#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9k s VAL 3 N 0.00 5.05 -0.17 -3.33 1.01 -1.26 -4.65 120.40 117.05 1y9k s VAL 3 Ca 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 1y9k s VAL 3 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1y9k s VAL 3 CO 0.00 0.18 -0.09 -0.69 0.00 0.00 0.00 175.10 174.49 1y9k s VAL 4 N 1.42 3.17 -0.12 2.92 1.01 -0.40 -4.93 120.40 123.46 1y9k s VAL 4 Ca 0.31 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1y9k s VAL 4 Cb -0.16 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1y9k s VAL 4 CO 0.12 0.49 -0.08 -0.63 0.00 0.00 0.00 175.10 175.00 1y9k s ILE 5 N 0.84 3.57 0.06 2.22 1.01 -1.26 -0.42 121.20 127.22 1y9k s ILE 5 Ca -0.03 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1y9k s ILE 5 Cb -0.15 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1y9k s ILE 5 CO 0.01 0.53 0.27 -1.83 0.00 0.00 0.00 174.94 173.92 1y9k s GLU 6 N 0.06 0.83 0.44 2.79 -1.05 -0.57 -4.98 118.70 116.22 1y9k s GLU 6 Ca -0.02 -0.65 -0.24 0.00 -0.15 0.00 0.00 54.97 53.91 1y9k s GLU 6 Cb -0.14 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.83 1y9k s GLU 6 CO 0.03 -0.27 1.21 1.03 0.95 0.00 0.00 175.26 178.21 1y9k s ARG 7 N -3.01 3.82 0.11 -4.83 0.52 -1.26 -0.69 118.95 113.60 1y9k s ARG 7 Ca -0.02 1.90 0.07 0.00 -0.52 0.00 0.00 55.73 57.16 1y9k s ARG 7 Cb 0.01 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1y9k s ARG 7 CO -0.06 -0.54 -0.17 0.96 0.02 0.00 0.00 175.30 175.51 1y9k s ILE 8 N -1.44 1.46 0.62 1.52 -4.36 -0.78 -4.87 121.20 113.36 1y9k s ILE 8 Ca 0.61 -1.57 -0.16 0.00 -0.26 0.00 0.00 60.65 59.28 1y9k s ILE 8 Cb -0.32 -1.45 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 1y9k s ILE 8 CO 0.39 -0.22 1.09 -2.16 0.24 0.00 0.00 174.94 174.28 1y9k s PRO 9 N -2.16 3.07 0.60 0.37 0.04 -1.26 -4.47 135.00 131.20 1y9k s PRO 9 Ca 0.06 1.32 0.35 0.00 0.04 0.00 0.00 61.00 62.77 1y9k s PRO 9 Cb -0.08 -1.99 1.92 0.00 0.04 0.00 0.00 34.50 34.39 1y9k s PRO 9 CO 0.04 -1.02 2.23 1.57 0.04 0.00 0.00 177.00 179.85 1y9k h LYS 10 N 0.29 0.00 0.00 4.56 2.10 -1.94 -1.33 116.57 120.26 1y9k h LYS 10 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1y9k h LYS 10 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1y9k h LYS 10 CO 0.56 0.03 0.00 0.39 -2.00 0.00 0.00 179.45 178.43 1y9k n GLU 11 N -3.44 0.51 -0.20 0.07 4.71 -1.26 -3.34 120.64 117.69 1y9k n GLU 11 Ca -0.02 0.04 0.06 0.00 -0.01 0.00 0.00 57.16 57.22 1y9k n GLU 11 Cb 0.14 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.15 1y9k n GLU 11 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1y9k n ALA 12 N -1.17 2.11 -1.80 0.62 0.00 -0.50 -5.09 120.51 114.69 1y9k n ALA 12 Ca 0.14 -1.91 -0.41 0.00 0.00 0.00 0.00 53.44 51.26 1y9k n ALA 12 Cb 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 1y9k n ALA 12 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1y9k s ILE 13 N -1.71 2.33 -1.24 0.00 -4.36 -1.21 -4.91 121.20 110.10 1y9k s ILE 13 Ca 0.18 0.30 -0.20 0.00 -0.26 0.00 0.00 60.65 60.67 1y9k s ILE 13 Cb 0.16 -3.19 -0.00 0.00 1.25 0.00 0.00 42.46 40.67 1y9k s ILE 13 CO 0.02 0.06 1.83 -2.16 0.24 0.00 0.00 174.94 174.92 1y9k s PRO 14 N -1.16 3.28 0.29 0.37 0.04 -1.26 -4.75 135.00 131.81 1y9k s PRO 14 Ca 0.57 -1.59 0.04 0.00 0.04 0.00 0.00 61.00 60.06 1y9k s PRO 14 Cb -0.44 -5.40 0.72 0.00 0.04 0.00 0.00 34.50 29.42 1y9k s PRO 14 CO 0.52 -3.07 1.71 0.87 0.04 0.00 0.00 177.00 177.07 1y9k h LYS 15 N 8.63 0.46 -0.83 4.56 1.57 -1.98 -1.40 116.57 127.58 1y9k h LYS 15 Ca 0.34 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1y9k h LYS 15 Cb 0.90 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 33.00 1y9k h LYS 15 CO 1.35 0.30 -0.57 0.66 -0.57 0.00 0.00 179.45 180.63 1y9k h SER 16 N 0.47 -2.03 0.62 0.86 4.64 -2.00 0.21 113.55 116.32 1y9k h SER 16 Ca 0.56 0.30 -0.20 0.00 -0.47 0.00 0.00 61.79 61.98 1y9k h SER 16 Cb 1.02 0.88 -0.01 0.00 -0.31 0.00 0.00 62.40 63.98 1y9k h SER 16 CO -0.49 -0.27 -0.88 0.25 -0.87 0.00 0.00 176.83 174.57 1y9k h LEU 17 N -0.10 0.23 -1.65 5.97 5.85 -1.79 -3.13 115.31 120.69 1y9k h LEU 17 Ca 0.13 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1y9k h LEU 17 Cb 0.44 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1y9k h LEU 17 CO -0.83 1.00 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.03 1y9k h LEU 18 N 0.09 0.00 -0.88 2.25 3.38 -0.93 -2.34 115.31 116.89 1y9k h LEU 18 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1y9k h LEU 18 Cb 1.52 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1y9k h LEU 18 CO 0.13 0.17 0.00 -0.07 0.09 0.00 0.00 178.44 178.77 1y9k h LEU 19 N 0.00 0.00 -0.57 1.67 3.38 -0.90 -0.36 115.31 118.52 1y9k h LEU 19 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1y9k h LEU 19 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1y9k h LEU 19 CO 0.02 0.00 -0.21 0.25 0.09 0.00 0.00 178.44 178.60 1y9k h LEU 20 N 0.00 0.94 0.00 1.67 5.85 -1.49 -3.25 115.31 119.03 1y9k h LEU 20 Ca 0.00 -0.35 -0.22 0.00 0.84 0.00 0.00 57.88 58.16 1y9k h LEU 20 Cb 0.56 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1y9k h LEU 20 CO 0.00 1.11 -1.67 0.00 -0.34 0.00 0.00 178.44 177.54 1y9k n ALA 21 N -2.51 1.82 -3.59 1.25 0.00 -1.05 -4.81 120.51 111.63 1y9k n ALA 21 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 1y9k n ALA 21 Cb 0.44 -0.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 1y9k n ALA 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y9k s ASP 22 N -5.72 3.58 0.25 0.00 -1.08 -0.17 -5.01 116.67 108.52 1y9k s ASP 22 Ca -0.05 -1.32 0.17 0.00 -0.52 0.00 0.00 52.55 50.83 1y9k s ASP 22 Cb 0.08 -0.46 0.91 0.00 -1.46 0.00 0.00 42.92 42.00 1y9k s ASP 22 CO 0.82 -0.43 1.51 -2.65 0.52 0.00 0.00 175.17 174.94 1y9k n PRO 23 N 5.16 0.11 -4.28 4.34 -0.02 -1.24 -4.09 135.00 134.99 1y9k n PRO 23 Ca -0.05 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 1y9k n PRO 23 Cb 0.42 -1.87 -0.12 0.00 -0.02 0.00 0.00 33.50 31.92 1y9k n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1y9k s SER 24 N -3.79 4.85 0.33 2.55 0.15 -1.26 -4.99 113.70 111.55 1y9k s SER 24 Ca -0.02 -0.14 0.15 0.00 0.70 0.00 0.00 55.95 56.64 1y9k s SER 24 Cb 0.05 -1.80 0.56 0.00 -1.71 0.00 0.00 66.02 63.11 1y9k s SER 24 CO 0.15 0.14 1.69 -0.33 1.20 0.00 0.00 173.24 176.09 1y9k h GLU 25 N 6.93 0.00 -0.24 5.44 5.08 -2.00 -2.64 114.58 127.16 1y9k h GLU 25 Ca -0.33 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.85 1y9k h GLU 25 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1y9k h GLU 25 CO 0.63 0.47 -0.56 -0.09 -1.00 0.00 0.00 179.01 178.45 1y9k h ARG 26 N 0.00 0.74 0.64 2.33 2.43 -1.97 -2.17 114.38 116.38 1y9k h ARG 26 Ca -0.00 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1y9k h ARG 26 Cb 0.96 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1y9k h ARG 26 CO 0.06 1.10 -0.34 1.96 -1.51 0.00 0.00 179.97 181.24 1y9k h GLN 27 N 0.56 -0.87 -0.75 0.20 1.08 -1.95 -2.56 115.11 110.83 1y9k h GLN 27 Ca 0.01 0.06 0.17 0.00 -1.45 0.00 0.00 58.65 57.43 1y9k h GLN 27 Cb 1.15 0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 28.66 1y9k h GLN 27 CO 0.12 -0.58 0.17 0.82 -0.95 0.00 0.00 178.83 178.40 1y9k h ILE 28 N -0.91 0.49 -0.98 2.54 2.04 -1.51 -0.02 117.51 119.15 1y9k h ILE 28 Ca -0.08 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1y9k h ILE 28 Cb 0.71 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1y9k h ILE 28 CO 0.12 0.05 0.64 0.00 0.00 0.00 0.00 178.15 178.95 1y9k h ALA 29 N 1.63 1.41 -0.70 1.87 0.00 -1.27 -1.62 119.26 120.58 1y9k h ALA 29 Ca 0.42 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.42 1y9k h ALA 29 Cb 0.74 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1y9k h ALA 29 CO -0.53 0.46 0.30 1.79 0.00 0.00 0.00 179.25 181.27 1y9k h THR 30 N 1.17 0.75 0.00 0.00 1.35 -0.57 -3.16 112.91 112.46 1y9k h THR 30 Ca 0.41 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1y9k h THR 30 Cb 0.13 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 1y9k h THR 30 CO -0.15 0.09 -1.79 0.00 -0.25 0.00 0.00 175.52 173.42 1y9k n TYR 31 N -4.95 0.20 -0.04 4.73 0.18 -1.06 -4.24 117.16 111.98 1y9k n TYR 31 Ca 0.12 0.06 -0.13 0.00 1.88 0.00 0.00 57.90 59.83 1y9k n TYR 31 Cb 0.33 -0.59 -0.01 0.00 -0.38 0.00 0.00 39.34 38.69 1y9k n TYR 31 CO 0.00 0.00 0.00 -0.39 -2.08 0.00 0.00 176.86 174.39 1y9k h VAL 32 N 0.00 1.29 -0.77 -3.48 -1.51 -1.31 0.25 116.25 110.72 1y9k h VAL 32 Ca 0.00 -1.80 0.08 0.00 -1.23 0.00 0.00 66.70 63.76 1y9k h VAL 32 Cb 1.00 1.73 -0.07 0.00 -2.13 0.00 0.00 31.29 31.82 1y9k h VAL 32 CO 0.00 0.57 0.43 -0.61 -1.23 0.00 0.00 177.57 176.73 1y9k h GLN 33 N 0.56 0.72 0.00 5.19 -0.00 -1.75 -3.05 115.11 116.78 1y9k h GLN 33 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1y9k h GLN 33 Cb 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.48 1y9k h GLN 33 CO 0.12 0.48 -1.13 0.54 0.00 0.00 0.00 178.83 178.84 1y9k n ARG 34 N -4.77 0.49 -1.57 1.69 1.74 -1.17 -5.01 116.66 108.06 1y9k n ARG 34 Ca 0.12 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1y9k n ARG 34 Cb 0.25 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1y9k n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y9k n GLY 35 N 1.26 3.58 3.14 -0.13 0.00 0.07 -4.80 105.19 108.32 1y9k n GLY 35 Ca 0.00 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 1y9k n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y9k s LEU 36 N 0.00 2.09 -0.17 0.99 1.43 0.54 -4.89 118.68 118.66 1y9k s LEU 36 Ca 0.00 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1y9k s LEU 36 Cb 0.00 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1y9k s LEU 36 CO 0.00 0.05 -0.01 -0.89 0.23 0.00 0.00 176.35 175.73 1y9k s THR 37 N 1.01 4.06 -0.03 5.49 2.01 -1.26 -0.48 115.64 126.44 1y9k s THR 37 Ca -0.03 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1y9k s THR 37 Cb -0.15 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1y9k s THR 37 CO -0.06 0.47 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.78 1y9k s TYR 38 N 0.55 2.38 0.14 4.92 1.51 -0.22 -1.86 117.35 124.77 1y9k s TYR 38 Ca -0.01 -0.46 0.09 0.00 -1.01 0.00 0.00 57.07 55.67 1y9k s TYR 38 Cb -0.14 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1y9k s TYR 38 CO 0.02 -0.05 -0.14 0.14 -1.11 0.00 0.00 175.55 174.41 1y9k s VAL 39 N -0.54 3.02 -0.16 0.71 -7.23 0.14 -1.33 120.40 115.00 1y9k s VAL 39 Ca 0.08 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 1y9k s VAL 39 Cb -0.11 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1y9k s VAL 39 CO -0.00 0.02 0.07 0.00 -0.31 0.00 0.00 175.10 174.88 1y9k s ALA 40 N -1.37 3.48 -0.05 1.32 0.00 0.39 -1.51 121.76 124.01 1y9k s ALA 40 Ca 0.21 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1y9k s ALA 40 Cb -0.10 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 1y9k s ALA 40 CO 0.12 0.30 -0.25 0.15 0.00 0.00 0.00 175.76 176.08 1y9k s LYS 41 N -0.00 2.44 -0.28 0.00 1.02 0.44 -0.74 119.74 122.61 1y9k s LYS 41 Ca 0.06 -0.91 -0.23 0.00 0.02 0.00 0.00 55.97 54.92 1y9k s LYS 41 Cb -0.12 -2.13 0.13 0.00 -0.52 0.00 0.00 37.83 35.19 1y9k s LYS 41 CO 0.01 0.42 1.04 1.14 -0.92 0.00 0.00 175.35 177.04 1y9k s GLN 42 N -0.27 0.45 0.00 1.68 -2.07 -0.57 -1.27 119.66 117.60 1y9k s GLN 42 Ca -0.00 0.59 0.00 0.00 -1.82 0.00 0.00 55.36 54.12 1y9k s GLN 42 Cb -0.13 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1y9k s GLN 42 CO 0.03 -0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.34 1y9k n GLY 43 N 2.57 0.41 2.01 2.60 0.00 -1.26 -3.80 105.19 107.72 1y9k n GLY 43 Ca -0.14 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.97 1y9k n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y9k n GLY 44 N -1.47 0.42 3.35 -0.02 0.00 -1.26 -5.05 105.19 101.17 1y9k n GLY 44 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1y9k n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9k s SER 45 N -2.80 -0.35 -0.24 1.61 1.04 -1.25 -5.13 113.70 106.59 1y9k s SER 45 Ca 0.00 -0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 1y9k s SER 45 Cb 0.00 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1y9k s SER 45 CO 0.00 -0.82 1.47 -0.69 0.98 0.00 0.00 173.24 174.17 1y9k s VAL 46 N -3.34 3.91 0.00 5.02 1.01 -1.26 -1.51 120.40 124.23 1y9k s VAL 46 Ca -0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1y9k s VAL 46 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1y9k s VAL 46 CO -0.09 -0.33 0.37 2.30 0.00 0.00 0.00 175.10 177.35 1y9k n ILE 47 N 6.18 0.00 -3.71 2.22 -6.64 0.08 -4.96 119.36 112.54 1y9k n ILE 47 Ca 0.17 -0.41 -0.11 0.00 -1.77 0.00 0.00 62.75 60.62 1y9k n ILE 47 Cb 0.46 1.16 -0.06 0.00 -1.44 0.00 0.00 39.64 39.75 1y9k n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1y9k s GLY 48 N -0.08 -0.18 0.07 3.28 0.00 -1.10 -0.10 107.32 109.21 1y9k s GLY 48 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 1y9k s GLY 48 CO 0.00 -0.26 0.54 0.54 0.00 0.00 0.00 173.10 173.92 1y9k s VAL 49 N -3.14 0.02 0.01 1.40 0.11 0.17 -0.46 120.40 118.51 1y9k s VAL 49 Ca -0.01 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.68 1y9k s VAL 49 Cb 0.01 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1y9k s VAL 49 CO -0.07 -0.11 0.34 -0.72 -3.33 0.00 0.00 175.10 171.21 1y9k s TYR 50 N -2.74 -0.19 -0.12 1.54 -0.85 -0.44 -1.49 117.35 113.06 1y9k s TYR 50 Ca -0.04 0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.72 1y9k s TYR 50 Cb -0.00 0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.48 1y9k s TYR 50 CO -0.04 -0.47 -0.18 0.08 -1.52 0.00 0.00 175.55 173.42 1y9k s VAL 51 N -1.93 1.72 -0.15 -3.49 1.01 -0.19 -1.06 120.40 116.31 1y9k s VAL 51 Ca -0.09 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1y9k s VAL 51 Cb -0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1y9k s VAL 51 CO 0.01 0.48 0.18 -0.76 0.00 0.00 0.00 175.10 175.01 1y9k s LEU 52 N 0.96 4.29 -0.05 3.92 1.43 0.37 -3.74 118.68 125.86 1y9k s LEU 52 Ca -0.06 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1y9k s LEU 52 Cb -0.15 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 1y9k s LEU 52 CO -0.03 0.25 -0.17 -0.22 0.23 0.00 0.00 176.35 176.42 1y9k s LEU 53 N -0.18 1.90 -0.19 1.79 2.96 -0.07 -0.34 118.68 124.55 1y9k s LEU 53 Ca 0.13 -0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 53.42 1y9k s LEU 53 Cb -0.12 -0.99 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 1y9k s LEU 53 CO 0.02 0.14 0.87 -0.70 -1.32 0.00 0.00 176.35 175.35 1y9k s GLU 54 N 0.13 4.28 0.00 1.98 2.12 -1.26 -0.12 118.70 125.82 1y9k s GLU 54 Ca -0.06 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1y9k s GLU 54 Cb -0.12 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1y9k s GLU 54 CO 0.03 -0.40 0.00 0.25 -0.54 0.00 0.00 175.26 174.60 1y9k n THR 55 N 4.90 0.00 -1.51 -1.70 -2.24 -0.03 -4.99 114.28 108.72 1y9k n THR 55 Ca 0.06 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 1y9k n THR 55 Cb 0.48 -0.02 0.12 0.00 -2.10 0.00 0.00 70.33 68.81 1y9k n THR 55 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1y9k s ARG 56 N 0.83 1.41 0.15 -0.78 0.52 -1.26 -4.93 118.95 114.88 1y9k s ARG 56 Ca 0.00 0.44 -0.34 0.00 -0.52 0.00 0.00 55.73 55.30 1y9k s ARG 56 Cb 0.00 -1.86 -0.15 0.00 0.52 0.00 0.00 34.95 33.46 1y9k s ARG 56 CO 0.00 -2.04 1.36 -2.30 0.02 0.00 0.00 175.30 172.34 1y9k n PRO 57 N -3.69 1.51 -1.70 3.54 -0.02 -1.26 -1.76 135.00 131.62 1y9k n PRO 57 Ca 0.07 0.54 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 1y9k n PRO 57 Cb 0.58 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 1y9k n PRO 57 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1y9k n LYS 58 N 2.47 -1.46 -4.67 -0.52 4.76 -1.26 -4.93 118.16 112.56 1y9k n LYS 58 Ca 0.16 1.20 -0.31 0.00 -2.87 0.00 0.00 58.31 56.49 1y9k n LYS 58 Cb 0.24 -5.60 -0.07 0.00 -1.84 0.00 0.00 35.03 27.76 1y9k n LYS 58 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1y9k n THR 59 N -2.60 0.00 -3.64 -0.18 -1.04 -0.72 -0.77 114.28 105.33 1y9k n THR 59 Ca -0.21 -2.46 -0.09 0.00 -2.04 0.00 0.00 64.05 59.25 1y9k n THR 59 Cb 0.68 0.60 -0.07 0.00 -1.82 0.00 0.00 70.33 69.72 1y9k n THR 59 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1y9k s GLU 61 N -3.80 0.62 0.74 -2.82 2.12 0.83 -0.85 118.70 115.53 1y9k s GLU 61 Ca 0.06 0.84 -0.11 0.00 0.36 0.00 0.00 54.97 56.12 1y9k s GLU 61 Cb 0.00 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.67 1y9k s GLU 61 CO 0.04 -0.09 1.07 0.42 -0.54 0.00 0.00 175.26 176.17 1y9k s ILE 62 N 0.73 3.66 0.14 -3.70 1.01 0.11 -0.90 121.20 122.25 1y9k s ILE 62 Ca -0.02 0.54 -0.34 0.00 0.00 0.00 0.00 60.65 60.82 1y9k s ILE 62 Cb -0.05 -3.25 -0.16 0.00 0.01 0.00 0.00 42.46 39.01 1y9k s ILE 62 CO -0.08 -0.70 1.19 -3.20 0.00 0.00 0.00 174.94 172.14 1y9k n ASN 64 N -3.27 1.30 -3.77 3.58 2.85 -1.25 -4.34 115.26 110.36 1y9k n ASN 64 Ca 0.07 1.14 -0.14 0.00 -0.11 0.00 0.00 54.58 55.54 1y9k n ASN 64 Cb 0.54 -1.19 -0.15 0.00 1.24 0.00 0.00 39.78 40.22 1y9k n ASN 64 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1y9k s ILE 65 N -0.03 -0.05 -0.10 -1.44 2.07 -1.26 -1.02 121.20 119.37 1y9k s ILE 65 Ca 0.77 0.17 -0.12 0.00 -1.41 0.00 0.00 60.65 60.06 1y9k s ILE 65 Cb -0.90 -0.15 0.03 0.00 0.13 0.00 0.00 42.46 41.57 1y9k s ILE 65 CO 0.51 0.07 0.31 0.00 -1.91 0.00 0.00 174.94 173.93 1y9k s ALA 66 N 0.98 -0.78 0.01 1.50 0.00 -0.56 -4.74 121.76 118.18 1y9k s ALA 66 Ca -0.08 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1y9k s ALA 66 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1y9k s ALA 66 CO -0.04 -0.18 -0.19 0.08 0.00 0.00 0.00 175.76 175.44 1y9k s VAL 67 N -0.17 1.50 0.26 0.00 1.01 -1.26 -0.66 120.40 121.08 1y9k s VAL 67 Ca -0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1y9k s VAL 67 Cb -0.03 -1.28 -0.13 0.00 0.00 0.00 0.00 36.38 34.94 1y9k s VAL 67 CO 0.01 0.29 1.31 0.00 0.00 0.00 0.00 175.10 176.71 1y9k n ALA 68 N 2.25 0.79 -0.18 5.51 0.00 0.86 -4.85 120.51 124.89 1y9k n ALA 68 Ca -0.16 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 1y9k n ALA 68 Cb 0.54 -2.21 0.09 0.00 0.00 0.00 0.00 19.45 17.86 1y9k n ALA 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y9k h GLU 69 N 3.48 0.23 0.00 0.00 5.08 -2.00 -1.46 114.58 119.92 1y9k h GLU 69 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1y9k h GLU 69 Cb 1.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1y9k h GLU 69 CO 0.70 0.15 0.00 -2.39 -1.00 0.00 0.00 179.01 176.48 1y9k n HIS 70 N -5.13 0.45 0.33 4.33 1.44 -1.26 -2.88 115.22 112.50 1y9k n HIS 70 Ca 0.07 0.18 0.06 0.00 -2.01 0.00 0.00 57.72 56.02 1y9k n HIS 70 Cb 0.29 -0.78 0.09 0.00 0.12 0.00 0.00 29.99 29.70 1y9k n HIS 70 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1y9k n LEU 71 N -1.91 2.34 -4.76 2.39 4.77 -0.57 -5.04 117.00 114.21 1y9k n LEU 71 Ca 0.03 -1.28 -0.34 0.00 -0.03 0.00 0.00 56.01 54.39 1y9k n LEU 71 Cb 0.22 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1y9k n LEU 71 CO 0.18 0.49 0.76 -1.10 -1.33 0.00 0.00 177.39 176.39 1y9k s GLN 72 N -1.04 2.85 -1.37 3.23 -0.21 -1.08 -3.42 119.66 118.62 1y9k s GLN 72 Ca 0.18 1.50 -0.06 0.00 0.02 0.00 0.00 55.36 57.00 1y9k s GLN 72 Cb 0.12 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 32.18 1y9k s GLN 72 CO 0.17 -1.23 0.79 0.41 -2.12 0.00 0.00 175.29 173.30 1y9k n GLY 73 N -0.23 -0.43 0.01 3.09 0.00 -1.26 -4.91 105.19 101.47 1y9k n GLY 73 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1y9k n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y9k n LYS 74 N -4.15 -0.88 0.00 1.61 5.02 -1.22 -4.99 118.16 113.54 1y9k n LYS 74 Ca -0.06 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 1y9k n LYS 74 Cb 0.59 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1y9k n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y9k n GLY 75 N 0.01 0.87 0.15 0.72 0.00 -1.26 -4.99 105.19 100.69 1y9k n GLY 75 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1y9k n GLY 75 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1y9k h ILE 76 N 0.00 1.41 0.53 -0.61 2.04 -1.94 -2.21 117.51 116.72 1y9k h ILE 76 Ca 0.00 -2.47 -0.03 0.00 1.00 0.00 0.00 64.86 63.36 1y9k h ILE 76 Cb 0.00 2.44 0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1y9k h ILE 76 CO 0.00 0.74 -0.25 1.23 0.00 0.00 0.00 178.15 179.86 1y9k h GLY 77 N 1.26 -0.74 -0.86 5.37 0.00 -1.94 -0.57 103.07 105.59 1y9k h GLY 77 Ca -0.08 0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.65 1y9k h GLY 77 CO 0.16 -0.27 -0.35 0.28 0.00 0.00 0.00 176.54 176.36 1y9k n LYS 78 N -5.39 -0.22 -0.11 4.80 4.76 -1.22 -1.29 118.16 119.49 1y9k n LYS 78 Ca -0.12 1.32 -0.10 0.00 -2.87 0.00 0.00 58.31 56.54 1y9k n LYS 78 Cb 0.30 -1.96 -0.02 0.00 -1.84 0.00 0.00 35.03 31.51 1y9k n LYS 78 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1y9k h LYS 79 N 0.00 0.52 -0.47 1.97 1.57 -1.01 -1.34 116.57 117.81 1y9k h LYS 79 Ca 0.28 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1y9k h LYS 79 Cb 0.50 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1y9k h LYS 79 CO -0.85 0.53 0.19 -0.07 -0.57 0.00 0.00 179.45 178.68 1y9k h LEU 80 N 0.40 0.60 0.07 2.94 3.38 -0.64 -2.02 115.31 120.03 1y9k h LEU 80 Ca 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1y9k h LEU 80 Cb 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y9k h LEU 80 CO -0.01 0.54 -0.03 0.25 0.09 0.00 0.00 178.44 179.28 1y9k h LEU 81 N 0.66 -0.08 -0.77 1.67 5.85 -0.97 0.26 115.31 121.93 1y9k h LEU 81 Ca 0.16 -0.48 0.18 0.00 0.84 0.00 0.00 57.88 58.58 1y9k h LEU 81 Cb 0.13 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.05 1y9k h LEU 81 CO -0.02 0.47 0.07 0.03 -0.34 0.00 0.00 178.44 178.65 1y9k h ARG 82 N -0.66 0.14 -0.58 1.25 3.08 -1.21 -1.26 114.38 115.14 1y9k h ARG 82 Ca -0.01 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1y9k h ARG 82 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1y9k h ARG 82 CO 0.02 0.09 -0.00 1.25 -1.07 0.00 0.00 179.97 180.25 1y9k h HIS 83 N 0.14 1.12 -0.39 3.04 2.76 -1.19 -1.78 115.15 118.84 1y9k h HIS 83 Ca 0.43 -0.19 0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1y9k h HIS 83 Cb 0.78 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 1y9k h HIS 83 CO -0.37 1.00 0.21 0.00 -1.30 0.00 0.00 177.93 177.46 1y9k h ALA 84 N 0.97 0.49 -0.13 5.26 0.00 -0.32 0.04 119.26 125.57 1y9k h ALA 84 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1y9k h ALA 84 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1y9k h ALA 84 CO 0.03 -0.14 -0.02 0.28 0.00 0.00 0.00 179.25 179.40 1y9k h VAL 85 N 0.43 0.89 -0.75 0.00 2.07 -1.04 -0.61 116.25 117.24 1y9k h VAL 85 Ca 0.16 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1y9k h VAL 85 Cb 0.05 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1y9k h VAL 85 CO -0.10 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.42 1y9k h GLU 86 N 0.02 1.15 -0.72 1.57 4.39 -1.19 -1.42 114.58 118.37 1y9k h GLU 86 Ca 0.06 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 1y9k h GLU 86 Cb 0.09 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1y9k h GLU 86 CO -0.12 0.96 0.21 1.15 -1.16 0.00 0.00 179.01 180.05 1y9k h THR 87 N 1.11 1.26 -0.42 1.13 2.02 -0.76 -1.86 112.91 115.39 1y9k h THR 87 Ca 0.24 -0.91 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 1y9k h THR 87 Cb 0.28 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1y9k h THR 87 CO -0.01 0.36 -0.28 0.00 0.37 0.00 0.00 175.52 175.95 1y9k h ALA 88 N 1.15 0.60 -0.01 6.16 0.00 -0.75 -2.22 119.26 124.18 1y9k h ALA 88 Ca 0.23 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1y9k h ALA 88 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1y9k h ALA 88 CO -0.01 0.63 -0.04 0.87 0.00 0.00 0.00 179.25 180.70 1y9k h LYS 89 N 0.76 -0.06 -1.02 0.00 1.57 -1.23 -2.93 116.57 113.65 1y9k h LYS 89 Ca 0.08 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 59.14 1y9k h LYS 89 Cb 0.87 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.06 1y9k h LYS 89 CO 0.08 -0.04 0.61 0.78 -0.57 0.00 0.00 179.45 180.31 1y9k h GLY 90 N -0.07 1.81 0.91 3.86 0.00 -1.10 0.23 103.07 108.72 1y9k h GLY 90 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1y9k h GLY 90 CO -0.05 -0.30 -0.00 -1.72 0.00 0.00 0.00 176.54 174.47 1y9k n TYR 91 N -4.88 0.00 -1.06 5.60 4.02 -0.86 -5.10 117.16 114.89 1y9k n TYR 91 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1y9k n TYR 91 Cb 0.86 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 1y9k n TYR 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y9k n GLY 92 N 1.02 -1.18 0.00 2.72 0.00 0.80 -5.10 105.19 103.45 1y9k n GLY 92 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1y9k n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y9k n SER 94 N -0.17 0.00 -3.81 1.61 3.41 0.05 -4.95 113.62 109.76 1y9k n SER 94 Ca 0.00 -0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.39 1y9k n SER 94 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1y9k n SER 94 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1y9k s LYS 95 N 0.00 0.22 -0.12 4.33 2.20 -0.90 -0.20 119.74 125.28 1y9k s LYS 95 Ca 0.00 0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1y9k s LYS 95 Cb 0.00 -0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 35.88 1y9k s LYS 95 CO 0.00 -0.15 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.49 1y9k s LEU 96 N 1.05 2.40 0.16 5.43 2.96 -1.26 -4.27 118.68 125.15 1y9k s LEU 96 Ca -0.09 -0.45 0.11 0.00 -0.22 0.00 0.00 54.13 53.48 1y9k s LEU 96 Cb -0.13 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1y9k s LEU 96 CO -0.02 0.16 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.34 1y9k s GLU 97 N 0.36 1.59 -0.11 1.98 2.02 -1.26 -4.32 118.70 118.96 1y9k s GLU 97 Ca -0.15 -1.40 -0.10 0.00 0.02 0.00 0.00 54.97 53.35 1y9k s GLU 97 Cb -0.17 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.15 1y9k s GLU 97 CO 0.07 0.43 0.29 0.54 0.02 0.00 0.00 175.26 176.61 1y9k s VAL 98 N -1.43 -0.00 0.18 2.63 0.11 -0.72 0.05 120.40 121.21 1y9k s VAL 98 Ca 0.19 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1y9k s VAL 98 Cb -0.09 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1y9k s VAL 98 CO 0.09 0.01 0.02 -0.83 -3.33 0.00 0.00 175.10 171.06 1y9k s GLY 99 N 0.29 1.71 0.09 6.54 0.00 -1.26 -0.98 107.32 113.71 1y9k s GLY 99 Ca -0.01 -1.37 -0.21 0.00 0.00 0.00 0.00 44.72 43.13 1y9k s GLY 99 CO -0.01 -1.39 0.50 -1.08 0.00 0.00 0.00 173.10 171.13 1y9k s THR 100 N -1.79 0.03 0.70 0.90 -1.32 -0.49 -4.98 115.64 108.69 1y9k s THR 100 Ca 0.28 -0.29 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1y9k s THR 100 Cb -0.09 -1.03 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 1y9k s THR 100 CO 0.19 -0.16 1.19 -0.83 -2.21 0.00 0.00 174.62 172.80 1y9k s GLY 101 N -2.37 2.36 0.52 6.08 0.00 -1.26 0.47 107.32 113.13 1y9k s GLY 101 Ca -0.02 0.83 0.18 0.00 0.00 0.00 0.00 44.72 45.71 1y9k s GLY 101 CO -0.07 1.22 2.13 3.45 0.00 0.00 0.00 173.10 179.83 1y9k h ASN 102 N -0.06 0.00 1.50 1.64 -1.07 -1.55 -1.00 115.58 115.03 1y9k h ASN 102 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 1y9k h ASN 102 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 1y9k h ASN 102 CO 0.51 0.00 0.00 0.77 0.07 0.00 0.00 177.43 178.78 1y9k h SER 103 N 0.00 0.00 -0.50 6.14 4.64 -1.86 -3.40 113.55 118.57 1y9k h SER 103 Ca 0.03 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.64 1y9k h SER 103 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 1y9k h SER 103 CO -0.00 0.00 3.12 -1.20 -0.87 0.00 0.00 176.83 177.88 1y9k n SER 104 N -2.31 7.45 -0.02 4.97 7.64 -0.38 -4.72 113.62 126.25 1y9k n SER 104 Ca 0.05 -2.84 -0.04 0.00 1.01 0.00 0.00 58.87 57.05 1y9k n SER 104 Cb 0.44 -1.50 0.17 0.00 -1.01 0.00 0.00 64.21 62.30 1y9k n SER 104 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1y9k h VAL 105 N 3.10 1.26 -0.45 0.44 2.07 -1.82 -0.76 116.25 120.10 1y9k h VAL 105 Ca 0.73 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1y9k h VAL 105 Cb 0.38 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1y9k h VAL 105 CO 1.69 0.41 -0.01 -1.28 0.02 0.00 0.00 177.57 178.40 1y9k h SER 106 N 0.51 0.71 -0.38 0.57 0.87 -1.98 -1.52 113.55 112.34 1y9k h SER 106 Ca 0.08 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.35 1y9k h SER 106 Cb 0.66 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1y9k h SER 106 CO 0.05 0.78 -0.24 1.56 -0.53 0.00 0.00 176.83 178.45 1y9k h GLN 107 N 0.69 0.83 -0.60 2.24 4.20 -1.82 -2.09 115.11 118.56 1y9k h GLN 107 Ca 0.14 -0.39 0.10 0.00 0.06 0.00 0.00 58.65 58.56 1y9k h GLN 107 Cb 0.44 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 1y9k h GLN 107 CO 0.02 1.02 0.18 -0.07 -0.67 0.00 0.00 178.83 179.31 1y9k h LEU 108 N 0.63 0.11 -0.21 1.46 3.38 -0.87 0.80 115.31 120.60 1y9k h LEU 108 Ca 0.08 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1y9k h LEU 108 Cb 0.81 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1y9k h LEU 108 CO 0.07 0.07 0.07 0.00 0.09 0.00 0.00 178.44 178.73 1y9k h ALA 109 N 1.45 0.28 0.21 1.53 0.00 -1.28 -2.82 119.26 118.64 1y9k h ALA 109 Ca 0.31 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1y9k h ALA 109 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1y9k h ALA 109 CO -0.36 -0.10 -0.26 1.25 0.00 0.00 0.00 179.25 179.77 1y9k h LEU 110 N 0.18 -0.73 -0.62 0.00 5.85 -0.91 -0.76 115.31 118.33 1y9k h LEU 110 Ca 0.07 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1y9k h LEU 110 Cb 0.22 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1y9k h LEU 110 CO -0.00 -0.37 0.28 1.88 -0.34 0.00 0.00 178.44 179.88 1y9k h TYR 111 N -0.53 0.49 -0.49 1.25 0.05 -0.92 -1.38 116.97 115.45 1y9k h TYR 111 Ca 0.01 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.68 1y9k h TYR 111 Cb 0.51 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1y9k h TYR 111 CO -0.20 0.18 -0.20 1.96 -1.05 0.00 0.00 178.16 178.85 1y9k h GLN 112 N 0.50 0.99 -0.47 4.88 4.20 -1.34 -1.18 115.11 122.68 1y9k h GLN 112 Ca 0.30 -0.41 0.05 0.00 0.06 0.00 0.00 58.65 58.65 1y9k h GLN 112 Cb 0.31 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1y9k h GLN 112 CO -0.25 1.09 0.32 0.87 -0.67 0.00 0.00 178.83 180.18 1y9k h LYS 113 N 0.86 0.42 -0.13 1.46 1.57 -0.74 -1.75 116.57 118.26 1y9k h LYS 113 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1y9k h LYS 113 Cb 0.78 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1y9k h LYS 113 CO 0.06 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1y9k n GLY 115 N 1.08 0.73 3.76 0.00 0.00 -0.66 -5.05 105.19 105.06 1y9k n GLY 115 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1y9k n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y9k s PHE 116 N -2.00 3.53 -0.08 1.61 0.40 -0.50 -4.84 117.98 116.10 1y9k s PHE 116 Ca 0.00 1.68 0.03 0.00 -0.60 0.00 0.00 56.93 58.04 1y9k s PHE 116 Cb 0.00 -3.31 -0.02 0.00 0.51 0.00 0.00 43.02 40.21 1y9k s PHE 116 CO 0.00 -0.64 -0.18 0.50 0.70 0.00 0.00 175.22 175.60 1y9k s ARG 117 N -1.50 2.86 0.06 0.44 3.52 0.08 -4.00 118.95 120.41 1y9k s ARG 117 Ca 0.45 -0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 54.98 1y9k s ARG 117 Cb -0.32 -2.40 -0.06 0.00 -1.56 0.00 0.00 34.95 30.61 1y9k s ARG 117 CO 0.42 0.38 1.25 0.42 -0.81 0.00 0.00 175.30 176.96 1y9k s ILE 118 N -0.11 3.88 0.00 4.11 1.01 -1.26 -0.97 121.20 127.85 1y9k s ILE 118 Ca -0.03 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1y9k s ILE 118 Cb -0.14 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1y9k s ILE 118 CO 0.04 0.09 0.00 2.22 0.00 0.00 0.00 174.94 177.29 1y9k n PHE 119 N 4.15 0.00 -3.51 3.97 1.16 -0.28 -4.97 117.46 117.98 1y9k n PHE 119 Ca 0.10 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.59 1y9k n PHE 119 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 1y9k n PHE 119 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1y9k s SER 120 N -0.73 -0.39 -0.10 5.98 0.15 -1.18 -5.02 113.70 112.42 1y9k s SER 120 Ca 0.00 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 1y9k s SER 120 Cb 0.00 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1y9k s SER 120 CO 0.00 -0.70 -0.05 -0.63 1.20 0.00 0.00 173.24 173.06 1y9k s ILE 121 N -3.24 0.81 -0.55 6.45 1.01 -1.26 0.17 121.20 124.59 1y9k s ILE 121 Ca 0.05 -0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 1y9k s ILE 121 Cb -0.01 -0.87 0.05 0.00 0.01 0.00 0.00 42.46 41.64 1y9k s ILE 121 CO -0.09 0.33 0.89 -1.81 0.00 0.00 0.00 174.94 174.27 1y9k s ASP 122 N 1.77 6.31 0.23 3.58 1.01 -1.26 -5.01 116.67 123.30 1y9k s ASP 122 Ca 0.04 -0.49 -0.30 0.00 0.71 0.00 0.00 52.55 52.51 1y9k s ASP 122 Cb -0.12 -2.41 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1y9k s ASP 122 CO -0.07 -1.19 1.23 -0.36 0.21 0.00 0.00 175.17 174.99 1y9k s PHE 123 N 3.75 3.33 -1.51 4.23 0.40 -1.26 -3.42 117.98 123.51 1y9k s PHE 123 Ca 0.27 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 58.01 1y9k s PHE 123 Cb -0.14 -3.50 0.00 0.00 0.51 0.00 0.00 43.02 39.89 1y9k s PHE 123 CO 0.17 -1.42 0.00 -0.25 0.70 0.00 0.00 175.22 174.43 1y9k n ASP 124 N 2.00 -4.81 -0.13 1.36 8.00 -1.17 -4.90 116.55 116.90 1y9k n ASP 124 Ca 0.03 0.35 -0.04 0.00 0.71 0.00 0.00 54.79 55.84 1y9k n ASP 124 Cb 0.44 -3.56 0.04 0.00 -0.02 0.00 0.00 41.12 38.01 1y9k n ASP 124 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1y9k h TYR 125 N 0.00 -0.01 -0.10 1.24 3.20 -1.48 -2.30 116.97 117.53 1y9k h TYR 125 Ca -0.29 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.39 1y9k h TYR 125 Cb 0.96 0.07 0.01 0.00 1.54 0.00 0.00 36.73 39.31 1y9k h TYR 125 CO 0.42 -0.08 -0.79 0.74 -1.64 0.00 0.00 178.16 176.82 1y9k h PHE 126 N 0.12 0.99 -0.77 -3.82 -1.00 -1.79 -1.68 116.94 108.99 1y9k h PHE 126 Ca 0.21 -0.47 0.11 0.00 2.81 0.00 0.00 57.97 60.64 1y9k h PHE 126 Cb 0.30 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.66 1y9k h PHE 126 CO -0.27 1.29 0.51 0.77 -1.61 0.00 0.00 178.31 179.00 1y9k h SER 127 N 0.41 0.56 0.74 2.17 0.02 -1.71 -0.93 113.55 114.81 1y9k h SER 127 Ca -0.07 0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.65 1y9k h SER 127 Cb 1.43 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 1y9k h SER 127 CO 0.16 0.32 -1.16 0.50 -1.14 0.00 0.00 176.83 175.50 1y9k h LYS 128 N 0.61 0.19 0.00 3.45 3.64 -1.11 -3.35 116.57 120.00 1y9k h LYS 128 Ca 0.37 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1y9k h LYS 128 Cb 0.58 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1y9k h LYS 128 CO -0.14 1.15 -1.16 0.72 -2.27 0.00 0.00 179.45 177.76 1y9k n HIS 129 N -3.48 0.33 -4.38 1.91 8.25 -0.66 -4.92 115.22 112.27 1y9k n HIS 129 Ca -0.06 0.10 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 1y9k n HIS 129 Cb 0.99 -0.51 -0.16 0.00 1.12 0.00 0.00 29.99 31.44 1y9k n HIS 129 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1y9k s TYR 130 N -3.26 0.98 0.17 4.41 1.51 -0.39 -5.02 117.35 115.76 1y9k s TYR 130 Ca 0.02 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 55.66 1y9k s TYR 130 Cb 0.14 -0.73 0.11 0.00 -0.11 0.00 0.00 41.96 41.37 1y9k s TYR 130 CO 0.82 -0.14 1.78 1.49 -1.11 0.00 0.00 175.55 178.39 1y9k h GLU 131 N 6.61 0.44 -5.45 -0.62 4.81 -1.86 -3.43 114.58 115.08 1y9k h GLU 131 Ca -0.34 -0.03 -0.62 0.00 -0.13 0.00 0.00 59.36 58.24 1y9k h GLU 131 Cb 1.17 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.35 1y9k h GLU 131 CO 0.48 0.29 -0.45 -2.00 -0.73 0.00 0.00 179.01 176.60 1y9k s GLU 132 N -6.14 3.93 0.31 1.92 2.56 -1.26 -5.07 118.70 114.95 1y9k s GLU 132 Ca -0.13 -0.12 -0.29 0.00 0.00 0.00 0.00 54.97 54.42 1y9k s GLU 132 Cb 0.13 -3.33 -0.12 0.00 2.00 0.00 0.00 34.13 32.81 1y9k s GLU 132 CO 0.73 0.47 1.46 -1.91 -0.56 0.00 0.00 175.26 175.45 1y9k n GLU 133 N 2.93 2.42 -4.02 4.30 2.13 -1.26 -5.00 120.64 122.15 1y9k n GLU 133 Ca -0.17 0.86 -0.35 0.00 0.66 0.00 0.00 57.16 58.16 1y9k n GLU 133 Cb 0.53 -2.55 -0.12 0.00 0.27 0.00 0.00 31.44 29.57 1y9k n GLU 133 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1y9k s ILE 134 N -0.55 4.28 -0.04 6.31 1.01 -1.26 -5.07 121.20 125.88 1y9k s ILE 134 Ca 0.60 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1y9k s ILE 134 Cb -0.54 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1y9k s ILE 134 CO 0.56 0.42 -0.23 -0.63 0.00 0.00 0.00 174.94 175.06 1y9k s ILE 135 N 0.91 2.31 -0.21 2.92 1.01 -1.26 -0.27 121.20 126.60 1y9k s ILE 135 Ca 0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 1y9k s ILE 135 Cb -0.14 -1.84 0.09 0.00 0.01 0.00 0.00 42.46 40.58 1y9k s ILE 135 CO 0.02 0.58 0.18 -0.70 0.00 0.00 0.00 174.94 175.02 1y9k s GLU 136 N -0.49 0.16 -1.40 2.79 2.12 0.41 -4.85 118.70 117.44 1y9k s GLU 136 Ca 0.06 -0.01 -0.07 0.00 0.36 0.00 0.00 54.97 55.31 1y9k s GLU 136 Cb -0.11 -1.35 0.04 0.00 0.26 0.00 0.00 34.13 32.97 1y9k s GLU 136 CO 0.01 -0.74 0.91 0.09 -0.54 0.00 0.00 175.26 174.98 1y9k n ASN 137 N 5.30 -3.44 0.00 -1.70 5.03 -1.26 -1.92 115.26 117.27 1y9k n ASN 137 Ca -0.06 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.64 1y9k n ASN 137 Cb 0.48 -4.19 0.00 0.00 -1.02 0.00 0.00 39.78 35.05 1y9k n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y9k n GLY 138 N -1.65 1.78 3.52 7.41 0.00 -1.26 -5.02 105.19 109.96 1y9k n GLY 138 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1y9k n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y9k s ILE 139 N -3.41 3.97 -0.02 -0.61 1.01 -0.81 -5.08 121.20 116.26 1y9k s ILE 139 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 1y9k s ILE 139 Cb 0.00 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.68 1y9k s ILE 139 CO 0.00 0.50 1.53 -0.69 0.00 0.00 0.00 174.94 176.28 1y9k s VAL 140 N 0.26 3.57 -0.76 2.92 1.01 -1.26 -0.44 120.40 125.70 1y9k s VAL 140 Ca -0.02 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 1y9k s VAL 140 Cb -0.14 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1y9k s VAL 140 CO 0.03 -0.03 1.37 0.00 0.00 0.00 0.00 175.10 176.46 1y9k n ARG 142 N 9.29 0.11 0.00 0.00 0.63 -1.26 -4.50 116.66 120.94 1y9k n ARG 142 Ca 0.09 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1y9k n ARG 142 Cb 0.50 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.34 1y9k n ARG 142 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1y9k n ASP 143 N -2.68 0.00 -3.67 6.15 8.00 -1.26 -2.30 116.55 120.79 1y9k n ASP 143 Ca -0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 1y9k n ASP 143 Cb 0.59 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 1y9k n ASP 143 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y9k s ILE 145 N 4.03 -0.11 -0.17 0.53 -1.09 0.18 -1.37 121.20 123.20 1y9k s ILE 145 Ca 0.00 0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.41 1y9k s ILE 145 Cb 0.00 -0.77 -0.04 0.00 -1.58 0.00 0.00 42.46 40.07 1y9k s ILE 145 CO 0.00 0.03 0.05 -0.13 -1.23 0.00 0.00 174.94 173.66 1y9k s ARG 146 N 1.65 3.87 0.12 2.79 1.81 0.13 -1.40 118.95 127.91 1y9k s ARG 146 Ca -0.09 -0.35 0.06 0.00 -1.72 0.00 0.00 55.73 53.63 1y9k s ARG 146 Cb -0.08 -3.16 -0.04 0.00 -0.45 0.00 0.00 34.95 31.22 1y9k s ARG 146 CO -0.16 0.33 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.13 1y9k s LEU 147 N 0.21 2.38 0.00 2.53 1.02 -0.15 -1.13 118.68 123.54 1y9k s LEU 147 Ca 0.04 -0.77 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1y9k s LEU 147 Cb -0.12 -0.59 0.00 0.00 0.02 0.00 0.00 46.19 45.49 1y9k s LEU 147 CO 0.01 -0.11 0.00 0.00 0.02 0.00 0.00 176.35 176.27 1y9k n ALA 148 N 0.67 0.00 -3.55 4.21 0.00 -0.15 -1.76 120.51 119.93 1y9k n ALA 148 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 1y9k n ALA 148 Cb 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.85 1y9k n ALA 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1y9k s GLU 150 N -1.20 1.61 -0.23 0.00 2.02 -1.26 -0.74 118.70 118.89 1y9k s GLU 150 Ca 0.00 -0.36 -0.10 0.00 0.02 0.00 0.00 54.97 54.53 1y9k s GLU 150 Cb 0.00 -1.40 -0.17 0.00 0.10 0.00 0.00 34.13 32.66 1y9k s GLU 150 CO 0.00 -0.03 -0.07 1.28 0.02 0.00 0.00 175.26 176.46 1y9k n LEU 151 N 4.02 2.34 0.00 1.80 4.77 0.71 -4.95 117.00 125.70 1y9k n LEU 151 Ca -0.21 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1y9k n LEU 151 Cb 0.51 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1y9k n LEU 151 CO 0.24 0.67 0.00 0.59 -1.33 0.00 0.00 177.39 177.55