 55.97 55.45 1ynn s LYS 190 Cb -0.12 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1ynn s LYS 190 CO 0.08 -0.14 -0.13 -0.59 -0.92 0.00 0.00 175.35 173.66 1ynn s PHE 191 N 1.15 1.10 -0.00 3.18 -0.12 -0.06 -5.00 117.98 118.22 1ynn s PHE 191 Ca 0.00 -0.44 -0.38 0.00 -0.05 0.00 0.00 56.93 56.06 1ynn s PHE 191 Cb -0.14 -0.63 -0.17 0.00 -0.63 0.00 0.00 43.02 41.45 1ynn s PHE 191 CO -0.08 0.03 1.36 -2.30 -0.05 0.00 0.00 175.22 174.18 1ynn n PRO 192 N 1.46 0.92 -0.12 1.99 -0.02 -1.26 0.21 135.00 138.18 1ynn n PRO 192 Ca -0.21 0.33 -0.08 0.00 -2.02 0.00 0.00 63.50 61.52 1ynn n PRO 192 Cb 0.54 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1ynn n PRO 192 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ynn h LEU 193 N 4.71 0.41 -0.64 2.45 6.46 -1.88 -3.11 115.31 123.71 1ynn h LEU 193 Ca -0.48 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.38 1ynn h LEU 193 Cb 1.35 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 41.08 1ynn h LEU 193 CO 0.79 0.29 -0.23 1.33 -0.62 0.00 0.00 178.44 180.01 1ynn n VAL 194 N -4.84 -0.32 -0.38 1.05 0.24 -1.26 0.46 118.33 113.27 1ynn n VAL 194 Ca 0.00 1.50 -0.11 0.00 -2.04 0.00 0.00 64.34 63.70 1ynn n VAL 194 Cb 0.04 -2.01 -0.10 0.00 -1.47 0.00 0.00 33.84 30.30 1ynn n VAL 194 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ynn h LEU 195 N 0.00 -2.06 -1.61 1.34 5.85 -1.80 1.14 115.31 118.17 1ynn h LEU 195 Ca 0.25 0.31 -0.02 0.00 0.84 0.00 0.00 57.88 59.26 1ynn h LEU 195 Cb 0.41 0.91 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1ynn h LEU 195 CO -0.65 -0.23 0.04 0.25 -0.34 0.00 0.00 178.44 177.51 1ynn h LEU 196 N -0.03 0.26 -0.35 2.25 5.85 -0.19 -0.74 115.31 122.37 1ynn h LEU 196 Ca 0.15 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1ynn h LEU 196 Cb 0.41 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1ynn h LEU 196 CO -0.87 0.28 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.12 1ynn h LEU 197 N 0.29 0.88 -1.55 2.25 3.38 -0.38 -3.06 115.31 117.12 1ynn h LEU 197 Ca 0.07 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.67 1ynn h LEU 197 Cb 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1ynn h LEU 197 CO -0.00 1.16 0.43 -0.09 0.09 0.00 0.00 178.44 180.03 1ynn h ARG 198 N 0.62 0.50 0.00 1.13 9.65 0.27 0.47 114.38 127.01 1ynn h ARG 198 Ca 0.06 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1ynn h ARG 198 Cb 0.90 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1ynn h ARG 198 CO 0.08 0.33 -0.23 0.28 2.80 0.00 0.00 179.97 183.23 1ynn h VAL 199 N 0.51 0.71 -0.52 0.20 2.07 -1.31 -2.73 116.25 115.18 1ynn h VAL 199 Ca 0.30 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1ynn h VAL 199 Cb 0.48 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1ynn h VAL 199 CO -0.09 0.22 0.01 0.18 0.02 0.00 0.00 177.57 177.91 1ynn n LEU 200 N -3.62 5.25 -1.51 2.57 4.77 0.16 -4.23 117.00 120.39 1ynn n LEU 200 Ca -0.01 -2.67 -0.13 0.00 -0.03 0.00 0.00 56.01 53.17 1ynn n LEU 200 Cb 0.36 -0.67 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1ynn n LEU 200 CO 0.33 0.59 -0.14 0.61 -1.33 0.00 0.00 177.39 177.46 1ynn n GLY 201 N 0.54 -0.14 3.53 -0.72 0.00 -1.02 -4.65 105.19 102.74 1ynn n GLY 201 Ca 0.25 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1ynn n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ynn s TYR 202 N -2.68 3.05 0.54 1.61 1.51 -0.96 -5.03 117.35 115.40 1ynn s TYR 202 Ca 0.03 0.05 -0.14 0.00 -1.01 0.00 0.00 57.07 56.00 1ynn s TYR 202 Cb -0.01 -3.42 -0.06 0.00 -0.11 0.00 0.00 41.96 38.36 1ynn s TYR 202 CO 0.03 -0.88 0.98 0.16 -1.11 0.00 0.00 175.55 174.74 1ynn s ASP 203 N 2.02 6.48 0.00 2.29 -4.77 -1.26 -4.48 116.67 116.95 1ynn s ASP 203 Ca 0.25 1.48 0.00 0.00 -3.30 0.00 0.00 52.55 50.98 1ynn s ASP 203 Cb -0.14 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1ynn s ASP 203 CO 0.20 -0.67 0.75 0.00 0.70 0.00 0.00 175.17 176.15 1ynn n GLN 204 N -1.96 0.00 -0.13 2.11 10.64 -1.26 -2.45 117.38 124.33 1ynn n GLN 204 Ca 0.06 0.25 -0.28 0.00 -1.83 0.00 0.00 57.00 55.20 1ynn n GLN 204 Cb 0.54 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.32 1ynn n GLN 204 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1ynn n GLU 205 N -1.25 0.58 0.13 2.61 1.02 -1.26 -4.09 120.64 118.39 1ynn n GLU 205 Ca 0.00 0.32 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 1ynn n GLU 205 Cb 0.00 -1.54 0.48 0.00 -0.02 0.00 0.00 31.44 30.37 1ynn n GLU 205 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1ynn n THR 206 N -4.29 1.17 0.02 2.62 5.66 -1.03 -0.07 114.28 118.36 1ynn n THR 206 Ca -0.49 0.65 -0.18 0.00 -3.05 0.00 0.00 64.05 60.98 1ynn n THR 206 Cb 0.84 -1.64 -0.13 0.00 -1.55 0.00 0.00 70.33 67.84 1ynn n THR 206 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1ynn h LEU 207 N 0.00 0.43 -1.52 1.09 4.07 -1.76 -2.62 115.31 115.00 1ynn h LEU 207 Ca 0.00 -0.88 0.00 0.00 0.08 0.00 0.00 57.88 57.08 1ynn h LEU 207 Cb 0.03 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1ynn h LEU 207 CO 0.00 1.27 0.00 0.58 -1.08 0.00 0.00 178.44 179.21 1ynn h VAL 208 N -0.35 0.00 0.00 1.22 2.07 -0.63 0.40 116.25 118.96 1ynn h VAL 208 Ca -0.10 -0.12 -0.16 0.00 0.82 0.00 0.00 66.70 67.14 1ynn h VAL 208 Cb 1.44 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1ynn h VAL 208 CO 0.12 0.00 -1.01 0.03 0.02 0.00 0.00 177.57 176.73 1ynn h ARG 209 N 0.00 0.00 0.00 1.57 3.08 -1.41 -3.35 114.38 114.28 1ynn h ARG 209 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ynn h ARG 209 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1ynn h ARG 209 CO 0.00 0.70 -0.36 -1.91 -1.07 0.00 0.00 179.97 177.33 1ynn n GLU 210 N -4.49 0.07 -1.08 0.04 4.07 -0.99 -4.49 120.64 113.77 1ynn n GLU 210 Ca -0.24 0.03 0.01 0.00 -0.06 0.00 0.00 57.16 56.90 1ynn n GLU 210 Cb 0.55 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 1ynn n GLU 210 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ynn n LEU 211 N -1.65 0.44 0.00 4.31 7.99 0.13 -4.92 117.00 123.29 1ynn n LEU 211 Ca 0.06 -1.62 0.00 0.00 -0.01 0.00 0.00 56.01 54.43 1ynn n LEU 211 Cb 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 1ynn n LEU 211 CO 0.33 0.54 0.00 -0.24 -1.51 0.00 0.00 177.39 176.51 1ynn n SER 212 N 0.26 0.00 0.00 -1.43 2.88 -1.23 -4.45 113.62 109.65 1ynn n SER 212 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ynn n SER 212 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1ynn n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ynn n ALA 213 N -2.98 0.00 -2.18 -1.46 0.00 -1.26 -3.96 120.51 108.66 1ynn n ALA 213 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1ynn n ALA 213 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ynn n ALA 213 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ynn s TYR 214 N 0.00 1.97 0.26 0.00 -0.85 -1.26 -4.85 117.35 112.62 1ynn s TYR 214 Ca 0.00 0.62 0.00 0.00 -0.52 0.00 0.00 57.07 57.17 1ynn s TYR 214 Cb 0.00 -4.23 0.00 0.00 0.38 0.00 0.00 41.96 38.11 1ynn s TYR 214 CO 0.00 -2.32 0.00 0.41 -1.52 0.00 0.00 175.55 172.12 1ynn n GLY 215 N 5.43 -1.77 2.23 5.49 0.00 -1.25 -4.31 105.19 111.01 1ynn n GLY 215 Ca 0.18 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 1ynn n GLY 215 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ynn n ASP 216 N -3.53 4.72 0.01 1.61 10.43 -1.26 -4.69 116.55 123.85 1ynn n ASP 216 Ca 0.01 -3.62 0.02 0.00 2.57 0.00 0.00 54.79 53.77 1ynn n ASP 216 Cb 0.51 -0.87 0.38 0.00 1.84 0.00 0.00 41.12 42.98 1ynn n ASP 216 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1ynn h LEU 217 N 1.26 0.46 0.00 0.64 3.38 -1.88 -1.38 115.31 117.79 1ynn h LEU 217 Ca 0.62 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1ynn h LEU 217 Cb 2.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.96 1ynn h LEU 217 CO 1.21 0.42 0.00 1.33 0.09 0.00 0.00 178.44 181.49 1ynn n VAL 218 N -4.39 1.89 -0.35 1.22 0.24 -1.26 -3.10 118.33 112.58 1ynn n VAL 218 Ca 0.02 0.47 0.10 0.00 -2.04 0.00 0.00 64.34 62.90 1ynn n VAL 218 Cb 0.14 -1.47 0.28 0.00 -1.47 0.00 0.00 33.84 31.33 1ynn n VAL 218 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1ynn h GLN 219 N 0.00 0.77 -0.00 7.34 4.15 -1.59 0.70 115.11 126.49 1ynn h GLN 219 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1ynn h GLN 219 Cb 0.01 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1ynn h GLN 219 CO 0.00 0.51 -0.43 0.41 -1.93 0.00 0.00 178.83 177.39 1ynn n GLY 220 N -1.33 -1.27 0.09 2.39 0.00 -1.18 -2.46 105.19 101.42 1ynn n GLY 220 Ca 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1ynn n GLY 220 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ynn h LEU 221 N 0.02 0.00 0.08 0.99 5.85 -1.41 -3.39 115.31 117.44 1ynn h LEU 221 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 1ynn h LEU 221 Cb 0.50 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1ynn h LEU 221 CO 0.00 0.75 -2.17 -0.11 -0.34 0.00 0.00 178.44 176.57 1ynn n LEU 222 N -3.06 2.70 0.14 2.25 7.94 0.12 -4.13 117.00 122.95 1ynn n LEU 222 Ca -0.08 0.09 0.09 0.00 -1.11 0.00 0.00 56.01 55.00 1ynn n LEU 222 Cb 0.90 -1.00 0.49 0.00 0.53 0.00 0.00 43.42 44.34 1ynn n LEU 222 CO 0.44 0.87 0.78 -0.67 -1.11 0.00 0.00 177.39 177.70 1ynn n ASP 223 N -3.39 0.47 -3.57 1.96 2.03 -1.03 -2.64 116.55 110.38 1ynn n ASP 223 Ca -0.37 0.72 -0.41 0.00 0.52 0.00 0.00 54.79 55.25 1ynn n ASP 223 Cb 1.03 -0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 40.64 1ynn n ASP 223 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ynn n GLU 224 N -2.13 3.79 0.00 -0.67 4.07 -1.26 -4.48 120.64 119.96 1ynn n GLU 224 Ca -0.01 -2.96 0.11 0.00 -0.06 0.00 0.00 57.16 54.24 1ynn n GLU 224 Cb 0.03 -2.87 0.64 0.00 -0.06 0.00 0.00 31.44 29.18 1ynn n GLU 224 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ynn n ALA 225 N 3.58 2.29 -0.11 4.31 0.00 -1.08 -3.51 120.51 125.99 1ynn n ALA 225 Ca 0.60 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.84 1ynn n ALA 225 Cb 0.30 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.40 1ynn n ALA 225 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ynn h VAL 226 N 0.00 0.91 -2.58 0.00 2.07 -1.90 -3.34 116.25 111.42 1ynn h VAL 226 Ca 0.00 -0.10 -0.60 0.00 0.82 0.00 0.00 66.70 66.82 1ynn h VAL 226 Cb 0.06 0.59 -0.39 0.00 -1.52 0.00 0.00 31.29 30.02 1ynn h VAL 226 CO 0.00 0.05 -0.86 -0.22 0.02 0.00 0.00 177.57 176.57 1ynn s LEU 227 N -10.30 2.31 -0.30 2.57 2.96 -1.23 -4.85 118.68 109.84 1ynn s LEU 227 Ca -0.13 -3.21 0.14 0.00 -0.22 0.00 0.00 54.13 50.71 1ynn s LEU 227 Cb 0.12 -0.76 0.47 0.00 0.50 0.00 0.00 46.19 46.52 1ynn s LEU 227 CO 0.71 -0.16 1.12 0.00 -1.32 0.00 0.00 176.35 176.70 1ynn n ALA 228 N 2.71 3.94 -1.75 5.97 0.00 -1.25 -4.65 120.51 125.48 1ynn n ALA 228 Ca 0.26 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1ynn n ALA 228 Cb 0.44 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1ynn n ALA 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ynn n MET 229 N -0.55 0.00 -4.18 0.00 2.81 -1.26 -4.72 117.12 109.22 1ynn n MET 229 Ca 0.25 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.80 1ynn n MET 229 Cb 0.85 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 33.25 1ynn n MET 229 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1ynn s ARG 230 N 0.00 3.80 0.15 0.03 3.52 -1.26 -5.02 118.95 120.18 1ynn s ARG 230 Ca 0.00 -0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 54.98 1ynn s ARG 230 Cb 0.00 -3.07 0.05 0.00 -1.56 0.00 0.00 34.95 30.37 1ynn s ARG 230 CO 0.00 0.23 1.70 -1.35 -0.81 0.00 0.00 175.30 175.07 1ynn h PRO 231 N 6.79 0.07 -0.66 5.12 0.11 -1.94 0.48 132.00 141.96 1ynn h PRO 231 Ca -0.34 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 1ynn h PRO 231 Cb 1.18 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1ynn h PRO 231 CO 0.66 0.04 0.21 0.93 -0.21 0.00 0.00 178.00 179.64 1ynn h GLU 232 N 0.07 1.00 0.00 1.05 3.07 -1.94 -1.52 114.58 116.31 1ynn h GLU 232 Ca 0.15 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1ynn h GLU 232 Cb 0.21 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1ynn h GLU 232 CO -0.27 0.85 -0.32 0.93 -1.40 0.00 0.00 179.01 178.81 1ynn h GLU 233 N 0.97 0.00 0.27 2.33 4.39 -1.88 -2.76 114.58 117.91 1ynn h GLU 233 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1ynn h GLU 233 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ynn h GLU 233 CO -0.01 0.32 -0.13 0.00 -1.16 0.00 0.00 179.01 178.03 1ynn h ALA 234 N 1.68 -0.37 -1.00 3.43 0.00 -0.44 -3.13 119.26 119.44 1ynn h ALA 234 Ca -0.00 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 55.06 1ynn h ALA 234 Cb 0.92 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 1ynn h ALA 234 CO 0.04 -0.50 0.53 0.52 0.00 0.00 0.00 179.25 179.85 1ynn h MET 235 N -0.78 0.22 0.40 0.00 2.86 -1.07 -1.47 114.93 115.08 1ynn h MET 235 Ca -0.04 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1ynn h MET 235 Cb 0.51 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1ynn h MET 235 CO 0.06 0.15 -0.19 0.28 1.06 0.00 0.00 176.91 178.26 1ynn h VAL 236 N 0.23 0.34 -0.13 -2.22 2.07 -1.56 -2.23 116.25 112.75 1ynn h VAL 236 Ca 0.75 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1ynn h VAL 236 Cb 1.79 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1ynn h VAL 236 CO -0.66 0.07 0.10 0.03 0.02 0.00 0.00 177.57 177.13 1ynn h ARG 237 N -1.02 0.00 0.54 1.57 2.47 -1.30 0.38 114.38 117.02 1ynn h ARG 237 Ca -0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1ynn h ARG 237 Cb 0.53 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1ynn h ARG 237 CO 0.09 0.00 -0.26 1.25 0.56 0.00 0.00 179.97 181.61 1ynn h LEU 238 N 0.00 -0.61 -0.88 3.04 5.85 -1.36 -2.01 115.31 119.34 1ynn h LEU 238 Ca 0.06 -0.03 0.21 0.00 0.84 0.00 0.00 57.88 58.95 1ynn h LEU 238 Cb 0.25 0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.28 1ynn h LEU 238 CO -0.00 -0.21 -0.06 0.15 -0.34 0.00 0.00 178.44 177.98 1ynn h PHE 239 N -1.11 -0.18 -0.48 1.25 3.57 -0.58 0.27 116.94 119.69 1ynn h PHE 239 Ca -0.07 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1ynn h PHE 239 Cb 0.61 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1ynn h PHE 239 CO 0.01 -0.35 0.13 1.15 -2.23 0.00 0.00 178.31 177.02 1ynn h THR 240 N 0.04 0.78 -0.03 4.41 2.02 -0.27 -3.01 112.91 116.85 1ynn h THR 240 Ca 0.48 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.48 1ynn h THR 240 Cb 0.87 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1ynn h THR 240 CO -0.83 0.05 -0.30 0.25 0.37 0.00 0.00 175.52 175.06 1ynn h LEU 241 N 0.28 0.32 0.00 2.58 6.46 0.20 -3.34 115.31 121.80 1ynn h LEU 241 Ca 0.23 -0.70 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 1ynn h LEU 241 Cb 0.28 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1ynn h LEU 241 CO -0.28 0.97 0.00 0.18 -0.62 0.00 0.00 178.44 178.69 1ynn n LEU 242 N -4.46 0.01 -4.16 2.25 7.99 0.19 -4.62 117.00 114.19 1ynn n LEU 242 Ca -0.09 0.29 -0.39 0.00 -0.01 0.00 0.00 56.01 55.81 1ynn n LEU 242 Cb 0.50 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.71 1ynn n LEU 242 CO 0.41 0.00 -0.07 -0.13 -1.51 0.00 0.00 177.39 176.08 1ynn s ARG 243 N -0.57 2.29 0.76 3.23 0.52 -1.14 -5.05 118.95 118.98 1ynn s ARG 243 Ca 0.00 -1.87 -0.10 0.00 -0.52 0.00 0.00 55.73 53.25 1ynn s ARG 243 Cb 0.00 -3.77 0.07 0.00 0.52 0.00 0.00 34.95 31.77 1ynn s ARG 243 CO 0.00 -1.14 1.10 -1.25 0.02 0.00 0.00 175.30 174.03 1ynn s PRO 244 N 1.12 2.11 0.00 3.54 0.05 -1.25 -4.65 135.00 135.92 1ynn s PRO 244 Ca 0.08 -0.03 0.00 0.00 0.05 0.00 0.00 61.00 61.10 1ynn s PRO 244 Cb -0.24 -2.05 0.00 0.00 0.05 0.00 0.00 34.50 32.26 1ynn s PRO 244 CO -0.03 -1.41 0.00 0.41 0.05 0.00 0.00 177.00 176.02 1ynn n GLY 245 N -3.13 1.95 2.70 0.56 0.00 -1.26 -5.02 105.19 100.98 1ynn n GLY 245 Ca 0.08 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1ynn n GLY 245 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ynn s ASP 246 N -0.33 3.64 -0.92 1.61 -4.77 -1.26 -5.07 116.67 109.57 1ynn s ASP 246 Ca 0.00 -2.48 0.00 0.00 -3.30 0.00 0.00 52.55 46.78 1ynn s ASP 246 Cb 0.00 -0.97 0.33 0.00 -1.09 0.00 0.00 42.92 41.19 1ynn s ASP 246 CO 0.00 -0.29 1.63 -0.81 0.70 0.00 0.00 175.17 176.41 1ynn n PRO 247 N 3.73 4.87 -0.64 2.11 -0.04 -1.26 -4.88 135.00 138.89 1ynn n PRO 247 Ca 0.08 -4.68 0.00 0.00 -0.04 0.00 0.00 63.50 58.86 1ynn n PRO 247 Cb 0.35 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1ynn n PRO 247 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ynn n PRO 248 N -0.12 1.76 0.01 0.54 -0.05 -1.26 -5.06 135.00 130.83 1ynn n PRO 248 Ca 0.44 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 64.01 1ynn n PRO 248 Cb 0.29 0.00 0.32 0.00 -0.05 0.00 0.00 33.50 34.06 1ynn n PRO 248 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 175.50 175.81 1ynn n LYS 249 N -0.62 0.06 -0.64 0.54 0.00 -1.26 -4.18 118.16 112.05 1ynn n LYS 249 Ca 0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 58.31 58.27 1ynn n LYS 249 Cb 0.00 -1.54 -0.09 0.00 -0.00 0.00 0.00 35.03 33.40 1ynn n LYS 249 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ynn n LYS 250 N -1.62 1.28 0.07 -1.58 4.76 -1.26 -4.05 118.16 115.77 1ynn n LYS 250 Ca 0.05 -0.53 -0.14 0.00 -2.87 0.00 0.00 58.31 54.82 1ynn n LYS 250 Cb 0.36 -1.66 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 1ynn n LYS 250 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1ynn h ASP 251 N 3.16 0.52 -1.68 4.39 3.32 -1.89 -3.11 116.42 121.13 1ynn h ASP 251 Ca 0.10 -0.44 0.49 0.00 0.02 0.00 0.00 57.03 57.20 1ynn h ASP 251 Cb 1.03 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.35 1ynn h ASP 251 CO 0.21 1.25 1.33 1.17 -1.72 0.00 0.00 179.24 181.48 1ynn n LYS 252 N -3.71 0.00 0.10 3.56 4.81 -1.26 0.71 118.16 122.38 1ynn n LYS 252 Ca -0.07 1.03 -0.13 0.00 -0.87 0.00 0.00 58.31 58.27 1ynn n LYS 252 Cb 0.87 -2.42 -0.06 0.00 0.02 0.00 0.00 35.03 33.44 1ynn n LYS 252 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ynn h ALA 253 N 0.84 -0.58 0.01 3.14 0.00 -1.89 -1.38 119.26 119.40 1ynn h ALA 253 Ca 0.80 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.66 1ynn h ALA 253 Cb 3.44 0.58 0.00 0.00 0.00 0.00 0.00 17.79 21.81 1ynn h ALA 253 CO -0.01 -0.89 -0.00 1.25 0.00 0.00 0.00 179.25 179.60 1ynn h LEU 254 N -0.56 -0.01 -2.74 0.00 5.85 0.06 -3.33 115.31 114.58 1ynn h LEU 254 Ca 0.03 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1ynn h LEU 254 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1ynn h LEU 254 CO -0.22 0.78 0.04 0.00 -0.34 0.00 0.00 178.44 178.70 1ynn h ALA 255 N 0.16 1.04 -0.28 1.25 0.00 -1.32 -0.81 119.26 119.30 1ynn h ALA 255 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ynn h ALA 255 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ynn h ALA 255 CO 0.00 -0.04 -0.22 -0.92 0.00 0.00 0.00 179.25 178.08 1ynn h TYR 256 N 0.00 0.59 0.00 0.00 3.20 -1.36 -3.34 116.97 116.05 1ynn h TYR 256 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1ynn h TYR 256 Cb 0.08 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1ynn h TYR 256 CO 0.00 0.71 0.00 1.28 -1.64 0.00 0.00 178.16 178.51 1ynn n LEU 257 N -4.14 0.00 -2.27 2.82 4.32 -0.31 -2.17 117.00 115.26 1ynn n LEU 257 Ca -0.00 0.29 -0.03 0.00 -0.02 0.00 0.00 56.01 56.25 1ynn n LEU 257 Cb 0.39 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.15 1ynn n LEU 257 CO 0.42 0.00 0.72 2.22 -1.22 0.00 0.00 177.39 179.53 1ynn n PHE 258 N -0.40 0.00 0.00 -1.77 -1.74 -1.26 -3.90 117.46 108.39 1ynn n PHE 258 Ca 0.00 -0.40 0.00 0.00 -0.56 0.00 0.00 57.45 56.49 1ynn n PHE 258 Cb 0.00 -0.66 0.00 0.00 1.52 0.00 0.00 39.48 40.34 1ynn n PHE 258 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ynn n GLY 259 N 2.68 2.57 3.95 4.97 0.00 -1.12 -4.89 105.19 113.35 1ynn n GLY 259 Ca 0.10 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1ynn n GLY 259 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ynn s LEU 260 N 0.00 2.86 0.25 0.99 0.05 -0.92 -4.08 118.68 117.82 1ynn s LEU 260 Ca 0.00 0.20 0.00 0.00 0.05 0.00 0.00 54.13 54.38 1ynn s LEU 260 Cb 0.00 -2.67 0.00 0.00 -2.05 0.00 0.00 46.19 41.47 1ynn s LEU 260 CO 0.00 -1.86 0.00 0.00 -0.55 0.00 0.00 176.35 173.94 1ynn n LEU 261 N -3.04 -2.30 -0.82 1.48 -0.00 -1.26 -4.54 117.00 106.52 1ynn n LEU 261 Ca 0.11 1.56 0.00 0.00 -0.00 0.00 0.00 56.01 57.68 1ynn n LEU 261 Cb 0.60 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1ynn n LEU 261 CO 0.48 0.08 0.22 0.00 -0.00 0.00 0.00 177.39 178.17 1ynn n ALA 262 N -0.70 1.94 -0.58 1.47 0.00 -1.26 -4.08 120.51 117.30 1ynn n ALA 262 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ynn n ALA 262 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ynn n ALA 262 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ynn n ASP 263 N 0.56 0.00 0.00 0.00 -0.08 -1.26 -4.79 116.55 110.98 1ynn n ASP 263 Ca 0.00 0.71 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 1ynn n ASP 263 Cb 0.22 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1ynn n ASP 263 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1ynn n PRO 264 N -1.30 0.00 -1.94 -0.67 -0.05 -1.26 -4.90 135.00 124.88 1ynn n PRO 264 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 63.50 63.18 1ynn n PRO 264 Cb 0.00 -0.17 -0.05 0.00 -0.05 0.00 0.00 33.50 33.23 1ynn n PRO 264 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 175.50 175.66 1ynn s LYS 265 N -0.40 2.37 -0.55 0.54 2.47 -1.25 -3.79 119.74 119.12 1ynn s LYS 265 Ca 0.00 0.10 0.06 0.00 -1.56 0.00 0.00 55.97 54.57 1ynn s LYS 265 Cb 0.00 -4.87 0.22 0.00 -1.46 0.00 0.00 37.83 31.72 1ynn s LYS 265 CO 0.00 -3.45 0.57 0.54 0.16 0.00 0.00 175.35 173.16 1ynn n ARG 266 N 8.92 1.51 0.15 4.03 3.00 -1.26 -4.53 116.66 128.47 1ynn n ARG 266 Ca 0.38 -4.00 0.19 0.00 -0.01 0.00 0.00 57.85 54.41 1ynn n ARG 266 Cb 0.48 -1.89 0.75 0.00 0.00 0.00 0.00 32.46 31.80 1ynn n ARG 266 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1ynn h TYR 267 N 4.63 0.00 -1.37 -1.55 0.05 -1.85 -3.40 116.97 113.47 1ynn h TYR 267 Ca 0.17 0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.09 1ynn h TYR 267 Cb 0.78 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 38.27 1ynn h TYR 267 CO 0.54 0.00 0.70 0.16 -1.05 0.00 0.00 178.16 178.51 1ynn s ASP 268 N -5.07 -0.25 -0.15 3.88 -4.77 -1.26 -3.65 116.67 105.40 1ynn s ASP 268 Ca -0.04 0.27 -0.11 0.00 -3.30 0.00 0.00 52.55 49.37 1ynn s ASP 268 Cb 0.14 0.20 -0.04 0.00 -1.09 0.00 0.00 42.92 42.13 1ynn s ASP 268 CO 0.48 -0.23 -0.21 0.18 0.70 0.00 0.00 175.17 176.09 1ynn n LEU 269 N 0.66 1.84 -1.11 2.11 4.77 -1.26 -4.72 117.00 119.28 1ynn n LEU 269 Ca -0.06 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.52 1ynn n LEU 269 Cb 0.58 -0.84 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1ynn n LEU 269 CO 0.13 -0.41 0.18 0.61 -1.33 0.00 0.00 177.39 176.57 1ynn n GLY 270 N 1.58 2.44 0.00 -0.72 0.00 -1.26 -4.90 105.19 102.33 1ynn n GLY 270 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1ynn n GLY 270 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ynn n GLU 271 N -0.11 3.26 0.07 1.61 -0.58 -1.26 -4.95 120.64 118.68 1ynn n GLU 271 Ca 0.10 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.63 1ynn n GLU 271 Cb 0.96 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.68 1ynn n GLU 271 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ynn h ALA 272 N -1.08 -0.07 -0.39 0.62 0.00 -1.87 -3.17 119.26 113.29 1ynn h ALA 272 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 54.91 54.17 1ynn h ALA 272 Cb 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1ynn h ALA 272 CO 0.00 0.53 -0.16 0.41 0.00 0.00 0.00 179.25 180.03 1ynn n GLY 273 N 1.70 -0.83 0.01 0.00 0.00 -1.24 0.28 105.19 105.11 1ynn n GLY 273 Ca -0.16 0.44 -0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ynn n GLY 273 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ynn h ARG 274 N 0.00 -0.02 -0.57 1.61 0.11 -1.84 -3.14 114.38 110.54 1ynn h ARG 274 Ca 0.13 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.26 1ynn h ARG 274 Cb 0.22 0.01 -0.07 0.00 1.11 0.00 0.00 29.97 31.24 1ynn h ARG 274 CO -0.38 -0.01 -0.32 0.98 0.10 0.00 0.00 179.97 180.33 1ynn n TYR 275 N -2.31 -0.22 0.26 4.08 -0.00 -0.14 0.24 117.16 119.07 1ynn n TYR 275 Ca -0.00 0.71 -0.16 0.00 -0.00 0.00 0.00 57.90 58.44 1ynn n TYR 275 Cb 0.01 -0.56 -0.08 0.00 -0.00 0.00 0.00 39.34 38.70 1ynn n TYR 275 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1ynn h LYS 276 N 0.00 -0.80 0.00 2.98 1.57 0.40 -0.80 116.57 119.91 1ynn h LYS 276 Ca 0.10 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ynn h LYS 276 Cb 0.24 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ynn h LYS 276 CO -0.53 -0.54 0.00 0.00 -0.57 0.00 0.00 179.45 177.81 1ynn h ALA 277 N -0.47 1.00 -0.00 3.86 0.00 -0.38 0.93 119.26 124.20 1ynn h ALA 277 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ynn h ALA 277 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ynn h ALA 277 CO -0.04 0.00 -0.14 -1.91 0.00 0.00 0.00 179.25 177.16 1ynn n GLU 278 N -2.90 0.09 -0.01 0.00 2.13 0.67 -2.15 120.64 118.46 1ynn n GLU 278 Ca 0.00 -0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.80 1ynn n GLU 278 Cb 0.24 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.43 1ynn n GLU 278 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ynn n GLU 279 N -1.44 2.77 -0.01 5.31 4.07 0.02 -4.17 120.64 127.20 1ynn n GLU 279 Ca 0.08 -0.01 0.08 0.00 -0.06 0.00 0.00 57.16 57.25 1ynn n GLU 279 Cb 0.33 -1.06 -0.12 0.00 -0.06 0.00 0.00 31.44 30.53 1ynn n GLU 279 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1ynn n LYS 280 N -1.96 0.89 0.00 5.31 4.01 0.30 -4.98 118.16 121.73 1ynn n LYS 280 Ca -0.03 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1ynn n LYS 280 Cb 0.45 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 1ynn n LYS 280 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1ynn n LEU 281 N -1.84 0.00 -2.59 -0.35 7.94 -0.91 -5.01 117.00 114.24 1ynn n LEU 281 Ca -0.01 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.71 1ynn n LEU 281 Cb 0.38 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.34 1ynn n LEU 281 CO 0.35 0.00 0.03 0.61 -1.11 0.00 0.00 177.39 177.27 1ynn n GLY 282 N 5.00 3.74 0.91 -3.96 0.00 -1.22 -5.00 105.19 104.66 1ynn n GLY 282 Ca 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.08 1ynn n GLY 282 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ynn n VAL 283 N -0.26 0.00 -2.64 1.61 0.31 -1.26 -5.00 118.33 111.10 1ynn n VAL 283 Ca 0.24 0.20 -0.05 0.00 -0.01 0.00 0.00 64.34 64.72 1ynn n VAL 283 Cb 0.73 -0.42 -0.04 0.00 -0.91 0.00 0.00 33.84 33.20 1ynn n VAL 283 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ynn n GLY 284 N -2.96 -4.83 3.36 2.92 0.00 -1.26 -4.86 105.19 97.55 1ynn n GLY 284 Ca -0.02 1.63 -0.12 0.00 0.00 0.00 0.00 46.02 47.51 1ynn n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ynn s LEU 285 N -0.60 0.12 0.00 0.99 1.43 -1.26 -5.01 118.68 114.35 1ynn s LEU 285 Ca -0.26 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1ynn s LEU 285 Cb 0.02 2.01 0.00 0.00 0.03 0.00 0.00 46.19 48.25 1ynn s LEU 285 CO 0.70 -0.78 0.00 -1.20 0.23 0.00 0.00 176.35 175.30 1ynn n SER 286 N 0.14 0.00 0.00 2.29 7.64 -1.26 -5.00 113.62 117.43 1ynn n SER 286 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1ynn n SER 286 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1ynn n SER 286 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ynn n GLY 287 N 4.32 0.00 3.39 0.23 0.00 -1.26 -4.69 105.19 107.19 1ynn n GLY 287 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ynn n GLY 287 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ynn s ARG 288 N -1.94 1.41 -0.29 1.61 1.04 -1.26 -4.14 118.95 115.39 1ynn s ARG 288 Ca 0.00 -1.38 -0.28 0.00 -1.04 0.00 0.00 55.73 53.03 1ynn s ARG 288 Cb 0.00 -1.88 -0.03 0.00 -2.04 0.00 0.00 34.95 31.00 1ynn s ARG 288 CO 0.00 0.44 1.98 0.99 -0.04 0.00 0.00 175.30 178.67 1ynn s THR 289 N -1.17 3.27 0.23 4.99 2.01 -1.26 -4.37 115.64 119.35 1ynn s THR 289 Ca 0.15 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1ynn s THR 289 Cb -0.10 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1ynn s THR 289 CO 0.07 -0.24 0.00 0.00 -0.69 0.00 0.00 174.62 173.76 1ynn n LEU 290 N 10.97 -5.26 -4.59 4.42 -0.00 -1.26 -4.09 117.00 117.18 1ynn n LEU 290 Ca 0.26 2.50 -0.41 0.00 -0.00 0.00 0.00 56.01 58.36 1ynn n LEU 290 Cb 0.46 -2.41 -0.07 0.00 -0.00 0.00 0.00 43.42 41.41 1ynn n LEU 290 CO 0.67 -0.92 0.38 -0.69 -0.00 0.00 0.00 177.39 176.84 1ynn s VAL 291 N -1.08 4.93 0.00 1.47 1.01 0.82 -3.22 120.40 124.34 1ynn s VAL 291 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1ynn s VAL 291 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1ynn s VAL 291 CO 0.00 -0.16 0.00 -2.11 0.00 0.00 0.00 175.10 172.83 1ynn n ARG 292 N 5.89 0.00 -1.50 2.72 0.00 -1.26 0.36 116.66 122.88 1ynn n ARG 292 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.43 1ynn n ARG 292 Cb 0.49 -0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.83 1ynn n ARG 292 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ynn n PHE 293 N 0.00 0.90 0.00 2.89 -0.00 -1.26 -4.02 117.46 115.97 1ynn n PHE 293 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1ynn n PHE 293 Cb 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 39.48 37.02 1ynn n PHE 293 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1ynn n GLU 294 N 8.57 0.00 -2.67 -4.13 -0.00 -1.25 -4.92 120.64 116.24 1ynn n GLU 294 Ca 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.64 1ynn n GLU 294 Cb 0.18 -0.09 0.04 0.00 -0.00 0.00 0.00 31.44 31.57 1ynn n GLU 294 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1ynn n ASP 295 N -1.90 2.09 0.00 -1.84 5.75 -1.26 -4.97 116.55 114.43 1ynn n ASP 295 Ca 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 1ynn n ASP 295 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1ynn n ASP 295 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ynn n GLY 296 N -0.41 2.31 3.94 6.12 0.00 -1.26 -5.08 105.19 110.82 1ynn n GLY 296 Ca 0.14 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1ynn n GLY 296 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ynn s GLU 297 N 0.00 1.33 -0.28 1.61 -1.05 -1.26 -4.91 118.70 114.13 1ynn s GLU 297 Ca 0.00 -0.50 -0.04 0.00 -0.15 0.00 0.00 54.97 54.28 1ynn s GLU 297 Cb 0.00 -2.04 0.02 0.00 -0.44 0.00 0.00 34.13 31.68 1ynn s GLU 297 CO 0.00 -1.87 0.02 -0.06 0.95 0.00 0.00 175.26 174.30 1ynn s PHE 298 N -3.55 3.14 -0.04 4.83 0.40 -1.26 -3.89 117.98 117.61 1ynn s PHE 298 Ca 0.68 -1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.54 1ynn s PHE 298 Cb -0.06 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 1ynn s PHE 298 CO 0.49 -0.68 0.33 -1.59 0.70 0.00 0.00 175.22 174.47 1ynn s LYS 299 N 1.40 3.80 0.52 0.44 0.00 0.16 -4.26 119.74 121.78 1ynn s LYS 299 Ca 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 55.97 56.04 1ynn s LYS 299 Cb -0.17 -3.22 -0.07 0.00 0.00 0.00 0.00 37.83 34.36 1ynn s LYS 299 CO -0.01 0.70 1.02 0.34 0.00 0.00 0.00 175.35 177.40 1ynn s ASP 300 N -1.01 6.33 0.00 0.03 3.68 -1.26 -0.13 116.67 124.32 1ynn s ASP 300 Ca 0.21 1.77 0.00 0.00 2.13 0.00 0.00 52.55 56.66 1ynn s ASP 300 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 1ynn s ASP 300 CO 0.10 -0.79 0.00 -0.62 0.13 0.00 0.00 175.17 174.00 1ynn n GLU 301 N -1.38 0.00 0.00 4.34 -0.58 -1.26 -4.61 120.64 117.14 1ynn n GLU 301 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1ynn n GLU 301 Cb 0.53 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 1ynn n GLU 301 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ynn n VAL 302 N -1.51 0.00 -0.14 2.62 0.31 -1.26 -4.86 118.33 113.49 1ynn n VAL 302 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1ynn n VAL 302 Cb 0.00 -0.62 0.02 0.00 -0.91 0.00 0.00 33.84 32.33 1ynn n VAL 302 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1ynn h PHE 303 N 0.00 0.47 0.28 3.52 -1.00 -1.96 -2.89 116.94 115.36 1ynn h PHE 303 Ca 0.00 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1ynn h PHE 303 Cb 0.83 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1ynn h PHE 303 CO 0.00 0.26 -0.13 1.25 -1.61 0.00 0.00 178.31 178.08 1ynn h LEU 304 N 0.50 -0.32 -2.42 1.54 5.85 -1.99 -2.26 115.31 116.22 1ynn h LEU 304 Ca 0.18 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1ynn h LEU 304 Cb 0.03 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1ynn h LEU 304 CO -0.09 0.08 -0.02 1.55 -0.34 0.00 0.00 178.44 179.62 1ynn h PRO 305 N -0.77 0.00 0.59 5.25 0.13 -1.91 0.44 132.00 135.73 1ynn h PRO 305 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1ynn h PRO 305 Cb 0.50 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.64 1ynn h PRO 305 CO 0.06 0.02 -0.28 1.15 -0.23 0.00 0.00 178.00 178.73 1ynn h THR 306 N 0.00 0.00 -1.01 1.56 2.02 -1.49 -0.70 112.91 113.28 1ynn h THR 306 Ca -0.00 -0.24 0.28 0.00 0.77 0.00 0.00 66.41 67.22 1ynn h THR 306 Cb 0.17 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.52 1ynn h THR 306 CO 0.00 0.00 0.70 0.25 0.37 0.00 0.00 175.52 176.85 1ynn h LEU 307 N -1.02 0.17 0.74 2.58 5.85 -0.38 0.23 115.31 123.47 1ynn h LEU 307 Ca -0.08 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1ynn h LEU 307 Cb 0.60 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1ynn h LEU 307 CO 0.13 0.04 -0.36 -0.09 -0.34 0.00 0.00 178.44 177.83 1ynn h ARG 308 N 0.15 -0.96 -0.53 1.25 2.43 -0.22 -2.42 114.38 114.08 1ynn h ARG 308 Ca 0.51 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.81 1ynn h ARG 308 Cb 1.74 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 31.45 1ynn h ARG 308 CO -0.10 -0.63 0.22 -0.92 -1.51 0.00 0.00 179.97 177.03 1ynn h TYR 309 N -1.25 0.40 -0.37 2.20 5.03 0.56 0.23 116.97 123.77 1ynn h TYR 309 Ca -0.10 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.30 1ynn h TYR 309 Cb 0.77 -0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.89 1ynn h TYR 309 CO 0.00 0.15 -0.05 1.25 -1.32 0.00 0.00 178.16 178.20 1ynn h LEU 310 N 0.43 -0.25 -0.48 2.82 5.85 -0.72 -2.66 115.31 120.30 1ynn h LEU 310 Ca 0.25 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 1ynn h LEU 310 Cb 0.24 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1ynn h LEU 310 CO -0.22 -0.08 0.17 -0.26 -0.34 0.00 0.00 178.44 177.70 1ynn h PHE 311 N 0.05 0.74 0.00 1.25 0.05 -0.61 -1.58 116.94 116.84 1ynn h PHE 311 Ca 0.18 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.90 1ynn h PHE 311 Cb 0.26 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 37.99 1ynn h PHE 311 CO -0.29 0.64 0.00 0.00 -0.18 0.00 0.00 178.31 178.48 1ynn n ALA 312 N -2.34 2.13 -1.35 2.45 0.00 0.65 -2.79 120.51 119.25 1ynn n ALA 312 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ynn n ALA 312 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ynn n ALA 312 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ynn n LEU 313 N 0.66 0.00 -3.07 0.00 7.94 -0.59 -3.11 117.00 118.82 1ynn n LEU 313 Ca 0.00 -0.33 -0.26 0.00 -1.11 0.00 0.00 56.01 54.31 1ynn n LEU 313 Cb 0.31 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.21 1ynn n LEU 313 CO 0.00 0.11 0.08 0.41 -1.11 0.00 0.00 177.39 176.88 1ynn n THR 314 N 0.00 2.44 0.00 1.96 -1.04 -1.12 -4.78 114.28 111.74 1ynn n THR 314 Ca 0.00 -5.35 0.00 0.00 -2.04 0.00 0.00 64.05 56.66 1ynn n THR 314 Cb 0.56 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1ynn n THR 314 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ynn n ALA 315 N 0.09 0.00 -0.77 2.41 0.00 -1.26 -4.90 120.51 116.08 1ynn n ALA 315 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.79 1ynn n ALA 315 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1ynn n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ynn n GLY 316 N 0.00 -0.76 3.74 0.00 0.00 -1.26 -4.84 105.19 102.07 1ynn n GLY 316 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1ynn n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ynn s VAL 317 N -3.33 3.05 0.08 1.61 1.01 -1.18 -4.94 120.40 116.70 1ynn s VAL 317 Ca 0.00 0.87 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 1ynn s VAL 317 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1ynn s VAL 317 CO 0.00 0.13 1.69 -2.84 0.00 0.00 0.00 175.10 174.08 1ynn s PRO 318 N -0.22 4.18 0.00 2.72 0.02 -1.26 -1.41 135.00 139.03 1ynn s PRO 318 Ca 0.57 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1ynn s PRO 318 Cb -0.38 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 30.56 1ynn s PRO 318 CO 0.40 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1ynn n GLY 319 N 4.04 2.62 3.63 0.52 0.00 -1.26 -5.05 105.19 109.69 1ynn n GLY 319 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ynn n GLY 319 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ynn s HIS 320 N -2.40 3.04 0.01 1.61 3.76 -0.50 -5.02 115.29 115.79 1ynn s HIS 320 Ca 0.00 1.09 -0.02 0.00 -0.15 0.00 0.00 55.06 55.99 1ynn s HIS 320 Cb 0.00 -3.80 -0.01 0.00 1.11 0.00 0.00 32.58 29.88 1ynn s HIS 320 CO 0.00 -0.98 0.02 -1.21 -0.85 0.00 0.00 174.74 171.72 1ynn s GLU 321 N 3.82 0.26 0.90 1.40 8.01 -1.26 -4.89 118.70 126.94 1ynn s GLU 321 Ca 0.47 -0.37 -0.12 0.00 0.01 0.00 0.00 54.97 54.96 1ynn s GLU 321 Cb -0.12 0.10 0.07 0.00 -4.31 0.00 0.00 34.13 29.87 1ynn s GLU 321 CO 0.18 -0.05 0.77 1.33 0.01 0.00 0.00 175.26 177.51 1ynn n VAL 322 N 2.01 0.50 -3.89 2.63 0.24 -1.26 -5.01 118.33 113.55 1ynn n VAL 322 Ca -0.20 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.34 61.62 1ynn n VAL 322 Cb 0.57 -0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 32.05 1ynn n VAL 322 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1ynn s ASP 323 N -2.17 6.38 -0.98 -1.34 1.01 -1.26 -4.97 116.67 113.34 1ynn s ASP 323 Ca 0.63 0.34 -0.15 0.00 0.71 0.00 0.00 52.55 54.09 1ynn s ASP 323 Cb -0.24 -2.00 0.19 0.00 1.01 0.00 0.00 42.92 41.88 1ynn s ASP 323 CO 0.61 0.22 1.07 -0.62 0.21 0.00 0.00 175.17 176.67 1ynn s ASP 324 N -2.14 6.88 0.00 0.27 2.15 -1.26 -4.69 116.67 117.88 1ynn s ASP 324 Ca 0.30 -2.70 0.00 0.00 0.43 0.00 0.00 52.55 50.58 1ynn s ASP 324 Cb -0.13 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ynn s ASP 324 CO 0.22 -0.71 0.13 2.30 -0.17 0.00 0.00 175.17 176.94 1ynn n ILE 325 N 4.37 0.00 0.00 4.11 -5.35 -1.26 -0.80 119.36 120.42 1ynn n ILE 325 Ca 0.23 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.72 1ynn n ILE 325 Cb 0.45 -0.66 -0.01 0.00 -1.74 0.00 0.00 39.64 37.69 1ynn n ILE 325 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ynn n ASP 326 N -0.57 4.51 -4.72 7.28 8.00 -1.26 -4.96 116.55 124.83 1ynn n ASP 326 Ca 0.00 -0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 1ynn n ASP 326 Cb 0.00 1.04 -0.01 0.00 -0.02 0.00 0.00 41.12 42.13 1ynn n ASP 326 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1ynn n HIS 327 N -1.51 2.56 1.23 1.24 -0.00 0.02 -4.85 115.22 113.91 1ynn n HIS 327 Ca -0.00 0.41 0.04 0.00 0.46 0.00 0.00 57.72 58.63 1ynn n HIS 327 Cb 0.02 -2.50 0.23 0.00 -0.12 0.00 0.00 29.99 27.62 1ynn n HIS 327 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1ynn n LEU 328 N 1.49 0.00 -0.43 0.27 4.32 -1.26 -1.04 117.00 120.35 1ynn n LEU 328 Ca 0.07 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.20 1ynn n LEU 328 Cb 0.36 0.00 0.49 0.00 -1.62 0.00 0.00 43.42 42.64 1ynn n LEU 328 CO 0.63 0.00 0.82 0.61 -1.22 0.00 0.00 177.39 178.23 1ynn n GLY 329 N 0.16 -0.13 0.14 -0.72 0.00 -1.26 -3.90 105.19 99.48 1ynn n GLY 329 Ca 0.06 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1ynn n GLY 329 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ynn n ASN 330 N -0.00 0.95 -4.05 1.61 3.02 -0.20 -4.94 115.26 111.65 1ynn n ASN 330 Ca 0.17 -1.91 -0.31 0.00 -0.03 0.00 0.00 54.58 52.51 1ynn n ASN 330 Cb 0.36 -0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 39.23 1ynn n ASN 330 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ynn s ARG 331 N -0.81 2.45 0.25 3.52 1.81 -1.17 -0.96 118.95 124.04 1ynn s ARG 331 Ca 0.06 -0.72 0.09 0.00 -1.72 0.00 0.00 55.73 53.44 1ynn s ARG 331 Cb 0.06 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 32.19 1ynn s ARG 331 CO 0.01 -0.28 0.05 -0.98 -0.68 0.00 0.00 175.30 173.42 1ynn s ARG 332 N 1.40 2.47 -0.13 3.54 1.70 -0.78 -4.67 118.95 122.49 1ynn s ARG 332 Ca 0.03 -1.29 -0.07 0.00 -0.47 0.00 0.00 55.73 53.93 1ynn s ARG 332 Cb -0.14 -2.29 -0.04 0.00 -0.57 0.00 0.00 34.95 31.91 1ynn s ARG 332 CO -0.11 0.38 0.14 0.42 -1.08 0.00 0.00 175.30 175.05 1ynn s ILE 333 N -2.21 5.47 -0.39 4.99 -1.09 0.51 -2.71 121.20 125.77 1ynn s ILE 333 Ca 0.31 0.20 -0.11 0.00 -2.23 0.00 0.00 60.65 58.82 1ynn s ILE 333 Cb -0.07 -3.39 0.04 0.00 -1.58 0.00 0.00 42.46 37.46 1ynn s ILE 333 CO 0.21 0.60 0.23 -0.13 -1.23 0.00 0.00 174.94 174.62 1ynn s ARG 334 N -0.87 2.79 0.79 2.79 0.52 0.19 -4.57 118.95 120.58 1ynn s ARG 334 Ca 0.14 -1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 54.06 1ynn s ARG 334 Cb -0.12 -3.77 0.06 0.00 0.52 0.00 0.00 34.95 31.64 1ynn s ARG 334 CO 0.03 -0.77 1.11 0.95 0.02 0.00 0.00 175.30 176.63 1ynn s THR 335 N 1.54 3.00 0.00 0.02 -4.23 -1.26 -2.72 115.64 111.99 1ynn s THR 335 Ca 0.02 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1ynn s THR 335 Cb -0.20 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1ynn s THR 335 CO 0.06 -0.43 0.91 0.52 -0.54 0.00 0.00 174.62 175.14 1ynn n VAL 336 N -3.36 0.00 -0.25 2.29 0.31 -1.26 -1.39 118.33 114.66 1ynn n VAL 336 Ca 0.07 1.41 0.18 0.00 -0.01 0.00 0.00 64.34 65.98 1ynn n VAL 336 Cb 0.57 -1.95 0.33 0.00 -0.91 0.00 0.00 33.84 31.88 1ynn n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ynn n GLY 337 N -0.99 -0.79 0.28 2.92 0.00 -1.26 0.13 105.19 105.47 1ynn n GLY 337 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 1ynn n GLY 337 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ynn h GLU 338 N 0.00 1.00 -0.10 1.61 4.81 -1.59 -1.32 114.58 118.99 1ynn h GLU 338 Ca 0.55 -0.41 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 1ynn h GLU 338 Cb 1.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1ynn h GLU 338 CO -0.64 1.09 -0.77 -0.07 -0.73 0.00 0.00 179.01 177.89 1ynn h LEU 339 N 0.86 0.67 -0.04 1.64 3.38 0.18 -0.64 115.31 121.36 1ynn h LEU 339 Ca 0.12 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ynn h LEU 339 Cb 0.76 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ynn h LEU 339 CO 0.06 1.22 0.01 -0.03 0.09 0.00 0.00 178.44 179.79 1ynn h MET 340 N 0.38 0.07 -0.26 1.13 4.05 -1.16 -1.71 114.93 117.43 1ynn h MET 340 Ca -0.05 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1ynn h MET 340 Cb 1.37 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.15 1ynn h MET 340 CO 0.14 0.28 0.06 0.00 0.23 0.00 0.00 176.91 177.62 1ynn h ALA 341 N 0.79 1.63 -0.08 0.39 0.00 -1.25 0.51 119.26 121.24 1ynn h ALA 341 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ynn h ALA 341 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ynn h ALA 341 CO 0.00 0.29 -0.36 -0.44 0.00 0.00 0.00 179.25 178.74 1ynn h ASP 342 N 0.36 0.17 0.81 0.00 3.32 -0.97 0.46 116.42 120.57 1ynn h ASP 342 Ca 0.09 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 1ynn h ASP 342 Cb 0.15 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1ynn h ASP 342 CO -0.00 0.52 -1.23 -0.61 -1.72 0.00 0.00 179.24 176.19 1ynn h GLN 343 N 0.14 0.04 -0.45 3.56 5.75 -0.29 -3.00 115.11 120.86 1ynn h GLN 343 Ca 0.02 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1ynn h GLN 343 Cb 0.70 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 1ynn h GLN 343 CO 0.05 0.90 0.12 0.35 -2.65 0.00 0.00 178.83 177.60 1ynn h PHE 344 N 0.01 0.67 -0.02 3.99 3.04 0.15 -2.24 116.94 122.54 1ynn h PHE 344 Ca -0.10 -0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.72 1ynn h PHE 344 Cb 1.86 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 40.16 1ynn h PHE 344 CO 0.01 0.57 -0.38 -0.09 -2.02 0.00 0.00 178.31 176.39 1ynn h ARG 345 N 0.65 0.04 -0.26 1.11 2.43 -0.85 -2.84 114.38 114.64 1ynn h ARG 345 Ca 0.15 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.11 1ynn h ARG 345 Cb 0.22 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1ynn h ARG 345 CO -0.01 0.41 -0.60 0.28 -1.51 0.00 0.00 179.97 178.55 1ynn h VAL 346 N 0.03 1.27 0.28 0.20 2.07 -1.28 -2.81 116.25 116.01 1ynn h VAL 346 Ca 0.00 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1ynn h VAL 346 Cb 0.69 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1ynn h VAL 346 CO 0.05 0.58 -0.49 1.23 0.02 0.00 0.00 177.57 178.96 1ynn h GLY 347 N 0.65 -1.20 0.26 2.17 0.00 -1.29 -2.42 103.07 101.25 1ynn h GLY 347 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 47.33 47.97 1ynn h GLY 347 CO 0.13 -0.32 -0.38 1.41 0.00 0.00 0.00 176.54 177.38 1ynn h LEU 348 N -0.82 -1.12 -0.70 3.11 4.07 -1.55 0.21 115.31 118.51 1ynn h LEU 348 Ca -0.03 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1ynn h LEU 348 Cb 0.76 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1ynn h LEU 348 CO -0.17 -0.44 0.16 0.00 -1.08 0.00 0.00 178.44 176.91 1ynn n ALA 349 N -2.81 0.77 -0.06 1.53 0.00 -1.06 0.17 120.51 119.05 1ynn n ALA 349 Ca -0.06 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1ynn n ALA 349 Cb 0.36 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 1ynn n ALA 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ynn n ARG 350 N -1.86 0.68 -0.28 0.00 3.00 0.54 -3.72 116.66 115.02 1ynn n ARG 350 Ca -0.01 0.29 -0.04 0.00 -0.01 0.00 0.00 57.85 58.09 1ynn n ARG 350 Cb 0.18 -1.65 0.07 0.00 0.00 0.00 0.00 32.46 31.06 1ynn n ARG 350 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ynn h LEU 351 N -0.26 0.86 -0.06 0.55 5.85 0.16 -2.48 115.31 119.93 1ynn h LEU 351 Ca -0.48 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.25 1ynn h LEU 351 Cb 1.82 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 1ynn h LEU 351 CO -0.06 0.62 -0.09 0.00 -0.34 0.00 0.00 178.44 178.56 1ynn h ALA 352 N 1.29 -0.05 -0.92 1.25 0.00 -0.47 0.26 119.26 120.63 1ynn h ALA 352 Ca 0.29 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.38 1ynn h ALA 352 Cb -0.08 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1ynn h ALA 352 CO -0.08 -0.57 0.53 -0.09 0.00 0.00 0.00 179.25 179.05 1ynn h ARG 353 N -0.13 0.73 -0.11 0.00 2.43 -1.60 0.33 114.38 116.03 1ynn h ARG 353 Ca 0.06 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ynn h ARG 353 Cb 0.21 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1ynn h ARG 353 CO -0.14 0.48 0.02 0.78 -1.51 0.00 0.00 179.97 179.60 1ynn h GLY 354 N 0.75 0.20 0.83 2.80 0.00 -0.89 -2.90 103.07 103.86 1ynn h GLY 354 Ca 0.50 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.72 1ynn h GLY 354 CO -0.34 0.13 0.34 -2.08 0.00 0.00 0.00 176.54 174.58 1ynn h VAL 355 N -0.05 1.04 -0.75 4.60 2.07 0.50 -2.27 116.25 121.39 1ynn h VAL 355 Ca 0.03 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.43 1ynn h VAL 355 Cb 0.30 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1ynn h VAL 355 CO 0.00 0.12 0.49 0.03 0.02 0.00 0.00 177.57 178.23 1ynn h ARG 356 N 0.66 0.60 -0.00 1.57 3.08 -0.37 -2.10 114.38 117.82 1ynn h ARG 356 Ca 0.24 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 60.08 1ynn h ARG 356 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1ynn h ARG 356 CO -0.12 0.40 -0.80 1.49 -1.07 0.00 0.00 179.97 179.87 1ynn h GLU 357 N 0.62 0.09 0.17 0.04 4.81 -1.20 -3.35 114.58 115.76 1ynn h GLU 357 Ca 0.35 -0.09 -0.35 0.00 -0.13 0.00 0.00 59.36 59.13 1ynn h GLU 357 Cb 0.52 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ynn h GLU 357 CO -0.13 0.84 -1.80 0.00 -0.73 0.00 0.00 179.01 177.19 1ynn h ARG 358 N 0.05 0.36 -0.82 1.92 3.08 -1.16 -3.19 114.38 114.63 1ynn h ARG 358 Ca -0.02 -0.61 0.16 0.00 0.07 0.00 0.00 59.98 59.58 1ynn h ARG 358 Cb 1.40 0.23 -0.10 0.00 0.08 0.00 0.00 29.97 31.58 1ynn h ARG 358 CO 0.11 1.28 0.36 0.52 -1.07 0.00 0.00 179.97 181.17 1ynn h MET 359 N 0.10 0.47 -0.53 0.04 2.86 -1.59 -1.24 114.93 115.04 1ynn h MET 359 Ca -0.36 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 1ynn h MET 359 Cb 2.08 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.61 1ynn h MET 359 CO 0.16 0.31 0.24 0.28 1.06 0.00 0.00 176.91 178.95 1ynn h VAL 360 N 0.48 1.21 0.11 -2.22 2.07 -1.69 -3.33 116.25 112.88 1ynn h VAL 360 Ca 0.47 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1ynn h VAL 360 Cb 0.75 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ynn h VAL 360 CO -0.43 0.24 -0.05 0.24 0.02 0.00 0.00 177.57 177.59 1ynn h MET 361 N 0.71 -0.14 -7.15 1.57 2.07 -1.25 -3.46 114.93 107.27 1ynn h MET 361 Ca 0.18 0.01 -0.52 0.00 -2.07 0.00 0.00 59.70 57.30 1ynn h MET 361 Cb 0.15 0.03 0.20 0.00 -1.87 0.00 0.00 31.60 30.12 1ynn h MET 361 CO -0.02 -0.09 0.02 0.41 1.07 0.00 0.00 176.91 178.30 1ynn n GLY 362 N -0.48 -0.86 3.69 8.32 0.00 -0.59 -4.94 105.19 110.33 1ynn n GLY 362 Ca -0.02 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1ynn n GLY 362 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ynn s SER 363 N -2.48 6.90 0.00 1.61 0.15 -1.26 -4.91 113.70 113.71 1ynn s SER 363 Ca 0.65 2.08 0.03 0.00 0.70 0.00 0.00 55.95 59.41 1ynn s SER 363 Cb -0.23 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 1ynn s SER 363 CO 0.61 -0.66 1.01 -2.65 1.20 0.00 0.00 173.24 172.75 1ynn n PRO 364 N 5.02 0.01 0.00 5.44 -0.02 -1.26 -1.74 135.00 142.45 1ynn n PRO 364 Ca 0.12 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1ynn n PRO 364 Cb 0.44 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.44 1ynn n PRO 364 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ynn n ASP 365 N -1.42 1.64 -0.10 2.55 10.43 -1.26 -4.43 116.55 123.96 1ynn n ASP 365 Ca 0.01 -1.32 -0.13 0.00 2.57 0.00 0.00 54.79 55.92 1ynn n ASP 365 Cb 0.03 0.34 -0.15 0.00 1.84 0.00 0.00 41.12 43.18 1ynn n ASP 365 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1ynn n THR 366 N 0.08 1.44 -2.05 -3.53 -1.04 -0.71 -4.99 114.28 103.49 1ynn n THR 366 Ca 0.06 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.05 60.89 1ynn n THR 366 Cb 0.30 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 1ynn n THR 366 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ynn s LEU 367 N -5.89 4.31 0.00 -4.42 1.43 -1.18 -5.02 118.68 107.91 1ynn s LEU 367 Ca -0.18 2.20 0.05 0.00 -1.03 0.00 0.00 54.13 55.17 1ynn s LEU 367 Cb 0.07 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.80 1ynn s LEU 367 CO 0.75 -0.89 0.38 0.35 0.23 0.00 0.00 176.35 177.18 1ynn n THR 368 N 5.32 0.00 -1.83 5.49 -2.24 -1.26 -5.05 114.28 114.71 1ynn n THR 368 Ca 0.16 -1.69 -0.29 0.00 -2.27 0.00 0.00 64.05 59.96 1ynn n THR 368 Cb 0.43 -0.22 0.15 0.00 -2.10 0.00 0.00 70.33 68.59 1ynn n THR 368 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1ynn s PRO 369 N -3.84 1.12 0.00 -0.78 0.02 -1.26 -3.42 135.00 126.83 1ynn s PRO 369 Ca 0.29 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.20 1ynn s PRO 369 Cb -0.02 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1ynn s PRO 369 CO 0.19 -2.14 0.00 0.00 -0.33 0.00 0.00 177.00 174.72 1ynn n ALA 370 N -3.64 0.00 0.71 -1.55 0.00 -1.26 -4.49 120.51 110.28 1ynn n ALA 370 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1ynn n ALA 370 Cb 0.60 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.40 1ynn n ALA 370 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ynn n LYS 371 N 0.00 0.20 -0.03 0.00 5.02 -1.25 -3.94 118.16 118.16 1ynn n LYS 371 Ca 0.00 0.11 0.02 0.00 -2.02 0.00 0.00 58.31 56.43 1ynn n LYS 371 Cb 0.00 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.22 1ynn n LYS 371 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ynn n LEU 372 N -2.01 0.00 -4.79 -0.35 4.77 -1.22 -4.93 117.00 108.47 1ynn n LEU 372 Ca 0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 1ynn n LEU 372 Cb 0.41 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1ynn n LEU 372 CO 0.32 0.11 0.33 -0.69 -1.33 0.00 0.00 177.39 176.13 1ynn s VAL 373 N -2.75 4.68 -0.06 4.08 1.01 -1.25 -4.49 120.40 121.61 1ynn s VAL 373 Ca -0.06 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 1ynn s VAL 373 Cb 0.07 -3.97 -0.30 0.00 0.00 0.00 0.00 36.38 32.18 1ynn s VAL 373 CO 0.56 0.52 0.71 0.78 0.00 0.00 0.00 175.10 177.67 1ynn h ASN 374 N 4.68 0.51 -0.89 3.32 2.35 -1.90 -3.47 115.58 120.19 1ynn h ASN 374 Ca -0.48 -0.90 -0.28 0.00 -0.55 0.00 0.00 56.30 54.08 1ynn h ASN 374 Cb 1.21 -0.17 -0.11 0.00 0.05 0.00 0.00 38.32 39.30 1ynn h ASN 374 CO 0.65 1.62 -0.26 -0.24 -1.65 0.00 0.00 177.43 177.56 1ynn n SER 375 N -3.87 -4.81 0.00 5.81 2.88 -1.26 -4.77 113.62 107.60 1ynn n SER 375 Ca -0.22 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1ynn n SER 375 Cb 0.95 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 60.44 1ynn n SER 375 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ynn n ARG 376 N -1.50 0.00 -0.10 -1.46 3.00 -1.26 -4.47 116.66 110.87 1ynn n ARG 376 Ca -0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.67 1ynn n ARG 376 Cb 0.55 -0.90 -0.03 0.00 0.00 0.00 0.00 32.46 32.09 1ynn n ARG 376 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1ynn h PRO 377 N 0.00 -0.05 -0.26 -0.14 0.11 -1.91 -0.15 132.00 129.60 1ynn h PRO 377 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.13 1ynn h PRO 377 Cb 0.94 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1ynn h PRO 377 CO 0.00 -0.03 0.14 1.25 -0.21 0.00 0.00 178.00 179.15 1ynn h LEU 378 N -0.05 0.21 -0.88 2.35 5.85 -1.77 0.10 115.31 121.13 1ynn h LEU 378 Ca 0.04 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.96 1ynn h LEU 378 Cb 0.15 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.03 1ynn h LEU 378 CO -0.25 0.16 0.41 -0.08 -0.34 0.00 0.00 178.44 178.34 1ynn h GLU 379 N 0.29 0.47 0.04 1.25 4.57 -1.69 -0.94 114.58 118.56 1ynn h GLU 379 Ca 0.10 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.05 1ynn h GLU 379 Cb 0.02 -0.11 0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1ynn h GLU 379 CO -0.06 0.31 -0.82 0.00 -1.18 0.00 0.00 179.01 177.26 1ynn h ALA 380 N 1.65 0.05 -0.60 2.92 0.00 -0.19 -2.72 119.26 120.37 1ynn h ALA 380 Ca 0.52 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ynn h ALA 380 Cb 0.90 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1ynn h ALA 380 CO -0.46 0.47 0.13 0.00 0.00 0.00 0.00 179.25 179.38 1ynn h ALA 381 N 0.30 1.09 -0.03 0.00 0.00 -0.28 0.24 119.26 120.58 1ynn h ALA 381 Ca -0.11 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 1ynn h ALA 381 Cb 1.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ynn h ALA 381 CO 0.16 0.60 -0.83 -0.07 0.00 0.00 0.00 179.25 179.11 1ynn h LEU 382 N 0.91 0.39 0.26 0.00 4.07 -1.31 -3.00 115.31 116.63 1ynn h LEU 382 Ca 0.19 -0.29 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1ynn h LEU 382 Cb 0.36 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1ynn h LEU 382 CO 0.00 1.06 -0.12 -0.09 -1.08 0.00 0.00 178.44 178.21 1ynn h ARG 383 N 0.19 -0.33 -0.76 1.13 2.43 -1.10 -3.06 114.38 112.88 1ynn h ARG 383 Ca -0.05 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1ynn h ARG 383 Cb 1.43 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.97 1ynn h ARG 383 CO 0.14 -0.13 0.33 1.49 -1.51 0.00 0.00 179.97 180.29 1ynn h GLU 384 N -0.48 0.48 0.37 0.20 4.57 -0.58 -2.54 114.58 116.60 1ynn h GLU 384 Ca -0.04 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1ynn h GLU 384 Cb 0.36 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1ynn h GLU 384 CO 0.06 0.32 -0.18 0.35 -1.18 0.00 0.00 179.01 178.38 1ynn h PHE 385 N 0.50 -0.46 -0.37 0.92 3.57 -1.47 0.78 116.94 120.42 1ynn h PHE 385 Ca 0.41 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.01 1ynn h PHE 385 Cb 0.59 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1ynn h PHE 385 CO -0.14 -0.29 0.30 0.74 -2.23 0.00 0.00 178.31 176.69 1ynn h PHE 386 N -0.59 0.00 0.13 0.41 -1.00 -1.54 -2.15 116.94 112.21 1ynn h PHE 386 Ca -0.05 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.37 1ynn h PHE 386 Cb 0.38 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1ynn h PHE 386 CO 0.10 0.00 -1.95 1.03 -1.61 0.00 0.00 178.31 175.88 1ynn h SER 387 N 0.00 0.44 0.00 2.17 0.87 -1.46 -3.45 113.55 112.12 1ynn h SER 387 Ca 0.17 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 1ynn h SER 387 Cb 0.78 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1ynn h SER 387 CO -0.00 1.85 -0.69 0.54 -0.53 0.00 0.00 176.83 178.00 1ynn n ARG 388 N -3.52 2.78 -2.55 2.24 3.00 0.26 -5.03 116.66 113.86 1ynn n ARG 388 Ca -0.31 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.85 57.11 1ynn n ARG 388 Cb 1.05 -0.88 -0.04 0.00 0.00 0.00 0.00 32.46 32.59 1ynn n ARG 388 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ynn s SER 389 N -1.87 7.34 0.59 0.55 0.15 -0.84 -4.91 113.70 114.71 1ynn s SER 389 Ca -0.00 2.11 0.29 0.00 0.70 0.00 0.00 55.95 59.04 1ynn s SER 389 Cb 0.02 -2.61 1.43 0.00 -1.71 0.00 0.00 66.02 63.15 1ynn s SER 389 CO 0.13 -0.13 1.84 1.56 1.20 0.00 0.00 173.24 177.84 1ynn h GLN 390 N 4.59 0.00 -0.00 5.44 4.20 -1.96 0.96 115.11 128.34 1ynn h GLN 390 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1ynn h GLN 390 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1ynn h GLN 390 CO 0.70 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 180.14 1ynn n LEU 391 N -3.67 0.15 -4.21 1.46 4.32 -1.26 -4.46 117.00 109.33 1ynn n LEU 391 Ca 0.10 -0.05 -0.41 0.00 -0.02 0.00 0.00 56.01 55.63 1ynn n LEU 391 Cb 0.76 -0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.49 1ynn n LEU 391 CO 0.27 0.03 0.10 -0.55 -1.22 0.00 0.00 177.39 176.01 1ynn s SER 392 N -1.93 5.83 0.69 -1.43 0.15 0.33 -1.69 113.70 115.64 1ynn s SER 392 Ca 0.44 -2.31 -0.10 0.00 0.70 0.00 0.00 55.95 54.67 1ynn s SER 392 Cb 0.20 -2.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1ynn s SER 392 CO 0.34 -0.59 1.06 -1.10 1.20 0.00 0.00 173.24 174.15 1ynn s GLN 393 N 0.75 2.82 0.00 5.44 -1.52 -0.27 -4.84 119.66 122.04 1ynn s GLN 393 Ca 0.11 0.35 0.00 0.00 -1.95 0.00 0.00 55.36 53.87 1ynn s GLN 393 Cb -0.21 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 30.51 1ynn s GLN 393 CO -0.03 -1.00 0.00 0.34 -0.25 0.00 0.00 175.29 174.35 1ynn n PHE 394 N -2.94 0.00 -3.21 0.91 7.35 -1.26 -2.07 117.46 116.24 1ynn n PHE 394 Ca 0.07 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.80 1ynn n PHE 394 Cb 0.57 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.38 1ynn n PHE 394 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1ynn s LYS 395 N 0.00 0.21 -0.49 -4.13 2.20 -1.25 -1.98 119.74 114.29 1ynn s LYS 395 Ca 0.00 0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 55.76 1ynn s LYS 395 Cb 0.00 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1ynn s LYS 395 CO 0.00 -0.17 2.11 0.34 -0.36 0.00 0.00 175.35 177.27 1ynn s ASP 396 N 2.74 5.01 0.00 1.43 -1.08 -1.26 -4.72 116.67 118.79 1ynn s ASP 396 Ca -0.01 0.89 0.08 0.00 -0.52 0.00 0.00 52.55 53.00 1ynn s ASP 396 Cb -0.08 -2.52 0.09 0.00 -1.46 0.00 0.00 42.92 38.95 1ynn s ASP 396 CO -0.13 -2.47 0.83 1.21 0.52 0.00 0.00 175.17 175.12 1ynn n GLU 397 N 8.99 0.57 -0.18 4.34 2.13 -1.26 -0.74 120.64 134.49 1ynn n GLU 397 Ca 0.28 -1.13 -0.09 0.00 0.66 0.00 0.00 57.16 56.88 1ynn n GLU 397 Cb 0.52 -1.16 -0.04 0.00 0.27 0.00 0.00 31.44 31.03 1ynn n GLU 397 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1ynn h THR 398 N 1.57 0.09 -3.43 6.31 2.02 -1.85 -3.41 112.91 114.20 1ynn h THR 398 Ca 0.00 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.80 1ynn h THR 398 Cb 0.39 0.09 -0.14 0.00 -1.74 0.00 0.00 68.15 66.75 1ynn h THR 398 CO 0.00 0.00 -0.63 0.54 0.37 0.00 0.00 175.52 175.80 1ynn s ASN 399 N -5.13 1.64 0.59 4.18 4.22 -1.26 -4.53 114.94 114.65 1ynn s ASN 399 Ca -0.14 -1.31 0.29 0.00 -2.14 0.00 0.00 52.86 49.55 1ynn s ASN 399 Cb 0.13 0.06 1.70 0.00 1.28 0.00 0.00 41.25 44.41 1ynn s ASN 399 CO 0.66 -0.62 2.15 1.55 -2.04 0.00 0.00 177.10 178.79 1ynn h PRO 400 N 2.38 0.00 -0.32 3.55 0.13 -1.94 -0.76 132.00 135.04 1ynn h PRO 400 Ca -0.39 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.57 1ynn h PRO 400 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ynn h PRO 400 CO 0.64 0.00 -0.46 1.25 -0.23 0.00 0.00 178.00 179.20 1ynn h LEU 401 N 0.00 0.94 0.08 1.56 5.85 -1.94 -3.13 115.31 118.67 1ynn h LEU 401 Ca 0.06 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1ynn h LEU 401 Cb 0.34 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1ynn h LEU 401 CO -0.00 1.25 -0.39 0.28 -0.34 0.00 0.00 178.44 179.24 1ynn h SER 402 N 0.69 -1.16 -0.37 1.25 0.02 -1.40 0.39 113.55 112.96 1ynn h SER 402 Ca 0.04 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1ynn h SER 402 Cb 1.06 0.44 -0.09 0.00 0.14 0.00 0.00 62.40 63.95 1ynn h SER 402 CO 0.11 -0.46 -0.32 0.77 -1.14 0.00 0.00 176.83 175.78 1ynn h SER 403 N -0.60 -1.06 -0.16 3.07 4.64 -0.89 0.93 113.55 119.47 1ynn h SER 403 Ca 0.03 0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.58 1ynn h SER 403 Cb 0.65 0.50 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 1ynn h SER 403 CO -0.25 -0.32 -0.50 0.25 -0.87 0.00 0.00 176.83 175.14 1ynn h LEU 404 N -0.26 -1.58 -0.80 5.97 5.85 -1.34 -0.66 115.31 122.49 1ynn h LEU 404 Ca 0.16 0.20 0.18 0.00 0.84 0.00 0.00 57.88 59.27 1ynn h LEU 404 Cb 0.54 0.63 -0.14 0.00 0.37 0.00 0.00 40.66 42.05 1ynn h LEU 404 CO -0.52 -0.46 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.02 1ynn h ARG 405 N -0.53 0.08 -0.23 1.25 2.43 -0.32 -0.08 114.38 116.98 1ynn h ARG 405 Ca 0.06 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1ynn h ARG 405 Cb 0.66 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1ynn h ARG 405 CO -0.44 0.05 0.20 1.25 -1.51 0.00 0.00 179.97 179.52 1ynn h HIS 406 N 0.08 0.00 0.09 2.20 2.76 0.73 -2.37 115.15 118.63 1ynn h HIS 406 Ca 0.44 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.44 1ynn h HIS 406 Cb 0.78 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.75 1ynn h HIS 406 CO -0.46 0.00 -0.69 0.87 -1.30 0.00 0.00 177.93 176.34 1ynn h LYS 407 N 0.00 0.31 -1.04 5.26 6.56 -0.53 -3.28 116.57 123.86 1ynn h LYS 407 Ca 0.11 -0.46 -0.18 0.00 -1.06 0.00 0.00 60.65 59.06 1ynn h LYS 407 Cb 0.51 0.16 -0.11 0.00 -0.57 0.00 0.00 32.23 32.22 1ynn h LYS 407 CO -0.00 1.18 0.23 2.89 -2.06 0.00 0.00 179.45 181.69 1ynn n ARG 408 N -4.19 1.44 -3.02 3.15 1.85 -0.91 -4.71 116.66 110.27 1ynn n ARG 408 Ca -0.12 -1.04 -0.40 0.00 -1.00 0.00 0.00 57.85 55.28 1ynn n ARG 408 Cb 0.75 -1.41 -0.05 0.00 -1.05 0.00 0.00 32.46 30.70 1ynn n ARG 408 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1ynn s ARG 409 N -1.15 4.46 -0.20 2.89 6.06 -1.07 -1.60 118.95 128.34 1ynn s ARG 409 Ca 0.20 1.00 0.00 0.00 -2.50 0.00 0.00 55.73 54.43 1ynn s ARG 409 Cb 0.17 -3.38 0.02 0.00 0.06 0.00 0.00 34.95 31.82 1ynn s ARG 409 CO 0.04 0.25 -0.15 0.42 -2.50 0.00 0.00 175.30 173.36 1ynn s ILE 410 N 0.08 2.39 0.28 4.11 1.01 0.22 -3.04 121.20 126.24 1ynn s ILE 410 Ca 0.38 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1ynn s ILE 410 Cb -0.20 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1ynn s ILE 410 CO 0.21 0.44 0.28 -0.55 0.00 0.00 0.00 174.94 175.32 1ynn s SER 411 N 1.31 5.64 -0.01 3.58 0.15 -0.46 -1.35 113.70 122.56 1ynn s SER 411 Ca 0.03 -0.26 0.06 0.00 0.70 0.00 0.00 55.95 56.49 1ynn s SER 411 Cb -0.14 -1.35 -0.09 0.00 -1.71 0.00 0.00 66.02 62.73 1ynn s SER 411 CO -0.10 -0.17 0.14 0.00 1.20 0.00 0.00 173.24 174.32 1ynn n ALA 412 N -1.31 2.26 -2.77 5.45 0.00 -0.87 -0.43 120.51 122.84 1ynn n ALA 412 Ca -0.06 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1ynn n ALA 412 Cb 0.58 -0.21 0.04 0.00 0.00 0.00 0.00 19.45 19.86 1ynn n ALA 412 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ynn n LEU 413 N -1.69 0.00 0.00 0.00 4.32 -1.26 -3.59 117.00 114.78 1ynn n LEU 413 Ca -0.01 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 54.95 1ynn n LEU 413 Cb 0.16 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1ynn n LEU 413 CO 0.13 -0.64 0.00 0.61 -1.22 0.00 0.00 177.39 176.27 1ynn n GLY 414 N 1.79 0.32 3.89 -0.72 0.00 -1.24 -4.79 105.19 104.44 1ynn n GLY 414 Ca 0.07 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1ynn n GLY 414 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ynn s PRO 415 N 0.00 3.69 1.18 1.61 0.04 -1.26 -4.32 135.00 135.94 1ynn s PRO 415 Ca 0.00 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1ynn s PRO 415 Cb 0.00 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1ynn s PRO 415 CO 0.00 0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.81 1ynn n GLY 416 N -0.21 0.94 3.54 0.56 0.00 -1.26 -4.44 105.19 104.32 1ynn n GLY 416 Ca -0.01 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 1ynn n GLY 416 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynn n GLY 417 N 0.00 0.58 2.66 -0.02 0.00 -1.26 -4.87 105.19 102.27 1ynn n GLY 417 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 46.02 46.54 1ynn n GLY 417 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ynn s LEU 418 N 9.28 3.00 -0.28 0.99 2.01 -1.26 -3.70 118.68 128.72 1ynn s LEU 418 Ca 1.04 -3.27 -0.17 0.00 0.01 0.00 0.00 54.13 51.74 1ynn s LEU 418 Cb -0.46 -1.03 -0.03 0.00 0.01 0.00 0.00 46.19 44.69 1ynn s LEU 418 CO 0.36 -0.16 0.45 -0.89 1.01 0.00 0.00 176.35 177.13 1ynn s THR 419 N -0.46 5.11 0.43 5.49 2.01 -1.24 -4.98 115.64 122.00 1ynn s THR 419 Ca 0.26 0.67 -0.22 0.00 0.31 0.00 0.00 61.69 62.71 1ynn s THR 419 Cb -0.06 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1ynn s THR 419 CO -0.14 0.08 1.01 0.00 -0.69 0.00 0.00 174.62 174.88 1ynn s ARG 420 N 2.22 4.09 -1.10 4.92 3.03 -1.26 -4.32 118.95 126.53 1ynn s ARG 420 Ca 0.18 1.35 -0.20 0.00 2.03 0.00 0.00 55.73 59.09 1ynn s ARG 420 Cb -0.16 -2.33 -0.07 0.00 -1.03 0.00 0.00 34.95 31.37 1ynn s ARG 420 CO 0.10 -0.18 1.95 0.39 -1.13 0.00 0.00 175.30 176.43 1ynn n GLU 421 N -0.45 2.05 0.00 3.89 1.02 -1.26 -2.81 120.64 123.08 1ynn n GLU 421 Ca 0.07 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 1ynn n GLU 421 Cb 0.52 -3.31 0.00 0.00 -0.02 0.00 0.00 31.44 28.62 1ynn n GLU 421 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ynn n ARG 422 N 7.44 0.00 -3.98 3.49 1.85 -1.26 -5.17 116.66 119.03 1ynn n ARG 422 Ca 0.49 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 57.25 1ynn n ARG 422 Cb 0.43 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.79 1ynn n ARG 422 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ynn s ALA 423 N 0.00 -0.34 0.36 2.89 0.00 -1.12 -5.16 121.76 118.38 1ynn s ALA 423 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1ynn s ALA 423 Cb 0.00 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.17 1ynn s ALA 423 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1ynn n GLY 424 N -0.39 -3.63 1.71 0.00 0.00 -1.26 -5.00 105.19 96.62 1ynn n GLY 424 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ynn n GLY 424 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ynn n PHE 425 N -2.05 -0.81 0.22 1.61 -0.00 -1.26 -4.80 117.46 110.37 1ynn n PHE 425 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1ynn n PHE 425 Cb 0.26 0.43 0.35 0.00 -0.00 0.00 0.00 39.48 40.52 1ynn n PHE 425 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1ynn h ASP 426 N 0.00 0.00 0.95 -2.13 5.19 -1.97 -2.26 116.42 116.20 1ynn h ASP 426 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ynn h ASP 426 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ynn h ASP 426 CO 0.00 0.14 0.00 0.58 -3.12 0.00 0.00 179.24 176.84 1ynn h VAL 427 N 0.00 0.00 0.07 -1.35 2.07 -1.96 -3.03 116.25 112.05 1ynn h VAL 427 Ca -0.00 -0.32 -0.36 0.00 0.82 0.00 0.00 66.70 66.83 1ynn h VAL 427 Cb 0.87 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1ynn h VAL 427 CO 0.02 0.00 -2.10 0.54 0.02 0.00 0.00 177.57 176.04 1ynn n ARG 428 N -2.33 0.71 -1.63 1.57 1.74 -0.93 -4.72 116.66 111.07 1ynn n ARG 428 Ca 0.03 0.22 -0.40 0.00 -0.77 0.00 0.00 57.85 56.94 1ynn n ARG 428 Cb 0.29 -1.66 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1ynn n ARG 428 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ynn n ASP 429 N -3.33 1.25 -4.64 0.55 8.00 -0.89 -4.44 116.55 113.05 1ynn n ASP 429 Ca -0.34 0.94 -0.43 0.00 0.71 0.00 0.00 54.79 55.68 1ynn n ASP 429 Cb 1.04 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 1ynn n ASP 429 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ynn s VAL 430 N -1.38 4.20 0.02 2.53 0.11 -1.26 -5.00 120.40 119.62 1ynn s VAL 430 Ca 0.68 1.37 -0.25 0.00 -2.93 0.00 0.00 61.98 60.86 1ynn s VAL 430 Cb -0.48 -4.15 -0.05 0.00 -1.53 0.00 0.00 36.38 30.17 1ynn s VAL 430 CO 0.53 -0.41 0.76 -2.28 -3.33 0.00 0.00 175.10 170.36 1ynn s HIS 431 N 4.16 3.70 -0.16 1.54 2.46 -1.26 -5.00 115.29 120.74 1ynn s HIS 431 Ca 0.55 1.44 -0.38 0.00 0.47 0.00 0.00 55.06 57.15 1ynn s HIS 431 Cb -0.17 -2.83 -0.14 0.00 -0.13 0.00 0.00 32.58 29.31 1ynn s HIS 431 CO 0.21 0.23 1.74 -2.13 -2.47 0.00 0.00 174.74 172.32 1ynn n ARG 432 N 3.02 1.54 0.00 2.88 0.63 -1.26 0.01 116.66 123.49 1ynn n ARG 432 Ca -0.02 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 1ynn n ARG 432 Cb 0.50 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1ynn n ARG 432 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1ynn n THR 433 N 4.51 0.00 0.15 5.15 5.66 -1.26 -4.88 114.28 123.61 1ynn n THR 433 Ca 0.24 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.26 1ynn n THR 433 Cb 0.20 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.19 1ynn n THR 433 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 1ynn h HIS 434 N 0.00 0.00 0.00 1.09 3.86 -0.72 -3.41 115.15 115.97 1ynn h HIS 434 Ca 0.00 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.48 1ynn h HIS 434 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1ynn h HIS 434 CO 0.00 0.53 1.34 0.98 0.86 0.00 0.00 177.93 181.64 1ynn n TYR 435 N -3.58 1.08 0.00 2.45 9.36 -1.26 0.51 117.16 125.72 1ynn n TYR 435 Ca -0.00 0.72 0.00 0.00 3.32 0.00 0.00 57.90 61.93 1ynn n TYR 435 Cb 0.61 -2.26 0.00 0.00 -0.63 0.00 0.00 39.34 37.06 1ynn n TYR 435 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ynn n GLY 436 N 7.26 3.11 0.13 2.98 0.00 -1.25 -4.79 105.19 112.63 1ynn n GLY 436 Ca 0.55 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.36 1ynn n GLY 436 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ynn n ARG 437 N -1.90 0.65 -4.11 1.61 1.74 0.18 -4.08 116.66 110.75 1ynn n ARG 437 Ca 0.00 0.21 -0.15 0.00 -0.77 0.00 0.00 57.85 57.15 1ynn n ARG 437 Cb 0.00 -1.55 -0.13 0.00 -1.02 0.00 0.00 32.46 29.76 1ynn n ARG 437 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ynn s ILE 438 N -2.51 0.43 0.12 0.55 1.01 0.02 -2.25 121.20 118.56 1ynn s ILE 438 Ca -0.34 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 1ynn s ILE 438 Cb 0.10 -0.42 -0.08 0.00 0.01 0.00 0.00 42.46 42.07 1ynn s ILE 438 CO 0.60 -0.07 1.36 0.00 0.00 0.00 0.00 174.94 176.83 1ynn n PRO 440 N 3.84 1.00 -1.40 0.00 -0.04 -1.26 -4.77 135.00 132.36 1ynn n PRO 440 Ca 0.11 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ynn n PRO 440 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1ynn n PRO 440 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ynn n VAL 441 N -0.85 0.00 -2.23 0.52 0.31 -1.26 -4.92 118.33 109.90 1ynn n VAL 441 Ca 0.21 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.39 1ynn n VAL 441 Cb 0.18 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.10 1ynn n VAL 441 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ynn n GLU 442 N 0.00 -1.19 -2.95 5.55 4.07 -1.26 -4.88 120.64 119.98 1ynn n GLU 442 Ca 0.00 0.74 -0.23 0.00 -0.06 0.00 0.00 57.16 57.62 1ynn n GLU 442 Cb 0.00 -5.07 0.01 0.00 -0.06 0.00 0.00 31.44 26.33 1ynn n GLU 442 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1ynn s THR 443 N -2.74 3.88 0.68 6.31 -1.32 -1.26 -4.54 115.64 116.65 1ynn s THR 443 Ca 0.00 -0.51 -0.14 0.00 -1.21 0.00 0.00 61.69 59.82 1ynn s THR 443 Cb 0.00 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.57 1ynn s THR 443 CO 0.00 -0.31 1.12 -2.16 -2.21 0.00 0.00 174.62 171.06 1ynn s PRO 444 N -4.57 2.66 0.00 7.08 0.04 -1.26 -4.94 135.00 134.00 1ynn s PRO 444 Ca 0.49 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1ynn s PRO 444 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ynn s PRO 444 CO 0.38 -1.36 0.32 -1.91 0.04 0.00 0.00 177.00 174.47 1ynn n GLU 445 N -2.58 0.00 -3.97 4.56 4.07 -1.26 -3.19 120.64 118.27 1ynn n GLU 445 Ca 0.10 0.37 -0.29 0.00 -0.06 0.00 0.00 57.16 57.29 1ynn n GLU 445 Cb 0.52 -1.06 -0.04 0.00 -0.06 0.00 0.00 31.44 30.80 1ynn n GLU 445 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1ynn s GLY 446 N -1.38 1.95 0.00 8.31 0.00 -1.26 -4.18 107.32 110.76 1ynn s GLY 446 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1ynn s GLY 446 CO 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 173.10 172.13 1ynn n ALA 447 N -0.02 0.00 0.02 3.20 0.00 -1.26 -3.93 120.51 118.52 1ynn n ALA 447 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1ynn n ALA 447 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 1ynn n ALA 447 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ynn n ASN 448 N 0.55 0.70 -0.12 0.00 3.02 -1.26 -4.93 115.26 113.21 1ynn n ASN 448 Ca 0.00 0.30 -0.02 0.00 -0.03 0.00 0.00 54.58 54.84 1ynn n ASN 448 Cb 0.00 0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1ynn n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ynn n ILE 449 N -2.80 0.00 0.00 2.41 0.13 -1.19 0.72 119.36 118.63 1ynn n ILE 449 Ca -0.10 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 1ynn n ILE 449 Cb 0.82 -0.01 0.00 0.00 -0.84 0.00 0.00 39.64 39.60 1ynn n ILE 449 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1ynn n GLY 450 N 0.21 2.94 0.09 4.50 0.00 -1.26 -4.86 105.19 106.80 1ynn n GLY 450 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1ynn n GLY 450 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ynn n LEU 451 N 0.00 0.59 -4.79 0.99 4.77 0.22 -4.57 117.00 114.22 1ynn n LEU 451 Ca 0.00 0.28 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 1ynn n LEU 451 Cb 0.00 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1ynn n LEU 451 CO 0.00 0.38 -0.21 -0.63 -1.33 0.00 0.00 177.39 175.60 1ynn s ILE 452 N -2.63 5.12 0.16 -0.08 -1.09 -1.21 -2.05 121.20 119.42 1ynn s ILE 452 Ca -0.06 0.07 -0.17 0.00 -2.23 0.00 0.00 60.65 58.25 1ynn s ILE 452 Cb 0.08 -3.23 0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1ynn s ILE 452 CO 0.83 0.58 0.48 0.28 -1.23 0.00 0.00 174.94 175.88 1ynn s THR 453 N -0.70 0.04 0.12 2.92 -1.32 -0.46 -4.46 115.64 111.78 1ynn s THR 453 Ca 0.12 -0.63 0.05 0.00 -1.21 0.00 0.00 61.69 60.03 1ynn s THR 453 Cb -0.12 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 1ynn s THR 453 CO 0.03 -0.18 0.01 -0.55 -2.21 0.00 0.00 174.62 171.72 1ynn s SER 454 N -2.84 5.02 0.13 8.08 0.15 -1.26 0.68 113.70 123.66 1ynn s SER 454 Ca 0.06 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 1ynn s SER 454 Cb 0.00 -1.18 -0.07 0.00 -1.71 0.00 0.00 66.02 63.06 1ynn s SER 454 CO -0.07 0.15 1.15 -0.22 1.20 0.00 0.00 173.24 175.45 1ynn s LEU 455 N -2.53 4.43 0.76 3.45 2.96 -0.63 -3.00 118.68 124.12 1ynn s LEU 455 Ca 0.27 2.07 -0.15 0.00 -0.22 0.00 0.00 54.13 56.10 1ynn s LEU 455 Cb -0.11 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1ynn s LEU 455 CO 0.19 -0.35 1.14 0.00 -1.32 0.00 0.00 176.35 176.01 1ynn n ALA 456 N 3.06 0.07 0.36 5.97 0.00 -0.95 -4.38 120.51 124.63 1ynn n ALA 456 Ca 0.06 -0.24 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 1ynn n ALA 456 Cb 0.46 -2.22 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 1ynn n ALA 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ynn h ALA 457 N -0.48 -0.89 -0.00 0.00 0.00 -1.25 -3.04 119.26 113.59 1ynn h ALA 457 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ynn h ALA 457 Cb 1.32 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ynn h ALA 457 CO 0.47 -0.95 -0.20 0.66 0.00 0.00 0.00 179.25 179.23 1ynn n TYR 458 N -5.44 0.00 -1.20 0.00 4.02 -1.26 -4.71 117.16 108.57 1ynn n TYR 458 Ca -0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.45 1ynn n TYR 458 Cb 0.37 -0.30 0.11 0.00 -0.02 0.00 0.00 39.34 39.50 1ynn n TYR 458 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ynn s ALA 459 N -2.80 2.07 -0.14 -0.72 0.00 -1.15 -4.62 121.76 114.39 1ynn s ALA 459 Ca 0.19 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 1ynn s ALA 459 Cb 0.19 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1ynn s ALA 459 CO 0.56 -1.95 0.62 0.50 0.00 0.00 0.00 175.76 175.49 1ynn s ARG 460 N -4.88 0.86 -0.01 0.00 3.52 -0.63 -4.93 118.95 112.89 1ynn s ARG 460 Ca 0.62 0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 56.58 1ynn s ARG 460 Cb -0.18 0.41 -0.06 0.00 -1.56 0.00 0.00 34.95 33.57 1ynn s ARG 460 CO 0.56 -0.19 0.51 0.08 -0.81 0.00 0.00 175.30 175.45 1ynn s VAL 461 N -0.43 4.95 0.27 7.11 1.01 -1.26 -0.24 120.40 131.82 1ynn s VAL 461 Ca -0.06 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.05 1ynn s VAL 461 Cb -0.03 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ynn s VAL 461 CO 0.05 0.48 0.28 1.51 0.00 0.00 0.00 175.10 177.42 1ynn s ASP 462 N -0.53 5.74 0.00 3.32 -4.77 -0.88 -4.90 116.67 114.66 1ynn s ASP 462 Ca 0.27 -0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.32 1ynn s ASP 462 Cb -0.17 -1.44 0.00 0.00 -1.09 0.00 0.00 42.92 40.22 1ynn s ASP 462 CO 0.15 -0.14 0.00 0.00 0.70 0.00 0.00 175.17 175.88 1ynn n ALA 463 N -1.32 0.00 0.25 2.11 0.00 -1.26 0.34 120.51 120.64 1ynn n ALA 463 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1ynn n ALA 463 Cb 0.58 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.26 1ynn n ALA 463 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ynn n LEU 464 N -3.27 3.04 -0.34 0.00 7.94 -1.26 -4.94 117.00 118.16 1ynn n LEU 464 Ca 0.00 -1.53 -0.01 0.00 -1.11 0.00 0.00 56.01 53.36 1ynn n LEU 464 Cb 0.00 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.53 1ynn n LEU 464 CO 0.00 0.58 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 1ynn n GLY 465 N 0.95 0.67 3.83 -3.96 0.00 1.06 -4.77 105.19 102.97 1ynn n GLY 465 Ca 0.16 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 1ynn n GLY 465 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ynn s PHE 466 N -2.57 3.40 0.15 1.61 0.40 -1.26 0.19 117.98 119.90 1ynn s PHE 466 Ca 0.01 0.29 -0.30 0.00 -0.60 0.00 0.00 56.93 56.33 1ynn s PHE 466 Cb -0.00 -1.79 -0.07 0.00 0.51 0.00 0.00 43.02 41.66 1ynn s PHE 466 CO 0.01 0.60 1.02 0.42 0.70 0.00 0.00 175.22 177.97 1ynn s ILE 467 N -1.20 4.19 0.03 0.64 1.01 -1.26 -2.06 121.20 122.55 1ynn s ILE 467 Ca 0.23 1.87 0.07 0.00 0.00 0.00 0.00 60.65 62.82 1ynn s ILE 467 Cb -0.12 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1ynn s ILE 467 CO 0.14 0.31 -0.21 -0.13 0.00 0.00 0.00 174.94 175.05 1ynn s ARG 468 N -0.22 2.03 0.12 2.79 0.52 0.67 -4.22 118.95 120.65 1ynn s ARG 468 Ca 0.48 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.76 1ynn s ARG 468 Cb -0.26 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1ynn s ARG 468 CO 0.32 0.54 -0.05 0.99 0.02 0.00 0.00 175.30 177.12 1ynn s THR 469 N -0.85 3.60 0.05 0.02 2.01 -1.17 -1.60 115.64 117.70 1ynn s THR 469 Ca 0.13 -1.27 -0.27 0.00 0.31 0.00 0.00 61.69 60.59 1ynn s THR 469 Cb -0.10 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1ynn s THR 469 CO 0.03 0.04 0.86 -2.16 -0.69 0.00 0.00 174.62 172.70 1ynn s PRO 470 N -2.47 4.57 -0.07 4.92 0.04 -1.26 -2.18 135.00 138.55 1ynn s PRO 470 Ca 0.24 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1ynn s PRO 470 Cb -0.11 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 31.07 1ynn s PRO 470 CO 0.16 0.20 -0.08 0.71 0.04 0.00 0.00 177.00 178.03 1ynn s TYR 471 N 0.17 1.16 0.39 0.56 1.51 -0.71 -4.28 117.35 116.15 1ynn s TYR 471 Ca 0.43 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.79 1ynn s TYR 471 Cb -0.21 -0.94 -0.09 0.00 -0.11 0.00 0.00 41.96 40.61 1ynn s TYR 471 CO 0.26 -0.29 1.34 0.50 -1.11 0.00 0.00 175.55 176.25 1ynn s ARG 472 N 1.02 4.03 0.06 -0.62 3.52 -0.82 -1.40 118.95 124.74 1ynn s ARG 472 Ca -0.09 2.26 -0.20 0.00 -0.13 0.00 0.00 55.73 57.58 1ynn s ARG 472 Cb -0.14 -2.84 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1ynn s ARG 472 CO -0.00 -0.48 0.58 0.50 -0.81 0.00 0.00 175.30 175.09 1ynn s ARG 473 N -2.16 4.23 -0.28 5.12 6.06 -1.04 0.39 118.95 131.28 1ynn s ARG 473 Ca 0.55 0.75 0.02 0.00 -2.50 0.00 0.00 55.73 54.55 1ynn s ARG 473 Cb -0.40 -3.26 0.06 0.00 0.06 0.00 0.00 34.95 31.41 1ynn s ARG 473 CO 0.53 0.59 -0.07 0.14 -2.50 0.00 0.00 175.30 173.99 1ynn s VAL 474 N -0.94 2.32 -0.72 7.11 -7.23 -1.20 -1.10 120.40 118.63 1ynn s VAL 474 Ca 0.29 -1.69 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 1ynn s VAL 474 Cb -0.19 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1ynn s VAL 474 CO 0.19 -0.12 1.57 -0.54 -0.31 0.00 0.00 175.10 175.89 1ynn s LYS 475 N 1.10 2.95 0.00 4.82 1.02 -1.10 -4.68 119.74 123.85 1ynn s LYS 475 Ca -0.06 0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.95 1ynn s LYS 475 Cb -0.20 -4.42 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 1ynn s LYS 475 CO -0.05 -2.48 0.00 0.09 -0.92 0.00 0.00 175.35 172.00 1ynn n ASN 476 N 11.01 0.00 0.00 2.83 3.02 -1.26 -1.12 115.26 129.74 1ynn n ASN 476 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1ynn n ASN 476 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1ynn n ASN 476 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ynn n GLY 477 N 0.10 2.42 3.77 7.41 0.00 -1.25 -4.98 105.19 112.66 1ynn n GLY 477 Ca 0.00 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 1ynn n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ynn s VAL 478 N 0.00 3.21 -0.43 1.61 1.01 -0.28 -3.08 120.40 122.44 1ynn s VAL 478 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 1ynn s VAL 478 Cb 0.00 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 33.08 1ynn s VAL 478 CO 0.00 -0.08 0.29 -0.69 0.00 0.00 0.00 175.10 174.61 1ynn s VAL 479 N -1.67 4.26 1.07 2.92 1.01 -0.26 -2.72 120.40 125.01 1ynn s VAL 479 Ca 0.67 -1.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1ynn s VAL 479 Cb -0.26 -3.66 0.23 0.00 0.00 0.00 0.00 36.38 32.70 1ynn s VAL 479 CO 0.30 -0.58 1.07 -0.89 0.00 0.00 0.00 175.10 175.00 1ynn s THR 480 N 1.42 2.09 -1.67 3.92 2.01 -0.26 -4.92 115.64 118.23 1ynn s THR 480 Ca 0.04 0.03 0.26 0.00 0.31 0.00 0.00 61.69 62.33 1ynn s THR 480 Cb -0.24 -2.13 0.26 0.00 0.01 0.00 0.00 72.50 70.40 1ynn s THR 480 CO 0.01 -0.04 1.58 -0.62 -0.69 0.00 0.00 174.62 174.86 1ynn n GLU 481 N -4.64 0.75 -3.19 4.92 -0.58 -1.26 -4.70 120.64 111.93 1ynn n GLU 481 Ca 0.06 -0.43 -0.39 0.00 -0.42 0.00 0.00 57.16 55.98 1ynn n GLU 481 Cb 0.54 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.86 1ynn n GLU 481 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1ynn s GLU 482 N -2.55 4.34 0.11 3.49 -1.05 -1.26 -5.05 118.70 116.74 1ynn s GLU 482 Ca 0.23 0.61 0.05 0.00 -0.15 0.00 0.00 54.97 55.72 1ynn s GLU 482 Cb 0.19 -3.47 -0.04 0.00 -0.44 0.00 0.00 34.13 30.37 1ynn s GLU 482 CO 0.53 0.04 0.00 0.08 0.95 0.00 0.00 175.26 176.87 1ynn s VAL 483 N 0.95 3.95 -0.10 1.83 1.01 -1.26 -2.49 120.40 124.29 1ynn s VAL 483 Ca 0.30 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1ynn s VAL 483 Cb -0.16 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1ynn s VAL 483 CO 0.13 0.06 0.01 -0.69 0.00 0.00 0.00 175.10 174.60 1ynn s VAL 484 N -1.41 0.44 -0.19 2.92 1.01 -0.49 -4.95 120.40 117.73 1ynn s VAL 484 Ca 0.26 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 1ynn s VAL 484 Cb -0.11 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1ynn s VAL 484 CO 0.18 0.15 0.97 -0.31 0.00 0.00 0.00 175.10 176.10 1ynn s TYR 485 N 1.93 3.39 0.14 5.22 1.51 -1.26 -1.73 117.35 126.55 1ynn s TYR 485 Ca 0.04 1.42 0.04 0.00 -1.01 0.00 0.00 57.07 57.56 1ynn s TYR 485 Cb -0.13 -3.18 -0.04 0.00 -0.11 0.00 0.00 41.96 38.49 1ynn s TYR 485 CO -0.06 -0.38 -0.09 0.00 -1.11 0.00 0.00 175.55 173.91 1ynn s MET 486 N 2.72 1.02 0.89 -0.62 0.23 -0.93 -4.89 119.30 117.73 1ynn s MET 486 Ca 0.43 -1.43 -0.11 0.00 -1.03 0.00 0.00 55.69 53.55 1ynn s MET 486 Cb -0.16 -0.54 0.13 0.00 -1.53 0.00 0.00 34.83 32.73 1ynn s MET 486 CO 0.10 0.06 1.10 0.99 -2.03 0.00 0.00 175.02 175.24 1ynn s THR 487 N -3.38 2.58 0.21 3.16 2.01 -1.26 -3.06 115.64 115.90 1ynn s THR 487 Ca 0.16 0.19 0.34 0.00 0.31 0.00 0.00 61.69 62.69 1ynn s THR 487 Cb 0.03 -2.46 0.38 0.00 0.01 0.00 0.00 72.50 70.46 1ynn s THR 487 CO -0.00 -0.25 2.04 0.00 -0.69 0.00 0.00 174.62 175.72 1ynn h ALA 488 N -1.66 1.02 0.00 7.40 0.00 -1.82 -3.02 119.26 121.17 1ynn h ALA 488 Ca -0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1ynn h ALA 488 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1ynn h ALA 488 CO 0.48 0.03 -0.29 0.66 0.00 0.00 0.00 179.25 180.14 1ynn h SER 489 N 0.00 0.00 0.00 0.00 4.64 -1.91 -3.33 113.55 112.95 1ynn h SER 489 Ca -0.00 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 1ynn h SER 489 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1ynn h SER 489 CO 0.00 1.08 0.00 -0.62 -0.87 0.00 0.00 176.83 176.42 1ynn n GLU 490 N -4.58 0.56 -0.02 4.77 1.02 -1.20 -2.99 120.64 118.20 1ynn n GLU 490 Ca -0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.99 1ynn n GLU 490 Cb 0.50 -1.19 -0.04 0.00 -0.02 0.00 0.00 31.44 30.69 1ynn n GLU 490 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ynn n GLU 491 N -0.01 2.22 0.00 3.49 2.13 -1.15 -4.58 120.64 122.75 1ynn n GLU 491 Ca 0.00 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1ynn n GLU 491 Cb 0.10 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1ynn n GLU 491 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ynn n ASP 492 N -2.02 1.76 -0.05 4.31 9.92 -1.16 -3.37 116.55 125.93 1ynn n ASP 492 Ca -0.06 -1.73 0.01 0.00 -0.53 0.00 0.00 54.79 52.48 1ynn n ASP 492 Cb 0.49 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1ynn n ASP 492 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ynn n ARG 493 N 0.33 0.89 -4.26 -1.24 1.74 -1.26 -4.69 116.66 108.16 1ynn n ARG 493 Ca 0.00 -0.47 -0.15 0.00 -0.77 0.00 0.00 57.85 56.47 1ynn n ARG 493 Cb 0.33 -0.93 -0.10 0.00 -1.02 0.00 0.00 32.46 30.74 1ynn n ARG 493 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ynn s TYR 494 N -0.37 1.31 -1.14 -1.55 1.51 -1.22 -5.09 117.35 110.81 1ynn s TYR 494 Ca 0.02 -0.86 -0.09 0.00 -1.01 0.00 0.00 57.07 55.13 1ynn s TYR 494 Cb 0.01 -0.71 0.26 0.00 -0.11 0.00 0.00 41.96 41.41 1ynn s TYR 494 CO 0.03 -0.01 1.25 2.41 -1.11 0.00 0.00 175.55 178.12 1ynn n THR 495 N -0.25 4.61 -2.60 -0.71 -1.04 -1.26 -4.45 114.28 108.58 1ynn n THR 495 Ca -0.08 -5.30 -0.41 0.00 -2.04 0.00 0.00 64.05 56.21 1ynn n THR 495 Cb 0.62 -2.49 -0.04 0.00 -1.82 0.00 0.00 70.33 66.60 1ynn n THR 495 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ynn s ILE 496 N -0.89 4.19 -0.08 12.58 1.01 -0.63 -2.21 121.20 135.16 1ynn s ILE 496 Ca 0.34 1.79 -0.10 0.00 0.00 0.00 0.00 60.65 62.68 1ynn s ILE 496 Cb -0.06 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1ynn s ILE 496 CO -0.04 0.26 0.23 0.00 0.00 0.00 0.00 174.94 175.40 1ynn s ALA 497 N 0.10 3.81 0.70 9.38 0.00 0.19 -1.10 121.76 134.84 1ynn s ALA 497 Ca 0.50 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 1ynn s ALA 497 Cb -0.27 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1ynn s ALA 497 CO 0.32 0.55 1.18 -1.14 0.00 0.00 0.00 175.76 176.67 1ynn s GLN 498 N -0.99 2.41 0.42 0.00 2.00 -1.10 -0.07 119.66 122.34 1ynn s GLN 498 Ca 0.18 1.65 0.27 0.00 -2.00 0.00 0.00 55.36 55.46 1ynn s GLN 498 Cb -0.14 -1.88 0.82 0.00 0.80 0.00 0.00 33.01 32.62 1ynn s GLN 498 CO 0.07 -1.60 1.77 0.00 -0.50 0.00 0.00 175.29 175.03 1ynn h ALA 499 N -0.09 1.00 -0.87 1.58 0.00 -1.93 -3.11 119.26 115.83 1ynn h ALA 499 Ca -0.48 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.55 1ynn h ALA 499 Cb 1.28 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1ynn h ALA 499 CO 0.51 0.00 0.50 -0.91 0.00 0.00 0.00 179.25 179.35 1ynn h ASN 500 N 0.00 0.68 -1.11 0.00 4.21 -1.92 -3.44 115.58 114.00 1ynn h ASN 500 Ca 0.00 0.06 -0.77 0.00 1.21 0.00 0.00 56.30 56.81 1ynn h ASN 500 Cb 0.72 -0.06 0.05 0.00 -1.12 0.00 0.00 38.32 37.91 1ynn h ASN 500 CO 0.00 0.35 0.09 0.41 -1.29 0.00 0.00 177.43 177.00 1ynn n THR 501 N -4.76 0.10 -1.86 2.81 -1.04 -1.18 -4.93 114.28 103.42 1ynn n THR 501 Ca 0.16 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.83 1ynn n THR 501 Cb 0.35 -0.13 0.01 0.00 -1.82 0.00 0.00 70.33 68.74 1ynn n THR 501 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ynn s PRO 502 N 0.02 3.52 -0.18 -2.82 0.02 -1.26 -5.00 135.00 129.30 1ynn s PRO 502 Ca 0.89 0.80 -0.04 0.00 0.02 0.00 0.00 61.00 62.66 1ynn s PRO 502 Cb -1.20 -2.07 0.09 0.00 0.02 0.00 0.00 34.50 31.33 1ynn s PRO 502 CO 0.55 -0.63 0.30 -0.51 -0.33 0.00 0.00 177.00 176.38 1ynn s LEU 503 N -5.17 -0.37 -0.57 -5.54 1.43 -1.26 -2.52 118.68 104.69 1ynn s LEU 503 Ca 0.56 0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 53.79 1ynn s LEU 503 Cb -0.11 0.80 -0.00 0.00 0.03 0.00 0.00 46.19 46.90 1ynn s LEU 503 CO 0.53 -0.27 1.61 -1.83 0.23 0.00 0.00 176.35 176.62 1ynn s GLU 504 N 2.45 3.05 4.66 1.70 -1.05 -0.33 -4.62 118.70 124.56 1ynn s GLU 504 Ca 0.04 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 1ynn s GLU 504 Cb -0.13 -4.24 0.00 0.00 -0.44 0.00 0.00 34.13 29.32 1ynn s GLU 504 CO -0.11 -2.24 0.00 0.41 0.95 0.00 0.00 175.26 174.27 1ynn n GLY 505 N 5.45 1.11 0.61 -3.83 0.00 -1.26 -2.92 105.19 104.36 1ynn n GLY 505 Ca 0.16 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.54 1ynn n GLY 505 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ynn n ASP 506 N 8.83 1.54 -4.02 1.61 8.00 -1.26 -5.05 116.55 126.20 1ynn n ASP 506 Ca 0.00 -3.10 -0.09 0.00 0.71 0.00 0.00 54.79 52.31 1ynn n ASP 506 Cb 0.00 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 1ynn n ASP 506 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ynn s ARG 507 N -2.14 0.41 0.81 -1.24 1.70 -1.15 -1.11 118.95 116.24 1ynn s ARG 507 Ca 0.31 -0.78 -0.15 0.00 -0.47 0.00 0.00 55.73 54.64 1ynn s ARG 507 Cb 0.30 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1ynn s ARG 507 CO -0.05 -0.05 0.56 -0.89 -1.08 0.00 0.00 175.30 173.79 1ynn n ILE 508 N 1.21 1.23 -0.04 4.99 -0.00 -1.18 -1.18 119.36 124.38 1ynn n ILE 508 Ca -0.21 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.23 1ynn n ILE 508 Cb 0.56 -0.75 0.00 0.00 -0.00 0.00 0.00 39.64 39.45 1ynn n ILE 508 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ynn n ALA 509 N -2.90 1.85 -3.15 -1.39 0.00 -1.05 -4.48 120.51 109.40 1ynn n ALA 509 Ca 0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1ynn n ALA 509 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1ynn n ALA 509 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ynn s THR 510 N -0.59 0.07 0.13 0.00 -1.32 -1.26 -5.01 115.64 107.66 1ynn s THR 510 Ca 0.00 -0.59 0.18 0.00 -1.21 0.00 0.00 61.69 60.07 1ynn s THR 510 Cb 0.00 -0.62 0.12 0.00 -1.51 0.00 0.00 72.50 70.49 1ynn s THR 510 CO 0.00 -0.32 1.69 0.44 -2.21 0.00 0.00 174.62 174.21 1ynn h ASP 511 N 3.89 0.00 -3.18 8.08 3.32 -1.97 -3.39 116.42 123.17 1ynn h ASP 511 Ca -0.30 0.00 -0.75 0.00 0.02 0.00 0.00 57.03 56.00 1ynn h ASP 511 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 1ynn h ASP 511 CO 0.41 0.40 -0.25 -0.13 -1.72 0.00 0.00 179.24 177.96 1ynn s ARG 512 N -3.51 2.99 -0.21 3.56 1.81 -1.26 -4.27 118.95 118.06 1ynn s ARG 512 Ca 0.01 -1.52 -0.06 0.00 -1.72 0.00 0.00 55.73 52.44 1ynn s ARG 512 Cb 0.11 -4.22 -0.03 0.00 -0.45 0.00 0.00 34.95 30.36 1ynn s ARG 512 CO 0.70 -1.21 0.02 0.08 -0.68 0.00 0.00 175.30 174.21 1ynn s VAL 513 N 1.68 4.11 0.14 3.52 1.01 -0.12 -4.85 120.40 125.88 1ynn s VAL 513 Ca 0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1ynn s VAL 513 Cb -0.27 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 1ynn s VAL 513 CO 0.05 0.41 1.05 -0.69 0.00 0.00 0.00 175.10 175.92 1ynn s VAL 514 N 1.08 4.15 -0.04 2.92 1.01 -1.26 0.71 120.40 128.97 1ynn s VAL 514 Ca 0.03 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 1ynn s VAL 514 Cb -0.14 -4.14 0.10 0.00 0.00 0.00 0.00 36.38 32.20 1ynn s VAL 514 CO 0.02 0.27 0.86 0.00 0.00 0.00 0.00 175.10 176.26 1ynn s ALA 515 N 0.01 -1.83 0.04 5.51 0.00 0.52 -2.70 121.76 123.31 1ynn s ALA 515 Ca 0.49 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.68 1ynn s ALA 515 Cb -0.27 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1ynn s ALA 515 CO 0.32 -0.53 0.00 -0.98 0.00 0.00 0.00 175.76 174.58 1ynn s ARG 516 N -2.25 2.67 -0.11 0.00 1.70 -0.26 0.18 118.95 120.88 1ynn s ARG 516 Ca -0.00 -0.72 -0.05 0.00 -0.47 0.00 0.00 55.73 54.49 1ynn s ARG 516 Cb -0.01 -2.61 0.05 0.00 -0.57 0.00 0.00 34.95 31.82 1ynn s ARG 516 CO -0.03 0.58 0.25 -0.98 -1.08 0.00 0.00 175.30 174.04 1ynn s ARG 517 N -1.92 0.16 -1.52 3.89 1.70 -1.22 -1.61 118.95 118.44 1ynn s ARG 517 Ca 0.23 0.64 0.00 0.00 -0.47 0.00 0.00 55.73 56.12 1ynn s ARG 517 Cb -0.12 -0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 1ynn s ARG 517 CO 0.14 -0.23 0.00 -2.13 -1.08 0.00 0.00 175.30 172.00 1ynn n ARG 518 N 4.84 -1.80 0.00 3.89 0.63 -1.26 -3.78 116.66 119.18 1ynn n ARG 518 Ca -0.15 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 1ynn n ARG 518 Cb 0.51 -5.40 0.00 0.00 0.45 0.00 0.00 32.46 28.02 1ynn n ARG 518 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ynn n GLY 519 N -0.75 2.60 3.73 5.14 0.00 -1.26 -5.05 105.19 109.60 1ynn n GLY 519 Ca -0.19 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1ynn n GLY 519 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ynn s GLU 520 N 0.00 4.23 0.17 1.61 2.12 -1.25 -4.84 118.70 120.74 1ynn s GLU 520 Ca 0.00 2.36 -0.32 0.00 0.36 0.00 0.00 54.97 57.37 1ynn s GLU 520 Cb 0.00 -3.12 -0.11 0.00 0.26 0.00 0.00 34.13 31.15 1ynn s GLU 520 CO 0.00 -0.54 1.77 -0.35 -0.54 0.00 0.00 175.26 175.61 1ynn n PRO 521 N 3.16 2.79 -4.07 4.30 -0.04 -1.26 -3.37 135.00 136.51 1ynn n PRO 521 Ca 0.11 1.01 -0.16 0.00 -0.04 0.00 0.00 63.50 64.42 1ynn n PRO 521 Cb 0.39 -2.88 -0.15 0.00 -0.04 0.00 0.00 33.50 30.82 1ynn n PRO 521 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ynn s VAL 522 N 1.84 0.31 -0.14 0.52 1.01 0.48 -4.98 120.40 119.45 1ynn s VAL 522 Ca 0.78 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 1ynn s VAL 522 Cb -0.49 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1ynn s VAL 522 CO 0.34 0.12 0.32 0.27 0.00 0.00 0.00 175.10 176.15 1ynn s ILE 523 N 0.25 5.27 0.04 2.22 -5.25 -1.26 -0.36 121.20 122.11 1ynn s ILE 523 Ca -0.02 0.62 -0.05 0.00 -0.99 0.00 0.00 60.65 60.20 1ynn s ILE 523 Cb -0.06 -3.65 -0.01 0.00 2.95 0.00 0.00 42.46 41.69 1ynn s ILE 523 CO -0.00 0.41 0.08 -0.69 -1.79 0.00 0.00 174.94 172.95 1ynn s VAL 524 N 0.27 0.14 0.32 8.37 1.01 0.22 -4.85 120.40 125.88 1ynn s VAL 524 Ca 0.18 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 1ynn s VAL 524 Cb -0.14 -0.96 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1ynn s VAL 524 CO 0.06 -0.65 1.26 0.00 0.00 0.00 0.00 175.10 175.77 1ynn s ALA 525 N -2.78 3.48 0.61 5.51 0.00 -1.26 -0.94 121.76 126.37 1ynn s ALA 525 Ca -0.03 1.17 0.26 0.00 0.00 0.00 0.00 51.96 53.36 1ynn s ALA 525 Cb -0.00 -3.44 1.41 0.00 0.00 0.00 0.00 23.12 21.08 1ynn s ALA 525 CO -0.05 -0.53 1.79 -1.35 0.00 0.00 0.00 175.76 175.61 1ynn h PRO 526 N 3.55 0.00 0.18 0.00 0.11 -1.83 0.21 132.00 134.23 1ynn h PRO 526 Ca -0.48 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.28 1ynn h PRO 526 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ynn h PRO 526 CO 0.66 0.00 -1.75 0.93 -0.21 0.00 0.00 178.00 177.63 1ynn h GLU 527 N 0.00 0.39 -0.71 1.05 3.07 -1.93 -3.33 114.58 113.11 1ynn h GLU 527 Ca 0.00 -0.66 0.20 0.00 -0.50 0.00 0.00 59.36 58.40 1ynn h GLU 527 Cb 0.78 0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.91 1ynn h GLU 527 CO 0.00 1.32 0.51 0.93 -1.40 0.00 0.00 179.01 180.37 1ynn h GLU 528 N 0.09 0.02 -6.97 2.33 5.08 -0.93 -3.44 114.58 110.76 1ynn h GLU 528 Ca -0.35 -0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.47 1ynn h GLU 528 Cb 2.09 -0.00 0.11 0.00 0.50 0.00 0.00 28.75 31.44 1ynn h GLU 528 CO 0.17 0.01 0.69 0.08 -1.00 0.00 0.00 179.01 178.97 1ynn s VAL 529 N -5.02 2.19 0.00 3.13 1.01 -1.16 -4.60 120.40 115.95 1ynn s VAL 529 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ynn s VAL 529 Cb 0.21 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1ynn s VAL 529 CO 0.75 0.03 0.00 -0.62 0.00 0.00 0.00 175.10 175.26 1ynn n GLU 530 N -0.02 2.62 -4.03 2.72 1.02 -0.94 -4.70 120.64 117.31 1ynn n GLU 530 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 1ynn n GLU 530 Cb 0.42 -0.90 -0.05 0.00 -0.02 0.00 0.00 31.44 30.88 1ynn n GLU 530 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ynn s PHE 531 N -1.75 0.60 0.27 -0.32 0.40 -1.25 -3.25 117.98 112.67 1ynn s PHE 531 Ca 0.00 -0.93 0.03 0.00 -0.60 0.00 0.00 56.93 55.43 1ynn s PHE 531 Cb 0.00 0.08 -0.06 0.00 0.51 0.00 0.00 43.02 43.56 1ynn s PHE 531 CO 0.00 -1.02 0.05 1.41 0.70 0.00 0.00 175.22 176.36 1ynn s MET 532 N -3.72 1.45 0.26 0.44 1.75 0.16 0.56 119.30 120.20 1ynn s MET 532 Ca 0.26 -1.77 -0.16 0.00 -1.25 0.00 0.00 55.69 52.76 1ynn s MET 532 Cb -0.00 -0.57 -0.08 0.00 2.84 0.00 0.00 34.83 37.01 1ynn s MET 532 CO 0.12 -0.19 0.70 -0.51 -0.65 0.00 0.00 175.02 174.49 1ynn s ASP 533 N -3.36 6.88 0.03 1.11 1.01 0.90 -1.95 116.67 121.29 1ynn s ASP 533 Ca 0.34 1.29 -0.17 0.00 0.71 0.00 0.00 52.55 54.72 1ynn s ASP 533 Cb 0.07 -2.37 -0.34 0.00 1.01 0.00 0.00 42.92 41.29 1ynn s ASP 533 CO 0.12 -0.07 1.01 0.58 0.21 0.00 0.00 175.17 177.03 1ynn h VAL 534 N 2.36 1.31 -1.61 -1.27 2.07 -1.92 -3.38 116.25 113.80 1ynn h VAL 534 Ca -0.48 -2.61 0.06 0.00 0.82 0.00 0.00 66.70 64.49 1ynn h VAL 534 Cb 1.18 2.98 -0.23 0.00 -1.52 0.00 0.00 31.29 33.70 1ynn h VAL 534 CO 0.66 0.78 0.50 -0.55 0.02 0.00 0.00 177.57 178.97 1ynn s SER 535 N -7.47 -0.41 0.46 0.57 0.15 -1.26 -4.52 113.70 101.21 1ynn s SER 535 Ca -0.10 0.50 0.17 0.00 0.70 0.00 0.00 55.95 57.22 1ynn s SER 535 Cb 0.04 0.40 1.13 0.00 -1.71 0.00 0.00 66.02 65.88 1ynn s SER 535 CO 0.93 -0.35 1.98 1.55 1.20 0.00 0.00 173.24 178.56 1ynn h PRO 536 N 2.81 0.29 -0.91 5.44 0.13 -1.92 -2.18 132.00 135.66 1ynn h PRO 536 Ca -0.20 -0.02 0.26 0.00 -0.87 0.00 0.00 66.00 65.17 1ynn h PRO 536 Cb 1.16 -0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.08 1ynn h PRO 536 CO 0.29 0.19 0.27 0.87 -0.23 0.00 0.00 178.00 179.39 1ynn h LYS 537 N 0.29 0.18 -1.29 0.86 1.57 -1.96 -1.73 116.57 114.49 1ynn h LYS 537 Ca 0.27 -0.01 0.40 0.00 -1.87 0.00 0.00 60.65 59.44 1ynn h LYS 537 Cb 0.68 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 1ynn h LYS 537 CO -0.06 0.12 0.90 0.94 -0.57 0.00 0.00 179.45 180.78 1ynn n GLN 538 N -5.24 -0.01 0.06 3.15 7.27 -0.82 -1.16 117.38 120.64 1ynn n GLN 538 Ca 0.24 0.84 -0.03 0.00 0.07 0.00 0.00 57.00 58.11 1ynn n GLN 538 Cb 0.76 -1.82 -0.07 0.00 2.41 0.00 0.00 30.24 31.51 1ynn n GLN 538 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ynn h VAL 539 N 0.00 1.01 -1.80 1.69 2.07 -1.53 -3.34 116.25 114.34 1ynn h VAL 539 Ca 0.67 -2.59 -0.57 0.00 0.82 0.00 0.00 66.70 65.04 1ynn h VAL 539 Cb 2.52 2.44 -0.09 0.00 -1.52 0.00 0.00 31.29 34.65 1ynn h VAL 539 CO -0.13 0.57 -0.55 -0.36 0.02 0.00 0.00 177.57 177.13 1ynn s PHE 540 N -2.81 2.62 1.05 1.57 0.40 -0.30 -4.04 117.98 116.46 1ynn s PHE 540 Ca -0.00 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 55.72 1ynn s PHE 540 Cb 0.09 -1.69 0.21 0.00 0.51 0.00 0.00 43.02 42.14 1ynn s PHE 540 CO 0.80 0.34 1.11 -1.54 0.70 0.00 0.00 175.22 176.63 1ynn s SER 541 N -3.82 2.24 0.09 1.36 1.04 -1.26 -1.02 113.70 112.33 1ynn s SER 541 Ca 0.38 0.96 -0.22 0.00 0.48 0.00 0.00 55.95 57.55 1ynn s SER 541 Cb 0.00 -1.47 -0.12 0.00 0.10 0.00 0.00 66.02 64.53 1ynn s SER 541 CO 0.21 -3.34 1.71 0.25 0.98 0.00 0.00 173.24 173.05 1ynn h LEU 542 N -2.04 0.11 -0.39 2.42 7.12 -1.93 0.26 115.31 120.86 1ynn h LEU 542 Ca -0.51 -0.05 -0.08 0.00 0.13 0.00 0.00 57.88 57.36 1ynn h LEU 542 Cb 1.32 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 1ynn h LEU 542 CO 0.51 0.13 -0.06 0.78 -0.13 0.00 0.00 178.44 179.68 1ynn h ASN 543 N 0.08 0.73 -0.59 1.25 4.21 -1.94 0.37 115.58 119.68 1ynn h ASN 543 Ca 0.03 -0.34 0.12 0.00 1.21 0.00 0.00 56.30 57.32 1ynn h ASN 543 Cb 0.04 -0.20 -0.10 0.00 -1.12 0.00 0.00 38.32 36.95 1ynn h ASN 543 CO -0.01 0.90 0.04 0.74 -1.29 0.00 0.00 177.43 177.82 1ynn h THR 544 N 0.54 0.55 0.00 2.81 2.02 -1.80 -0.75 112.91 116.28 1ynn h THR 544 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1ynn h THR 544 Cb 0.56 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1ynn h THR 544 CO 0.03 0.03 0.00 0.59 0.37 0.00 0.00 175.52 176.54 1ynn n ASN 545 N -5.23 0.00 -0.85 4.18 3.02 0.08 -1.78 115.26 114.68 1ynn n ASN 545 Ca 0.08 -0.43 0.11 0.00 -0.03 0.00 0.00 54.58 54.31 1ynn n ASN 545 Cb 0.33 -0.02 0.29 0.00 -0.61 0.00 0.00 39.78 39.77 1ynn n ASN 545 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ynn n LEU 546 N -1.02 2.56 -4.39 3.41 4.77 -0.29 -4.82 117.00 117.22 1ynn n LEU 546 Ca 0.11 -1.07 -0.44 0.00 -0.03 0.00 0.00 56.01 54.57 1ynn n LEU 546 Cb 0.06 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 1ynn n LEU 546 CO 0.09 0.54 0.03 -0.63 -1.33 0.00 0.00 177.39 176.09 1ynn s ILE 547 N -1.67 5.23 0.01 -0.08 1.01 -0.73 -4.74 121.20 120.22 1ynn s ILE 547 Ca 0.35 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1ynn s ILE 547 Cb 0.20 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 1ynn s ILE 547 CO 0.29 -0.57 1.04 -0.65 0.00 0.00 0.00 174.94 175.05 1ynn h PRO 548 N 8.75 -0.02 -1.30 2.79 0.11 -1.87 -2.97 132.00 137.49 1ynn h PRO 548 Ca -0.28 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.13 1ynn h PRO 548 Cb 1.11 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.93 1ynn h PRO 548 CO 0.87 -0.01 0.81 1.19 -0.21 0.00 0.00 178.00 180.65 1ynn n PHE 549 N -3.03 3.14 -0.35 0.65 3.01 -1.26 -4.29 117.46 115.33 1ynn n PHE 549 Ca -0.00 -2.78 0.29 0.00 1.01 0.00 0.00 57.45 55.96 1ynn n PHE 549 Cb 0.02 -1.29 0.54 0.00 -0.01 0.00 0.00 39.48 38.75 1ynn n PHE 549 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1ynn h LEU 550 N 2.33 0.41 -0.43 4.37 5.85 -1.89 0.29 115.31 126.23 1ynn h LEU 550 Ca 0.58 0.20 0.04 0.00 0.84 0.00 0.00 57.88 59.54 1ynn h LEU 550 Cb 0.61 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1ynn h LEU 550 CO 1.49 -0.24 -0.25 -0.62 -0.34 0.00 0.00 178.44 178.49 1ynn n GLU 551 N -5.05 -0.18 -0.99 1.25 4.71 -1.26 -1.08 120.64 118.03 1ynn n GLU 551 Ca 0.35 0.65 -0.01 0.00 -0.01 0.00 0.00 57.16 58.13 1ynn n GLU 551 Cb 1.15 -0.96 0.35 0.00 -1.01 0.00 0.00 31.44 30.98 1ynn n GLU 551 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1ynn n HIS 552 N -4.54 2.36 -4.29 -0.32 8.25 0.10 -4.86 115.22 111.91 1ynn n HIS 552 Ca 0.01 -1.03 -0.35 0.00 -0.26 0.00 0.00 57.72 56.10 1ynn n HIS 552 Cb 0.12 -0.63 -0.10 0.00 1.12 0.00 0.00 29.99 30.49 1ynn n HIS 552 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ynn s ASP 553 N -0.93 5.27 0.27 0.41 1.01 -0.24 -1.00 116.67 121.46 1ynn s ASP 553 Ca 0.55 0.10 -0.29 0.00 0.71 0.00 0.00 52.55 53.62 1ynn s ASP 553 Cb 0.44 -1.65 -0.09 0.00 1.01 0.00 0.00 42.92 42.62 1ynn s ASP 553 CO 0.15 0.30 1.20 -0.62 0.21 0.00 0.00 175.17 176.41 1ynn s ASP 554 N -0.43 7.06 0.28 0.27 3.68 0.22 -4.91 116.67 122.84 1ynn s ASP 554 Ca 0.08 2.39 0.00 0.00 2.13 0.00 0.00 52.55 57.16 1ynn s ASP 554 Cb -0.12 -2.63 0.64 0.00 -1.45 0.00 0.00 42.92 39.36 1ynn s ASP 554 CO 0.02 -0.33 1.68 0.00 0.13 0.00 0.00 175.17 176.66 1ynn h ALA 555 N 4.14 1.23 -0.07 3.66 0.00 -1.94 -2.18 119.26 124.11 1ynn h ALA 555 Ca -0.47 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ynn h ALA 555 Cb 1.22 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ynn h ALA 555 CO 0.69 -0.38 0.03 -0.97 0.00 0.00 0.00 179.25 178.62 1ynn h ASN 556 N 0.30 0.09 0.33 0.00 -0.73 -1.97 -2.16 115.58 111.44 1ynn h ASN 556 Ca 0.51 -0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.49 1ynn h ASN 556 Cb 0.96 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 1ynn h ASN 556 CO -0.56 0.23 -0.16 -0.09 -0.37 0.00 0.00 177.43 176.47 1ynn h ARG 557 N -0.05 0.00 -0.09 6.67 9.65 -1.82 -2.85 114.38 125.89 1ynn h ARG 557 Ca 0.02 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.82 1ynn h ARG 557 Cb 0.17 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1ynn h ARG 557 CO -0.00 0.16 -0.31 0.00 2.80 0.00 0.00 179.97 182.62 1ynn h ALA 558 N 1.84 1.32 -0.33 2.80 0.00 -0.80 -2.47 119.26 121.62 1ynn h ALA 558 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1ynn h ALA 558 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ynn h ALA 558 CO 0.02 0.48 -0.07 1.37 0.00 0.00 0.00 179.25 181.05 1ynn h LEU 559 N 0.15 0.62 -0.43 0.00 8.10 -1.17 0.28 115.31 122.88 1ynn h LEU 559 Ca 0.02 -0.36 0.06 0.00 0.11 0.00 0.00 57.88 57.71 1ynn h LEU 559 Cb 0.63 -0.17 -0.05 0.00 -0.44 0.00 0.00 40.66 40.63 1ynn h LEU 559 CO 0.05 0.84 0.13 0.24 -4.11 0.00 0.00 178.44 175.59 1ynn h MET 560 N 0.40 0.28 -0.38 0.17 2.86 -1.55 0.25 114.93 116.97 1ynn h MET 560 Ca 0.08 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1ynn h MET 560 Cb 0.56 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1ynn h MET 560 CO 0.03 0.19 -0.06 0.78 1.06 0.00 0.00 176.91 178.91 1ynn h GLY 561 N 0.29 0.68 1.01 8.32 0.00 -1.39 -2.71 103.07 109.27 1ynn h GLY 561 Ca 0.20 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1ynn h GLY 561 CO -0.22 0.42 0.32 0.23 0.00 0.00 0.00 176.54 177.29 1ynn h SER 562 N 0.59 0.91 0.00 0.19 0.87 0.97 -3.35 113.55 113.73 1ynn h SER 562 Ca 0.11 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1ynn h SER 562 Cb 0.46 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1ynn h SER 562 CO 0.02 0.80 0.00 0.59 -0.53 0.00 0.00 176.83 177.71 1ynn n ASN 563 N -4.43 0.00 0.00 6.23 4.13 0.74 -4.36 115.26 117.56 1ynn n ASN 563 Ca 0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1ynn n ASN 563 Cb 0.14 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1ynn n ASN 563 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1ynn n MET 564 N 0.00 0.00 -0.36 3.52 2.81 -1.19 -3.55 117.12 118.35 1ynn n MET 564 Ca 0.00 0.00 0.27 0.00 -1.81 0.00 0.00 57.70 56.16 1ynn n MET 564 Cb 0.00 0.00 0.53 0.00 -0.71 0.00 0.00 33.22 33.04 1ynn n MET 564 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1ynn h GLN 565 N 0.00 0.28 -0.98 0.03 4.20 -1.76 1.80 115.11 118.68 1ynn h GLN 565 Ca 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1ynn h GLN 565 Cb 0.00 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.65 1ynn h GLN 565 CO 0.00 0.18 0.64 1.15 -0.67 0.00 0.00 178.83 180.13 1ynn h THR 566 N 0.29 1.11 0.00 -0.54 2.02 -1.80 -2.21 112.91 111.78 1ynn h THR 566 Ca 0.72 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1ynn h THR 566 Cb 1.86 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1ynn h THR 566 CO -0.47 0.22 0.00 0.00 0.37 0.00 0.00 175.52 175.63 1ynn n GLN 567 N -4.50 0.88 -2.15 6.66 6.02 0.61 -4.33 117.38 120.57 1ynn n GLN 567 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1ynn n GLN 567 Cb 0.15 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 1ynn n GLN 567 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ynn s ALA 568 N -2.00 3.07 -0.01 -1.58 0.00 -0.75 -0.22 121.76 120.28 1ynn s ALA 568 Ca 0.42 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1ynn s ALA 568 Cb 0.19 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1ynn s ALA 568 CO 0.32 -2.30 1.14 0.54 0.00 0.00 0.00 175.76 175.46 1ynn s VAL 569 N 5.83 4.34 0.22 0.00 0.11 -0.94 -4.28 120.40 125.67 1ynn s VAL 569 Ca 0.71 1.67 -0.32 0.00 -2.93 0.00 0.00 61.98 61.11 1ynn s VAL 569 Cb -0.21 -4.07 -0.14 0.00 -1.53 0.00 0.00 36.38 30.44 1ynn s VAL 569 CO 0.31 0.07 1.43 -0.81 -3.33 0.00 0.00 175.10 172.77 1ynn n PRO 570 N 4.50 1.99 -4.13 1.54 -0.04 -1.26 -4.77 135.00 132.83 1ynn n PRO 570 Ca 0.09 0.71 -0.23 0.00 -0.04 0.00 0.00 63.50 64.04 1ynn n PRO 570 Cb 0.47 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 1ynn n PRO 570 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ynn s LEU 571 N 0.29 3.74 0.07 1.53 1.02 -1.26 -4.37 118.68 119.69 1ynn s LEU 571 Ca 0.71 -0.28 -0.33 0.00 0.02 0.00 0.00 54.13 54.25 1ynn s LEU 571 Cb -0.67 -2.28 -0.18 0.00 0.02 0.00 0.00 46.19 43.07 1ynn s LEU 571 CO 0.47 -0.02 1.62 0.40 0.02 0.00 0.00 176.35 178.85 1ynn h ILE 572 N 1.63 0.32 -2.22 -0.59 2.04 -1.75 -2.80 117.51 114.13 1ynn h ILE 572 Ca -0.48 0.00 -0.80 0.00 1.00 0.00 0.00 64.86 64.58 1ynn h ILE 572 Cb 1.23 0.32 -0.26 0.00 -0.74 0.00 0.00 36.82 37.38 1ynn h ILE 572 CO 0.61 0.00 1.14 0.54 0.00 0.00 0.00 178.15 180.44 1ynn n ARG 573 N -5.48 5.26 -1.50 2.37 1.74 -1.26 -5.00 116.66 112.78 1ynn n ARG 573 Ca -0.13 -4.54 -0.40 0.00 -0.77 0.00 0.00 57.85 52.01 1ynn n ARG 573 Cb 0.37 -2.49 0.03 0.00 -1.02 0.00 0.00 32.46 29.34 1ynn n ARG 573 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ynn n ALA 574 N 0.29 -0.88 -3.66 7.54 0.00 -1.06 -4.90 120.51 117.85 1ynn n ALA 574 Ca 0.46 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.90 1ynn n ALA 574 Cb 0.27 -1.88 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 1ynn n ALA 574 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ynn s GLN 575 N -1.98 0.57 0.65 0.00 -2.07 -1.19 -4.82 119.66 110.82 1ynn s GLN 575 Ca 0.67 1.10 -0.16 0.00 -1.82 0.00 0.00 55.36 55.14 1ynn s GLN 575 Cb -0.51 0.17 -0.00 0.00 -1.09 0.00 0.00 33.01 31.58 1ynn s GLN 575 CO 0.55 -0.16 1.17 0.00 -1.32 0.00 0.00 175.29 175.53 1ynn s ALA 576 N 1.74 2.39 0.66 2.60 0.00 -1.26 -4.34 121.76 123.55 1ynn s ALA 576 Ca -0.09 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1ynn s ALA 576 Cb -0.07 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1ynn s ALA 576 CO -0.17 -1.40 1.10 -1.25 0.00 0.00 0.00 175.76 174.05 1ynn s PRO 577 N -3.75 2.84 0.50 0.00 0.04 -1.26 -4.82 135.00 128.55 1ynn s PRO 577 Ca 0.73 1.36 0.27 0.00 0.04 0.00 0.00 61.00 63.40 1ynn s PRO 577 Cb -0.26 -1.96 1.34 0.00 0.04 0.00 0.00 34.50 33.66 1ynn s PRO 577 CO 0.39 -1.22 2.02 -0.39 0.04 0.00 0.00 177.00 177.84 1ynn h VAL 578 N 0.03 0.55 -3.29 -0.36 -1.51 -1.92 -3.41 116.25 106.34 1ynn h VAL 578 Ca -0.47 -0.67 -0.51 0.00 -1.23 0.00 0.00 66.70 63.82 1ynn h VAL 578 Cb 1.24 1.44 -0.35 0.00 -2.13 0.00 0.00 31.29 31.49 1ynn h VAL 578 CO 0.54 0.14 -0.81 -0.69 -1.23 0.00 0.00 177.57 175.53 1ynn s VAL 579 N -4.06 1.04 0.48 7.19 1.01 -1.26 -0.74 120.40 124.05 1ynn s VAL 579 Ca -0.02 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1ynn s VAL 579 Cb 0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1ynn s VAL 579 CO 0.59 0.35 0.01 -0.04 0.00 0.00 0.00 175.10 176.02 1ynn s MET 580 N 1.24 2.11 -0.10 2.72 1.00 -0.19 -4.87 119.30 121.22 1ynn s MET 580 Ca -0.04 -2.32 0.14 0.00 0.00 0.00 0.00 55.69 53.47 1ynn s MET 580 Cb -0.14 -1.47 0.40 0.00 0.00 0.00 0.00 34.83 33.62 1ynn s MET 580 CO -0.03 -0.30 1.31 0.25 0.00 0.00 0.00 175.02 176.25 1ynn n THR 581 N -1.16 1.70 0.00 2.05 -2.24 -1.26 -0.33 114.28 113.04 1ynn n THR 581 Ca -0.15 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 1ynn n THR 581 Cb 0.67 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1ynn n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ynn n GLY 582 N -0.20 1.78 0.17 3.38 0.00 -1.26 -4.52 105.19 104.55 1ynn n GLY 582 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ynn n GLY 582 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ynn n LEU 583 N 0.00 0.00 0.24 0.99 4.77 -1.26 -2.71 117.00 119.03 1ynn n LEU 583 Ca 0.00 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1ynn n LEU 583 Cb 0.00 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 1ynn n LEU 583 CO 0.00 -0.26 0.86 1.05 -1.33 0.00 0.00 177.39 177.71 1ynn h GLU 584 N 0.00 0.00 0.27 3.23 9.09 -1.94 -2.69 114.58 122.54 1ynn h GLU 584 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1ynn h GLU 584 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.62 1ynn h GLU 584 CO 0.00 0.12 -0.13 1.49 0.05 0.00 0.00 179.01 180.54 1ynn h GLU 585 N 0.00 -0.35 0.00 1.06 4.22 -1.68 -0.10 114.58 117.74 1ynn h GLU 585 Ca -0.00 0.02 -0.19 0.00 0.08 0.00 0.00 59.36 59.28 1ynn h GLU 585 Cb 0.72 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1ynn h GLU 585 CO 0.02 -0.16 -0.86 -0.09 -2.18 0.00 0.00 179.01 175.73 1ynn h ARG 586 N -0.45 0.09 -0.60 1.92 9.65 -1.75 -3.03 114.38 120.21 1ynn h ARG 586 Ca -0.04 -0.10 -0.10 0.00 -1.10 0.00 0.00 59.98 58.64 1ynn h ARG 586 Cb 0.34 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1ynn h ARG 586 CO 0.06 0.89 -0.02 0.28 2.80 0.00 0.00 179.97 183.99 1ynn h VAL 587 N 0.05 1.27 -0.20 0.20 2.07 -1.62 -1.17 116.25 116.85 1ynn h VAL 587 Ca -0.03 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1ynn h VAL 587 Cb 1.50 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1ynn h VAL 587 CO 0.12 0.42 0.13 0.58 0.02 0.00 0.00 177.57 178.84 1ynn h VAL 588 N 0.97 1.06 -0.24 2.57 2.07 -1.65 -3.06 116.25 117.98 1ynn h VAL 588 Ca 0.17 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1ynn h VAL 588 Cb 0.58 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1ynn h VAL 588 CO 0.03 0.06 0.09 -0.09 0.02 0.00 0.00 177.57 177.69 1ynn h ARG 589 N 0.26 0.36 0.00 1.57 2.43 -1.33 -2.90 114.38 114.76 1ynn h ARG 589 Ca 0.07 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1ynn h ARG 589 Cb -0.01 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1ynn h ARG 589 CO -0.01 0.40 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.30 1ynn h ASP 590 N 0.23 0.00 0.88 -3.80 5.19 -1.31 -2.86 116.42 114.75 1ynn h ASP 590 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1ynn h ASP 590 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1ynn h ASP 590 CO -0.01 0.11 0.00 0.77 -3.12 0.00 0.00 179.24 176.99 1ynn h SER 591 N 0.00 0.00 -1.51 6.45 4.64 -1.40 -3.47 113.55 118.26 1ynn h SER 591 Ca -0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1ynn h SER 591 Cb 0.66 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.64 1ynn h SER 591 CO 0.01 0.00 -0.29 0.18 -0.87 0.00 0.00 176.83 175.86 1ynn n LEU 592 N -2.50 -1.14 0.10 5.97 4.77 -1.08 -4.80 117.00 118.32 1ynn n LEU 592 Ca 0.02 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1ynn n LEU 592 Cb 0.27 -2.24 0.45 0.00 -2.33 0.00 0.00 43.42 39.57 1ynn n LEU 592 CO 0.23 -0.73 0.87 0.00 -1.33 0.00 0.00 177.39 176.43 1ynn n ALA 593 N 0.43 2.01 -2.39 -1.18 0.00 -1.26 -4.78 120.51 113.34 1ynn n ALA 593 Ca -0.15 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1ynn n ALA 593 Cb 0.51 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1ynn n ALA 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ynn s ALA 594 N -3.17 2.15 0.40 0.00 0.00 -1.26 -4.21 121.76 115.67 1ynn s ALA 594 Ca 0.08 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.55 1ynn s ALA 594 Cb 0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 1ynn s ALA 594 CO 0.50 0.50 0.96 -1.17 0.00 0.00 0.00 175.76 176.54 1ynn s LEU 595 N -1.45 4.05 -0.03 0.00 2.96 -0.96 -4.98 118.68 118.26 1ynn s LEU 595 Ca 0.11 1.75 -0.12 0.00 -0.22 0.00 0.00 54.13 55.65 1ynn s LEU 595 Cb -0.10 -4.39 0.02 0.00 0.50 0.00 0.00 46.19 42.22 1ynn s LEU 595 CO 0.03 -0.31 0.27 -0.31 -1.32 0.00 0.00 176.35 174.71 1ynn s TYR 596 N -2.00 -0.17 0.75 5.38 1.51 -1.26 -2.30 117.35 119.25 1ynn s TYR 596 Ca 0.59 0.30 -0.15 0.00 -1.01 0.00 0.00 57.07 56.80 1ynn s TYR 596 Cb -0.12 0.07 0.05 0.00 -0.11 0.00 0.00 41.96 41.84 1ynn s TYR 596 CO 0.17 -0.32 1.25 0.00 -1.11 0.00 0.00 175.55 175.53 1ynn s ALA 597 N -1.02 2.04 -0.23 3.71 0.00 -1.13 -4.85 121.76 120.28 1ynn s ALA 597 Ca -0.11 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1ynn s ALA 597 Cb -0.05 -3.52 -0.16 0.00 0.00 0.00 0.00 23.12 19.38 1ynn s ALA 597 CO 0.03 -2.04 -0.01 0.39 0.00 0.00 0.00 175.76 174.13 1ynn n GLU 598 N -2.76 0.57 -3.49 0.00 1.02 -1.26 -3.96 120.64 110.75 1ynn n GLU 598 Ca 0.15 0.46 -0.09 0.00 -0.02 0.00 0.00 57.16 57.65 1ynn n GLU 598 Cb 0.49 -1.65 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 1ynn n GLU 598 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ynn s GLU 599 N -2.42 0.32 -0.21 3.49 2.56 -1.26 -4.79 118.70 116.38 1ynn s GLU 599 Ca -0.32 0.73 -0.19 0.00 0.00 0.00 0.00 54.97 55.18 1ynn s GLU 599 Cb 0.09 -0.16 -0.08 0.00 2.00 0.00 0.00 34.13 35.98 1ynn s GLU 599 CO 0.55 -0.47 0.80 -0.40 -0.56 0.00 0.00 175.26 175.18 1ynn n ASP 600 N 5.37 0.42 0.00 -1.70 5.75 -1.26 -4.12 116.55 121.01 1ynn n ASP 600 Ca -0.06 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1ynn n ASP 600 Cb 0.50 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1ynn n ASP 600 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ynn n GLY 601 N 2.47 5.02 2.91 6.12 0.00 -1.26 -3.37 105.19 117.09 1ynn n GLY 601 Ca 0.18 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 1ynn n GLY 601 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ynn s GLU 602 N 3.93 0.23 0.35 1.61 2.12 0.17 -0.13 118.70 126.99 1ynn s GLU 602 Ca 0.00 -0.09 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 1ynn s GLU 602 Cb 0.00 -0.24 -0.08 0.00 0.26 0.00 0.00 34.13 34.07 1ynn s GLU 602 CO 0.00 0.05 0.75 0.08 -0.54 0.00 0.00 175.26 175.60 1ynn s VAL 603 N -0.01 4.70 0.00 3.70 1.01 -0.99 -0.45 120.40 128.37 1ynn s VAL 603 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1ynn s VAL 603 Cb -0.02 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1ynn s VAL 603 CO -0.00 -0.28 0.00 0.52 0.00 0.00 0.00 175.10 175.34 1ynn n VAL 604 N -0.63 0.00 -3.99 2.92 0.31 -0.93 -2.19 118.33 113.83 1ynn n VAL 604 Ca 0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.05 1ynn n VAL 604 Cb 0.53 -0.34 -0.16 0.00 -0.91 0.00 0.00 33.84 32.97 1ynn n VAL 604 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ynn s LYS 605 N -1.60 1.90 -0.33 5.55 1.02 -0.97 -4.76 119.74 120.56 1ynn s LYS 605 Ca 0.00 -1.03 -0.01 0.00 0.02 0.00 0.00 55.97 54.95 1ynn s LYS 605 Cb 0.00 -2.61 0.11 0.00 -0.52 0.00 0.00 37.83 34.81 1ynn s LYS 605 CO 0.00 -0.54 0.13 0.08 -0.92 0.00 0.00 175.35 174.10 1ynn s VAL 606 N 1.32 0.73 0.17 3.17 1.01 -1.26 -0.45 120.40 125.09 1ynn s VAL 606 Ca -0.05 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.50 1ynn s VAL 606 Cb -0.18 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1ynn s VAL 606 CO -0.07 -0.74 0.12 -0.90 0.00 0.00 0.00 175.10 173.51 1ynn n ASP 607 N 4.68 0.05 -0.36 3.32 5.75 -0.76 -4.89 116.55 124.35 1ynn n ASP 607 Ca -0.00 -2.06 0.09 0.00 -0.01 0.00 0.00 54.79 52.81 1ynn n ASP 607 Cb 0.41 0.72 0.26 0.00 -1.03 0.00 0.00 41.12 41.48 1ynn n ASP 607 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ynn h GLY 608 N 0.93 1.69 0.00 6.12 0.00 -2.00 -3.22 103.07 106.59 1ynn h GLY 608 Ca -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1ynn h GLY 608 CO 0.19 0.09 -1.51 -1.30 0.00 0.00 0.00 176.54 174.00 1ynn n THR 609 N -4.67 0.00 -4.05 4.70 -2.24 -1.26 -4.79 114.28 101.98 1ynn n THR 609 Ca 0.20 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1ynn n THR 609 Cb 0.42 0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 1ynn n THR 609 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ynn s ARG 610 N -3.11 0.39 -0.13 -0.78 1.70 -1.22 -1.36 118.95 114.44 1ynn s ARG 610 Ca -0.02 -0.49 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 1ynn s ARG 610 Cb 0.13 -0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.32 1ynn s ARG 610 CO 0.77 0.04 -0.14 0.42 -1.08 0.00 0.00 175.30 175.32 1ynn s ILE 611 N -0.89 1.49 0.08 4.99 1.01 0.68 -1.83 121.20 126.73 1ynn s ILE 611 Ca -0.07 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.08 1ynn s ILE 611 Cb -0.07 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1ynn s ILE 611 CO -0.00 0.44 -0.25 0.00 0.00 0.00 0.00 174.94 175.13 1ynn s ALA 612 N 1.36 2.36 -0.04 9.38 0.00 0.40 0.17 121.76 135.40 1ynn s ALA 612 Ca 0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1ynn s ALA 612 Cb -0.13 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1ynn s ALA 612 CO -0.08 0.54 0.07 0.54 0.00 0.00 0.00 175.76 176.84 1ynn s VAL 613 N -0.94 -0.10 -0.25 0.00 0.11 -0.58 -2.18 120.40 116.46 1ynn s VAL 613 Ca 0.13 0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 59.21 1ynn s VAL 613 Cb -0.10 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1ynn s VAL 613 CO 0.04 0.13 1.67 -0.60 -3.33 0.00 0.00 175.10 173.02 1ynn s ARG 614 N 1.66 3.68 0.75 1.54 3.52 0.41 -3.74 118.95 126.77 1ynn s ARG 614 Ca -0.02 1.61 -0.05 0.00 -0.13 0.00 0.00 55.73 57.14 1ynn s ARG 614 Cb -0.12 -4.08 0.12 0.00 -1.56 0.00 0.00 34.95 29.30 1ynn s ARG 614 CO -0.04 -1.44 1.05 0.71 -0.81 0.00 0.00 175.30 174.77 1ynn s TYR 615 N 5.65 2.07 -0.33 5.12 4.12 -1.25 0.46 117.35 133.19 1ynn s TYR 615 Ca 0.74 0.06 -0.28 0.00 0.02 0.00 0.00 57.07 57.61 1ynn s TYR 615 Cb -0.25 -3.26 -0.02 0.00 -1.52 0.00 0.00 41.96 36.92 1ynn s TYR 615 CO 0.31 -1.74 1.84 -1.83 0.02 0.00 0.00 175.55 174.15 1ynn s GLU 616 N -5.29 3.28 1.82 -0.62 4.04 -1.22 -4.62 118.70 116.10 1ynn s GLU 616 Ca 0.65 1.45 0.00 0.00 0.04 0.00 0.00 54.97 57.11 1ynn s GLU 616 Cb -0.07 -4.22 0.00 0.00 0.02 0.00 0.00 34.13 29.86 1ynn s GLU 616 CO 0.46 -1.92 0.00 -0.40 -1.84 0.00 0.00 175.26 171.55 1ynn n ASP 617 N 10.54 0.00 0.00 0.83 5.68 -1.26 -4.76 116.55 127.58 1ynn n ASP 617 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1ynn n ASP 617 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1ynn n ASP 617 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ynn n GLY 618 N 0.00 0.00 7.00 6.12 0.00 -1.26 -4.62 105.19 112.43 1ynn n GLY 618 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ynn n GLY 618 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ynn n ARG 619 N 0.58 0.00 -3.72 1.61 -4.01 -1.26 -4.88 116.66 104.98 1ynn n ARG 619 Ca 0.00 0.00 -0.16 0.00 -1.04 0.00 0.00 57.85 56.65 1ynn n ARG 619 Cb 0.01 0.00 -0.16 0.00 -3.04 0.00 0.00 32.46 29.27 1ynn n ARG 619 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 1ynn s LEU 620 N 0.00 0.51 -0.10 2.89 0.20 -1.26 -3.75 118.68 117.17 1ynn s LEU 620 Ca 0.00 0.18 0.01 0.00 0.69 0.00 0.00 54.13 55.01 1ynn s LEU 620 Cb 0.00 0.11 -0.02 0.00 -0.43 0.00 0.00 46.19 45.84 1ynn s LEU 620 CO 0.00 -0.19 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.06 1ynn s VAL 621 N 1.63 3.22 -0.16 1.68 1.01 -1.25 -5.03 120.40 121.50 1ynn s VAL 621 Ca -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1ynn s VAL 621 Cb -0.12 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1ynn s VAL 621 CO -0.04 0.55 0.17 -0.70 0.00 0.00 0.00 175.10 175.08 1ynn s GLU 622 N -0.15 4.00 -0.26 2.72 2.12 -1.26 -1.52 118.70 124.34 1ynn s GLU 622 Ca 0.00 -0.11 -0.05 0.00 0.36 0.00 0.00 54.97 55.17 1ynn s GLU 622 Cb -0.13 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.91 1ynn s GLU 622 CO 0.03 0.42 0.02 -1.01 -0.54 0.00 0.00 175.26 174.19 1ynn s HIS 623 N -0.03 3.09 0.30 5.30 3.76 0.45 -4.94 115.29 123.21 1ynn s HIS 623 Ca 0.12 -1.03 -0.29 0.00 -0.15 0.00 0.00 55.06 53.71 1ynn s HIS 623 Cb -0.12 -2.18 -0.10 0.00 1.11 0.00 0.00 32.58 31.30 1ynn s HIS 623 CO 0.01 -0.58 1.11 -2.14 -0.85 0.00 0.00 174.74 172.29 1ynn s PRO 624 N 1.47 4.56 -0.29 8.40 0.02 -1.26 -0.23 135.00 147.67 1ynn s PRO 624 Ca 0.03 1.81 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 1ynn s PRO 624 Cb -0.16 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1ynn s PRO 624 CO -0.00 0.14 0.19 -0.51 -0.33 0.00 0.00 177.00 176.49 1ynn s LEU 625 N -1.60 4.09 0.16 -5.54 2.01 -0.47 -4.94 118.68 112.39 1ynn s LEU 625 Ca 0.46 -0.13 -0.32 0.00 0.01 0.00 0.00 54.13 54.16 1ynn s LEU 625 Cb -0.32 -2.11 -0.12 0.00 0.01 0.00 0.00 46.19 43.66 1ynn s LEU 625 CO 0.41 -0.09 1.77 0.54 1.01 0.00 0.00 176.35 179.99 1ynn n ARG 626 N 5.06 2.73 -3.90 1.70 1.74 -1.26 -4.87 116.66 117.86 1ynn n ARG 626 Ca -0.14 0.99 -0.27 0.00 -0.77 0.00 0.00 57.85 57.66 1ynn n ARG 626 Cb 0.51 -2.85 -0.17 0.00 -1.02 0.00 0.00 32.46 28.93 1ynn n ARG 626 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ynn s ARG 627 N 1.98 1.48 -1.44 5.56 1.81 -1.26 -0.60 118.95 126.49 1ynn s ARG 627 Ca 0.79 -0.30 -0.02 0.00 -1.72 0.00 0.00 55.73 54.49 1ynn s ARG 627 Cb -0.51 -1.66 0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1ynn s ARG 627 CO 0.36 -0.30 0.43 0.66 -0.68 0.00 0.00 175.30 175.77 1ynn n TYR 628 N 4.94 -1.65 -0.01 -0.53 4.02 -1.26 -5.00 117.16 117.67 1ynn n TYR 628 Ca -0.12 0.75 0.00 0.00 -0.01 0.00 0.00 57.90 58.52 1ynn n TYR 628 Cb 0.50 -3.65 0.00 0.00 -0.02 0.00 0.00 39.34 36.16 1ynn n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ynn n ALA 629 N -4.41 0.00 -3.58 -0.72 0.00 -1.07 -4.95 120.51 105.78 1ynn n ALA 629 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 1ynn n ALA 629 Cb 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 1ynn n ALA 629 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ynn s ARG 630 N -0.07 0.11 1.00 0.00 3.52 -1.26 -4.13 118.95 118.11 1ynn s ARG 630 Ca 0.00 0.33 -0.14 0.00 -0.13 0.00 0.00 55.73 55.79 1ynn s ARG 630 Cb 0.00 -0.12 0.19 0.00 -1.56 0.00 0.00 34.95 33.45 1ynn s ARG 630 CO 0.00 -0.13 1.14 -1.12 -0.81 0.00 0.00 175.30 174.38 1ynn s SER 631 N 0.93 2.72 0.64 -2.12 0.01 -1.26 -4.81 113.70 109.81 1ynn s SER 631 Ca -0.07 0.87 0.39 0.00 1.31 0.00 0.00 55.95 58.45 1ynn s SER 631 Cb -0.09 -1.35 2.22 0.00 0.21 0.00 0.00 66.02 67.01 1ynn s SER 631 CO -0.05 -3.04 2.33 0.78 0.41 0.00 0.00 173.24 173.68 1ynn h ASN 632 N -1.83 0.00 -0.16 2.44 -0.26 -1.87 -2.97 115.58 110.93 1ynn h ASN 632 Ca -0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 1ynn h ASN 632 Cb 1.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 1ynn h ASN 632 CO 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.90 1ynn n GLN 633 N -3.36 1.97 -0.63 0.81 1.13 -1.26 -4.94 117.38 111.10 1ynn n GLN 633 Ca -0.03 -1.56 0.00 0.00 -1.94 0.00 0.00 57.00 53.47 1ynn n GLN 633 Cb 0.07 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1ynn n GLN 633 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ynn n GLY 634 N 0.25 0.64 0.21 1.08 0.00 -1.12 -4.97 105.19 101.27 1ynn n GLY 634 Ca 0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1ynn n GLY 634 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ynn h THR 635 N 0.00 1.32 -3.94 2.61 2.02 -1.84 -2.76 112.91 110.33 1ynn h THR 635 Ca 0.00 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1ynn h THR 635 Cb 0.00 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1ynn h THR 635 CO 0.00 0.54 -0.19 0.00 0.37 0.00 0.00 175.52 176.24 1ynn n ALA 636 N -2.51 -2.92 -2.70 6.16 0.00 -1.26 -4.55 120.51 112.72 1ynn n ALA 636 Ca -0.03 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.49 1ynn n ALA 636 Cb 0.58 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 1ynn n ALA 636 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ynn s PHE 637 N -1.76 3.52 -0.00 0.00 5.36 -1.26 -4.87 117.98 118.96 1ynn s PHE 637 Ca 0.09 0.73 -0.14 0.00 -0.96 0.00 0.00 56.93 56.65 1ynn s PHE 637 Cb -0.03 -2.37 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 1ynn s PHE 637 CO 0.32 0.31 0.28 0.34 -1.46 0.00 0.00 175.22 175.01 1ynn s ASP 638 N 0.19 -0.15 -0.03 6.13 2.15 -1.26 -2.58 116.67 121.12 1ynn s ASP 638 Ca 0.20 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1ynn s ASP 638 Cb -0.14 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.75 1ynn s ASP 638 CO 0.07 -0.47 0.01 -1.10 -0.17 0.00 0.00 175.17 173.51 1ynn s GLN 639 N -1.56 2.87 -0.03 4.34 -0.21 0.24 -3.44 119.66 121.86 1ynn s GLN 639 Ca -0.12 -0.53 0.06 0.00 0.02 0.00 0.00 55.36 54.78 1ynn s GLN 639 Cb -0.05 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 1ynn s GLN 639 CO 0.03 0.65 -0.21 1.03 -2.12 0.00 0.00 175.29 174.67 1ynn s ARG 640 N -1.35 1.90 0.50 2.91 0.52 -1.03 -4.81 118.95 117.59 1ynn s ARG 640 Ca 0.18 -0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 54.45 1ynn s ARG 640 Cb -0.11 -1.72 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 1ynn s ARG 640 CO 0.08 0.37 1.08 -1.25 0.02 0.00 0.00 175.30 175.59 1ynn s PRO 641 N -0.25 3.64 0.00 3.54 0.04 -1.26 0.74 135.00 141.46 1ynn s PRO 641 Ca 0.02 1.47 0.20 0.00 0.04 0.00 0.00 61.00 62.73 1ynn s PRO 641 Cb -0.10 -2.08 0.34 0.00 0.04 0.00 0.00 34.50 32.69 1ynn s PRO 641 CO 0.01 -0.58 1.13 0.54 0.04 0.00 0.00 177.00 178.14 1ynn n ARG 642 N -1.06 0.00 -4.16 4.56 5.12 -1.05 -4.78 116.66 115.30 1ynn n ARG 642 Ca 0.10 -1.77 -0.13 0.00 -1.93 0.00 0.00 57.85 54.12 1ynn n ARG 642 Cb 0.52 -0.05 -0.11 0.00 -1.16 0.00 0.00 32.46 31.66 1ynn n ARG 642 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ynn s VAL 643 N 0.00 0.79 -0.13 1.55 1.01 -1.25 -4.91 120.40 117.45 1ynn s VAL 643 Ca 0.27 -1.69 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 1ynn s VAL 643 Cb 0.31 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1ynn s VAL 643 CO -0.13 -0.67 0.17 -0.60 0.00 0.00 0.00 175.10 173.87 1ynn s ARG 644 N -3.07 3.66 -0.55 2.72 6.06 -1.26 -5.02 118.95 121.50 1ynn s ARG 644 Ca 0.06 -0.09 -0.28 0.00 -2.50 0.00 0.00 55.73 52.93 1ynn s ARG 644 Cb -0.00 -3.25 -0.10 0.00 0.06 0.00 0.00 34.95 31.66 1ynn s ARG 644 CO -0.02 0.66 2.44 0.28 -2.50 0.00 0.00 175.30 176.16 1ynn n VAL 645 N 2.34 -0.03 -0.86 7.11 0.31 -1.26 -3.68 118.33 122.26 1ynn n VAL 645 Ca -0.18 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 1ynn n VAL 645 Cb 0.54 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1ynn n VAL 645 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ynn n GLY 646 N 6.11 -1.66 3.55 2.92 0.00 -0.93 -4.96 105.19 110.22 1ynn n GLY 646 Ca 0.42 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1ynn n GLY 646 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ynn s GLN 647 N -0.27 0.67 0.35 1.61 -2.07 -1.24 -4.93 119.66 113.79 1ynn s GLN 647 Ca 0.00 0.00 -0.27 0.00 -1.82 0.00 0.00 55.36 53.27 1ynn s GLN 647 Cb 0.00 0.32 -0.09 0.00 -1.09 0.00 0.00 33.01 32.14 1ynn s GLN 647 CO 0.00 -0.24 1.16 -0.98 -1.32 0.00 0.00 175.29 173.91 1ynn s ARG 648 N -1.78 4.30 0.21 9.60 1.04 -1.26 -2.34 118.95 128.72 1ynn s ARG 648 Ca 0.00 1.87 0.08 0.00 -1.04 0.00 0.00 55.73 56.65 1ynn s ARG 648 Cb -0.01 -2.90 -0.04 0.00 -2.04 0.00 0.00 34.95 29.97 1ynn s ARG 648 CO -0.01 -0.12 -0.00 0.14 -0.04 0.00 0.00 175.30 175.26 1ynn s VAL 649 N -1.30 3.59 -0.34 4.99 -7.23 0.81 -4.97 120.40 115.95 1ynn s VAL 649 Ca 0.52 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1ynn s VAL 649 Cb -0.32 -2.85 0.07 0.00 0.56 0.00 0.00 36.38 33.84 1ynn s VAL 649 CO 0.41 -0.22 2.59 1.17 -0.31 0.00 0.00 175.10 178.74 1ynn n LYS 650 N -0.45 2.09 -0.06 4.82 4.81 -1.26 -4.21 118.16 123.89 1ynn n LYS 650 Ca -0.08 -1.83 0.00 0.00 -0.87 0.00 0.00 58.31 55.53 1ynn n LYS 650 Cb 0.57 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1ynn n LYS 650 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ynn n LYS 651 N 0.91 0.00 0.00 1.64 5.02 -1.26 -1.92 118.16 122.55 1ynn n LYS 651 Ca 0.40 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1ynn n LYS 651 Cb 0.60 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.54 1ynn n LYS 651 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ynn n GLY 652 N -1.44 0.00 3.91 0.72 0.00 -1.25 -4.27 105.19 102.86 1ynn n GLY 652 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ynn n GLY 652 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ynn s ASP 653 N 0.00 6.21 -0.39 1.61 2.15 -0.81 -4.40 116.67 121.04 1ynn s ASP 653 Ca 0.00 0.89 -0.45 0.00 0.43 0.00 0.00 52.55 53.42 1ynn s ASP 653 Cb 0.00 -2.20 -0.19 0.00 -0.30 0.00 0.00 42.92 40.23 1ynn s ASP 653 CO 0.00 -0.61 1.54 0.00 -0.17 0.00 0.00 175.17 175.93 1ynn n LEU 654 N -2.27 1.18 -0.07 -1.34 -0.00 -1.26 -2.84 117.00 110.39 1ynn n LEU 654 Ca 0.01 1.17 -0.16 0.00 -0.00 0.00 0.00 56.01 57.03 1ynn n LEU 654 Cb 0.55 -0.92 -0.14 0.00 -0.00 0.00 0.00 43.42 42.91 1ynn n LEU 654 CO 0.53 -0.95 -1.07 0.18 -0.00 0.00 0.00 177.39 176.08 1ynn n LEU 655 N 3.77 2.04 -3.66 1.47 4.32 -0.98 -4.81 117.00 119.16 1ynn n LEU 655 Ca 0.29 0.05 -0.14 0.00 -0.02 0.00 0.00 56.01 56.18 1ynn n LEU 655 Cb -0.01 -0.55 -0.08 0.00 -1.62 0.00 0.00 43.42 41.15 1ynn n LEU 655 CO 0.84 0.76 0.25 0.00 -1.22 0.00 0.00 177.39 178.03 1ynn s ALA 656 N -2.53 -1.38 0.56 -1.18 0.00 -1.19 -2.52 121.76 113.52 1ynn s ALA 656 Ca -0.23 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1ynn s ALA 656 Cb 0.08 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1ynn s ALA 656 CO 0.72 -0.28 0.96 -0.51 0.00 0.00 0.00 175.76 176.65 1ynn s ASP 657 N -0.23 6.34 0.00 0.00 1.01 0.23 -2.27 116.67 121.76 1ynn s ASP 657 Ca -0.04 1.35 0.00 0.00 0.71 0.00 0.00 52.55 54.57 1ynn s ASP 657 Cb -0.03 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1ynn s ASP 657 CO 0.03 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.29 1ynn n GLY 658 N -2.31 1.03 0.13 0.21 0.00 -1.26 -2.46 105.19 100.53 1ynn n GLY 658 Ca 0.05 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 1ynn n GLY 658 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ynn n PRO 659 N 0.00 0.64 -1.23 1.61 -0.04 -1.22 -4.37 135.00 130.39 1ynn n PRO 659 Ca 0.00 0.26 -0.24 0.00 -0.04 0.00 0.00 63.50 63.48 1ynn n PRO 659 Cb 0.00 -1.58 0.18 0.00 -0.04 0.00 0.00 33.50 32.06 1ynn n PRO 659 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ynn n ALA 660 N -3.54 5.63 -3.00 0.55 0.00 -1.26 -4.55 120.51 114.34 1ynn n ALA 660 Ca -0.44 -2.92 -0.32 0.00 0.00 0.00 0.00 53.44 49.76 1ynn n ALA 660 Cb 0.93 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 1ynn n ALA 660 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ynn s SER 661 N -1.32 3.56 -0.28 0.00 0.15 -1.26 0.19 113.70 114.74 1ynn s SER 661 Ca 0.57 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.83 1ynn s SER 661 Cb 0.48 -1.33 0.07 0.00 -1.71 0.00 0.00 66.02 63.53 1ynn s SER 661 CO 0.10 0.20 -0.05 -0.70 1.20 0.00 0.00 173.24 173.99 1ynn s GLU 662 N 0.14 1.88 -1.60 5.44 2.12 -1.03 -4.46 118.70 121.19 1ynn s GLU 662 Ca -0.10 -1.40 -0.03 0.00 0.36 0.00 0.00 54.97 53.80 1ynn s GLU 662 Cb -0.16 -2.88 0.01 0.00 0.26 0.00 0.00 34.13 31.36 1ynn s GLU 662 CO 0.06 -0.68 0.36 0.39 -0.54 0.00 0.00 175.26 174.85 1ynn n GLU 663 N 4.45 -3.58 -1.43 4.30 -0.58 -1.26 -1.71 120.64 120.83 1ynn n GLU 663 Ca -0.09 0.91 -0.05 0.00 -0.42 0.00 0.00 57.16 57.51 1ynn n GLU 663 Cb 0.42 -5.68 -0.01 0.00 -0.57 0.00 0.00 31.44 25.60 1ynn n GLU 663 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ynn n GLY 664 N -1.29 0.56 3.10 0.62 0.00 -1.26 -5.02 105.19 101.90 1ynn n GLY 664 Ca -0.16 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1ynn n GLY 664 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ynn s PHE 665 N -2.19 2.41 -0.24 1.61 0.40 -0.70 -4.22 117.98 115.05 1ynn s PHE 665 Ca 0.00 -1.27 -0.34 0.00 -0.60 0.00 0.00 56.93 54.72 1ynn s PHE 665 Cb 0.00 -1.69 -0.11 0.00 0.51 0.00 0.00 43.02 41.74 1ynn s PHE 665 CO 0.00 -0.63 2.07 -0.11 0.70 0.00 0.00 175.22 177.25 1ynn n LEU 666 N 4.35 2.76 -4.04 -0.37 7.94 -0.05 -2.47 117.00 125.12 1ynn n LEU 666 Ca -0.19 0.60 -0.34 0.00 -1.11 0.00 0.00 56.01 54.96 1ynn n LEU 666 Cb 0.51 -1.34 -0.11 0.00 0.53 0.00 0.00 43.42 43.01 1ynn n LEU 666 CO 0.25 -0.49 -0.02 0.00 -1.11 0.00 0.00 177.39 176.01 1ynn s ALA 667 N 6.23 3.52 -2.23 1.96 0.00 0.51 -4.45 121.76 127.30 1ynn s ALA 667 Ca 1.02 -3.31 0.22 0.00 0.00 0.00 0.00 51.96 49.89 1ynn s ALA 667 Cb -0.73 -2.50 0.53 0.00 0.00 0.00 0.00 23.12 20.43 1ynn s ALA 667 CO 0.49 -2.09 1.46 1.28 0.00 0.00 0.00 175.76 176.90 1ynn n LEU 668 N 3.28 3.40 0.00 0.00 4.77 -1.26 -4.34 117.00 122.86 1ynn n LEU 668 Ca 0.08 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 1ynn n LEU 668 Cb 0.36 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ynn n LEU 668 CO 0.34 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1ynn n GLY 669 N 1.51 -0.70 3.39 -0.72 0.00 -1.26 -4.50 105.19 102.92 1ynn n GLY 669 Ca 0.21 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1ynn n GLY 669 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ynn s GLN 670 N -0.46 1.43 -0.07 1.61 -0.21 0.11 -3.20 119.66 118.86 1ynn s GLN 670 Ca 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 55.36 53.84 1ynn s GLN 670 Cb 0.00 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.37 1ynn s GLN 670 CO 0.00 0.33 0.11 0.54 -2.12 0.00 0.00 175.29 174.15 1ynn s ASN 671 N -2.77 6.03 0.02 5.90 2.20 -1.26 -0.91 114.94 124.15 1ynn s ASN 671 Ca 0.20 0.33 -0.22 0.00 -0.94 0.00 0.00 52.86 52.22 1ynn s ASN 671 Cb -0.07 -1.86 0.05 0.00 -2.00 0.00 0.00 41.25 37.37 1ynn s ASN 671 CO 0.09 0.35 0.51 0.54 -2.94 0.00 0.00 177.10 175.65 1ynn s VAL 672 N -1.08 0.03 -0.11 3.54 0.11 -0.88 -4.91 120.40 117.11 1ynn s VAL 672 Ca 0.18 -0.26 -0.27 0.00 -2.93 0.00 0.00 61.98 58.71 1ynn s VAL 672 Cb -0.12 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1ynn s VAL 672 CO 0.08 -0.14 0.87 -0.22 -3.33 0.00 0.00 175.10 172.36 1ynn s LEU 673 N -1.77 4.25 0.05 2.54 2.96 -1.26 -0.23 118.68 125.21 1ynn s LEU 673 Ca -0.07 1.33 0.08 0.00 -0.22 0.00 0.00 54.13 55.26 1ynn s LEU 673 Cb -0.01 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 1ynn s LEU 673 CO 0.01 -0.33 -0.24 0.54 -1.32 0.00 0.00 176.35 175.01 1ynn s VAL 674 N 1.68 1.92 -0.11 1.68 0.11 0.22 0.62 120.40 126.51 1ynn s VAL 674 Ca 0.43 -1.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.12 1ynn s VAL 674 Cb -0.18 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 1ynn s VAL 674 CO 0.17 0.28 0.07 0.00 -3.33 0.00 0.00 175.10 172.29 1ynn s ALA 675 N -0.81 3.54 -0.62 1.54 0.00 0.95 -2.26 121.76 124.10 1ynn s ALA 675 Ca 0.10 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1ynn s ALA 675 Cb -0.09 -1.73 0.16 0.00 0.00 0.00 0.00 23.12 21.45 1ynn s ALA 675 CO 0.02 0.55 0.48 0.42 0.00 0.00 0.00 175.76 177.23 1ynn s ILE 676 N -0.79 4.29 0.05 0.00 1.01 -1.01 -0.26 121.20 124.49 1ynn s ILE 676 Ca 0.13 -2.46 -0.27 0.00 0.00 0.00 0.00 60.65 58.05 1ynn s ILE 676 Cb -0.12 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1ynn s ILE 676 CO 0.03 -0.88 0.82 0.00 0.00 0.00 0.00 174.94 174.91 1ynn s MET 677 N 0.46 0.97 0.53 2.79 0.23 -1.02 -4.51 119.30 118.75 1ynn s MET 677 Ca 0.13 -0.38 -0.19 0.00 -1.03 0.00 0.00 55.69 54.23 1ynn s MET 677 Cb -0.20 0.43 -0.07 0.00 -1.53 0.00 0.00 34.83 33.47 1ynn s MET 677 CO -0.04 -0.43 1.05 -1.25 -2.03 0.00 0.00 175.02 172.32 1ynn s PRO 678 N -3.29 3.61 0.00 3.16 0.04 -1.26 -3.48 135.00 133.77 1ynn s PRO 678 Ca 0.05 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1ynn s PRO 678 Cb -0.01 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ynn s PRO 678 CO -0.09 -0.59 0.00 0.34 0.04 0.00 0.00 177.00 176.70 1ynn n PHE 679 N -1.36 0.00 -2.40 0.56 7.35 -1.26 -4.99 117.46 115.37 1ynn n PHE 679 Ca 0.09 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.54 1ynn n PHE 679 Cb 0.53 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.36 1ynn n PHE 679 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1ynn n ASP 680 N 0.00 4.46 0.00 -2.13 9.92 -1.26 -4.77 116.55 122.77 1ynn n ASP 680 Ca 0.00 -3.62 0.00 0.00 -0.53 0.00 0.00 54.79 50.64 1ynn n ASP 680 Cb 0.00 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 1ynn n ASP 680 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ynn n GLY 681 N -0.51 0.77 0.17 0.44 0.00 -1.26 -4.93 105.19 99.86 1ynn n GLY 681 Ca 0.37 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.45 1ynn n GLY 681 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ynn h TYR 682 N 0.00 0.00 -0.66 1.61 0.05 -1.96 -2.90 116.97 113.10 1ynn h TYR 682 Ca 0.00 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.39 1ynn h TYR 682 Cb 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 37.51 1ynn h TYR 682 CO 0.00 0.36 0.15 0.27 -1.05 0.00 0.00 178.16 177.89 1ynn n ASN 683 N -3.22 3.96 -4.76 3.88 0.23 -1.26 -4.15 115.26 109.94 1ynn n ASN 683 Ca 0.02 -3.75 -0.37 0.00 -0.53 0.00 0.00 54.58 49.95 1ynn n ASN 683 Cb 0.66 -0.70 0.01 0.00 -2.08 0.00 0.00 39.78 37.66 1ynn n ASN 683 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1ynn s PHE 684 N -3.41 2.63 0.00 -2.53 5.36 -1.10 -4.25 117.98 114.68 1ynn s PHE 684 Ca 0.52 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 1ynn s PHE 684 Cb 0.44 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 1ynn s PHE 684 CO 0.03 -1.95 0.00 0.39 -1.46 0.00 0.00 175.22 172.23 1ynn n GLU 685 N -0.91 0.00 0.00 10.12 -0.58 -1.26 -2.21 120.64 125.80 1ynn n GLU 685 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1ynn n GLU 685 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 1ynn n GLU 685 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ynn n ASP 686 N 4.09 0.88 -4.65 1.62 10.43 -1.26 -4.77 116.55 122.89 1ynn n ASP 686 Ca 0.00 -1.11 -0.33 0.00 2.57 0.00 0.00 54.79 55.92 1ynn n ASP 686 Cb 0.00 0.00 0.13 0.00 1.84 0.00 0.00 41.12 43.09 1ynn n ASP 686 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ynn n ALA 687 N -0.05 -0.45 -2.59 2.24 0.00 -0.94 -3.96 120.51 114.75 1ynn n ALA 687 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.83 1ynn n ALA 687 Cb 0.09 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.23 1ynn n ALA 687 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ynn s ILE 688 N -2.22 1.47 -0.13 0.00 -1.09 0.11 -4.27 121.20 115.06 1ynn s ILE 688 Ca 0.71 -1.39 -0.03 0.00 -2.23 0.00 0.00 60.65 57.71 1ynn s ILE 688 Cb -0.28 -1.35 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 1ynn s ILE 688 CO 0.54 -0.08 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.44 1ynn s VAL 689 N -1.14 3.95 -0.05 2.92 1.01 -1.23 -0.70 120.40 125.17 1ynn s VAL 689 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1ynn s VAL 689 Cb -0.10 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1ynn s VAL 689 CO 0.03 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 174.92 1ynn s ILE 690 N 0.00 3.39 -0.32 2.22 -1.09 0.17 -2.73 121.20 122.84 1ynn s ILE 690 Ca 0.01 -0.64 -0.24 0.00 -2.23 0.00 0.00 60.65 57.55 1ynn s ILE 690 Cb -0.13 -2.38 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1ynn s ILE 690 CO 0.03 0.56 0.80 -0.55 -1.23 0.00 0.00 174.94 174.55 1ynn s SER 691 N -0.87 6.64 0.62 3.58 0.15 -0.94 0.15 113.70 123.04 1ynn s SER 691 Ca 0.13 0.59 0.27 0.00 0.70 0.00 0.00 55.95 57.63 1ynn s SER 691 Cb -0.11 -2.41 1.36 0.00 -1.71 0.00 0.00 66.02 63.15 1ynn s SER 691 CO 0.02 -0.66 1.78 -0.08 1.20 0.00 0.00 173.24 175.49 1ynn h GLU 692 N 8.23 0.00 -0.31 5.44 4.81 -1.19 1.16 114.58 132.73 1ynn h GLU 692 Ca -0.24 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1ynn h GLU 692 Cb 1.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1ynn h GLU 692 CO 0.90 0.00 0.68 1.49 -0.73 0.00 0.00 179.01 181.35 1ynn h GLU 693 N 0.00 0.00 0.26 1.92 4.57 -1.91 0.58 114.58 120.00 1ynn h GLU 693 Ca 0.15 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1ynn h GLU 693 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1ynn h GLU 693 CO -0.00 0.00 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.63 1ynn h LEU 694 N 0.00 -0.30 -0.34 1.64 3.38 0.10 -2.84 115.31 116.95 1ynn h LEU 694 Ca 0.15 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1ynn h LEU 694 Cb 1.51 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.26 1ynn h LEU 694 CO -0.00 0.17 -0.17 -0.07 0.09 0.00 0.00 178.44 178.46 1ynn h LEU 695 N -0.89 -0.58 -0.96 1.67 3.38 -1.09 0.62 115.31 117.46 1ynn h LEU 695 Ca -0.04 0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.31 1ynn h LEU 695 Cb 0.51 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 1ynn h LEU 695 CO 0.06 -0.21 0.52 0.11 0.09 0.00 0.00 178.44 179.01 1ynn h LYS 696 N -0.12 0.47 -0.23 1.13 1.57 -1.37 0.43 116.57 118.45 1ynn h LYS 696 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ynn h LYS 696 Cb 0.38 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ynn h LYS 696 CO -0.41 0.31 0.00 0.54 -0.57 0.00 0.00 179.45 179.32 1ynn n ARG 697 N -4.96 1.19 -4.32 3.15 1.74 0.18 -4.84 116.66 108.79 1ynn n ARG 697 Ca 0.26 -0.24 -0.37 0.00 -0.77 0.00 0.00 57.85 56.72 1ynn n ARG 697 Cb 0.74 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.98 1ynn n ARG 697 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ynn n ASP 698 N -0.24 -2.35 0.00 0.55 10.43 0.15 -4.93 116.55 120.15 1ynn n ASP 698 Ca 0.02 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.28 1ynn n ASP 698 Cb 0.11 -2.33 0.00 0.00 1.84 0.00 0.00 41.12 40.74 1ynn n ASP 698 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ynn n PHE 699 N -4.30 0.00 0.26 1.24 3.01 -0.99 -4.14 117.46 112.54 1ynn n PHE 699 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1ynn n PHE 699 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1ynn n PHE 699 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ynn n TYR 700 N 0.00 0.00 -2.71 1.38 4.02 -1.26 -4.59 117.16 113.99 1ynn n TYR 700 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1ynn n TYR 700 Cb 0.00 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.27 1ynn n TYR 700 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1ynn s THR 701 N -1.32 4.82 0.16 -0.72 -4.23 -1.26 -4.36 115.64 108.73 1ynn s THR 701 Ca 0.00 2.06 0.09 0.00 -1.18 0.00 0.00 61.69 62.65 1ynn s THR 701 Cb 0.00 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 1ynn s THR 701 CO 0.00 0.18 -0.19 -0.94 -0.54 0.00 0.00 174.62 173.13 1ynn s SER 702 N 0.88 2.69 -0.16 3.99 1.04 -1.26 -2.35 113.70 118.52 1ynn s SER 702 Ca 0.51 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 1ynn s SER 702 Cb -0.21 -0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 1ynn s SER 702 CO 0.28 -0.01 0.14 -0.63 0.98 0.00 0.00 173.24 174.00 1ynn s ILE 703 N -1.89 5.45 -0.02 -1.02 1.01 -1.26 -0.04 121.20 123.43 1ynn s ILE 703 Ca 0.14 0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1ynn s ILE 703 Cb -0.06 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1ynn s ILE 703 CO 0.06 0.52 -0.14 -2.28 0.00 0.00 0.00 174.94 173.10 1ynn s HIS 704 N -0.23 1.25 -0.10 3.97 5.65 -0.65 -4.45 115.29 120.72 1ynn s HIS 704 Ca 0.11 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.19 1ynn s HIS 704 Cb -0.12 -0.82 -0.01 0.00 -1.18 0.00 0.00 32.58 30.46 1ynn s HIS 704 CO 0.01 -0.04 -0.19 0.42 -0.65 0.00 0.00 174.74 174.28 1ynn s ILE 705 N -0.23 2.49 0.29 0.89 1.01 -1.04 -0.55 121.20 124.06 1ynn s ILE 705 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 59.88 1ynn s ILE 705 Cb -0.06 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1ynn s ILE 705 CO -0.00 0.55 0.26 -0.70 0.00 0.00 0.00 174.94 175.05 1ynn s GLU 706 N 0.21 2.88 -0.02 2.79 2.56 0.54 -4.54 118.70 123.12 1ynn s GLU 706 Ca -0.12 -1.14 0.04 0.00 0.00 0.00 0.00 54.97 53.75 1ynn s GLU 706 Cb -0.16 -2.56 -0.01 0.00 2.00 0.00 0.00 34.13 33.40 1ynn s GLU 706 CO 0.07 0.25 -0.15 0.50 -0.56 0.00 0.00 175.26 175.37 1ynn s ARG 707 N -3.93 1.32 0.09 4.30 3.00 -1.26 -1.14 118.95 121.32 1ynn s ARG 707 Ca 0.37 -0.53 0.09 0.00 -1.00 0.00 0.00 55.73 54.66 1ynn s ARG 707 Cb -0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 34.95 33.61 1ynn s ARG 707 CO 0.26 0.28 -0.23 0.71 0.00 0.00 0.00 175.30 176.32 1ynn s TYR 708 N -0.19 1.95 0.07 5.12 1.51 0.18 -4.98 117.35 121.01 1ynn s TYR 708 Ca 0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1ynn s TYR 708 Cb -0.07 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1ynn s TYR 708 CO 0.00 0.20 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.55 1ynn s GLU 709 N -1.72 0.69 -0.22 -0.62 2.12 -1.26 0.50 118.70 118.19 1ynn s GLU 709 Ca 0.09 -0.96 -0.18 0.00 0.36 0.00 0.00 54.97 54.28 1ynn s GLU 709 Cb -0.10 -0.43 0.06 0.00 0.26 0.00 0.00 34.13 33.92 1ynn s GLU 709 CO 0.04 0.07 0.57 -1.50 -0.54 0.00 0.00 175.26 173.90 1ynn s ILE 710 N -1.91 -0.00 0.51 -3.70 2.07 -0.53 -5.01 121.20 112.63 1ynn s ILE 710 Ca -0.02 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1ynn s ILE 710 Cb -0.06 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.75 1ynn s ILE 710 CO -0.00 0.01 0.44 -1.61 -1.91 0.00 0.00 174.94 171.87 1ynn s GLU 711 N 0.70 2.33 -0.07 3.50 2.02 -1.26 -1.09 118.70 124.82 1ynn s GLU 711 Ca -0.03 -1.84 -0.03 0.00 0.02 0.00 0.00 54.97 53.09 1ynn s GLU 711 Cb -0.05 -2.24 0.04 0.00 0.10 0.00 0.00 34.13 31.98 1ynn s GLU 711 CO -0.05 -0.53 0.13 0.00 0.02 0.00 0.00 175.26 174.83 1ynn s ALA 712 N -2.68 -0.07 0.25 5.21 0.00 -0.87 -4.96 121.76 118.64 1ynn s ALA 712 Ca 0.42 0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.95 1ynn s ALA 712 Cb -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1ynn s ALA 712 CO 0.25 -0.47 -0.17 1.03 0.00 0.00 0.00 175.76 176.40 1ynn s ARG 713 N 2.07 1.53 0.02 0.00 0.52 -1.26 0.15 118.95 121.97 1ynn s ARG 713 Ca 0.01 -1.69 -0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1ynn s ARG 713 Cb -0.12 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 1ynn s ARG 713 CO -0.05 0.26 0.12 0.16 0.02 0.00 0.00 175.30 175.81 1ynn s ASP 714 N -3.43 5.88 0.20 0.23 -4.77 -1.19 0.92 116.67 114.52 1ynn s ASP 714 Ca 0.27 0.17 -0.13 0.00 -3.30 0.00 0.00 52.55 49.56 1ynn s ASP 714 Cb -0.03 -1.72 0.00 0.00 -1.09 0.00 0.00 42.92 40.09 1ynn s ASP 714 CO 0.11 0.23 0.41 -0.89 0.70 0.00 0.00 175.17 175.73 1ynn s THR 715 N -1.31 0.04 0.26 2.11 2.01 0.18 -4.93 115.64 114.00 1ynn s THR 715 Ca 0.27 -1.20 0.20 0.00 0.31 0.00 0.00 61.69 61.27 1ynn s THR 715 Cb -0.12 -1.85 0.31 0.00 0.01 0.00 0.00 72.50 70.84 1ynn s THR 715 CO 0.19 -0.16 0.91 2.29 -0.69 0.00 0.00 174.62 177.15 1ynn n LYS 716 N -0.30 -0.02 0.00 4.92 0.00 -1.26 0.27 118.16 121.77 1ynn n LYS 716 Ca -0.07 0.72 0.13 0.00 -0.00 0.00 0.00 58.31 59.10 1ynn n LYS 716 Cb 0.63 -1.45 0.36 0.00 -0.00 0.00 0.00 35.03 34.57 1ynn n LYS 716 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ynn n LEU 717 N -3.76 1.71 0.00 -5.58 4.77 -1.26 -5.05 117.00 107.83 1ynn n LEU 717 Ca 0.24 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1ynn n LEU 717 Cb 0.95 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1ynn n LEU 717 CO 0.12 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1ynn n GLY 718 N 1.27 0.78 3.80 -0.72 0.00 0.75 -4.69 105.19 106.38 1ynn n GLY 718 Ca 0.16 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 1ynn n GLY 718 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ynn s PRO 719 N -0.97 4.34 0.15 1.61 0.04 -1.26 0.49 135.00 139.39 1ynn s PRO 719 Ca 0.00 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1ynn s PRO 719 Cb 0.00 -3.23 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 1ynn s PRO 719 CO 0.00 0.60 1.31 -2.00 0.04 0.00 0.00 177.00 176.96 1ynn s GLU 720 N -1.17 4.38 -0.09 4.56 2.12 0.26 -4.58 118.70 124.19 1ynn s GLU 720 Ca 0.32 2.01 0.03 0.00 0.36 0.00 0.00 54.97 57.69 1ynn s GLU 720 Cb -0.21 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 30.96 1ynn s GLU 720 CO 0.22 -0.30 -0.17 1.03 -0.54 0.00 0.00 175.26 175.50 1ynn s ARG 721 N 0.42 2.32 -1.32 4.30 0.52 -0.87 -4.32 118.95 120.01 1ynn s ARG 721 Ca 0.59 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 55.05 1ynn s ARG 721 Cb -0.35 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 1ynn s ARG 721 CO 0.34 0.06 2.36 -0.89 0.02 0.00 0.00 175.30 177.19 1ynn n ILE 722 N 3.82 3.29 -2.11 1.52 -0.00 -1.26 0.19 119.36 124.80 1ynn n ILE 722 Ca -0.21 -2.46 -0.28 0.00 -0.00 0.00 0.00 62.75 59.80 1ynn n ILE 722 Cb 0.52 -2.51 0.16 0.00 -0.00 0.00 0.00 39.64 37.82 1ynn n ILE 722 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1ynn s THR 723 N 3.25 2.04 -0.08 1.39 -1.32 -1.15 -4.44 115.64 115.33 1ynn s THR 723 Ca 0.54 -0.16 0.01 0.00 -1.21 0.00 0.00 61.69 60.87 1ynn s THR 723 Cb 0.15 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 1ynn s THR 723 CO -0.04 0.00 0.31 -1.14 -2.21 0.00 0.00 174.62 171.54 1ynn n ARG 724 N -3.49 2.41 -2.62 7.08 0.63 -1.26 -3.94 116.66 115.46 1ynn n ARG 724 Ca 0.15 -0.31 -0.42 0.00 -0.92 0.00 0.00 57.85 56.35 1ynn n ARG 724 Cb 0.60 -0.81 0.01 0.00 0.45 0.00 0.00 32.46 32.71 1ynn n ARG 724 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ynn n ASP 725 N -0.41 6.67 -4.72 6.15 2.03 -1.26 -4.93 116.55 120.08 1ynn n ASP 725 Ca 0.00 -3.39 -0.42 0.00 0.52 0.00 0.00 54.79 51.50 1ynn n ASP 725 Cb 0.02 -1.30 -0.03 0.00 -0.72 0.00 0.00 41.12 39.09 1ynn n ASP 725 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ynn s ILE 726 N -2.37 4.03 0.67 5.18 -1.09 -1.26 -5.01 121.20 121.35 1ynn s ILE 726 Ca 0.38 1.48 -0.15 0.00 -2.23 0.00 0.00 60.65 60.13 1ynn s ILE 726 Cb 0.12 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1ynn s ILE 726 CO -0.00 0.13 1.13 -2.16 -1.23 0.00 0.00 174.94 172.80 1ynn s PRO 727 N 0.93 2.70 -1.27 2.79 0.04 -1.26 -4.00 135.00 134.94 1ynn s PRO 727 Ca 0.58 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1ynn s PRO 727 Cb -0.29 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ynn s PRO 727 CO 0.30 -1.34 0.00 0.72 0.04 0.00 0.00 177.00 176.72 1ynn n HIS 728 N -2.44 -0.13 -4.96 0.56 8.25 -1.26 -4.88 115.22 110.37 1ynn n HIS 728 Ca 0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.30 1ynn n HIS 728 Cb 0.52 -2.38 -0.16 0.00 1.12 0.00 0.00 29.99 29.08 1ynn n HIS 728 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ynn s LEU 729 N -2.99 2.00 1.23 2.41 1.02 -1.26 -5.14 118.68 115.96 1ynn s LEU 729 Ca 0.00 -0.37 -0.15 0.00 0.02 0.00 0.00 54.13 53.63 1ynn s LEU 729 Cb 0.00 -1.04 0.31 0.00 0.02 0.00 0.00 46.19 45.48 1ynn s LEU 729 CO 0.00 0.21 1.00 -0.94 0.02 0.00 0.00 176.35 176.65 1ynn s SER 730 N -0.27 0.42 0.28 2.29 1.04 -1.26 -4.92 113.70 111.27 1ynn s SER 730 Ca 0.03 1.37 0.18 0.00 0.48 0.00 0.00 55.95 58.01 1ynn s SER 730 Cb -0.10 -2.10 0.10 0.00 0.10 0.00 0.00 66.02 64.02 1ynn s SER 730 CO 0.01 -4.53 1.35 -0.08 0.98 0.00 0.00 173.24 170.96 1ynn h GLU 731 N -2.85 0.00 -1.00 4.02 4.22 -2.00 -3.18 114.58 113.80 1ynn h GLU 731 Ca -0.60 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.00 1ynn h GLU 731 Cb 1.34 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.49 1ynn h GLU 731 CO 0.47 0.27 0.61 0.00 -2.18 0.00 0.00 179.01 178.18 1ynn h ALA 732 N 1.69 1.57 -0.38 2.92 0.00 -1.99 0.23 119.26 123.29 1ynn h ALA 732 Ca -0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1ynn h ALA 732 Cb 1.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ynn h ALA 732 CO 0.04 0.09 -0.14 0.00 0.00 0.00 0.00 179.25 179.24 1ynn h ALA 733 N 1.59 0.53 0.00 0.00 0.00 -1.91 -3.24 119.26 116.24 1ynn h ALA 733 Ca 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ynn h ALA 733 Cb 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ynn h ALA 733 CO -0.32 0.44 -0.62 1.28 0.00 0.00 0.00 179.25 180.02 1ynn n LEU 734 N -4.31 0.61 -0.20 0.00 4.77 -0.97 -4.47 117.00 112.42 1ynn n LEU 734 Ca -0.02 -0.09 0.16 0.00 -0.03 0.00 0.00 56.01 56.03 1ynn n LEU 734 Cb 0.38 -0.19 0.26 0.00 -2.33 0.00 0.00 43.42 41.54 1ynn n LEU 734 CO 0.43 0.14 0.46 -1.14 -1.33 0.00 0.00 177.39 175.96 1ynn n ARG 735 N -1.53 -0.01 -0.05 3.23 0.63 0.77 -1.01 116.66 118.69 1ynn n ARG 735 Ca 0.05 0.40 0.04 0.00 -0.92 0.00 0.00 57.85 57.42 1ynn n ARG 735 Cb 0.34 -0.85 0.06 0.00 0.45 0.00 0.00 32.46 32.46 1ynn n ARG 735 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ynn n ASP 736 N -2.99 2.04 -4.63 6.15 10.43 -1.26 -4.99 116.55 121.30 1ynn n ASP 736 Ca 0.15 -1.59 -0.35 0.00 2.57 0.00 0.00 54.79 55.57 1ynn n ASP 736 Cb 0.61 -0.06 -0.10 0.00 1.84 0.00 0.00 41.12 43.41 1ynn n ASP 736 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ynn s LEU 737 N -0.79 3.80 1.01 0.64 1.43 -0.18 -1.26 118.68 123.33 1ynn s LEU 737 Ca 0.12 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1ynn s LEU 737 Cb 0.07 -1.97 0.20 0.00 0.03 0.00 0.00 46.19 44.53 1ynn s LEU 737 CO 0.10 0.16 1.10 1.51 0.23 0.00 0.00 176.35 179.46 1ynn s ASP 738 N 0.44 2.18 -1.09 2.29 -4.77 -0.51 -4.77 116.67 110.43 1ynn s ASP 738 Ca 0.03 1.94 -0.26 0.00 -3.30 0.00 0.00 52.55 50.97 1ynn s ASP 738 Cb -0.13 -2.48 -0.20 0.00 -1.09 0.00 0.00 42.92 39.03 1ynn s ASP 738 CO 0.00 -3.53 2.09 -0.70 0.70 0.00 0.00 175.17 173.74 1ynn s GLU 739 N -4.58 1.44 0.00 2.11 2.56 -1.26 -1.93 118.70 117.04 1ynn s GLU 739 Ca 0.67 -0.54 0.00 0.00 0.00 0.00 0.00 54.97 55.10 1ynn s GLU 739 Cb -0.24 -5.02 0.00 0.00 2.00 0.00 0.00 34.13 30.87 1ynn s GLU 739 CO 0.60 -5.19 0.00 -1.91 -0.56 0.00 0.00 175.26 168.20 1ynn n GLU 740 N 8.22 0.00 0.00 4.30 4.07 -1.26 -5.01 120.64 130.96 1ynn n GLU 740 Ca 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1ynn n GLU 740 Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 1ynn n GLU 740 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ynn n GLY 741 N -0.59 1.25 3.27 8.31 0.00 -0.81 -4.02 105.19 112.60 1ynn n GLY 741 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ynn n GLY 741 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ynn s ILE 742 N -2.00 1.99 0.67 -0.61 1.01 -1.26 -0.83 121.20 120.17 1ynn s ILE 742 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 1ynn s ILE 742 Cb 0.00 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1ynn s ILE 742 CO 0.00 0.56 0.80 0.52 0.00 0.00 0.00 174.94 176.82 1ynn n VAL 743 N 2.78 2.76 -1.66 2.92 0.31 -0.93 -1.43 118.33 123.07 1ynn n VAL 743 Ca -0.17 -0.43 -0.31 0.00 -0.01 0.00 0.00 64.34 63.42 1ynn n VAL 743 Cb 0.52 -0.97 0.04 0.00 -0.91 0.00 0.00 33.84 32.52 1ynn n VAL 743 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ynn s ARG 744 N -2.89 3.04 0.20 5.55 3.03 -0.39 -4.71 118.95 122.78 1ynn s ARG 744 Ca 0.72 0.86 -0.30 0.00 2.03 0.00 0.00 55.73 59.03 1ynn s ARG 744 Cb -0.38 -2.01 -0.09 0.00 -1.03 0.00 0.00 34.95 31.45 1ynn s ARG 744 CO 0.52 -1.00 1.30 0.42 -1.13 0.00 0.00 175.30 175.41 1ynn s ILE 745 N -3.10 3.23 -0.12 4.99 -1.09 -1.26 -3.64 121.20 120.20 1ynn s ILE 745 Ca 0.57 1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 60.00 1ynn s ILE 745 Cb -0.13 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1ynn s ILE 745 CO 0.55 0.15 0.07 0.61 -1.23 0.00 0.00 174.94 175.09 1ynn n GLY 746 N 2.33 0.69 3.77 6.18 0.00 0.26 -4.99 105.19 113.43 1ynn n GLY 746 Ca 0.06 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1ynn n GLY 746 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynn s ALA 747 N -2.78 3.60 -0.11 4.61 0.00 -1.24 -4.74 121.76 121.09 1ynn s ALA 747 Ca 0.04 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 1ynn s ALA 747 Cb -0.02 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1ynn s ALA 747 CO 0.05 0.21 1.54 -2.00 0.00 0.00 0.00 175.76 175.55 1ynn s GLU 748 N -0.04 4.13 -0.18 0.00 2.12 -1.26 -0.08 118.70 123.39 1ynn s GLU 748 Ca 0.22 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1ynn s GLU 748 Cb -0.15 -3.94 0.01 0.00 0.26 0.00 0.00 34.13 30.32 1ynn s GLU 748 CO 0.09 -0.89 -0.17 0.08 -0.54 0.00 0.00 175.26 173.84 1ynn s VAL 749 N 4.09 2.36 0.47 3.70 1.01 -0.41 -4.99 120.40 126.63 1ynn s VAL 749 Ca 0.68 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1ynn s VAL 749 Cb -0.29 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1ynn s VAL 749 CO 0.25 0.52 0.64 -1.59 0.00 0.00 0.00 175.10 174.92 1ynn s LYS 750 N 1.17 2.69 -0.00 2.72 0.00 -1.26 -1.78 119.74 123.27 1ynn s LYS 750 Ca 0.02 -1.26 -0.30 0.00 0.00 0.00 0.00 55.97 54.42 1ynn s LYS 750 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 37.83 34.94 1ynn s LYS 750 CO -0.08 -0.44 1.23 -2.14 0.00 0.00 0.00 175.35 173.92 1ynn s PRO 751 N -4.46 4.37 0.00 1.78 0.02 -1.26 -2.18 135.00 133.27 1ynn s PRO 751 Ca 0.57 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1ynn s PRO 751 Cb -0.09 -3.48 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1ynn s PRO 751 CO 0.35 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 1ynn n GLY 752 N 3.35 2.64 3.72 0.52 0.00 0.45 -4.91 105.19 110.95 1ynn n GLY 752 Ca 0.10 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1ynn n GLY 752 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ynn n ASP 753 N 0.19 2.81 -4.67 1.61 10.43 -0.93 -4.18 116.55 121.81 1ynn n ASP 753 Ca 0.00 1.13 -0.42 0.00 2.57 0.00 0.00 54.79 58.06 1ynn n ASP 753 Cb 0.00 -1.53 -0.03 0.00 1.84 0.00 0.00 41.12 41.40 1ynn n ASP 753 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ynn s ILE 754 N -1.18 3.73 -0.22 0.53 -1.09 -1.26 -2.06 121.20 119.64 1ynn s ILE 754 Ca 0.60 1.01 -0.10 0.00 -2.23 0.00 0.00 60.65 59.93 1ynn s ILE 754 Cb -0.50 -3.65 -0.18 0.00 -1.58 0.00 0.00 42.46 36.55 1ynn s ILE 754 CO 0.59 -0.05 -0.03 0.18 -1.23 0.00 0.00 174.94 174.39 1ynn n LEU 755 N 6.22 2.33 -3.67 2.97 4.77 -1.26 -4.78 117.00 123.58 1ynn n LEU 755 Ca 0.15 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1ynn n LEU 755 Cb 0.43 -0.94 -0.14 0.00 -2.33 0.00 0.00 43.42 40.44 1ynn n LEU 755 CO 0.60 0.65 -0.18 -0.69 -1.33 0.00 0.00 177.39 176.44 1ynn s VAL 756 N -2.49 -0.35 0.12 4.08 1.01 -1.26 -2.20 120.40 119.31 1ynn s VAL 756 Ca -0.32 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1ynn s VAL 756 Cb 0.10 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 36.02 1ynn s VAL 756 CO 0.60 0.13 0.75 -0.83 0.00 0.00 0.00 175.10 175.75 1ynn s GLY 757 N 2.34 2.85 -0.18 4.51 0.00 -0.01 -0.31 107.32 116.52 1ynn s GLY 757 Ca 0.02 0.30 -0.28 0.00 0.00 0.00 0.00 44.72 44.76 1ynn s GLY 757 CO -0.07 0.90 0.79 -1.60 0.00 0.00 0.00 173.10 173.12 1ynn s ARG 758 N -0.78 0.83 -0.25 2.90 3.52 -1.26 -2.93 118.95 120.98 1ynn s ARG 758 Ca 0.36 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 1ynn s ARG 758 Cb -0.22 0.40 0.07 0.00 -1.56 0.00 0.00 34.95 33.64 1ynn s ARG 758 CO 0.24 -0.18 -0.00 0.95 -0.81 0.00 0.00 175.30 175.50 1ynn s THR 759 N -0.39 1.33 0.72 4.11 -4.23 0.13 -3.35 115.64 113.95 1ynn s THR 759 Ca -0.04 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 1ynn s THR 759 Cb -0.03 -1.74 0.02 0.00 1.34 0.00 0.00 72.50 72.10 1ynn s THR 759 CO 0.03 -0.27 1.08 -0.44 -0.54 0.00 0.00 174.62 174.48 1ynn s SER 760 N 1.46 5.22 -0.14 3.99 0.01 -1.25 -2.04 113.70 120.94 1ynn s SER 760 Ca -0.01 1.33 -0.10 0.00 1.31 0.00 0.00 55.95 58.49 1ynn s SER 760 Cb -0.18 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1ynn s SER 760 CO -0.10 -1.51 -0.06 -0.26 0.41 0.00 0.00 173.24 171.72 1ynn h PHE 761 N -0.77 0.00 -3.57 2.43 -1.00 -1.81 0.15 116.94 112.37 1ynn h PHE 761 Ca -0.45 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.33 1ynn h PHE 761 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1ynn h PHE 761 CO 0.54 0.23 -0.40 1.63 -1.61 0.00 0.00 178.31 178.70 1ynn n LYS 762 N -4.62 -2.30 -2.08 1.51 5.02 -1.26 -4.11 118.16 110.31 1ynn n LYS 762 Ca -0.09 1.63 -0.29 0.00 -2.02 0.00 0.00 58.31 57.55 1ynn n LYS 762 Cb 0.28 -2.08 0.02 0.00 -0.02 0.00 0.00 35.03 33.23 1ynn n LYS 762 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ynn n GLY 763 N 1.31 6.08 3.37 0.72 0.00 -1.26 -4.84 105.19 110.57 1ynn n GLY 763 Ca 0.00 -2.64 -0.10 0.00 0.00 0.00 0.00 46.02 43.29 1ynn n GLY 763 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ynn n GLU 764 N -0.63 0.10 -0.93 1.61 4.71 -1.26 -4.57 120.64 119.66 1ynn n GLU 764 Ca 0.46 -0.89 0.13 0.00 -0.01 0.00 0.00 57.16 56.85 1ynn n GLU 764 Cb 0.72 -2.66 -0.03 0.00 -1.01 0.00 0.00 31.44 28.46 1ynn n GLU 764 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1ynn n GLN 765 N 6.71 -1.87 -4.38 3.49 7.27 -1.26 -4.83 117.38 122.51 1ynn n GLN 765 Ca 0.29 1.24 -0.33 0.00 0.07 0.00 0.00 57.00 58.26 1ynn n GLN 765 Cb 0.45 -2.29 -0.15 0.00 2.41 0.00 0.00 30.24 30.66 1ynn n GLN 765 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1ynn s GLU 766 N -1.62 3.23 -0.47 3.69 0.41 -1.26 -5.06 118.70 117.62 1ynn s GLU 766 Ca 0.00 -0.73 -0.45 0.00 -0.41 0.00 0.00 54.97 53.38 1ynn s GLU 766 Cb 0.00 -2.69 -0.19 0.00 -1.78 0.00 0.00 34.13 29.47 1ynn s GLU 766 CO 0.00 -0.03 1.83 -0.35 -0.49 0.00 0.00 175.26 176.21 1ynn n PRO 767 N 4.22 0.18 -1.44 0.39 -0.04 -1.26 -4.86 135.00 132.18 1ynn n PRO 767 Ca -0.19 0.06 -0.36 0.00 -0.04 0.00 0.00 63.50 62.97 1ynn n PRO 767 Cb 0.51 -1.61 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1ynn n PRO 767 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ynn n SER 768 N 5.61 0.69 -3.45 3.54 3.41 -1.26 -4.87 113.62 117.29 1ynn n SER 768 Ca 0.39 0.71 -0.31 0.00 -0.26 0.00 0.00 58.87 59.40 1ynn n SER 768 Cb -0.02 -1.42 0.28 0.00 -0.26 0.00 0.00 64.21 62.80 1ynn n SER 768 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ynn s PRO 769 N -3.24 -2.82 0.00 4.33 0.04 -1.26 -3.32 135.00 128.73 1ynn s PRO 769 Ca 0.75 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1ynn s PRO 769 Cb -0.36 -1.39 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1ynn s PRO 769 CO 0.48 -4.80 0.00 0.39 0.04 0.00 0.00 177.00 173.12 1ynn n GLU 770 N -5.57 0.00 0.00 4.56 4.71 -1.26 -4.39 120.64 118.69 1ynn n GLU 770 Ca 0.13 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.32 1ynn n GLU 770 Cb 0.60 0.00 0.24 0.00 -1.01 0.00 0.00 31.44 31.27 1ynn n GLU 770 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1ynn n GLU 771 N 0.00 0.90 -0.09 3.49 0.28 -1.21 -1.63 120.64 122.38 1ynn n GLU 771 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1ynn n GLU 771 Cb 0.00 -1.14 -0.13 0.00 1.43 0.00 0.00 31.44 31.60 1ynn n GLU 771 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ynn n ARG 772 N -0.64 0.97 -0.07 3.44 0.00 -1.22 -3.67 116.66 115.47 1ynn n ARG 772 Ca 0.06 0.03 -0.07 0.00 -0.00 0.00 0.00 57.85 57.87 1ynn n ARG 772 Cb 0.03 -1.46 -0.01 0.00 0.00 0.00 0.00 32.46 31.02 1ynn n ARG 772 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1ynn h LEU 773 N 0.00 -0.28 -0.48 6.15 -0.00 -1.65 0.31 115.31 119.37 1ynn h LEU 773 Ca -0.49 0.08 -0.11 0.00 -0.00 0.00 0.00 57.88 57.37 1ynn h LEU 773 Cb 2.02 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 42.84 1ynn h LEU 773 CO -0.00 -0.10 -0.12 0.17 -0.00 0.00 0.00 178.44 178.39 1ynn h LEU 774 N -0.01 0.94 -1.68 1.67 -0.00 -1.66 -0.19 115.31 114.37 1ynn h LEU 774 Ca 0.13 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1ynn h LEU 774 Cb 0.21 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 1ynn h LEU 774 CO -0.29 1.09 0.20 0.03 -0.00 0.00 0.00 178.44 179.47 1ynn h ARG 775 N 0.78 0.42 0.01 0.17 3.08 -1.43 -0.71 114.38 116.69 1ynn h ARG 775 Ca 0.12 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ynn h ARG 775 Cb 0.68 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1ynn h ARG 775 CO 0.05 0.28 -0.00 0.66 -1.07 0.00 0.00 179.97 179.88 1ynn h SER 776 N 0.43 -0.01 -0.71 7.04 4.64 -0.33 -3.06 113.55 121.55 1ynn h SER 776 Ca 0.12 -0.37 0.13 0.00 -0.47 0.00 0.00 61.79 61.20 1ynn h SER 776 Cb -0.04 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 61.96 1ynn h SER 776 CO -0.02 0.67 0.25 0.40 -0.87 0.00 0.00 176.83 177.26 1ynn h ILE 777 N -1.00 0.67 -0.00 0.95 2.04 -0.80 -0.92 117.51 118.45 1ynn h ILE 777 Ca -0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ynn h ILE 777 Cb 0.38 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1ynn h ILE 777 CO 0.00 0.07 -0.43 0.49 0.00 0.00 0.00 178.15 178.28 1ynn n PHE 778 N -5.03 0.00 0.00 1.37 3.01 -0.29 -4.99 117.46 111.53 1ynn n PHE 778 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1ynn n PHE 778 Cb 0.38 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1ynn n PHE 778 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ynn n GLY 779 N 1.46 2.86 3.51 1.37 0.00 -0.35 -5.01 105.19 109.02 1ynn n GLY 779 Ca 0.07 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 1ynn n GLY 779 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ynn n GLU 780 N 0.00 0.31 -2.22 1.61 -0.00 -1.18 -4.67 120.64 114.48 1ynn n GLU 780 Ca 0.00 -0.69 -0.37 0.00 -0.00 0.00 0.00 57.16 56.10 1ynn n GLU 780 Cb 0.00 -2.84 -0.01 0.00 -0.00 0.00 0.00 31.44 28.60 1ynn n GLU 780 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ynn s LYS 781 N 8.10 3.72 0.79 3.44 -0.14 -1.25 -4.73 119.74 129.67 1ynn s LYS 781 Ca 0.95 1.82 -0.15 0.00 -1.36 0.00 0.00 55.97 57.23 1ynn s LYS 781 Cb -0.30 -2.41 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 1ynn s LYS 781 CO 0.22 -0.59 0.66 0.00 -0.76 0.00 0.00 175.35 174.88 1ynn n ALA 782 N -0.50 -1.36 -2.37 5.17 0.00 -1.26 -5.04 120.51 115.16 1ynn n ALA 782 Ca 0.07 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 1ynn n ALA 782 Cb 0.48 -1.94 -0.10 0.00 0.00 0.00 0.00 19.45 17.89 1ynn n ALA 782 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ynn s ARG 783 N -3.24 1.23 -0.17 0.00 1.81 -1.26 -5.05 118.95 112.27 1ynn s ARG 783 Ca 0.66 -1.49 0.16 0.00 -1.72 0.00 0.00 55.73 53.34 1ynn s ARG 783 Cb -0.31 -1.04 0.58 0.00 -0.45 0.00 0.00 34.95 33.73 1ynn s ARG 783 CO 0.58 0.18 1.49 -0.25 -0.68 0.00 0.00 175.30 176.62 1ynn n ASP 784 N -0.11 4.23 -3.81 0.23 8.00 -1.26 -5.02 116.55 118.81 1ynn n ASP 784 Ca -0.10 -2.86 -0.13 0.00 0.71 0.00 0.00 54.79 52.41 1ynn n ASP 784 Cb 0.59 -0.55 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 1ynn n ASP 784 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ynn s VAL 785 N -2.57 -0.01 0.36 2.53 0.11 -1.26 -4.53 120.40 115.03 1ynn s VAL 785 Ca 0.43 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 1ynn s VAL 785 Cb 0.33 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.98 1ynn s VAL 785 CO 0.12 0.02 0.53 -0.75 -3.33 0.00 0.00 175.10 171.69 1ynn s LYS 786 N 0.34 3.16 -0.05 1.54 2.20 0.53 -4.88 119.74 122.57 1ynn s LYS 786 Ca -0.02 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.61 1ynn s LYS 786 Cb -0.03 -2.74 -0.15 0.00 -1.51 0.00 0.00 37.83 33.40 1ynn s LYS 786 CO -0.01 0.00 0.84 0.22 -0.36 0.00 0.00 175.35 176.04 1ynn h ASP 787 N 0.76 -0.19 -6.63 1.43 1.82 -1.86 -3.32 116.42 108.43 1ynn h ASP 787 Ca -0.47 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 55.78 1ynn h ASP 787 Cb 1.25 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.30 1ynn h ASP 787 CO 0.56 0.36 -0.10 1.07 -1.61 0.00 0.00 179.24 179.52 1ynn n THR 788 N -4.93 -0.20 -0.66 2.25 5.66 -1.25 -4.27 114.28 110.87 1ynn n THR 788 Ca -0.07 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1ynn n THR 788 Cb 0.26 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 1ynn n THR 788 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ynn n SER 789 N 0.40 0.00 0.00 1.09 7.64 -1.21 -4.18 113.62 117.36 1ynn n SER 789 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ynn n SER 789 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1ynn n SER 789 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ynn n LEU 790 N 0.00 0.16 -0.68 -3.43 7.94 0.58 -4.85 117.00 116.72 1ynn n LEU 790 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ynn n LEU 790 Cb 0.00 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1ynn n LEU 790 CO 0.00 -0.07 -0.20 0.54 -1.11 0.00 0.00 177.39 176.55 1ynn n ARG 791 N -1.59 -1.84 -2.83 1.96 1.74 -1.26 -4.88 116.66 107.97 1ynn n ARG 791 Ca 0.00 1.41 -0.42 0.00 -0.77 0.00 0.00 57.85 58.07 1ynn n ARG 791 Cb 0.00 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.72 1ynn n ARG 791 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ynn s VAL 792 N -3.85 4.86 0.50 1.55 1.01 -0.88 -4.82 120.40 118.77 1ynn s VAL 792 Ca 0.00 1.77 -0.23 0.00 0.00 0.00 0.00 61.98 63.52 1ynn s VAL 792 Cb 0.00 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1ynn s VAL 792 CO 0.00 0.03 1.38 -2.16 0.00 0.00 0.00 175.10 174.36 1ynn s PRO 793 N 2.00 3.42 -0.00 2.72 0.04 -1.26 -0.41 135.00 141.50 1ynn s PRO 793 Ca 0.42 2.31 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 1ynn s PRO 793 Cb -0.17 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 1ynn s PRO 793 CO 0.15 -0.99 2.00 -2.30 0.04 0.00 0.00 177.00 175.90 1ynn n PRO 794 N -0.62 2.72 0.00 0.56 -0.02 -1.26 -0.96 135.00 135.42 1ynn n PRO 794 Ca 0.08 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1ynn n PRO 794 Cb 0.44 -3.02 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 1ynn n PRO 794 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ynn n GLY 795 N 4.70 2.58 0.00 -1.23 0.00 -1.26 -4.90 105.19 105.08 1ynn n GLY 795 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ynn n GLY 795 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ynn n GLU 796 N -0.15 1.03 0.00 1.61 4.71 -0.14 -5.00 120.64 122.70 1ynn n GLU 796 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ynn n GLU 796 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1ynn n GLU 796 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ynn n GLY 797 N 3.33 -2.47 0.00 0.62 0.00 -1.26 -4.47 105.19 100.93 1ynn n GLY 797 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1ynn n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynn n GLY 798 N -0.03 0.78 3.77 -0.02 0.00 -0.74 -4.75 105.19 104.21 1ynn n GLY 798 Ca 0.00 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1ynn n GLY 798 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ynn s ILE 799 N -1.65 5.35 -0.55 -0.61 1.09 0.92 -1.29 121.20 124.46 1ynn s ILE 799 Ca 0.00 0.41 -0.28 0.00 -1.10 0.00 0.00 60.65 59.68 1ynn s ILE 799 Cb 0.00 -3.55 0.01 0.00 -1.06 0.00 0.00 42.46 37.86 1ynn s ILE 799 CO 0.00 0.47 1.50 -0.69 -0.10 0.00 0.00 174.94 176.12 1ynn s VAL 800 N -0.03 3.71 -0.12 2.92 1.01 0.89 -0.05 120.40 128.73 1ynn s VAL 800 Ca 0.15 0.60 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 1ynn s VAL 800 Cb -0.13 -4.31 -0.26 0.00 0.00 0.00 0.00 36.38 31.68 1ynn s VAL 800 CO 0.03 -1.07 0.55 0.58 0.00 0.00 0.00 175.10 175.19 1ynn h VAL 801 N 6.47 1.14 -2.90 2.92 2.07 -1.30 0.75 116.25 125.40 1ynn h VAL 801 Ca -0.27 -2.36 -0.12 0.00 0.82 0.00 0.00 66.70 64.76 1ynn h VAL 801 Cb 1.11 2.75 -0.22 0.00 -1.52 0.00 0.00 31.29 33.41 1ynn h VAL 801 CO 1.17 0.62 -0.25 -0.83 0.02 0.00 0.00 177.57 178.30 1ynn s GLY 802 N -4.81 -0.23 0.29 2.17 0.00 -1.12 -4.74 107.32 98.89 1ynn s GLY 802 Ca -0.21 0.68 0.09 0.00 0.00 0.00 0.00 44.72 45.28 1ynn s GLY 802 CO 0.73 0.49 0.04 1.09 0.00 0.00 0.00 173.10 175.45 1ynn s ARG 803 N -0.68 2.32 -0.28 2.90 1.04 -1.26 0.39 118.95 123.37 1ynn s ARG 803 Ca -0.08 -1.46 -0.23 0.00 -1.04 0.00 0.00 55.73 52.92 1ynn s ARG 803 Cb -0.04 -2.16 0.10 0.00 -2.04 0.00 0.00 34.95 30.81 1ynn s ARG 803 CO 0.03 0.28 0.88 -1.17 -0.04 0.00 0.00 175.30 175.28 1ynn s LEU 804 N -3.73 -0.62 -0.04 -1.89 2.96 -0.18 -4.98 118.68 110.20 1ynn s LEU 804 Ca 0.33 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.37 1ynn s LEU 804 Cb -0.05 2.13 0.03 0.00 0.50 0.00 0.00 46.19 48.80 1ynn s LEU 804 CO 0.21 -0.19 0.03 -0.60 -1.32 0.00 0.00 176.35 174.48 1ynn s ARG 805 N 0.57 0.13 -0.26 1.98 3.52 -1.26 -0.28 118.95 123.36 1ynn s ARG 805 Ca -0.01 0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.85 1ynn s ARG 805 Cb -0.05 -0.55 0.06 0.00 -1.56 0.00 0.00 34.95 32.85 1ynn s ARG 805 CO -0.06 -0.26 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.56 1ynn s LEU 806 N 1.74 3.25 0.27 -0.88 1.43 -0.59 -4.98 118.68 118.93 1ynn s LEU 806 Ca -0.00 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 51.77 1ynn s LEU 806 Cb -0.13 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1ynn s LEU 806 CO -0.03 -0.21 0.43 0.00 0.23 0.00 0.00 176.35 176.78 1ynn s ARG 807 N 1.17 3.46 0.20 1.70 1.70 -1.26 -0.19 118.95 125.73 1ynn s ARG 807 Ca -0.08 -0.56 -0.32 0.00 -0.47 0.00 0.00 55.73 54.30 1ynn s ARG 807 Cb -0.20 -2.80 -0.14 0.00 -0.57 0.00 0.00 34.95 31.24 1ynn s ARG 807 CO -0.05 0.32 1.42 -2.13 -1.08 0.00 0.00 175.30 173.78 1ynn n ARG 808 N -1.46 1.92 0.00 3.89 0.63 -1.26 -2.36 116.66 118.01 1ynn n ARG 808 Ca -0.07 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1ynn n ARG 808 Cb 0.56 -2.36 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1ynn n ARG 808 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ynn n GLY 809 N 2.50 3.06 1.95 5.14 0.00 -1.26 -4.97 105.19 111.60 1ynn n GLY 809 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1ynn n GLY 809 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ynn n ASP 810 N 0.20 -3.31 0.00 1.61 8.00 -1.00 -4.75 116.55 117.30 1ynn n ASP 810 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1ynn n ASP 810 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1ynn n ASP 810 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1ynn n PRO 811 N 1.37 0.00 -0.68 -0.24 -0.01 -1.26 -2.35 135.00 131.83 1ynn n PRO 811 Ca 0.01 0.18 0.05 0.00 -0.01 0.00 0.00 63.50 63.73 1ynn n PRO 811 Cb 0.33 -0.43 0.30 0.00 -0.01 0.00 0.00 33.50 33.69 1ynn n PRO 811 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ynn n GLY 812 N -0.55 3.79 3.63 -1.23 0.00 -1.26 -4.99 105.19 104.57 1ynn n GLY 812 Ca 0.00 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 1ynn n GLY 812 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ynn s VAL 813 N -2.88 5.17 -0.16 1.61 1.01 -0.99 -5.03 120.40 119.14 1ynn s VAL 813 Ca 0.48 0.63 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1ynn s VAL 813 Cb 0.38 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1ynn s VAL 813 CO 0.11 0.18 -0.14 -1.61 0.00 0.00 0.00 175.10 173.64 1ynn s GLU 814 N 1.86 2.32 0.15 2.72 2.02 -1.26 -4.22 118.70 122.29 1ynn s GLU 814 Ca 0.17 -0.63 0.10 0.00 0.02 0.00 0.00 54.97 54.63 1ynn s GLU 814 Cb -0.15 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 1ynn s GLU 814 CO 0.09 -0.26 -0.23 -0.48 0.02 0.00 0.00 175.26 174.40 1ynn s LEU 815 N 1.46 2.38 0.40 1.80 2.34 -1.26 -5.06 118.68 120.73 1ynn s LEU 815 Ca 0.04 -0.80 -0.22 0.00 0.06 0.00 0.00 54.13 53.21 1ynn s LEU 815 Cb -0.13 -1.03 -0.14 0.00 -0.56 0.00 0.00 46.19 44.32 1ynn s LEU 815 CO -0.11 0.08 0.36 0.29 -1.06 0.00 0.00 176.35 175.92 1ynn n LYS 816 N 0.61 0.30 -1.72 1.48 4.76 -1.26 -4.78 118.16 117.55 1ynn n LYS 816 Ca -0.16 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 1ynn n LYS 816 Cb 0.55 -1.27 -0.01 0.00 -1.84 0.00 0.00 35.03 32.47 1ynn n LYS 816 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1ynn n PRO 817 N 0.92 2.31 -1.05 1.97 -0.02 -1.26 -2.69 135.00 135.19 1ynn n PRO 817 Ca 0.12 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 1ynn n PRO 817 Cb 0.39 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 1ynn n PRO 817 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ynn n GLY 818 N 1.06 0.53 3.04 -1.23 0.00 -1.26 -5.02 105.19 102.31 1ynn n GLY 818 Ca 0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1ynn n GLY 818 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ynn s VAL 819 N -2.02 1.17 -0.04 1.61 1.01 -1.09 -3.14 120.40 117.90 1ynn s VAL 819 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1ynn s VAL 819 Cb 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1ynn s VAL 819 CO 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 175.10 175.41 1ynn s ARG 820 N 0.51 0.81 0.06 2.72 3.03 0.39 -4.77 118.95 121.69 1ynn s ARG 820 Ca -0.12 -0.15 0.00 0.00 2.03 0.00 0.00 55.73 57.50 1ynn s ARG 820 Cb -0.14 -0.80 0.00 0.00 -1.03 0.00 0.00 34.95 32.98 1ynn s ARG 820 CO 0.03 -0.03 0.00 -1.91 -1.13 0.00 0.00 175.30 172.27 1ynn n GLU 821 N 3.80 -0.98 -4.52 3.89 2.13 -1.24 -3.88 120.64 119.85 1ynn n GLU 821 Ca -0.23 0.86 -0.26 0.00 0.66 0.00 0.00 57.16 58.19 1ynn n GLU 821 Cb 0.52 -0.76 -0.17 0.00 0.27 0.00 0.00 31.44 31.30 1ynn n GLU 821 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ynn s VAL 822 N -0.77 1.20 -0.11 6.31 1.01 0.73 -2.04 120.40 126.73 1ynn s VAL 822 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1ynn s VAL 822 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1ynn s VAL 822 CO 0.00 0.37 -0.08 -0.69 0.00 0.00 0.00 175.10 174.71 1ynn s VAL 823 N 0.81 3.59 -0.10 2.92 1.01 -0.25 -1.54 120.40 126.84 1ynn s VAL 823 Ca -0.12 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1ynn s VAL 823 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1ynn s VAL 823 CO 0.02 0.54 -0.21 -0.13 0.00 0.00 0.00 175.10 175.32 1ynn s ARG 824 N -0.09 2.75 -0.12 2.72 1.81 0.61 -1.45 118.95 125.19 1ynn s ARG 824 Ca 0.00 -0.77 0.03 0.00 -1.72 0.00 0.00 55.73 53.27 1ynn s ARG 824 Cb -0.13 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 1ynn s ARG 824 CO 0.03 0.12 -0.22 0.08 -0.68 0.00 0.00 175.30 174.63 1ynn s VAL 825 N 0.48 2.23 -0.23 3.52 1.01 0.18 -1.01 120.40 126.58 1ynn s VAL 825 Ca -0.16 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1ynn s VAL 825 Cb -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1ynn s VAL 825 CO 0.06 0.55 0.12 -0.36 0.00 0.00 0.00 175.10 175.48 1ynn s PHE 826 N 0.48 3.26 -0.06 5.22 0.40 0.16 0.52 117.98 127.95 1ynn s PHE 826 Ca -0.14 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1ynn s PHE 826 Cb -0.17 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.11 1ynn s PHE 826 CO 0.06 0.01 -0.12 0.08 0.70 0.00 0.00 175.22 175.95 1ynn s VAL 827 N 1.02 3.29 0.12 -0.44 1.01 -0.29 -0.78 120.40 124.32 1ynn s VAL 827 Ca 0.06 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1ynn s VAL 827 Cb -0.14 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1ynn s VAL 827 CO 0.04 0.59 -0.10 0.00 0.00 0.00 0.00 175.10 175.62 1ynn s ALA 828 N -0.67 2.94 0.03 5.51 0.00 0.93 -0.34 121.76 130.16 1ynn s ALA 828 Ca 0.10 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1ynn s ALA 828 Cb -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1ynn s ALA 828 CO 0.01 0.61 -0.10 -0.65 0.00 0.00 0.00 175.76 175.64 1ynn s GLN 829 N -2.30 0.67 -0.18 0.00 -0.21 0.29 -0.06 119.66 117.87 1ynn s GLN 829 Ca 0.22 -0.63 -0.04 0.00 0.02 0.00 0.00 55.36 54.93 1ynn s GLN 829 Cb -0.11 -0.58 -0.02 0.00 1.00 0.00 0.00 33.01 33.30 1ynn s GLN 829 CO 0.14 0.14 -0.03 0.21 -2.12 0.00 0.00 175.29 173.62 1ynn s LYS 830 N -1.07 3.56 -0.26 2.91 2.20 -1.26 -1.64 119.74 124.18 1ynn s LYS 830 Ca -0.03 -0.56 -0.15 0.00 -0.36 0.00 0.00 55.97 54.88 1ynn s LYS 830 Cb -0.07 -2.97 -0.11 0.00 -1.51 0.00 0.00 37.83 33.17 1ynn s LYS 830 CO 0.01 0.07 -0.33 0.54 -0.36 0.00 0.00 175.35 175.27 1ynn n ARG 831 N 4.05 0.58 -0.69 4.03 1.74 0.94 -4.97 116.66 122.34 1ynn n ARG 831 Ca -0.17 0.27 0.09 0.00 -0.77 0.00 0.00 57.85 57.26 1ynn n ARG 831 Cb 0.52 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 1ynn n ARG 831 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ynn n LYS 832 N -4.29 -1.57 -1.42 5.56 5.02 -1.26 -4.88 118.16 115.31 1ynn n LYS 832 Ca -0.47 1.26 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 1ynn n LYS 832 Cb 0.82 -1.85 0.12 0.00 -0.02 0.00 0.00 35.03 34.10 1ynn n LYS 832 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ynn s LEU 833 N -5.72 2.25 0.16 -0.35 2.96 -1.26 -4.78 118.68 111.94 1ynn s LEU 833 Ca 0.00 1.25 -0.23 0.00 -0.22 0.00 0.00 54.13 54.94 1ynn s LEU 833 Cb 0.00 -3.70 0.07 0.00 0.50 0.00 0.00 46.19 43.06 1ynn s LEU 833 CO 0.00 -2.42 0.60 -1.10 -1.32 0.00 0.00 176.35 172.12 1ynn s GLN 834 N -5.11 1.30 -0.86 1.98 -0.21 -1.26 -5.07 119.66 110.43 1ynn s GLN 834 Ca 0.63 -0.49 -0.25 0.00 0.02 0.00 0.00 55.36 55.27 1ynn s GLN 834 Cb -0.16 0.59 -0.00 0.00 1.00 0.00 0.00 33.01 34.44 1ynn s GLN 834 CO 0.55 -0.57 1.68 0.08 -2.12 0.00 0.00 175.29 174.91 1ynn s VAL 835 N -3.76 3.61 0.00 1.09 1.01 -1.26 -1.84 120.40 119.26 1ynn s VAL 835 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1ynn s VAL 835 Cb -0.01 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1ynn s VAL 835 CO -0.12 -1.38 0.00 0.61 0.00 0.00 0.00 175.10 174.21 1ynn n GLY 836 N 6.41 -0.54 3.81 4.51 0.00 -0.18 -4.95 105.19 114.26 1ynn n GLY 836 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1ynn n GLY 836 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ynn s ASP 837 N -0.16 5.96 -0.23 1.61 1.01 -0.77 -4.07 116.67 120.02 1ynn s ASP 837 Ca 0.00 1.75 -0.09 0.00 0.71 0.00 0.00 52.55 54.92 1ynn s ASP 837 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1ynn s ASP 837 CO 0.00 -1.04 0.10 -0.75 0.21 0.00 0.00 175.17 173.69 1ynn s LYS 838 N -4.14 3.87 -0.04 8.23 2.20 -1.26 -0.58 119.74 128.03 1ynn s LYS 838 Ca 0.62 -0.38 0.07 0.00 -0.36 0.00 0.00 55.97 55.93 1ynn s LYS 838 Cb -0.14 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1ynn s LYS 838 CO 0.37 -0.01 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.59 1ynn s LEU 839 N 1.17 2.08 0.00 5.43 1.43 -0.08 -2.27 118.68 126.45 1ynn s LEU 839 Ca 0.05 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1ynn s LEU 839 Cb -0.14 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 1ynn s LEU 839 CO 0.04 0.29 0.09 0.00 0.23 0.00 0.00 176.35 177.00 1ynn s ALA 840 N -0.43 -0.21 0.44 4.21 0.00 -0.68 -2.59 121.76 122.51 1ynn s ALA 840 Ca 0.04 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.88 1ynn s ALA 840 Cb -0.12 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1ynn s ALA 840 CO 0.01 -0.18 0.55 0.54 0.00 0.00 0.00 175.76 176.68 1ynn s ASN 841 N -1.27 5.46 0.12 0.00 6.03 -1.08 -0.51 114.94 123.70 1ynn s ASN 841 Ca -0.14 -0.55 0.22 0.00 -1.03 0.00 0.00 52.86 51.37 1ynn s ASN 841 Cb -0.08 -0.52 0.89 0.00 -3.03 0.00 0.00 41.25 38.52 1ynn s ASN 841 CO 0.01 -0.81 1.69 0.54 -2.03 0.00 0.00 177.10 176.50 1ynn n ARG 842 N -1.83 0.11 0.00 3.55 1.74 -1.26 -1.79 116.66 117.18 1ynn n ARG 842 Ca 0.08 0.25 0.15 0.00 -0.77 0.00 0.00 57.85 57.56 1ynn n ARG 842 Cb 0.60 -1.68 0.74 0.00 -1.02 0.00 0.00 32.46 31.11 1ynn n ARG 842 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ynn n HIS 843 N -1.88 0.00 -1.11 -1.55 8.25 -1.26 -4.20 115.22 113.47 1ynn n HIS 843 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ynn n HIS 843 Cb 0.27 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1ynn n HIS 843 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ynn n GLY 844 N 1.14 1.10 3.39 -1.41 0.00 -0.74 -4.16 105.19 104.50 1ynn n GLY 844 Ca 0.19 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1ynn n GLY 844 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ynn s ASN 845 N -2.55 6.61 0.77 1.61 3.84 -1.25 -4.74 114.94 119.23 1ynn s ASN 845 Ca 0.00 -2.20 -0.06 0.00 0.21 0.00 0.00 52.86 50.80 1ynn s ASN 845 Cb 0.00 -2.30 0.12 0.00 -0.55 0.00 0.00 41.25 38.51 1ynn s ASN 845 CO 0.00 -0.87 1.07 -1.59 -2.79 0.00 0.00 177.10 172.92 1ynn s LYS 846 N 1.65 1.64 0.00 0.43 -2.85 -1.26 -2.63 119.74 116.72 1ynn s LYS 846 Ca 0.23 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 1ynn s LYS 846 Cb -0.10 -2.16 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 1ynn s LYS 846 CO -0.07 -1.58 0.00 0.41 0.10 0.00 0.00 175.35 174.21 1ynn n GLY 847 N -3.07 3.55 3.70 0.59 0.00 -1.07 -4.92 105.19 103.97 1ynn n GLY 847 Ca 0.12 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1ynn n GLY 847 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ynn s VAL 848 N -2.00 4.15 0.00 1.61 -7.23 -1.25 -0.90 120.40 114.78 1ynn s VAL 848 Ca 0.00 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 1ynn s VAL 848 Cb 0.00 -2.94 -0.06 0.00 0.56 0.00 0.00 36.38 33.95 1ynn s VAL 848 CO 0.00 0.22 1.46 -0.69 -0.31 0.00 0.00 175.10 175.78 1ynn s VAL 849 N -1.24 3.60 -0.24 1.32 1.01 0.26 0.06 120.40 125.17 1ynn s VAL 849 Ca 0.24 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.29 1ynn s VAL 849 Cb -0.12 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 1ynn s VAL 849 CO 0.16 -0.01 0.33 0.00 0.00 0.00 0.00 175.10 175.57 1ynn n ALA 850 N 5.61 2.84 -3.58 5.51 0.00 0.13 -1.01 120.51 130.01 1ynn n ALA 850 Ca 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1ynn n ALA 850 Cb 0.43 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1ynn n ALA 850 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ynn s LYS 851 N -2.35 0.50 -0.26 0.00 2.47 -1.23 -4.99 119.74 113.88 1ynn s LYS 851 Ca -0.00 1.24 -0.15 0.00 -1.56 0.00 0.00 55.97 55.50 1ynn s LYS 851 Cb 0.07 0.72 -0.04 0.00 -1.46 0.00 0.00 37.83 37.12 1ynn s LYS 851 CO 0.43 -0.17 0.36 0.96 0.16 0.00 0.00 175.35 177.08 1ynn s ILE 852 N 2.71 5.19 -0.14 5.43 -5.25 -1.26 0.42 121.20 128.30 1ynn s ILE 852 Ca -0.05 0.55 -0.10 0.00 -0.99 0.00 0.00 60.65 60.05 1ynn s ILE 852 Cb -0.10 -3.68 -0.05 0.00 2.95 0.00 0.00 42.46 41.58 1ynn s ILE 852 CO -0.19 0.18 0.20 -0.76 -1.79 0.00 0.00 174.94 172.58 1ynn s LEU 853 N 1.92 4.30 0.66 0.37 1.02 0.41 -4.80 118.68 122.56 1ynn s LEU 853 Ca 0.15 0.45 -0.18 0.00 0.02 0.00 0.00 54.13 54.57 1ynn s LEU 853 Cb -0.16 -2.20 -0.00 0.00 0.02 0.00 0.00 46.19 43.85 1ynn s LEU 853 CO 0.09 0.25 1.28 -2.16 0.02 0.00 0.00 176.35 175.84 1ynn s PRO 854 N -0.22 2.50 0.63 1.29 0.04 -1.26 -0.64 135.00 137.33 1ynn s PRO 854 Ca 0.14 2.03 0.36 0.00 0.04 0.00 0.00 61.00 63.56 1ynn s PRO 854 Cb -0.12 -1.84 1.95 0.00 0.04 0.00 0.00 34.50 34.52 1ynn s PRO 854 CO 0.03 -1.63 2.09 0.28 0.04 0.00 0.00 177.00 177.81 1ynn h VAL 855 N 0.44 0.00 -0.28 -0.36 2.07 -1.97 -2.66 116.25 113.49 1ynn h VAL 855 Ca -0.51 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1ynn h VAL 855 Cb 1.33 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1ynn h VAL 855 CO 0.53 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.87 1ynn h GLU 856 N 0.00 0.43 0.00 1.57 3.07 -1.93 -3.41 114.58 114.31 1ynn h GLU 856 Ca 0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1ynn h GLU 856 Cb 0.29 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1ynn h GLU 856 CO 0.00 0.50 0.00 -0.25 -1.40 0.00 0.00 179.01 177.86 1ynn n ASP 857 N -4.71 0.00 -0.74 1.42 8.00 -1.00 -3.96 116.55 115.56 1ynn n ASP 857 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1ynn n ASP 857 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1ynn n ASP 857 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1ynn n MET 858 N 0.00 -1.21 -1.63 -1.24 2.81 -1.26 -4.60 117.12 109.99 1ynn n MET 858 Ca 0.00 1.16 -0.47 0.00 -1.81 0.00 0.00 57.70 56.57 1ynn n MET 858 Cb 0.00 -0.93 -0.04 0.00 -0.71 0.00 0.00 33.22 31.54 1ynn n MET 858 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1ynn n PRO 859 N 0.25 1.67 -4.49 0.03 -0.02 -1.26 -3.42 135.00 127.76 1ynn n PRO 859 Ca 0.00 0.60 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 1ynn n PRO 859 Cb 0.00 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.10 1ynn n PRO 859 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ynn s HIS 860 N 0.21 1.09 0.64 6.00 -3.43 -0.71 -1.50 115.29 117.59 1ynn s HIS 860 Ca 0.75 -0.23 -0.17 0.00 -0.80 0.00 0.00 55.06 54.61 1ynn s HIS 860 Cb -0.76 -0.69 -0.01 0.00 -1.43 0.00 0.00 32.58 29.69 1ynn s HIS 860 CO 0.47 -0.01 1.16 -0.51 -2.00 0.00 0.00 174.74 173.85 1ynn s LEU 861 N -0.45 3.51 0.28 5.38 1.02 0.38 -2.59 118.68 126.20 1ynn s LEU 861 Ca 0.04 2.21 0.01 0.00 0.02 0.00 0.00 54.13 56.41 1ynn s LEU 861 Cb -0.05 -4.58 0.61 0.00 0.02 0.00 0.00 46.19 42.19 1ynn s LEU 861 CO -0.00 -1.68 1.77 1.55 0.02 0.00 0.00 176.35 178.00 1ynn h PRO 862 N 0.39 0.66 -0.03 1.29 0.13 -1.87 -0.48 132.00 132.08 1ynn h PRO 862 Ca -0.48 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1ynn h PRO 862 Cb 1.27 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ynn h PRO 862 CO 0.54 0.44 0.19 0.38 -0.23 0.00 0.00 178.00 179.32 1ynn h ASP 863 N 0.68 0.00 0.00 1.44 -0.00 -1.99 -3.45 116.42 113.10 1ynn h ASP 863 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.54 1ynn h ASP 863 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.07 1ynn h ASP 863 CO -0.37 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.48 1ynn n GLY 864 N -1.20 1.15 3.72 7.15 0.00 -0.19 -5.10 105.19 110.73 1ynn n GLY 864 Ca -0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1ynn n GLY 864 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ynn s THR 865 N -0.56 2.70 0.49 2.61 -4.23 -1.26 -4.73 115.64 110.67 1ynn s THR 865 Ca 0.00 0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 1ynn s THR 865 Cb 0.00 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 1ynn s THR 865 CO 0.00 0.05 0.77 -2.16 -0.54 0.00 0.00 174.62 172.74 1ynn s PRO 866 N 0.76 3.26 0.79 3.99 0.04 -1.26 -0.47 135.00 142.10 1ynn s PRO 866 Ca 0.67 -0.06 -0.10 0.00 0.04 0.00 0.00 61.00 61.55 1ynn s PRO 866 Cb -0.43 -2.41 0.09 0.00 0.04 0.00 0.00 34.50 31.79 1ynn s PRO 866 CO 0.34 -0.33 1.13 0.14 0.04 0.00 0.00 177.00 178.33 1ynn s VAL 867 N -2.73 2.10 -0.07 -0.36 -7.23 -0.56 -4.92 120.40 106.63 1ynn s VAL 867 Ca 0.49 -0.12 0.07 0.00 -1.81 0.00 0.00 61.98 60.61 1ynn s VAL 867 Cb -0.10 -2.98 -0.10 0.00 0.56 0.00 0.00 36.38 33.75 1ynn s VAL 867 CO 0.43 0.00 0.04 0.47 -0.31 0.00 0.00 175.10 175.72 1ynn n ASP 868 N -3.22 3.05 -3.81 4.85 8.00 0.20 -4.76 116.55 120.86 1ynn n ASP 868 Ca 0.09 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 1ynn n ASP 868 Cb 0.61 0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 42.31 1ynn n ASP 868 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ynn s VAL 869 N -2.22 -0.02 -0.42 2.53 0.11 -0.59 -2.21 120.40 117.58 1ynn s VAL 869 Ca -0.04 0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1ynn s VAL 869 Cb 0.03 -0.15 0.08 0.00 -1.53 0.00 0.00 36.38 34.81 1ynn s VAL 869 CO 0.33 0.03 0.26 -0.63 -3.33 0.00 0.00 175.10 171.76 1ynn s ILE 870 N 0.50 4.13 -0.32 7.04 1.01 -1.10 -0.03 121.20 132.42 1ynn s ILE 870 Ca -0.04 -1.48 -0.10 0.00 0.00 0.00 0.00 60.65 59.04 1ynn s ILE 870 Cb -0.05 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1ynn s ILE 870 CO -0.02 -0.53 0.17 -0.22 0.00 0.00 0.00 174.94 174.33 1ynn s LEU 871 N 1.40 4.19 0.18 2.97 2.96 0.64 -3.54 118.68 127.47 1ynn s LEU 871 Ca 0.03 -0.54 -0.32 0.00 -0.22 0.00 0.00 54.13 53.09 1ynn s LEU 871 Cb -0.23 -2.02 -0.12 0.00 0.50 0.00 0.00 46.19 44.32 1ynn s LEU 871 CO 0.01 -0.21 1.75 -3.20 -1.32 0.00 0.00 176.35 173.39 1ynn n ASN 872 N 5.00 3.95 -0.02 3.68 2.85 -1.23 -2.44 115.26 127.05 1ynn n ASN 872 Ca -0.14 1.04 -0.04 0.00 -0.11 0.00 0.00 54.58 55.34 1ynn n ASN 872 Cb 0.49 -1.55 0.19 0.00 1.24 0.00 0.00 39.78 40.15 1ynn n ASN 872 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ynn h PRO 873 N 7.32 0.59 -0.13 1.20 0.13 -1.86 -3.19 132.00 136.06 1ynn h PRO 873 Ca -0.44 -0.19 0.04 0.00 -0.87 0.00 0.00 66.00 64.53 1ynn h PRO 873 Cb 1.21 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ynn h PRO 873 CO 0.95 0.72 0.40 -0.07 -0.23 0.00 0.00 178.00 179.77 1ynn h LEU 874 N 0.53 0.00 -2.13 1.56 3.38 -1.95 0.07 115.31 116.77 1ynn h LEU 874 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1ynn h LEU 874 Cb 0.58 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1ynn h LEU 874 CO 0.04 0.00 0.09 0.61 0.09 0.00 0.00 178.44 179.26 1ynn n GLY 875 N -1.31 2.27 0.65 0.83 0.00 -1.21 -4.29 105.19 102.13 1ynn n GLY 875 Ca 0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1ynn n GLY 875 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ynn n VAL 876 N 0.20 0.96 0.10 1.61 0.31 0.01 -4.74 118.33 116.77 1ynn n VAL 876 Ca 0.09 0.05 0.02 0.00 -0.01 0.00 0.00 64.34 64.49 1ynn n VAL 876 Cb 0.63 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 1ynn n VAL 876 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ynn h PRO 877 N -0.41 0.00 0.36 5.55 0.13 -1.77 -3.31 132.00 132.54 1ynn h PRO 877 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1ynn h PRO 877 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1ynn h PRO 877 CO -0.10 0.37 -0.27 1.03 -0.23 0.00 0.00 178.00 178.81 1ynn h SER 878 N 0.00 -0.69 -4.31 1.44 0.87 -1.88 -3.40 113.55 105.58 1ynn h SER 878 Ca -0.07 0.05 -0.51 0.00 -1.23 0.00 0.00 61.79 60.03 1ynn h SER 878 Cb 1.43 0.21 0.12 0.00 -0.44 0.00 0.00 62.40 63.72 1ynn h SER 878 CO 0.05 -0.38 0.33 0.00 -0.53 0.00 0.00 176.83 176.30 1ynn s ARG 879 N -4.52 2.39 -0.55 2.24 3.03 -1.25 -5.01 118.95 115.29 1ynn s ARG 879 Ca -0.10 1.16 0.04 0.00 2.03 0.00 0.00 55.73 58.87 1ynn s ARG 879 Cb 0.02 -1.91 0.38 0.00 -1.03 0.00 0.00 34.95 32.40 1ynn s ARG 879 CO 0.32 -1.54 1.11 -1.33 -1.13 0.00 0.00 175.30 172.73 1ynn n MET 880 N -3.37 3.41 -1.60 3.89 2.81 -1.26 -4.72 117.12 116.30 1ynn n MET 880 Ca 0.09 -4.64 -0.30 0.00 -1.81 0.00 0.00 57.70 51.04 1ynn n MET 880 Cb 0.53 -2.26 -0.05 0.00 -0.71 0.00 0.00 33.22 30.73 1ynn n MET 880 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1ynn n ASN 881 N -0.36 6.87 0.30 7.83 2.04 -1.26 0.72 115.26 131.40 1ynn n ASN 881 Ca 0.36 -3.13 0.17 0.00 -0.44 0.00 0.00 54.58 51.54 1ynn n ASN 881 Cb 0.50 -1.29 0.93 0.00 -2.53 0.00 0.00 39.78 37.39 1ynn n ASN 881 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1ynn h LEU 882 N 4.51 0.00 -0.92 -4.53 5.85 -1.38 -2.63 115.31 116.21 1ynn h LEU 882 Ca 0.47 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.32 1ynn h LEU 882 Cb 0.65 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 1ynn h LEU 882 CO 1.02 0.04 0.55 1.23 -0.34 0.00 0.00 178.44 180.94 1ynn h GLY 883 N 0.51 1.50 0.50 3.75 0.00 -1.57 -1.97 103.07 105.78 1ynn h GLY 883 Ca -0.00 -0.36 0.17 0.00 0.00 0.00 0.00 47.33 47.14 1ynn h GLY 883 CO 0.01 0.10 0.55 0.06 0.00 0.00 0.00 176.54 177.26 1ynn h GLN 884 N 0.86 0.43 0.33 4.80 3.07 -1.79 0.33 115.11 123.13 1ynn h GLN 884 Ca 0.47 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 59.16 1ynn h GLN 884 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1ynn h GLN 884 CO -0.28 0.28 -0.16 0.82 0.09 0.00 0.00 178.83 179.58 1ynn h ILE 885 N 0.44 0.53 -0.78 1.86 1.08 -1.56 -2.95 117.51 116.13 1ynn h ILE 885 Ca 0.42 -0.73 0.18 0.00 -0.39 0.00 0.00 64.86 64.35 1ynn h ILE 885 Cb 0.98 0.83 -0.12 0.00 -3.07 0.00 0.00 36.82 35.43 1ynn h ILE 885 CO -0.15 0.11 0.15 0.25 -0.69 0.00 0.00 178.15 177.82 1ynn h LEU 886 N -0.92 -0.08 -1.59 1.44 7.12 -1.05 0.27 115.31 120.49 1ynn h LEU 886 Ca -0.04 0.17 -0.05 0.00 0.13 0.00 0.00 57.88 58.09 1ynn h LEU 886 Cb 0.52 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 1ynn h LEU 886 CO 0.07 -0.11 -0.22 -0.08 -0.13 0.00 0.00 178.44 177.98 1ynn h GLU 887 N 0.21 0.00 -0.18 1.25 4.81 -0.45 -2.86 114.58 117.37 1ynn h GLU 887 Ca 0.45 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.48 1ynn h GLU 887 Cb 0.83 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.22 1ynn h GLU 887 CO -0.59 0.22 -0.69 1.15 -0.73 0.00 0.00 179.01 178.37 1ynn h THR 888 N 0.00 1.28 0.41 0.32 2.02 -0.77 -2.84 112.91 113.34 1ynn h THR 888 Ca -0.00 -1.89 -0.02 0.00 0.77 0.00 0.00 66.41 65.27 1ynn h THR 888 Cb 0.42 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1ynn h THR 888 CO 0.03 0.60 -0.21 0.45 0.37 0.00 0.00 175.52 176.76 1ynn h HIS 889 N 0.52 -0.53 -0.96 3.16 3.86 -1.23 -1.17 115.15 118.81 1ynn h HIS 889 Ca -0.03 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1ynn h HIS 889 Cb 1.31 0.18 -0.08 0.00 1.06 0.00 0.00 27.41 29.89 1ynn h HIS 889 CO 0.09 -0.33 0.61 1.25 0.86 0.00 0.00 177.93 180.41 1ynn h LEU 890 N -0.56 0.87 -2.07 2.43 5.85 -1.64 0.40 115.31 120.58 1ynn h LEU 890 Ca -0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ynn h LEU 890 Cb 0.44 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1ynn h LEU 890 CO 0.08 0.48 0.00 1.23 -0.34 0.00 0.00 178.44 179.89 1ynn h GLY 891 N 0.94 0.00 0.80 3.75 0.00 -1.12 0.35 103.07 107.79 1ynn h GLY 891 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.58 1ynn h GLY 891 CO -0.23 0.00 -0.93 -2.00 0.00 0.00 0.00 176.54 173.38 1ynn h LEU 892 N 0.00 0.54 0.38 3.11 5.85 0.27 -2.52 115.31 122.94 1ynn h LEU 892 Ca 0.00 -0.94 -0.01 0.00 0.84 0.00 0.00 57.88 57.76 1ynn h LEU 892 Cb 0.23 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1ynn h LEU 892 CO 0.00 1.45 -0.30 0.00 -0.34 0.00 0.00 178.44 179.25 1ynn h ALA 893 N 0.10 -1.05 -1.19 1.25 0.00 -0.65 -2.76 119.26 114.96 1ynn h ALA 893 Ca -0.16 -0.13 0.39 0.00 0.00 0.00 0.00 54.91 55.01 1ynn h ALA 893 Cb 1.73 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 19.88 1ynn h ALA 893 CO 0.18 -1.05 0.75 0.78 0.00 0.00 0.00 179.25 179.90 1ynn h GLY 894 N -0.66 1.52 0.99 0.00 0.00 -0.49 0.23 103.07 104.66 1ynn h GLY 894 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1ynn h GLY 894 CO 0.00 -0.42 0.29 -1.82 0.00 0.00 0.00 176.54 174.60 1ynn h TYR 895 N 0.16 0.82 0.07 5.60 3.20 -1.17 0.43 116.97 126.09 1ynn h TYR 895 Ca 0.78 -0.03 -0.37 0.00 3.14 0.00 0.00 58.73 62.24 1ynn h TYR 895 Cb 2.24 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 40.21 1ynn h TYR 895 CO -0.01 0.62 -2.14 1.19 -1.64 0.00 0.00 178.16 176.19 1ynn n PHE 896 N -4.56 0.80 0.52 -3.82 3.01 0.28 -3.88 117.46 109.81 1ynn n PHE 896 Ca 0.03 0.18 0.09 0.00 1.01 0.00 0.00 57.45 58.76 1ynn n PHE 896 Cb 0.11 -1.10 0.37 0.00 -0.01 0.00 0.00 39.48 38.85 1ynn n PHE 896 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1ynn n LEU 897 N -3.49 0.16 -3.48 4.37 7.94 0.56 -4.93 117.00 118.12 1ynn n LEU 897 Ca -0.37 0.54 -0.24 0.00 -1.11 0.00 0.00 56.01 54.83 1ynn n LEU 897 Cb 1.00 -0.51 0.06 0.00 0.53 0.00 0.00 43.42 44.50 1ynn n LEU 897 CO 0.35 -0.29 -0.02 0.61 -1.11 0.00 0.00 177.39 176.92 1ynn n GLY 898 N 0.14 -1.05 3.41 -3.96 0.00 0.14 -4.97 105.19 98.91 1ynn n GLY 898 Ca 0.04 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 1ynn n GLY 898 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ynn s GLN 899 N -5.24 1.39 0.37 1.61 -2.07 -0.82 -4.70 119.66 110.20 1ynn s GLN 899 Ca 0.45 -1.42 0.08 0.00 -1.82 0.00 0.00 55.36 52.65 1ynn s GLN 899 Cb -0.11 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 1ynn s GLN 899 CO 0.80 -0.53 0.27 1.03 -1.32 0.00 0.00 175.29 175.55 1ynn s ARG 900 N -4.08 2.52 0.13 9.60 0.52 -0.79 -4.66 118.95 122.19 1ynn s ARG 900 Ca 0.30 -1.49 -0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1ynn s ARG 900 Cb 0.03 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1ynn s ARG 900 CO 0.10 -0.02 0.04 0.71 0.02 0.00 0.00 175.30 176.15 1ynn s TYR 901 N -2.42 0.89 -0.36 -0.53 1.51 0.08 -2.75 117.35 113.77 1ynn s TYR 901 Ca 0.42 -1.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1ynn s TYR 901 Cb -0.03 -0.51 0.14 0.00 -0.11 0.00 0.00 41.96 41.44 1ynn s TYR 901 CO 0.26 -0.44 0.21 0.42 -1.11 0.00 0.00 175.55 174.88 1ynn s ILE 902 N -3.96 0.31 -0.61 2.71 1.09 -0.67 -1.02 121.20 119.06 1ynn s ILE 902 Ca 0.22 -1.81 -0.04 0.00 -1.10 0.00 0.00 60.65 57.92 1ynn s ILE 902 Cb 0.07 -1.24 0.16 0.00 -1.06 0.00 0.00 42.46 40.39 1ynn s ILE 902 CO 0.01 -0.97 0.43 -0.55 -0.10 0.00 0.00 174.94 173.76 1ynn s SER 903 N 0.99 5.38 0.89 3.58 0.15 0.55 -2.12 113.70 123.11 1ynn s SER 903 Ca 0.18 -2.71 -0.11 0.00 0.70 0.00 0.00 55.95 54.01 1ynn s SER 903 Cb -0.23 -1.89 0.13 0.00 -1.71 0.00 0.00 66.02 62.32 1ynn s SER 903 CO 0.00 -0.42 1.11 -2.16 1.20 0.00 0.00 173.24 172.97 1ynn s PRO 904 N 0.15 1.28 0.13 5.44 0.04 -1.25 -4.52 135.00 136.26 1ynn s PRO 904 Ca 0.16 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 1ynn s PRO 904 Cb -0.20 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1ynn s PRO 904 CO -0.04 -2.34 1.73 0.08 0.04 0.00 0.00 177.00 176.47 1ynn s VAL 905 N -2.77 2.57 -1.52 -0.36 1.01 -1.26 -1.53 120.40 116.55 1ynn s VAL 905 Ca 0.64 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 1ynn s VAL 905 Cb -0.20 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.12 1ynn s VAL 905 CO 0.58 0.01 0.96 0.49 0.00 0.00 0.00 175.10 177.13 1ynn n PHE 906 N 5.08 -2.30 0.00 5.22 0.99 -1.26 -4.69 117.46 120.50 1ynn n PHE 906 Ca 0.16 0.87 0.00 0.00 -0.00 0.00 0.00 57.45 58.49 1ynn n PHE 906 Cb 0.38 -3.99 0.00 0.00 -1.00 0.00 0.00 39.48 34.87 1ynn n PHE 906 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ynn n ASP 907 N -2.80 0.00 0.00 4.37 2.03 -0.93 -4.96 116.55 114.26 1ynn n ASP 907 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1ynn n ASP 907 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1ynn n ASP 907 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ynn n GLY 908 N 0.00 2.00 3.76 0.27 0.00 -0.58 -3.65 105.19 106.99 1ynn n GLY 908 Ca 0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1ynn n GLY 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynn s ALA 909 N -2.29 3.31 0.01 4.61 0.00 -1.26 -4.11 121.76 122.04 1ynn s ALA 909 Ca 0.00 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.83 1ynn s ALA 909 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1ynn s ALA 909 CO 0.00 -0.15 -0.11 0.95 0.00 0.00 0.00 175.76 176.46 1ynn s THR 910 N -1.30 3.35 0.16 0.00 -4.23 -1.26 -5.00 115.64 107.36 1ynn s THR 910 Ca 0.48 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.78 1ynn s THR 910 Cb -0.29 -2.44 -0.07 0.00 1.34 0.00 0.00 72.50 71.05 1ynn s THR 910 CO 0.37 0.39 1.54 -0.33 -0.54 0.00 0.00 174.62 176.05 1ynn h GLU 911 N 4.58 -0.08 -0.92 3.99 5.08 -1.99 0.41 114.58 125.63 1ynn h GLU 911 Ca -0.48 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1ynn h GLU 911 Cb 1.16 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1ynn h GLU 911 CO 0.52 -0.06 0.43 -1.00 -1.00 0.00 0.00 179.01 177.90 1ynn h PRO 912 N -0.09 0.39 -0.42 2.33 0.13 -1.98 0.34 132.00 132.70 1ynn h PRO 912 Ca 0.15 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1ynn h PRO 912 Cb 0.46 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1ynn h PRO 912 CO -0.87 0.26 0.23 0.93 -0.23 0.00 0.00 178.00 178.32 1ynn h GLU 913 N 0.40 0.58 -0.35 0.86 5.08 -0.63 0.24 114.58 120.76 1ynn h GLU 913 Ca 0.59 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.86 1ynn h GLU 913 Cb 1.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1ynn h GLU 913 CO -0.54 0.46 0.12 0.82 -1.00 0.00 0.00 179.01 178.86 1ynn h ILE 914 N 0.54 1.20 -0.51 3.13 2.04 -0.08 -2.01 117.51 121.82 1ynn h ILE 914 Ca 0.15 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1ynn h ILE 914 Cb 0.04 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1ynn h ILE 914 CO -0.02 0.23 0.34 0.11 0.00 0.00 0.00 178.15 178.80 1ynn h LYS 915 N 0.42 0.67 -0.51 2.37 1.79 0.10 0.23 116.57 121.63 1ynn h LYS 915 Ca 0.12 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.61 1ynn h LYS 915 Cb 0.23 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 1ynn h LYS 915 CO -0.01 0.44 0.21 1.49 -1.08 0.00 0.00 179.45 180.50 1ynn h GLU 916 N 0.69 0.40 -0.86 3.15 4.22 -0.46 0.41 114.58 122.12 1ynn h GLU 916 Ca 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.61 1ynn h GLU 916 Cb -0.07 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1ynn h GLU 916 CO -0.05 0.26 0.53 -0.07 -2.18 0.00 0.00 179.01 177.51 1ynn h LEU 917 N 0.41 1.02 -0.22 1.64 3.38 -0.56 0.49 115.31 121.46 1ynn h LEU 917 Ca 0.24 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1ynn h LEU 917 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ynn h LEU 917 CO -0.22 0.77 0.00 -0.07 0.09 0.00 0.00 178.44 179.02 1ynn h LEU 918 N 1.18 0.38 -0.28 1.67 4.07 0.44 0.22 115.31 123.00 1ynn h LEU 918 Ca 0.31 -0.30 0.05 0.00 0.08 0.00 0.00 57.88 58.02 1ynn h LEU 918 Cb -0.07 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.52 1ynn h LEU 918 CO -0.06 0.59 -0.01 0.00 -1.08 0.00 0.00 178.44 177.88 1ynn h ALA 919 N 0.80 0.23 -0.89 1.53 0.00 0.06 0.36 119.26 121.36 1ynn h ALA 919 Ca 0.06 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ynn h ALA 919 Cb 0.39 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1ynn h ALA 919 CO 0.01 -0.43 0.58 1.49 0.00 0.00 0.00 179.25 180.91 1ynn h GLU 920 N 0.06 1.08 -0.10 0.00 4.81 -0.81 -2.87 114.58 116.76 1ynn h GLU 920 Ca 0.13 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.09 1ynn h GLU 920 Cb 0.18 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1ynn h GLU 920 CO -0.24 0.72 -0.78 0.00 -0.73 0.00 0.00 179.01 177.98 1ynn h ALA 921 N 1.48 0.45 -0.48 2.92 0.00 0.69 -3.28 119.26 121.04 1ynn h ALA 921 Ca 0.35 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1ynn h ALA 921 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ynn h ALA 921 CO -0.10 0.73 -0.10 0.35 0.00 0.00 0.00 179.25 180.13 1ynn h PHE 922 N 0.39 0.95 0.00 0.00 3.57 -0.16 -2.12 116.94 119.57 1ynn h PHE 922 Ca -0.05 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1ynn h PHE 922 Cb 1.38 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1ynn h PHE 922 CO 0.06 0.92 0.06 -0.91 -2.23 0.00 0.00 178.31 176.21 1ynn h ASN 923 N 0.78 0.00 0.00 0.41 -0.26 -1.57 0.71 115.58 115.65 1ynn h ASN 923 Ca 0.13 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.67 1ynn h ASN 923 Cb 0.61 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 1ynn h ASN 923 CO 0.04 0.00 -1.25 0.18 -1.06 0.00 0.00 177.43 175.34 1ynn n LEU 924 N -2.74 1.86 -0.29 1.61 4.32 -0.91 -1.63 117.00 119.22 1ynn n LEU 924 Ca -0.02 0.46 0.03 0.00 -0.02 0.00 0.00 56.01 56.45 1ynn n LEU 924 Cb 0.12 -0.91 0.23 0.00 -1.62 0.00 0.00 43.42 41.23 1ynn n LEU 924 CO 0.15 0.11 1.25 0.22 -1.22 0.00 0.00 177.39 177.90 1ynn h TYR 925 N -1.00 1.05 0.00 -1.77 3.20 -1.09 0.75 116.97 118.10 1ynn h TYR 925 Ca -0.30 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.53 1ynn h TYR 925 Cb 1.14 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1ynn h TYR 925 CO -0.03 0.58 -1.06 0.35 -1.64 0.00 0.00 178.16 176.36 1ynn h PHE 926 N 1.06 0.00 -0.29 -3.82 3.57 -1.08 -3.09 116.94 113.29 1ynn h PHE 926 Ca 0.37 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.89 1ynn h PHE 926 Cb 0.10 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1ynn h PHE 926 CO -0.00 0.23 0.13 0.78 -2.23 0.00 0.00 178.31 177.22 1ynn h GLY 927 N 3.87 0.38 0.52 2.40 0.00 -0.09 -1.29 103.07 108.86 1ynn h GLY 927 Ca -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1ynn h GLY 927 CO 0.02 0.06 -0.39 1.70 0.00 0.00 0.00 176.54 177.94 1ynn h LYS 928 N 0.27 -0.83 -0.66 4.80 3.64 0.31 -0.46 116.57 123.63 1ynn h LYS 928 Ca 0.12 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 1ynn h LYS 928 Cb 0.06 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 31.99 1ynn h LYS 928 CO -0.10 -0.56 -0.39 -2.13 -2.27 0.00 0.00 179.45 174.00 1ynn n ARG 929 N -4.78 -0.29 0.18 1.90 3.00 -1.08 -0.21 116.66 115.37 1ynn n ARG 929 Ca -0.10 1.14 0.04 0.00 -0.00 0.00 0.00 57.85 58.93 1ynn n ARG 929 Cb 0.37 -1.68 0.30 0.00 0.00 0.00 0.00 32.46 31.45 1ynn n ARG 929 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1ynn h GLN 930 N 0.00 0.00 -0.26 -0.14 4.20 -1.24 -1.19 115.11 116.48 1ynn h GLN 930 Ca 0.11 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 1ynn h GLN 930 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1ynn h GLN 930 CO -0.62 0.42 -0.46 0.78 -0.67 0.00 0.00 178.83 178.28 1ynn h GLY 931 N 2.07 0.84 0.25 3.46 0.00 0.96 -2.81 103.07 107.84 1ynn h GLY 931 Ca -0.00 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.35 1ynn h GLY 931 CO 0.05 0.87 0.00 -2.21 0.00 0.00 0.00 176.54 175.26 1ynn n GLU 932 N -4.13 1.00 -1.53 4.80 4.07 0.70 -4.90 120.64 120.66 1ynn n GLU 932 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1ynn n GLU 932 Cb 0.58 -1.13 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 1ynn n GLU 932 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ynn n GLY 933 N 0.63 0.64 2.63 8.31 0.00 -0.94 -5.05 105.19 111.41 1ynn n GLY 933 Ca 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1ynn n GLY 933 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ynn n PHE 934 N -1.07 -0.88 0.00 1.61 3.01 -0.49 -4.99 117.46 114.65 1ynn n PHE 934 Ca 0.00 -2.12 0.00 0.00 1.01 0.00 0.00 57.45 56.34 1ynn n PHE 934 Cb 0.35 0.32 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 1ynn n PHE 934 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ynn n GLY 935 N -0.49 3.37 1.78 1.37 0.00 -1.26 -3.77 105.19 106.19 1ynn n GLY 935 Ca 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 1ynn n GLY 935 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ynn n VAL 936 N -0.89 -0.46 -1.78 1.61 0.31 -1.26 -4.91 118.33 110.94 1ynn n VAL 936 Ca 0.00 0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.03 1ynn n VAL 936 Cb 0.00 -0.42 0.03 0.00 -0.91 0.00 0.00 33.84 32.54 1ynn n VAL 936 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1ynn s ASP 937 N -0.85 5.70 0.52 4.52 1.47 -1.26 -4.78 116.67 121.99 1ynn s ASP 937 Ca 0.03 1.38 0.35 0.00 1.18 0.00 0.00 52.55 55.49 1ynn s ASP 937 Cb -0.00 -2.31 1.50 0.00 -0.34 0.00 0.00 42.92 41.77 1ynn s ASP 937 CO 0.11 -1.21 1.79 0.11 0.68 0.00 0.00 175.17 176.65 1ynn h LYS 938 N -0.56 0.05 0.60 2.11 1.57 -2.01 0.30 116.57 118.63 1ynn h LYS 938 Ca -0.44 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1ynn h LYS 938 Cb 1.22 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.52 1ynn h LYS 938 CO 0.61 0.03 -0.29 0.00 -0.57 0.00 0.00 179.45 179.24 1ynn h ARG 939 N 0.05 -0.77 -0.82 3.15 -0.00 -1.99 -2.60 114.38 111.40 1ynn h ARG 939 Ca 0.59 0.05 0.20 0.00 -0.50 0.00 0.00 59.98 60.32 1ynn h ARG 939 Cb 2.24 0.18 -0.14 0.00 0.00 0.00 0.00 29.97 32.25 1ynn h ARG 939 CO -0.06 -0.46 0.01 0.93 0.00 0.00 0.00 179.97 180.40 1ynn h GLU 940 N -1.08 0.09 0.68 0.04 5.08 -1.29 -1.34 114.58 116.76 1ynn h GLU 940 Ca -0.08 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1ynn h GLU 940 Cb 0.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ynn h GLU 940 CO 0.13 0.06 -0.43 0.87 -1.00 0.00 0.00 179.01 178.65 1ynn h LYS 941 N 0.09 -1.00 -0.79 2.33 1.57 -1.51 -0.21 116.57 117.05 1ynn h LYS 941 Ca 0.46 0.07 0.20 0.00 -1.87 0.00 0.00 60.65 59.51 1ynn h LYS 941 Cb 0.84 0.23 -0.15 0.00 0.08 0.00 0.00 32.23 33.23 1ynn h LYS 941 CO -0.73 -0.67 -0.03 -1.91 -0.57 0.00 0.00 179.45 175.54 1ynn n GLU 942 N -5.56 -0.06 0.05 3.15 2.13 -0.54 0.03 120.64 119.84 1ynn n GLU 942 Ca -0.13 1.19 -0.02 0.00 0.66 0.00 0.00 57.16 58.86 1ynn n GLU 942 Cb 0.44 -1.87 -0.01 0.00 0.27 0.00 0.00 31.44 30.27 1ynn n GLU 942 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ynn h VAL 943 N 0.00 0.00 -0.88 6.31 2.07 -1.15 -3.22 116.25 119.37 1ynn h VAL 943 Ca 0.46 -0.02 0.30 0.00 0.82 0.00 0.00 66.70 68.25 1ynn h VAL 943 Cb 0.89 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.50 1ynn h VAL 943 CO -0.76 0.00 0.21 0.18 0.02 0.00 0.00 177.57 177.22 1ynn n LEU 944 N -2.41 0.07 0.34 2.57 4.77 0.10 -0.21 117.00 122.23 1ynn n LEU 944 Ca -0.02 1.49 -0.16 0.00 -0.03 0.00 0.00 56.01 57.29 1ynn n LEU 944 Cb 0.05 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1ynn n LEU 944 CO 0.04 -1.57 0.53 0.00 -1.33 0.00 0.00 177.39 175.05 1ynn h ALA 945 N 1.77 -1.19 0.00 -1.18 0.00 -1.30 -1.66 119.26 115.70 1ynn h ALA 945 Ca 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ynn h ALA 945 Cb 1.48 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1ynn h ALA 945 CO -0.77 -1.16 0.00 0.07 0.00 0.00 0.00 179.25 177.39 1ynn h ARG 946 N -0.96 0.00 -0.29 0.00 0.11 -0.64 -2.56 114.38 110.04 1ynn h ARG 946 Ca -0.08 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.86 1ynn h ARG 946 Cb 0.78 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 1ynn h ARG 946 CO 0.06 0.00 -0.35 0.00 0.10 0.00 0.00 179.97 179.78 1ynn h ALA 947 N 2.05 0.44 -0.10 0.08 0.00 0.10 -1.65 119.26 120.18 1ynn h ALA 947 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1ynn h ALA 947 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ynn h ALA 947 CO 0.00 0.50 -0.47 1.05 0.00 0.00 0.00 179.25 180.34 1ynn h GLU 948 N 0.51 0.25 -0.35 0.00 4.11 -0.91 -2.12 114.58 116.07 1ynn h GLU 948 Ca 0.04 -0.13 -0.04 0.00 0.07 0.00 0.00 59.36 59.30 1ynn h GLU 948 Cb 0.93 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1ynn h GLU 948 CO 0.08 0.67 0.05 0.87 0.07 0.00 0.00 179.01 180.75 1ynn h LYS 949 N 0.20 0.53 -0.66 1.06 1.57 -1.44 0.15 116.57 117.98 1ynn h LYS 949 Ca 0.01 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1ynn h LYS 949 Cb 0.91 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1ynn h LYS 949 CO 0.07 0.52 0.18 -0.07 -0.57 0.00 0.00 179.45 179.58 1ynn h LEU 950 N 0.51 0.97 0.00 2.94 3.38 -0.92 -3.47 115.31 118.72 1ynn h LEU 950 Ca 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ynn h LEU 950 Cb 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ynn h LEU 950 CO 0.00 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.07 1ynn n GLY 951 N -0.77 1.78 0.02 0.83 0.00 0.53 -5.02 105.19 102.56 1ynn n GLY 951 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1ynn n GLY 951 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ynn n LEU 952 N 0.00 0.00 -4.55 0.99 7.99 -1.05 -4.99 117.00 115.38 1ynn n LEU 952 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.73 1ynn n LEU 952 Cb 0.00 0.05 -0.10 0.00 -0.11 0.00 0.00 43.42 43.27 1ynn n LEU 952 CO 0.00 0.05 -0.42 -0.69 -1.51 0.00 0.00 177.39 174.82 1ynn s VAL 953 N -3.25 3.11 -0.41 4.08 1.01 -1.25 -4.76 120.40 118.94 1ynn s VAL 953 Ca -0.07 -1.66 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 1ynn s VAL 953 Cb 0.12 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1ynn s VAL 953 CO 0.80 -0.09 1.00 -0.44 0.00 0.00 0.00 175.10 176.37 1ynn s SER 954 N -2.76 6.66 0.34 3.32 0.01 -1.26 -4.60 113.70 115.41 1ynn s SER 954 Ca 0.24 0.51 -0.28 0.00 1.31 0.00 0.00 55.95 57.72 1ynn s SER 954 Cb -0.09 -2.49 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1ynn s SER 954 CO 0.14 -1.00 1.28 -2.16 0.41 0.00 0.00 173.24 171.91 1ynn s PRO 955 N 3.80 4.33 0.00 12.44 0.04 -1.26 -2.66 135.00 151.69 1ynn s PRO 955 Ca 0.41 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1ynn s PRO 955 Cb -0.10 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1ynn s PRO 955 CO 0.23 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1ynn n GLY 956 N 0.81 2.96 3.81 0.56 0.00 -1.26 -5.07 105.19 107.00 1ynn n GLY 956 Ca 0.00 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1ynn n GLY 956 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ynn s LYS 957 N 0.00 3.21 0.21 1.61 1.02 -1.09 -5.02 119.74 119.69 1ynn s LYS 957 Ca 0.00 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 1ynn s LYS 957 Cb 0.00 -2.02 -0.08 0.00 -0.52 0.00 0.00 37.83 35.21 1ynn s LYS 957 CO 0.00 -0.89 1.06 0.45 -0.92 0.00 0.00 175.35 175.05 1ynn s SER 958 N -3.02 7.35 0.13 2.83 0.15 -1.26 -4.77 113.70 115.11 1ynn s SER 958 Ca 0.62 2.09 0.06 0.00 0.70 0.00 0.00 55.95 59.42 1ynn s SER 958 Cb -0.16 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 61.98 1ynn s SER 958 CO 0.41 -0.12 0.56 -2.65 1.20 0.00 0.00 173.24 172.64 1ynn n PRO 959 N 1.93 -0.02 0.42 5.44 -0.02 -1.26 0.33 135.00 141.82 1ynn n PRO 959 Ca 0.01 0.50 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 1ynn n PRO 959 Cb 0.46 -0.88 -0.08 0.00 -0.02 0.00 0.00 33.50 32.99 1ynn n PRO 959 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ynn h GLU 960 N 0.00 -1.03 0.00 -0.52 4.81 -2.00 -1.32 114.58 114.53 1ynn h GLU 960 Ca 0.28 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1ynn h GLU 960 Cb 0.72 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1ynn h GLU 960 CO -0.29 -0.68 -0.00 0.93 -0.73 0.00 0.00 179.01 178.23 1ynn h GLU 961 N -1.09 0.00 -0.58 1.92 5.08 -0.49 0.06 114.58 119.48 1ynn h GLU 961 Ca -0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1ynn h GLU 961 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1ynn h GLU 961 CO 0.18 0.00 0.04 1.96 -1.00 0.00 0.00 179.01 180.20 1ynn h GLN 962 N 0.00 0.99 -0.05 2.33 4.20 -0.71 -1.81 115.11 120.06 1ynn h GLN 962 Ca -0.00 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1ynn h GLN 962 Cb 0.01 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1ynn h GLN 962 CO 0.00 0.97 0.01 1.25 -0.67 0.00 0.00 178.83 180.39 1ynn h LEU 963 N 0.89 0.08 -0.11 1.46 7.12 0.19 -2.43 115.31 122.50 1ynn h LEU 963 Ca 0.17 -0.22 0.04 0.00 0.13 0.00 0.00 57.88 58.00 1ynn h LEU 963 Cb 0.49 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.54 1ynn h LEU 963 CO 0.02 0.28 -0.35 0.50 -0.13 0.00 0.00 178.44 178.77 1ynn h LYS 964 N -0.13 -0.42 -0.25 1.25 1.63 -1.28 0.17 116.57 117.55 1ynn h LYS 964 Ca 0.02 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1ynn h LYS 964 Cb 0.23 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 1ynn h LYS 964 CO 0.00 -0.28 -0.42 0.93 -3.45 0.00 0.00 179.45 176.23 1ynn h GLU 965 N -0.44 -0.33 -0.86 1.90 5.08 -1.34 0.19 114.58 118.79 1ynn h GLU 965 Ca 0.09 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 1ynn h GLU 965 Cb 0.57 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 1ynn h GLU 965 CO -0.35 -0.22 0.45 1.25 -1.00 0.00 0.00 179.01 179.14 1ynn h LEU 966 N -0.34 0.56 0.46 1.33 5.85 -1.08 -0.68 115.31 121.41 1ynn h LEU 966 Ca 0.05 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1ynn h LEU 966 Cb 0.47 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1ynn h LEU 966 CO -0.41 0.23 -0.23 0.15 -0.34 0.00 0.00 178.44 177.84 1ynn h PHE 967 N 0.64 -0.60 -0.95 1.25 3.57 -0.04 -2.35 116.94 118.46 1ynn h PHE 967 Ca 0.47 -0.01 0.39 0.00 3.53 0.00 0.00 57.97 62.35 1ynn h PHE 967 Cb 0.66 0.20 -0.17 0.00 2.79 0.00 0.00 35.95 39.43 1ynn h PHE 967 CO -0.08 -0.37 0.48 -3.47 -2.23 0.00 0.00 178.31 172.64 1ynn n ASP 968 N -3.74 0.30 0.00 0.41 2.03 0.61 0.23 116.55 116.40 1ynn n ASP 968 Ca -0.08 1.58 0.02 0.00 0.52 0.00 0.00 54.79 56.84 1ynn n ASP 968 Cb 0.25 -0.76 0.14 0.00 -0.72 0.00 0.00 41.12 40.03 1ynn n ASP 968 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ynn n LEU 969 N -5.17 0.00 0.00 -2.67 4.32 -0.32 -4.79 117.00 108.37 1ynn n LEU 969 Ca 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1ynn n LEU 969 Cb 1.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.99 1ynn n LEU 969 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1ynn n GLY 970 N -0.24 1.77 4.03 -0.72 0.00 0.64 -5.02 105.19 105.66 1ynn n GLY 970 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1ynn n GLY 970 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ynn s LYS 971 N -0.12 2.42 -0.16 1.61 1.02 -0.89 -3.15 119.74 120.47 1ynn s LYS 971 Ca 0.00 -1.50 -0.33 0.00 0.02 0.00 0.00 55.97 54.16 1ynn s LYS 971 Cb 0.00 -2.66 0.13 0.00 -0.52 0.00 0.00 37.83 34.78 1ynn s LYS 971 CO 0.00 -0.73 1.13 0.54 -0.92 0.00 0.00 175.35 175.37 1ynn s VAL 972 N -2.60 0.00 -0.19 3.17 0.11 -0.39 -3.21 120.40 117.29 1ynn s VAL 972 Ca 0.60 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.36 1ynn s VAL 972 Cb -0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1ynn s VAL 972 CO 0.38 0.00 1.07 -0.69 -3.33 0.00 0.00 175.10 172.53 1ynn s VAL 973 N -2.27 4.62 0.05 2.04 1.01 -1.26 -0.37 120.40 124.22 1ynn s VAL 973 Ca 0.07 1.94 0.06 0.00 0.00 0.00 0.00 61.98 64.05 1ynn s VAL 973 Cb -0.01 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1ynn s VAL 973 CO -0.05 -0.13 -0.13 -0.76 0.00 0.00 0.00 175.10 174.03 1ynn s LEU 974 N 2.99 2.87 -0.14 3.92 1.43 -1.26 -4.63 118.68 123.84 1ynn s LEU 974 Ca 0.47 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1ynn s LEU 974 Cb -0.17 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1ynn s LEU 974 CO 0.10 0.24 -0.02 -0.31 0.23 0.00 0.00 176.35 176.59 1ynn s TYR 975 N -1.02 3.07 -0.35 0.29 4.12 -1.07 -1.92 117.35 120.47 1ynn s TYR 975 Ca 0.17 -0.16 -0.29 0.00 0.02 0.00 0.00 57.07 56.81 1ynn s TYR 975 Cb -0.11 -1.93 0.00 0.00 -1.52 0.00 0.00 41.96 38.40 1ynn s TYR 975 CO 0.08 0.09 1.39 0.34 0.02 0.00 0.00 175.55 177.46 1ynn s ASP 976 N 0.11 6.47 0.53 2.29 2.15 -0.44 -1.73 116.67 126.05 1ynn s ASP 976 Ca 0.00 1.05 0.24 0.00 0.43 0.00 0.00 52.55 54.27 1ynn s ASP 976 Cb -0.13 -2.54 1.37 0.00 -0.30 0.00 0.00 42.92 41.32 1ynn s ASP 976 CO 0.02 -1.28 2.01 1.23 -0.17 0.00 0.00 175.17 176.99 1ynn h GLY 977 N 11.64 0.01 0.79 2.66 0.00 -1.76 -2.93 103.07 113.49 1ynn h GLY 977 Ca -0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1ynn h GLY 977 CO 1.06 0.00 -0.19 3.21 0.00 0.00 0.00 176.54 180.62 1ynn h ARG 978 N 0.01 0.43 -4.77 4.80 3.08 -1.87 -3.42 114.38 112.64 1ynn h ARG 978 Ca 0.22 -0.24 -0.58 0.00 0.07 0.00 0.00 59.98 59.45 1ynn h ARG 978 Cb 0.88 0.01 -0.34 0.00 0.08 0.00 0.00 29.97 30.60 1ynn h ARG 978 CO -0.00 0.81 -0.84 -0.08 -1.07 0.00 0.00 179.97 178.79 1ynn s THR 979 N -4.26 1.50 -0.33 2.04 -1.32 -1.10 -5.02 115.64 107.14 1ynn s THR 979 Ca -0.14 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1ynn s THR 979 Cb 0.06 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 1ynn s THR 979 CO 0.77 0.44 0.63 0.61 -2.21 0.00 0.00 174.62 174.86 1ynn n GLY 980 N 4.08 -0.15 3.69 6.08 0.00 -1.25 -4.18 105.19 113.47 1ynn n GLY 980 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1ynn n GLY 980 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ynn s GLU 981 N -2.25 0.28 0.48 1.61 2.02 -1.26 -4.70 118.70 114.88 1ynn s GLU 981 Ca 0.00 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.36 1ynn s GLU 981 Cb 0.00 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.51 1ynn s GLU 981 CO 0.00 -2.79 0.68 -1.25 0.02 0.00 0.00 175.26 171.92 1ynn s PRO 982 N -5.11 2.80 -0.29 0.39 0.04 -1.26 -1.33 135.00 130.24 1ynn s PRO 982 Ca 0.66 -0.78 -0.21 0.00 0.04 0.00 0.00 61.00 60.71 1ynn s PRO 982 Cb -0.16 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 1ynn s PRO 982 CO 0.56 -0.44 0.67 -0.06 0.04 0.00 0.00 177.00 177.78 1ynn s PHE 983 N -2.58 3.24 0.30 0.56 0.40 -0.81 -4.78 117.98 114.30 1ynn s PHE 983 Ca 0.53 0.73 -0.29 0.00 -0.60 0.00 0.00 56.93 57.30 1ynn s PHE 983 Cb -0.10 -2.99 -0.13 0.00 0.51 0.00 0.00 43.02 40.31 1ynn s PHE 983 CO 0.37 -0.44 1.28 -0.85 0.70 0.00 0.00 175.22 176.27 1ynn n GLU 984 N 5.90 1.95 -0.53 0.44 0.28 -1.26 -4.52 120.64 122.91 1ynn n GLU 984 Ca 0.00 0.69 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 1ynn n GLU 984 Cb 0.49 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.10 1ynn n GLU 984 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ynn n GLY 985 N 1.29 -3.70 3.71 -1.84 0.00 -1.26 -5.01 105.19 98.37 1ynn n GLY 985 Ca 0.08 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1ynn n GLY 985 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ynn s PRO 986 N -2.97 1.82 -0.07 1.61 0.04 -1.26 -4.84 135.00 129.32 1ynn s PRO 986 Ca 0.00 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1ynn s PRO 986 Cb 0.00 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1ynn s PRO 986 CO 0.00 -2.08 -0.18 0.42 0.04 0.00 0.00 177.00 175.20 1ynn s ILE 987 N -2.09 2.68 0.00 0.56 -1.09 0.51 -4.77 121.20 117.01 1ynn s ILE 987 Ca 0.74 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 58.02 1ynn s ILE 987 Cb -0.29 -2.05 -0.05 0.00 -1.58 0.00 0.00 42.46 38.49 1ynn s ILE 987 CO 0.49 0.57 1.38 0.54 -1.23 0.00 0.00 174.94 176.68 1ynn s VAL 988 N -0.26 3.75 0.02 2.92 0.11 -1.26 -1.26 120.40 124.42 1ynn s VAL 988 Ca 0.01 1.14 0.02 0.00 -2.93 0.00 0.00 61.98 60.21 1ynn s VAL 988 Cb -0.13 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 1ynn s VAL 988 CO 0.03 0.00 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.04 1ynn s VAL 989 N 2.30 0.51 0.00 2.04 1.01 -1.19 -2.41 120.40 122.66 1ynn s VAL 989 Ca 0.63 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1ynn s VAL 989 Cb -0.31 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1ynn s VAL 989 CO 0.26 -0.17 0.34 0.61 0.00 0.00 0.00 175.10 176.15 1ynn n GLY 990 N 2.08 0.63 3.75 4.51 0.00 -0.96 -4.56 105.19 110.64 1ynn n GLY 990 Ca -0.19 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1ynn n GLY 990 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ynn s GLN 991 N -2.01 4.17 -0.03 1.61 -0.21 -1.05 0.69 119.66 122.84 1ynn s GLN 991 Ca 0.08 0.16 0.02 0.00 0.02 0.00 0.00 55.36 55.64 1ynn s GLN 991 Cb -0.00 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.63 1ynn s GLN 991 CO 0.00 0.32 -0.06 1.41 -2.12 0.00 0.00 175.29 174.84 1ynn s MET 992 N 0.21 0.78 -0.13 2.91 1.75 0.68 -4.30 119.30 121.19 1ynn s MET 992 Ca 0.18 -0.20 -0.29 0.00 -1.25 0.00 0.00 55.69 54.13 1ynn s MET 992 Cb -0.14 -0.75 -0.02 0.00 2.84 0.00 0.00 34.83 36.76 1ynn s MET 992 CO 0.06 0.04 1.21 0.12 -0.65 0.00 0.00 175.02 175.79 1ynn s PHE 993 N 0.40 3.04 0.05 4.11 5.99 -1.26 -2.06 117.98 128.24 1ynn s PHE 993 Ca -0.05 1.15 0.04 0.00 0.00 0.00 0.00 56.93 58.06 1ynn s PHE 993 Cb -0.09 -3.44 -0.02 0.00 0.00 0.00 0.00 43.02 39.46 1ynn s PHE 993 CO 0.00 -1.39 -0.11 0.42 -0.00 0.00 0.00 175.22 174.14 1ynn s ILE 994 N 2.97 0.83 0.11 3.12 1.01 -0.09 -4.46 121.20 124.69 1ynn s ILE 994 Ca 0.54 -1.12 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1ynn s ILE 994 Cb -0.22 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1ynn s ILE 994 CO 0.16 -0.25 -0.16 -0.04 0.00 0.00 0.00 174.94 174.66 1ynn s MET 995 N -1.52 1.89 -0.12 2.79 -1.94 0.34 -0.72 119.30 120.02 1ynn s MET 995 Ca -0.05 -1.13 -0.13 0.00 -1.71 0.00 0.00 55.69 52.67 1ynn s MET 995 Cb -0.09 -2.17 -0.05 0.00 2.01 0.00 0.00 34.83 34.53 1ynn s MET 995 CO 0.01 0.49 0.31 0.21 -0.01 0.00 0.00 175.02 176.03 1ynn s LYS 996 N -2.11 4.07 0.38 2.03 2.20 -1.26 -1.68 119.74 123.36 1ynn s LYS 996 Ca 0.19 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 1ynn s LYS 996 Cb -0.11 -3.35 0.07 0.00 -1.51 0.00 0.00 37.83 32.94 1ynn s LYS 996 CO 0.11 0.41 0.52 1.28 -0.36 0.00 0.00 175.35 177.31 1ynn n LEU 997 N 2.96 0.00 -0.12 5.43 4.77 -0.96 -2.22 117.00 126.86 1ynn n LEU 997 Ca -0.13 -1.21 -0.10 0.00 -0.03 0.00 0.00 56.01 54.54 1ynn n LEU 997 Cb 0.52 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1ynn n LEU 997 CO 0.38 -0.73 0.86 0.22 -1.33 0.00 0.00 177.39 176.79 1ynn h TYR 998 N -0.36 0.61 -3.38 -1.77 3.20 -0.94 -3.40 116.97 110.93 1ynn h TYR 998 Ca -0.17 -0.07 -0.55 0.00 3.14 0.00 0.00 58.73 61.08 1ynn h TYR 998 Cb 0.67 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1ynn h TYR 998 CO 0.00 0.60 0.27 -1.01 -1.64 0.00 0.00 178.16 176.38 1ynn s HIS 999 N -5.33 3.60 0.10 -3.82 0.09 -1.26 -5.00 115.29 103.67 1ynn s HIS 999 Ca -0.13 1.49 0.06 0.00 -0.00 0.00 0.00 55.06 56.48 1ynn s HIS 999 Cb 0.09 -2.99 -0.03 0.00 -0.00 0.00 0.00 32.58 29.65 1ynn s HIS 999 CO 0.76 -0.00 -0.16 -1.64 -0.00 0.00 0.00 174.74 173.70 1ynn s MET 1000N 1.07 0.97 0.45 1.40 -1.94 -1.26 -4.12 119.30 115.87 1ynn s MET 1000Ca 0.45 -1.12 0.12 0.00 -1.71 0.00 0.00 55.69 53.44 1ynn s MET 1000Cb -0.19 -0.99 1.03 0.00 2.01 0.00 0.00 34.83 36.69 1ynn s MET 1000CO 0.22 0.21 2.06 -0.39 -0.01 0.00 0.00 175.02 177.11 1ynn h VAL 1001N 3.93 1.08 -0.46 -6.03 -1.51 -1.90 -2.13 116.25 109.24 1ynn h VAL 1001Ca -0.42 -0.29 0.09 0.00 -1.23 0.00 0.00 66.70 64.85 1ynn h VAL 1001Cb 1.19 0.96 -0.08 0.00 -2.13 0.00 0.00 31.29 31.22 1ynn h VAL 1001CO 0.44 0.10 -0.09 -0.08 -1.23 0.00 0.00 177.57 176.71 1ynn h GLU 1002N 0.19 0.02 0.00 5.19 4.57 -1.95 -2.34 114.58 120.26 1ynn h GLU 1002Ca 0.05 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1ynn h GLU 1002Cb 0.10 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1ynn h GLU 1002CO -0.00 0.01 -0.13 -0.44 -1.18 0.00 0.00 179.01 177.27 1ynn h ASP 1003N 0.02 0.00 -2.26 1.04 3.32 -1.82 -3.45 116.42 113.27 1ynn h ASP 1003Ca 0.22 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.82 1ynn h ASP 1003Cb 0.34 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.95 1ynn h ASP 1003CO -0.45 0.13 0.00 -0.54 -1.72 0.00 0.00 179.24 176.66 1ynn s LYS 1004N -3.22 2.25 0.00 3.56 -0.14 -0.88 -5.03 119.74 116.28 1ynn s LYS 1004Ca 0.05 -0.96 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 1ynn s LYS 1004Cb 0.06 -2.45 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 1ynn s LYS 1004CO 0.67 -0.96 0.00 0.00 -0.76 0.00 0.00 175.35 174.31 1ynn n MET 1005N -2.49 0.00 -4.02 1.68 0.00 -1.26 -4.86 117.12 106.17 1ynn n MET 1005Ca 0.11 0.35 -0.08 0.00 0.00 0.00 0.00 57.70 58.08 1ynn n MET 1005Cb 0.60 -0.13 -0.09 0.00 0.00 0.00 0.00 33.22 33.60 1ynn n MET 1005CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1ynn s HIS 1006N 0.00 0.40 -0.05 3.17 0.09 -1.26 -5.07 115.29 112.57 1ynn s HIS 1006Ca 0.00 -0.90 0.01 0.00 -0.00 0.00 0.00 55.06 54.17 1ynn s HIS 1006Cb 0.00 -0.28 0.02 0.00 -0.00 0.00 0.00 32.58 32.32 1ynn s HIS 1006CO 0.00 -0.42 -0.06 0.00 -0.00 0.00 0.00 174.74 174.26 1ynn s ALA 1007N -3.81 0.78 0.03 -1.40 0.00 -1.26 -5.07 121.76 111.02 1ynn s ALA 1007Ca 0.06 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 51.97 1ynn s ALA 1007Cb 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1ynn s ALA 1007CO -0.10 0.01 -0.21 0.50 0.00 0.00 0.00 175.76 175.96 1ynn s ARG 1008N 0.86 1.48 0.00 0.00 3.52 -1.26 -4.55 118.95 119.00 1ynn s ARG 1008Ca -0.12 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.58 1ynn s ARG 1008Cb -0.15 -1.56 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 1ynn s ARG 1008CO 0.01 0.41 0.00 -1.13 -0.81 0.00 0.00 175.30 173.77 1ynn n SER 1009N 2.03 2.98 -3.61 -2.12 3.41 -1.26 -5.03 113.62 110.02 1ynn n SER 1009Ca -0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 1ynn n SER 1009Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1ynn n SER 1009CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ynn s THR 1010N -1.78 0.00 -1.06 6.66 -4.23 -1.26 -5.16 115.64 108.81 1ynn s THR 1010Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1ynn s THR 1010Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1ynn s THR 1010CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1ynn n GLY 1011N 1.37 -0.60 3.62 3.99 0.00 -1.26 -4.95 105.19 107.36 1ynn n GLY 1011Ca -0.11 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1ynn n GLY 1011CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ynn s PRO 1012N -0.42 3.67 0.17 1.61 0.02 -1.26 -4.99 135.00 133.80 1ynn s PRO 1012Ca 0.00 1.41 -0.13 0.00 0.02 0.00 0.00 61.00 62.30 1ynn s PRO 1012Cb 0.00 -4.05 -0.07 0.00 0.02 0.00 0.00 34.50 30.40 1ynn s PRO 1012CO 0.00 -1.44 0.55 0.71 -0.33 0.00 0.00 177.00 176.48 1ynn s TYR 1013N 5.49 3.55 0.51 6.54 1.51 -1.26 -3.02 117.35 130.67 1ynn s TYR 1013Ca 0.69 1.00 -0.20 0.00 -1.01 0.00 0.00 57.07 57.55 1ynn s TYR 1013Cb -0.21 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.24 1ynn s TYR 1013CO 0.30 0.38 1.12 0.45 -1.11 0.00 0.00 175.55 176.70 1ynn s SER 1014N -1.90 5.93 0.06 2.29 0.15 -0.82 -4.88 113.70 114.53 1ynn s SER 1014Ca 0.40 2.17 0.25 0.00 0.70 0.00 0.00 55.95 59.47 1ynn s SER 1014Cb -0.14 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 62.00 1ynn s SER 1014CO 0.20 -1.07 1.36 0.18 1.20 0.00 0.00 173.24 175.10 1ynn n LEU 1015N -1.03 0.59 0.00 3.45 4.32 -1.26 -2.20 117.00 120.86 1ynn n LEU 1015Ca 0.10 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1ynn n LEU 1015Cb 0.50 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1ynn n LEU 1015CO 0.43 0.02 0.00 -0.38 -1.22 0.00 0.00 177.39 176.24 1ynn n ILE 1016N -1.84 0.00 0.09 -0.08 2.08 -1.26 -4.76 119.36 113.59 1ynn n ILE 1016Ca 0.04 0.21 -0.07 0.00 0.56 0.00 0.00 62.75 63.48 1ynn n ILE 1016Cb 0.40 -0.74 -0.02 0.00 -0.75 0.00 0.00 39.64 38.52 1ynn n ILE 1016CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1ynn h THR 1017N 0.00 1.56 0.00 1.39 1.35 -1.99 -3.47 112.91 111.74 1ynn h THR 1017Ca 0.00 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 1ynn h THR 1017Cb 0.00 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1ynn h THR 1017CO 0.00 0.81 0.00 1.67 -0.25 0.00 0.00 175.52 177.75 1ynn n GLN 1018N -3.58 0.00 -4.07 4.72 -0.06 -0.94 -4.93 117.38 108.52 1ynn n GLN 1018Ca -0.02 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.76 1ynn n GLN 1018Cb 0.83 -2.43 -0.05 0.00 -4.06 0.00 0.00 30.24 24.53 1ynn n GLN 1018CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1ynn s GLN 1019N -0.18 2.68 -0.16 3.69 -2.07 -1.26 -3.75 119.66 118.61 1ynn s GLN 1019Ca 0.00 -1.25 -0.29 0.00 -1.82 0.00 0.00 55.36 52.00 1ynn s GLN 1019Cb 0.00 -2.41 -0.05 0.00 -1.09 0.00 0.00 33.01 29.45 1ynn s GLN 1019CO 0.00 0.28 2.03 -1.25 -1.32 0.00 0.00 175.29 175.03 1ynn s PRO 1020N -3.85 3.51 -0.14 9.60 0.04 -1.26 -1.95 135.00 140.96 1ynn s PRO 1020Ca 0.35 2.09 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 1ynn s PRO 1020Cb -0.06 -4.26 0.13 0.00 0.04 0.00 0.00 34.50 30.35 1ynn s PRO 1020CO 0.24 -1.66 1.04 -0.51 0.04 0.00 0.00 177.00 176.14 1ynn s LEU 1021N 6.73 -0.30 0.00 -3.56 1.43 -1.17 -4.27 118.68 117.54 1ynn s LEU 1021Ca 0.92 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1ynn s LEU 1021Cb -0.34 1.75 0.00 0.00 0.03 0.00 0.00 46.19 47.64 1ynn s LEU 1021CO 0.36 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ynn n GLY 1022N 0.31 -0.55 2.37 -3.19 0.00 -1.26 -3.87 105.19 99.00 1ynn n GLY 1022Ca -0.07 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 1ynn n GLY 1022CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynn n GLY 1023N 1.02 2.17 0.19 -0.02 0.00 -1.26 -4.17 105.19 103.12 1ynn n GLY 1023Ca 0.00 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.79 1ynn n GLY 1023CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ynn h LYS 1024N 5.42 0.00 0.00 1.61 1.57 -1.94 -3.38 116.57 119.86 1ynn h LYS 1024Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1ynn h LYS 1024Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1ynn h LYS 1024CO 0.38 0.25 -0.90 0.00 -0.57 0.00 0.00 179.45 178.60 1ynn n ALA 1025N -2.17 1.97 -2.40 3.86 0.00 -1.26 -4.98 120.51 115.53 1ynn n ALA 1025Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1ynn n ALA 1025Cb 0.61 0.39 -0.09 0.00 0.00 0.00 0.00 19.45 20.36 1ynn n ALA 1025CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ynn s GLN 1026N -1.90 1.74 0.29 0.00 1.11 -1.26 -4.71 119.66 114.93 1ynn s GLN 1026Ca 0.00 -2.02 -0.05 0.00 0.01 0.00 0.00 55.36 53.30 1ynn s GLN 1026Cb 0.00 -0.29 0.07 0.00 -1.01 0.00 0.00 33.01 31.79 1ynn s GLN 1026CO 0.00 -0.47 0.30 1.19 0.01 0.00 0.00 175.29 176.32 1ynn n PHE 1027N -0.72 -3.46 -4.39 0.91 3.72 -1.26 -4.16 117.46 108.11 1ynn n PHE 1027Ca -0.01 -0.27 -0.27 0.00 -0.05 0.00 0.00 57.45 56.86 1ynn n PHE 1027Cb 0.65 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.80 1ynn n PHE 1027CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ynn s GLY 1028N -3.22 1.72 0.59 1.37 0.00 -1.26 -4.76 107.32 101.76 1ynn s GLY 1028Ca 0.18 -1.60 -0.19 0.00 0.00 0.00 0.00 44.72 43.11 1ynn s GLY 1028CO 0.14 -1.63 1.26 -0.32 0.00 0.00 0.00 173.10 172.55 1ynn s GLY 1029N -2.72 2.81 0.51 0.20 0.00 -1.26 -4.84 107.32 102.03 1ynn s GLY 1029Ca 0.22 1.13 -0.21 0.00 0.00 0.00 0.00 44.72 45.87 1ynn s GLY 1029CO 0.11 1.56 1.14 1.20 0.00 0.00 0.00 173.10 177.11 1ynn s GLN 1030N -3.23 3.50 -0.06 2.90 1.11 -1.26 -5.01 119.66 117.61 1ynn s GLN 1030Ca 0.77 1.65 -0.06 0.00 0.01 0.00 0.00 55.36 57.73 1ynn s GLN 1030Cb -0.34 -2.13 -0.04 0.00 -1.01 0.00 0.00 33.01 29.48 1ynn s GLN 1030CO 0.38 -0.74 0.19 -0.98 0.01 0.00 0.00 175.29 174.15 1ynn s ARG 1031N -3.10 3.49 -0.47 2.91 1.04 -1.26 -5.07 118.95 116.50 1ynn s ARG 1031Ca 0.70 -0.14 -0.14 0.00 -1.04 0.00 0.00 55.73 55.10 1ynn s ARG 1031Cb -0.25 -3.14 0.08 0.00 -2.04 0.00 0.00 34.95 29.60 1ynn s ARG 1031CO 0.29 0.72 0.38 0.12 -0.04 0.00 0.00 175.30 176.77 1ynn s PHE 1032N -1.17 3.27 0.81 5.89 5.36 -1.26 -5.08 117.98 125.81 1ynn s PHE 1032Ca 0.21 -1.10 -0.11 0.00 -0.96 0.00 0.00 56.93 54.98 1ynn s PHE 1032Cb -0.13 -3.21 0.11 0.00 -0.34 0.00 0.00 43.02 39.45 1ynn s PHE 1032CO 0.11 -0.83 1.16 0.20 -1.46 0.00 0.00 175.22 174.40 1ynn s GLY 1033N 2.62 1.67 0.40 13.12 0.00 -1.26 -4.92 107.32 118.95 1ynn s GLY 1033Ca 0.04 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.94 1ynn s GLY 1033CO 0.05 -0.36 2.01 1.05 0.00 0.00 0.00 173.10 175.85 1ynn h GLU 1034N -1.05 0.56 -0.06 2.90 4.11 -2.00 -2.01 114.58 117.04 1ynn h GLU 1034Ca -0.45 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 58.83 1ynn h GLU 1034Cb 1.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ynn h GLU 1034CO 0.57 0.37 -0.49 0.52 0.07 0.00 0.00 179.01 180.05 1ynn h MET 1035N 0.58 0.14 0.00 1.06 2.86 -2.00 -1.66 114.93 115.91 1ynn h MET 1035Ca 0.23 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1ynn h MET 1035Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1ynn h MET 1035CO -0.06 0.60 -0.40 0.93 1.06 0.00 0.00 176.91 179.04 1ynn h GLU 1036N 0.12 0.00 -0.00 1.72 3.07 -1.74 -2.74 114.58 115.00 1ynn h GLU 1036Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ynn h GLU 1036Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1ynn h GLU 1036CO 0.07 0.40 -0.00 0.28 -1.40 0.00 0.00 179.01 178.36 1ynn h VAL 1037N 0.00 1.49 -0.70 3.13 2.07 -0.98 -2.28 116.25 118.98 1ynn h VAL 1037Ca -0.00 -1.44 0.14 0.00 0.82 0.00 0.00 66.70 66.22 1ynn h VAL 1037Cb 0.94 2.46 -0.10 0.00 -1.52 0.00 0.00 31.29 33.08 1ynn h VAL 1037CO 0.05 0.37 0.18 -0.50 0.02 0.00 0.00 177.57 177.70 1ynn h TRP 1038N -0.61 0.29 -0.74 1.57 6.55 -1.31 0.17 115.95 121.87 1ynn h TRP 1038Ca -0.00 0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.88 1ynn h TRP 1038Cb 0.61 -0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.86 1ynn h TRP 1038CO 0.14 -0.05 0.44 0.00 -1.05 0.00 0.00 178.44 177.92 1ynn h ALA 1039N 1.56 0.94 -0.57 1.49 0.00 -1.41 0.31 119.26 121.58 1ynn h ALA 1039Ca 0.39 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1ynn h ALA 1039Cb 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ynn h ALA 1039CO -0.46 0.41 0.04 -0.07 0.00 0.00 0.00 179.25 179.17 1ynn h LEU 1040N 1.01 0.95 -0.85 0.00 -0.00 -0.71 0.17 115.31 115.87 1ynn h LEU 1040Ca 0.26 -0.29 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 1ynn h LEU 1040Cb -0.03 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.32 1ynn h LEU 1040CO -0.05 1.00 0.53 -0.33 -0.00 0.00 0.00 178.44 179.60 1ynn h GLU 1041N 0.87 0.96 -0.09 1.13 5.08 -0.44 -2.86 114.58 119.23 1ynn h GLU 1041Ca 0.17 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1ynn h GLU 1041Cb 0.49 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1ynn h GLU 1041CO 0.02 0.64 -0.62 0.00 -1.00 0.00 0.00 179.01 178.05 1ynn h ALA 1042N 1.39 0.78 -3.31 3.43 0.00 0.73 -3.40 119.26 118.87 1ynn h ALA 1042Ca 0.36 -0.55 -0.34 0.00 0.00 0.00 0.00 54.91 54.38 1ynn h ALA 1042Cb 0.13 -0.08 0.17 0.00 0.00 0.00 0.00 17.79 18.01 1ynn h ALA 1042CO -0.16 0.73 0.08 0.66 0.00 0.00 0.00 179.25 180.56 1ynn n TYR 1043N -3.88 -3.75 -1.24 0.00 4.02 0.48 -4.97 117.16 107.82 1ynn n TYR 1043Ca -0.03 -0.84 -0.27 0.00 -0.01 0.00 0.00 57.90 56.75 1ynn n TYR 1043Cb 0.63 -0.99 0.14 0.00 -0.02 0.00 0.00 39.34 39.11 1ynn n TYR 1043CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ynn n GLY 1044N -3.86 4.91 0.89 2.72 0.00 -1.26 -4.84 105.19 103.75 1ynn n GLY 1044Ca 0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.67 1ynn n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynn n ALA 1045N -1.05 2.76 0.00 4.61 0.00 -1.10 -4.76 120.51 120.98 1ynn n ALA 1045Ca 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ynn n ALA 1045Cb 1.33 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1ynn n ALA 1045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ynn n ALA 1046N 0.18 0.00 -0.04 0.00 0.00 -1.26 -0.14 120.51 119.25 1ynn n ALA 1046Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1ynn n ALA 1046Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 1ynn n ALA 1046CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ynn h HIS 1047N 0.00 0.32 -0.94 0.00 3.86 -1.98 -0.84 115.15 115.56 1ynn h HIS 1047Ca 0.00 -0.11 0.17 0.00 -1.16 0.00 0.00 60.37 59.27 1ynn h HIS 1047Cb 0.00 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 28.33 1ynn h HIS 1047CO 0.00 0.76 0.60 1.15 0.86 0.00 0.00 177.93 181.29 1ynn h THR 1048N -0.21 0.77 0.10 2.45 2.02 -0.94 0.85 112.91 117.96 1ynn h THR 1048Ca 0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1ynn h THR 1048Cb 0.73 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1ynn h THR 1048CO 0.04 0.12 -0.05 0.25 0.37 0.00 0.00 175.52 176.25 1ynn h LEU 1049N 0.68 -0.12 -0.66 2.58 5.85 -1.19 -3.09 115.31 119.35 1ynn h LEU 1049Ca 0.50 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1ynn h LEU 1049Cb 0.86 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1ynn h LEU 1049CO -0.25 0.33 0.30 -0.61 -0.34 0.00 0.00 178.44 177.86 1ynn h GLN 1050N -0.59 0.50 -0.51 1.25 4.15 0.79 -1.61 115.11 119.09 1ynn h GLN 1050Ca -0.01 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.47 1ynn h GLN 1050Cb 0.48 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.97 1ynn h GLN 1050CO 0.02 0.33 -0.01 0.93 -1.93 0.00 0.00 178.83 178.18 1ynn h GLU 1051N 0.51 0.10 0.00 1.69 5.08 0.46 -0.24 114.58 122.19 1ynn h GLU 1051Ca 0.33 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1ynn h GLU 1051Cb 0.36 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ynn h GLU 1051CO -0.28 0.07 0.00 -0.12 -1.00 0.00 0.00 179.01 177.68 1ynn n MET 1052N -5.24 0.05 0.00 2.33 1.56 -0.62 -2.45 117.12 112.74 1ynn n MET 1052Ca 0.06 0.48 0.03 0.00 -0.27 0.00 0.00 57.70 58.00 1ynn n MET 1052Cb 0.28 -1.64 -0.02 0.00 2.15 0.00 0.00 33.22 33.98 1ynn n MET 1052CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1ynn n LEU 1053N -1.75 0.50 0.00 -0.89 4.32 -0.18 -4.70 117.00 114.31 1ynn n LEU 1053Ca 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 1ynn n LEU 1053Cb 0.06 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1ynn n LEU 1053CO 0.06 0.11 0.00 0.35 -1.22 0.00 0.00 177.39 176.70 1ynn n THR 1054N -0.89 0.00 0.49 -5.08 -2.24 -0.72 -4.72 114.28 101.11 1ynn n THR 1054Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1ynn n THR 1054Cb 0.11 -0.13 0.14 0.00 -2.10 0.00 0.00 70.33 68.35 1ynn n THR 1054CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1ynn n ILE 1055N -0.34 0.00 -0.04 2.28 -5.35 -1.18 -2.01 119.36 112.72 1ynn n ILE 1055Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ynn n ILE 1055Cb 0.00 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 1ynn n ILE 1055CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ynn n LYS 1056N -0.80 0.86 0.00 6.28 5.02 -1.12 -4.37 118.16 124.03 1ynn n LYS 1056Ca 0.04 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 1ynn n LYS 1056Cb 0.02 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1ynn n LYS 1056CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ynn n SER 1057N -0.23 0.00 -0.77 4.39 2.88 -0.85 -4.80 113.62 114.24 1ynn n SER 1057Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1ynn n SER 1057Cb 0.13 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.77 1ynn n SER 1057CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ynn n ASP 1058N 0.00 2.48 -2.60 -3.46 3.85 -1.25 -4.43 116.55 111.14 1ynn n ASP 1058Ca 0.00 -1.78 -0.25 0.00 -0.71 0.00 0.00 54.79 52.05 1ynn n ASP 1058Cb 0.00 0.08 -0.10 0.00 -1.35 0.00 0.00 41.12 39.75 1ynn n ASP 1058CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1ynn n ASP 1059N 0.83 6.80 -0.09 -1.12 -0.08 -1.14 -4.80 116.55 116.95 1ynn n ASP 1059Ca 0.14 -2.59 -0.01 0.00 -1.51 0.00 0.00 54.79 50.82 1ynn n ASP 1059Cb 0.52 -1.46 -0.01 0.00 2.34 0.00 0.00 41.12 42.52 1ynn n ASP 1059CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1ynn n ILE 1060N 2.77 -0.14 0.06 5.18 5.41 -1.26 -0.13 119.36 131.25 1ynn n ILE 1060Ca 0.58 0.55 -0.13 0.00 1.00 0.00 0.00 62.75 64.75 1ynn n ILE 1060Cb 0.60 -0.70 -0.08 0.00 -0.71 0.00 0.00 39.64 38.75 1ynn n ILE 1060CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1ynn h GLU 1061N 0.00 -0.55 0.00 0.38 4.22 -1.99 0.37 114.58 117.01 1ynn h GLU 1061Ca 0.06 0.04 -0.15 0.00 0.08 0.00 0.00 59.36 59.39 1ynn h GLU 1061Cb 0.12 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1ynn h GLU 1061CO -0.22 -0.37 -0.70 0.78 -2.18 0.00 0.00 179.01 176.32 1ynn h GLY 1062N -0.57 0.00 0.23 1.92 0.00 -0.93 -1.09 103.07 102.63 1ynn h GLY 1062Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1ynn h GLY 1062CO -0.28 0.00 -0.01 -0.09 0.00 0.00 0.00 176.54 176.16 1ynn h ARG 1063N 0.00 0.10 -0.19 4.80 2.43 -0.33 0.12 114.38 121.31 1ynn h ARG 1063Ca -0.01 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1ynn h ARG 1063Cb 1.33 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1ynn h ARG 1063CO 0.09 0.06 -0.65 -0.91 -1.51 0.00 0.00 179.97 177.06 1ynn h ASN 1064N 0.10 0.79 -0.81 -3.80 2.35 -0.64 -2.94 115.58 110.63 1ynn h ASN 1064Ca 0.23 -0.46 0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1ynn h ASN 1064Cb 0.34 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1ynn h ASN 1064CO -0.39 1.23 0.53 0.00 -1.65 0.00 0.00 177.43 177.15 1ynn h ALA 1065N 0.77 1.59 0.40 -0.83 0.00 -0.81 0.29 119.26 120.66 1ynn h ALA 1065Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ynn h ALA 1065Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ynn h ALA 1065CO 0.13 0.30 -0.28 0.00 0.00 0.00 0.00 179.25 179.40 1ynn h ALA 1066N 1.55 -1.07 -0.33 0.00 0.00 -0.68 -0.77 119.26 117.96 1ynn h ALA 1066Ca 0.34 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1ynn h ALA 1066Cb 0.18 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1ynn h ALA 1066CO -0.12 -1.06 -0.08 -0.92 0.00 0.00 0.00 179.25 177.07 1ynn h TYR 1067N -0.65 -0.17 -0.08 0.00 3.20 -1.28 -1.57 116.97 116.42 1ynn h TYR 1067Ca -0.05 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1ynn h TYR 1067Cb 0.53 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.88 1ynn h TYR 1067CO -0.06 -0.14 -0.27 0.37 -1.64 0.00 0.00 178.16 176.42 1ynn h GLN 1068N 0.00 -0.35 -0.42 1.82 -0.00 -1.01 -2.16 115.11 113.00 1ynn h GLN 1068Ca 0.16 0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.92 1ynn h GLN 1068Cb 0.24 0.08 -0.09 0.00 0.00 0.00 0.00 27.48 27.71 1ynn h GLN 1068CO -0.34 -0.23 -0.27 0.00 0.00 0.00 0.00 178.83 177.99 1ynn h ALA 1069N 0.51 -0.04 -0.52 3.38 0.00 -0.18 -2.05 119.26 120.35 1ynn h ALA 1069Ca 0.09 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ynn h ALA 1069Cb 0.49 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ynn h ALA 1069CO -0.29 -0.65 0.08 0.82 0.00 0.00 0.00 179.25 179.22 1ynn h ILE 1070N -0.19 1.25 -0.96 0.00 2.04 -1.25 0.45 117.51 118.84 1ynn h ILE 1070Ca 0.19 -0.94 0.22 0.00 1.00 0.00 0.00 64.86 65.33 1ynn h ILE 1070Cb 0.50 0.86 -0.12 0.00 -0.74 0.00 0.00 36.82 37.33 1ynn h ILE 1070CO -0.53 0.34 0.53 0.40 0.00 0.00 0.00 178.15 178.89 1ynn h ILE 1071N 0.74 0.56 0.20 -0.67 5.03 -0.84 -0.70 117.51 121.82 1ynn h ILE 1071Ca 0.16 -0.19 -0.32 0.00 -0.12 0.00 0.00 64.86 64.38 1ynn h ILE 1071Cb 0.40 -0.05 0.03 0.00 -3.03 0.00 0.00 36.82 34.18 1ynn h ILE 1071CO 0.01 0.10 -1.39 0.50 -0.68 0.00 0.00 178.15 176.69 1ynn h LYS 1072N 0.56 0.57 -0.33 2.37 3.64 -0.68 -3.48 116.57 119.22 1ynn h LYS 1072Ca 0.60 -0.88 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1ynn h LYS 1072Cb 1.09 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1ynn h LYS 1072CO -0.47 1.41 0.00 0.41 -2.27 0.00 0.00 179.45 178.54 1ynn n GLY 1073N 1.58 0.56 3.35 5.01 0.00 0.13 -5.11 105.19 110.72 1ynn n GLY 1073Ca -0.15 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1ynn n GLY 1073CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ynn s GLU 1074N -0.17 1.54 -0.25 1.61 2.02 0.20 -4.99 118.70 118.66 1ynn s GLU 1074Ca 0.00 -1.20 -0.02 0.00 0.02 0.00 0.00 54.97 53.77 1ynn s GLU 1074Cb 0.00 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 1ynn s GLU 1074CO 0.00 0.46 1.49 -0.40 0.02 0.00 0.00 175.26 176.83 1ynn n ASP 1075N 1.36 2.05 0.00 -0.19 5.75 -1.26 -4.17 116.55 120.10 1ynn n ASP 1075Ca -0.18 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1ynn n ASP 1075Cb 0.53 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1ynn n ASP 1075CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ynn n VAL 1076N 3.76 0.00 0.00 2.12 0.31 -1.26 -4.78 118.33 118.48 1ynn n VAL 1076Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1ynn n VAL 1076Cb 0.16 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1ynn n VAL 1076CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ynn n PRO 1077N 0.00 0.00 -0.44 5.55 -0.04 -1.26 -4.97 135.00 133.84 1ynn n PRO 1077Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ynn n PRO 1077Cb 0.00 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.15 1ynn n PRO 1077CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ynn n GLU 1078N -2.13 0.00 -1.55 0.54 1.02 -1.26 -5.00 120.64 112.26 1ynn n GLU 1078Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1ynn n GLU 1078Cb 0.00 -0.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.86 1ynn n GLU 1078CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1ynn n PRO 1079N -0.37 0.50 0.10 3.49 -0.04 -1.26 -4.81 135.00 132.61 1ynn n PRO 1079Ca 0.00 -0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 62.51 1ynn n PRO 1079Cb 0.14 -3.49 -0.07 0.00 -0.04 0.00 0.00 33.50 30.04 1ynn n PRO 1079CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ynn h SER 1080N 12.52 -1.15 -3.32 3.54 4.64 -2.04 -3.35 113.55 124.39 1ynn h SER 1080Ca 0.00 0.13 -0.66 0.00 -0.47 0.00 0.00 61.79 60.80 1ynn h SER 1080Cb 1.01 0.44 -0.29 0.00 -0.31 0.00 0.00 62.40 63.25 1ynn h SER 1080CO 1.05 -0.46 -0.75 -0.69 -0.87 0.00 0.00 176.83 175.11 1ynn s VAL 1081N -5.94 3.08 0.10 0.95 1.01 -1.26 -5.09 120.40 113.24 1ynn s VAL 1081Ca -0.16 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 1ynn s VAL 1081Cb 0.08 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 1ynn s VAL 1081CO 0.64 0.46 1.43 -2.84 0.00 0.00 0.00 175.10 174.79 1ynn s PRO 1082N 1.29 4.29 0.23 2.72 0.02 -1.26 -4.92 135.00 137.37 1ynn s PRO 1082Ca 0.03 2.11 -0.18 0.00 0.02 0.00 0.00 61.00 62.99 1ynn s PRO 1082Cb -0.14 -3.32 0.23 0.00 0.02 0.00 0.00 34.50 31.29 1ynn s PRO 1082CO -0.04 -0.50 1.56 0.93 -0.33 0.00 0.00 177.00 178.61 1ynn h GLU 1083N 7.09 -0.02 0.00 5.54 5.08 -1.94 0.06 114.58 130.38 1ynn h GLU 1083Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1ynn h GLU 1083Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ynn h GLU 1083CO 0.88 -0.01 0.18 0.66 -1.00 0.00 0.00 179.01 179.72 1ynn h SER 1084N -0.02 0.00 0.01 1.42 4.64 -1.92 0.36 113.55 118.04 1ynn h SER 1084Ca 0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 1ynn h SER 1084Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1ynn h SER 1084CO -0.95 0.00 -0.11 0.15 -0.87 0.00 0.00 176.83 175.05 1ynn h PHE 1085N 0.00 0.10 -0.90 4.77 3.57 -1.36 -3.01 116.94 120.11 1ynn h PHE 1085Ca 0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ynn h PHE 1085Cb 0.37 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1ynn h PHE 1085CO 0.00 0.90 0.55 0.00 -2.23 0.00 0.00 178.31 177.54 1ynn h ARG 1086N -0.74 1.21 0.00 1.11 2.47 -0.36 -1.15 114.38 116.92 1ynn h ARG 1086Ca -0.02 -0.10 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 1ynn h ARG 1086Cb 0.94 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1ynn h ARG 1086CO 0.02 0.83 -0.39 0.28 0.56 0.00 0.00 179.97 181.27 1ynn h VAL 1087N 1.23 1.21 0.43 2.04 2.07 -1.23 -2.74 116.25 119.26 1ynn h VAL 1087Ca 0.32 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1ynn h VAL 1087Cb -0.07 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ynn h VAL 1087CO -0.06 0.38 -0.21 0.25 0.02 0.00 0.00 177.57 177.95 1ynn h LEU 1088N 0.00 -0.49 -0.81 2.57 5.85 -1.11 -2.70 115.31 118.61 1ynn h LEU 1088Ca -0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1ynn h LEU 1088Cb 0.72 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.74 1ynn h LEU 1088CO 0.05 -0.07 -0.32 0.52 -0.34 0.00 0.00 178.44 178.28 1ynn n VAL 1089N -5.10 -0.43 0.07 1.05 0.31 -0.57 -2.58 118.33 111.08 1ynn n VAL 1089Ca -0.07 1.90 -0.12 0.00 -0.01 0.00 0.00 64.34 66.04 1ynn n VAL 1089Cb 0.23 -2.51 -0.08 0.00 -0.91 0.00 0.00 33.84 30.57 1ynn n VAL 1089CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ynn h LYS 1090N 0.00 -0.21 -1.23 5.55 1.79 -1.55 -2.48 116.57 118.44 1ynn h LYS 1090Ca 0.28 0.01 0.35 0.00 -2.18 0.00 0.00 60.65 59.12 1ynn h LYS 1090Cb 0.48 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.12 1ynn h LYS 1090CO -0.80 0.21 0.87 0.93 -1.08 0.00 0.00 179.45 179.57 1ynn h GLU 1091N -0.75 0.05 -0.08 3.15 5.08 -1.20 0.23 114.58 121.05 1ynn h GLU 1091Ca -0.02 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1ynn h GLU 1091Cb 0.52 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ynn h GLU 1091CO 0.04 0.03 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.89 1ynn h LEU 1092N 0.05 0.25 -0.87 1.33 3.38 -1.26 -3.27 115.31 114.93 1ynn h LEU 1092Ca 0.60 -0.53 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1ynn h LEU 1092Cb 2.29 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.90 1ynn h LEU 1092CO -0.05 0.73 0.52 1.56 0.09 0.00 0.00 178.44 181.29 1ynn h GLN 1093N -0.22 0.88 0.00 1.13 4.20 -0.14 -0.45 115.11 120.52 1ynn h GLN 1093Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1ynn h GLN 1093Cb 0.68 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1ynn h GLN 1093CO 0.03 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.77 1ynn n ALA 1094N -2.36 1.76 -0.12 3.87 0.00 -0.55 0.42 120.51 123.53 1ynn n ALA 1094Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ynn n ALA 1094Cb 0.24 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ynn n ALA 1094CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ynn n LEU 1095N -0.77 1.19 0.00 0.00 7.94 -0.19 -5.09 117.00 120.08 1ynn n LEU 1095Ca 0.03 -1.19 0.00 0.00 -1.11 0.00 0.00 56.01 53.74 1ynn n LEU 1095Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1ynn n LEU 1095CO 0.02 0.30 0.00 0.00 -1.11 0.00 0.00 177.39 176.60 1ynn n ALA 1096N -0.16 0.00 -2.77 1.96 0.00 0.17 -5.07 120.51 114.64 1ynn n ALA 1096Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ynn n ALA 1096Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1ynn n ALA 1096CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ynn n LEU 1097N 0.00 -3.93 -0.26 0.00 4.77 -1.26 -3.65 117.00 112.67 1ynn n LEU 1097Ca 0.00 0.74 -0.11 0.00 -0.03 0.00 0.00 56.01 56.61 1ynn n LEU 1097Cb 0.00 -1.37 -0.08 0.00 -2.33 0.00 0.00 43.42 39.63 1ynn n LEU 1097CO 0.00 -2.23 0.51 -0.78 -1.33 0.00 0.00 177.39 173.55 1ynn h ASP 1098N 4.42 -1.91 -5.20 -1.43 1.82 -1.95 -3.37 116.42 108.80 1ynn h ASP 1098Ca 0.00 0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1ynn h ASP 1098Cb 0.19 0.82 -0.06 0.00 0.68 0.00 0.00 39.33 40.97 1ynn h ASP 1098CO 0.00 -0.33 -1.22 0.52 -1.61 0.00 0.00 179.24 176.61 1ynn n VAL 1099N -5.34-11.39 -4.22 2.25 0.31 -1.26 -4.83 118.33 93.85 1ynn n VAL 1099Ca -0.00 2.11 -0.18 0.00 -0.01 0.00 0.00 64.34 66.26 1ynn n VAL 1099Cb 0.32 -6.36 -0.15 0.00 -0.91 0.00 0.00 33.84 26.74 1ynn n VAL 1099CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ynn s GLN 1100N -1.11 0.62 0.28 5.55 -2.07 -1.26 -5.06 119.66 116.61 1ynn s GLN 1100Ca -0.13 -0.20 -0.16 0.00 -1.82 0.00 0.00 55.36 53.06 1ynn s GLN 1100Cb 0.01 -0.61 -0.09 0.00 -1.09 0.00 0.00 33.01 31.23 1ynn s GLN 1100CO 0.71 0.08 0.71 0.99 -1.32 0.00 0.00 175.29 176.46 1ynn s THR 1101N 0.16 4.68 -0.05 3.63 2.01 -1.26 -5.03 115.64 119.78 1ynn s THR 1101Ca -0.02 0.99 -0.04 0.00 0.31 0.00 0.00 61.69 62.93 1ynn s THR 1101Cb -0.06 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1ynn s THR 1101CO -0.00 -0.07 0.12 -0.76 -0.69 0.00 0.00 174.62 173.22 1ynn s LEU 1102N -2.69 1.40 0.00 4.42 1.02 -1.26 -2.19 118.68 119.38 1ynn s LEU 1102Ca 0.50 0.24 -0.04 0.00 0.02 0.00 0.00 54.13 54.85 1ynn s LEU 1102Cb -0.12 0.38 0.08 0.00 0.02 0.00 0.00 46.19 46.55 1ynn s LEU 1102CO 0.19 -0.06 0.46 -0.90 0.02 0.00 0.00 176.35 176.06 1ynn n ASP 1103N 3.26 0.17 0.10 2.29 3.85 -1.19 -4.91 116.55 120.13 1ynn n ASP 1103Ca -0.15 -1.25 -0.10 0.00 -0.71 0.00 0.00 54.79 52.58 1ynn n ASP 1103Cb 0.58 -0.34 -0.06 0.00 -1.35 0.00 0.00 41.12 39.95 1ynn n ASP 1103CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1ynn h GLU 1104N 0.00 -0.47 0.00 0.11 4.57 -2.02 -2.08 114.58 114.69 1ynn h GLU 1104Ca -0.15 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1ynn h GLU 1104Cb 0.45 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1ynn h GLU 1104CO 0.12 -0.31 0.00 0.87 -1.18 0.00 0.00 179.01 178.51 1ynn h LYS 1105N -0.48 0.00 -0.95 1.92 1.79 -2.05 -3.45 116.57 113.33 1ynn h LYS 1105Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1ynn h LYS 1105Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1ynn h LYS 1105CO -0.11 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 174.79 1ynn n ASP 1106N -2.62 -0.80 -4.06 0.86 -0.08 -0.78 -5.13 116.55 103.94 1ynn n ASP 1106Ca -0.01 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.02 1ynn n ASP 1106Cb 0.10 -0.20 -0.16 0.00 2.34 0.00 0.00 41.12 43.19 1ynn n ASP 1106CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ynn s ASN 1107N -2.03 1.80 0.10 1.67 4.22 -1.26 -4.90 114.94 114.54 1ynn s ASN 1107Ca 0.00 -0.30 -0.34 0.00 -2.14 0.00 0.00 52.86 50.09 1ynn s ASN 1107Cb 0.00 -0.65 -0.18 0.00 1.28 0.00 0.00 41.25 41.69 1ynn s ASN 1107CO 0.00 0.08 0.78 -2.65 -2.04 0.00 0.00 177.10 173.27 1ynn n PRO 1108N 3.48 0.00 -0.06 3.55 -0.02 -1.26 -3.15 135.00 137.55 1ynn n PRO 1108Ca -0.20 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.19 1ynn n PRO 1108Cb 0.53 -1.23 -0.07 0.00 -0.02 0.00 0.00 33.50 32.70 1ynn n PRO 1108CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1ynn n VAL 1109N 0.73 0.77 -0.95 -1.45 3.14 -0.93 -4.86 118.33 114.78 1ynn n VAL 1109Ca 0.19 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1ynn n VAL 1109Cb 0.16 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 1ynn n VAL 1109CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ynn n ASP 1110N -2.75 -5.43 -0.05 6.55 2.03 -1.26 -5.00 116.55 110.65 1ynn n ASP 1110Ca -0.22 0.63 0.03 0.00 0.52 0.00 0.00 54.79 55.75 1ynn n ASP 1110Cb 0.79 -2.05 -0.02 0.00 -0.72 0.00 0.00 41.12 39.11 1ynn n ASP 1110CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1ynn n ILE 1111N 0.17 0.00 0.00 5.18 -5.35 -1.26 -4.99 119.36 113.11 1ynn n ILE 1111Ca 0.00 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1ynn n ILE 1111Cb 0.00 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 1ynn n ILE 1111CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1ynn n PHE 1112N -0.89 0.00 -0.03 4.28 3.01 -1.26 -4.95 117.46 117.63 1ynn n PHE 1112Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1ynn n PHE 1112Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1ynn n PHE 1112CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1ynn n GLU 1113N 0.00 0.00 0.00 -1.08 0.00 -1.26 -5.21 120.64 113.09 1ynn n GLU 1113Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 1ynn n GLU 1113Cb 0.00 -0.14 0.69 0.00 0.00 0.00 0.00 31.44 31.99 1ynn n GLU 1113CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54