#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s97 s ILE 2 N 0.00 2.68 -0.19 1.12 1.01 -1.26 -4.24 121.20 120.32 1s97 s ILE 2 Ca 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 60.65 59.14 1s97 s ILE 2 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1s97 s ILE 2 CO 0.00 -0.04 0.07 -0.69 0.00 0.00 0.00 174.94 174.28 1s97 s VAL 3 N 1.21 4.83 -0.26 2.92 1.01 -0.33 -1.60 120.40 128.17 1s97 s VAL 3 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1s97 s VAL 3 Cb -0.19 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1s97 s VAL 3 CO -0.03 0.45 -0.01 -0.22 0.00 0.00 0.00 175.10 175.29 1s97 s LEU 4 N 0.44 3.42 -0.17 3.92 0.20 0.19 -2.20 118.68 124.47 1s97 s LEU 4 Ca 0.04 -0.80 -0.07 0.00 0.69 0.00 0.00 54.13 53.98 1s97 s LEU 4 Cb -0.12 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1s97 s LEU 4 CO 0.00 -0.15 0.08 0.12 -0.29 0.00 0.00 176.35 176.12 1s97 s PHE 5 N 1.39 3.32 -0.10 5.38 5.36 0.93 -0.05 117.98 134.21 1s97 s PHE 5 Ca 0.01 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1s97 s PHE 5 Cb -0.17 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.44 1s97 s PHE 5 CO -0.02 0.27 -0.15 0.08 -1.46 0.00 0.00 175.22 173.94 1s97 s VAL 6 N 0.11 2.88 -0.14 3.12 1.01 0.17 -0.86 120.40 126.69 1s97 s VAL 6 Ca 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1s97 s VAL 6 Cb -0.12 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.14 1s97 s VAL 6 CO 0.00 0.55 0.04 -0.62 0.00 0.00 0.00 175.10 175.07 1s97 s ASP 7 N 0.03 2.22 0.11 3.32 3.68 -0.74 -1.62 116.67 123.67 1s97 s ASP 7 Ca -0.05 -0.47 -0.31 0.00 2.13 0.00 0.00 52.55 53.84 1s97 s ASP 7 Cb -0.15 -0.41 -0.08 0.00 -1.45 0.00 0.00 42.92 40.84 1s97 s ASP 7 CO 0.05 -0.28 1.35 -0.36 0.13 0.00 0.00 175.17 176.06 1s97 s PHE 8 N 2.00 3.28 0.19 -5.34 0.08 -0.78 -1.12 117.98 116.29 1s97 s PHE 8 Ca 0.02 1.03 -0.31 0.00 0.12 0.00 0.00 56.93 57.79 1s97 s PHE 8 Cb -0.15 -3.63 -0.09 0.00 -0.57 0.00 0.00 43.02 38.57 1s97 s PHE 8 CO -0.07 -2.17 1.45 -0.51 -0.10 0.00 0.00 175.22 173.82 1s97 s ASP 9 N 1.05 6.70 -0.25 1.36 1.01 -0.99 -3.66 116.67 121.88 1s97 s ASP 9 Ca 0.63 2.56 -0.00 0.00 0.71 0.00 0.00 52.55 56.44 1s97 s ASP 9 Cb -0.36 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 40.97 1s97 s ASP 9 CO 0.31 -0.70 0.01 0.00 0.21 0.00 0.00 175.17 174.99 1s97 n TYR 10 N 3.11 -0.21 -0.33 4.23 0.18 -1.26 -4.55 117.16 118.33 1s97 n TYR 10 Ca 0.09 0.09 -0.09 0.00 1.88 0.00 0.00 57.90 59.88 1s97 n TYR 10 Cb 0.40 -0.47 -0.08 0.00 -0.38 0.00 0.00 39.34 38.82 1s97 n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1s97 n PHE 11 N -1.60 -0.35 -0.18 -3.48 7.35 -1.24 -0.59 117.46 117.38 1s97 n PHE 11 Ca -0.05 0.98 -0.01 0.00 -0.76 0.00 0.00 57.45 57.61 1s97 n PHE 11 Cb 0.11 -0.56 0.08 0.00 0.35 0.00 0.00 39.48 39.47 1s97 n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1s97 h TYR 12 N 0.00 0.25 -0.31 -5.13 0.05 -1.94 -0.31 116.97 109.59 1s97 h TYR 12 Ca 0.13 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.81 1s97 h TYR 12 Cb 0.32 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1s97 h TYR 12 CO -0.95 0.03 -0.32 0.00 -1.05 0.00 0.00 178.16 175.88 1s97 h ALA 13 N 1.40 0.45 -0.98 3.88 0.00 -1.63 -2.81 119.26 119.57 1s97 h ALA 13 Ca 0.27 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1s97 h ALA 13 Cb 0.35 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1s97 h ALA 13 CO -0.32 0.50 0.65 0.37 0.00 0.00 0.00 179.25 180.44 1s97 h GLN 14 N 0.52 1.22 -0.40 0.00 4.15 -0.24 -0.12 115.11 120.25 1s97 h GLN 14 Ca 0.05 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1s97 h GLN 14 Cb 0.89 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1s97 h GLN 14 CO 0.08 0.81 0.24 0.28 -1.93 0.00 0.00 178.83 178.31 1s97 h VAL 15 N 1.26 1.13 -0.75 2.39 2.07 -1.00 0.14 116.25 121.50 1s97 h VAL 15 Ca 0.39 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1s97 h VAL 15 Cb -0.02 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1s97 h VAL 15 CO -0.11 0.13 0.49 -0.33 0.02 0.00 0.00 177.57 177.76 1s97 h GLU 16 N 0.52 0.72 -0.56 1.57 4.39 -1.04 0.37 114.58 120.55 1s97 h GLU 16 Ca 0.14 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 1s97 h GLU 16 Cb 0.00 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1s97 h GLU 16 CO -0.03 0.47 -0.01 0.93 -1.16 0.00 0.00 179.01 179.21 1s97 h GLU 17 N 0.74 0.97 -0.39 2.33 5.08 0.82 -1.04 114.58 123.09 1s97 h GLU 17 Ca 0.33 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1s97 h GLU 17 Cb 0.33 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1s97 h GLU 17 CO -0.12 0.97 -0.26 0.28 -1.00 0.00 0.00 179.01 178.88 1s97 h VAL 18 N 0.89 1.28 0.00 3.13 2.07 0.11 -1.71 116.25 122.02 1s97 h VAL 18 Ca 0.16 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1s97 h VAL 18 Cb 0.54 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1s97 h VAL 18 CO 0.03 0.47 0.00 0.18 0.02 0.00 0.00 177.57 178.27 1s97 n LEU 19 N -4.18 0.23 -3.02 2.57 4.77 -0.12 -4.21 117.00 113.03 1s97 n LEU 19 Ca -0.02 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.34 1s97 n LEU 19 Cb 0.47 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1s97 n LEU 19 CO 0.46 -0.19 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.06 1s97 n ASN 20 N -1.73 -1.79 -0.46 -1.43 5.15 -0.41 -5.03 115.26 109.57 1s97 n ASN 20 Ca 0.05 -2.80 0.42 0.00 -0.60 0.00 0.00 54.58 51.65 1s97 n ASN 20 Cb 0.28 0.65 0.76 0.00 -0.53 0.00 0.00 39.78 40.94 1s97 n ASN 20 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1s97 h PRO 21 N 4.77 0.00 0.00 1.20 0.11 -1.49 -0.46 132.00 136.13 1s97 h PRO 21 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1s97 h PRO 21 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1s97 h PRO 21 CO 0.27 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.93 1s97 n SER 22 N -3.98 0.00 -0.02 -2.05 3.41 -1.26 -2.35 113.62 107.36 1s97 n SER 22 Ca 0.33 -0.19 -0.13 0.00 -0.26 0.00 0.00 58.87 58.62 1s97 n SER 22 Cb 1.57 -0.10 -0.14 0.00 -0.26 0.00 0.00 64.21 65.28 1s97 n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s97 n LEU 23 N -1.10 1.43 -4.68 1.04 4.77 -0.18 -4.86 117.00 113.41 1s97 n LEU 23 Ca 0.07 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.95 1s97 n LEU 23 Cb 0.06 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1s97 n LEU 23 CO 0.07 0.55 0.83 2.29 -1.33 0.00 0.00 177.39 179.81 1s97 n LYS 24 N -3.17 1.88 0.00 3.23 2.85 -0.99 -1.54 118.16 120.42 1s97 n LYS 24 Ca -0.23 0.67 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1s97 n LYS 24 Cb 1.06 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1s97 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1s97 n GLY 25 N 0.87 3.09 3.96 2.58 0.00 -1.26 -5.04 105.19 109.39 1s97 n GLY 25 Ca 0.07 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1s97 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s97 s LYS 26 N 0.00 3.45 0.15 1.61 -2.85 -0.59 -4.90 119.74 116.61 1s97 s LYS 26 Ca 0.00 -0.67 -0.31 0.00 -1.00 0.00 0.00 55.97 53.98 1s97 s LYS 26 Cb 0.00 -2.86 -0.10 0.00 -2.06 0.00 0.00 37.83 32.81 1s97 s LYS 26 CO 0.00 0.39 1.71 -2.14 0.10 0.00 0.00 175.35 175.41 1s97 s PRO 27 N -3.98 4.16 -0.13 1.78 0.02 -1.26 -4.80 135.00 130.79 1s97 s PRO 27 Ca 0.35 2.51 0.01 0.00 0.02 0.00 0.00 61.00 63.89 1s97 s PRO 27 Cb -0.09 -3.34 0.02 0.00 0.02 0.00 0.00 34.50 31.11 1s97 s PRO 27 CO 0.30 -0.75 -0.16 0.08 -0.33 0.00 0.00 177.00 176.14 1s97 s VAL 28 N 1.89 1.65 -0.29 3.83 1.01 -1.26 -1.74 120.40 125.49 1s97 s VAL 28 Ca 0.76 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1s97 s VAL 28 Cb -0.46 -1.51 0.08 0.00 0.00 0.00 0.00 36.38 34.49 1s97 s VAL 28 CO 0.33 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 175.18 1s97 s VAL 29 N 1.10 2.11 -0.23 2.92 1.01 -0.41 -1.86 120.40 125.03 1s97 s VAL 29 Ca -0.03 -1.87 -0.24 0.00 0.00 0.00 0.00 61.98 59.84 1s97 s VAL 29 Cb -0.14 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1s97 s VAL 29 CO -0.05 -0.28 0.82 -0.69 0.00 0.00 0.00 175.10 174.91 1s97 s VAL 30 N 1.07 4.85 0.36 2.92 1.01 -0.06 -1.31 120.40 129.23 1s97 s VAL 30 Ca -0.00 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1s97 s VAL 30 Cb -0.19 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 1s97 s VAL 30 CO -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 175.10 174.94 1s97 s VAL 32 N -2.75 2.95 -0.30 0.00 1.01 0.66 -0.64 120.40 121.32 1s97 s VAL 32 Ca 0.34 -1.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.15 1s97 s VAL 32 Cb 0.06 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1s97 s VAL 32 CO 0.17 -0.49 0.85 -0.36 0.00 0.00 0.00 175.10 175.27 1s97 s PHE 33 N 1.12 3.20 0.06 5.22 0.08 -1.26 -1.50 117.98 124.89 1s97 s PHE 33 Ca 0.05 0.91 0.03 0.00 0.12 0.00 0.00 56.93 58.03 1s97 s PHE 33 Cb -0.21 -3.30 -0.25 0.00 -0.57 0.00 0.00 43.02 38.70 1s97 s PHE 33 CO -0.04 -0.59 1.06 0.66 -0.10 0.00 0.00 175.22 176.20 1s97 h SER 34 N 8.07 0.20 -0.02 1.36 4.64 -1.70 -3.48 113.55 122.61 1s97 h SER 34 Ca -0.23 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1s97 h SER 34 Cb 1.09 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1s97 h SER 34 CO 0.91 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 178.68 1s97 n GLY 35 N 1.50 0.63 0.01 -0.77 0.00 -1.26 -4.73 105.19 100.58 1s97 n GLY 35 Ca -0.08 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1s97 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s97 n ARG 36 N -0.99 0.13 0.00 1.61 1.74 -1.26 -4.75 116.66 113.14 1s97 n ARG 36 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1s97 n ARG 36 Cb 0.42 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1s97 n ARG 36 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1s97 n PHE 37 N -1.69 0.00 -1.65 -1.55 1.16 -1.26 -5.01 117.46 107.46 1s97 n PHE 37 Ca 0.03 0.00 -0.58 0.00 -1.87 0.00 0.00 57.45 55.03 1s97 n PHE 37 Cb 0.38 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.18 1s97 n PHE 37 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1s97 n GLU 38 N -0.18 0.80 -2.49 3.97 -0.58 -1.26 -0.57 120.64 120.33 1s97 n GLU 38 Ca 0.00 0.29 -0.16 0.00 -0.42 0.00 0.00 57.16 56.87 1s97 n GLU 38 Cb 0.00 -1.91 -0.01 0.00 -0.57 0.00 0.00 31.44 28.96 1s97 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1s97 n ASP 39 N 3.67 -4.59 -4.78 1.62 8.00 -1.26 -4.93 116.55 114.29 1s97 n ASP 39 Ca 0.24 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.46 1s97 n ASP 39 Cb 0.11 -3.85 -0.04 0.00 -0.02 0.00 0.00 41.12 37.32 1s97 n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s97 s SER 40 N -2.09 6.82 0.00 -2.24 1.04 0.27 -3.74 113.70 113.75 1s97 s SER 40 Ca 0.03 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.48 1s97 s SER 40 Cb -0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1s97 s SER 40 CO 0.04 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1s97 n GLY 41 N 0.35 0.77 3.17 7.32 0.00 -1.26 -1.72 105.19 113.82 1s97 n GLY 41 Ca 0.05 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 1s97 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s97 s ALA 42 N -1.30 0.96 0.02 4.61 0.00 -0.56 -2.50 121.76 122.99 1s97 s ALA 42 Ca 0.00 -1.35 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 1s97 s ALA 42 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1s97 s ALA 42 CO 0.00 -0.25 0.91 0.08 0.00 0.00 0.00 175.76 176.50 1s97 s VAL 43 N -3.65 4.79 -0.20 0.00 1.01 -0.56 -0.24 120.40 121.54 1s97 s VAL 43 Ca 0.12 1.92 0.17 0.00 0.00 0.00 0.00 61.98 64.19 1s97 s VAL 43 Cb 0.06 -4.25 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 1s97 s VAL 43 CO -0.05 0.24 0.06 0.00 0.00 0.00 0.00 175.10 175.35 1s97 n ALA 44 N 3.48 1.50 -3.64 5.51 0.00 0.14 -1.05 120.51 126.45 1s97 n ALA 44 Ca 0.03 -1.31 -0.05 0.00 0.00 0.00 0.00 53.44 52.11 1s97 n ALA 44 Cb 0.51 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1s97 n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s97 s THR 45 N -2.48 0.00 0.14 0.00 2.01 -1.09 -4.65 115.64 109.56 1s97 s THR 45 Ca -0.11 0.00 0.09 0.00 0.31 0.00 0.00 61.69 61.98 1s97 s THR 45 Cb 0.06 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1s97 s THR 45 CO 0.81 0.00 -0.20 0.00 -0.69 0.00 0.00 174.62 174.54 1s97 s ALA 46 N 0.70 1.98 0.96 7.40 0.00 -1.26 -0.89 121.76 130.66 1s97 s ALA 46 Ca -0.02 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 1s97 s ALA 46 Cb -0.04 -0.24 0.21 0.00 0.00 0.00 0.00 23.12 23.05 1s97 s ALA 46 CO -0.11 0.33 1.31 0.54 0.00 0.00 0.00 175.76 177.82 1s97 s ASN 47 N -2.29 3.06 0.33 0.00 2.20 -0.78 -4.76 114.94 112.70 1s97 s ASN 47 Ca 0.12 0.11 0.05 0.00 -0.94 0.00 0.00 52.86 52.20 1s97 s ASN 47 Cb -0.08 -0.12 0.58 0.00 -2.00 0.00 0.00 41.25 39.62 1s97 s ASN 47 CO 0.06 -2.75 1.83 1.88 -2.94 0.00 0.00 177.10 175.18 1s97 h TYR 48 N -1.60 0.47 -0.98 1.54 -1.99 -1.96 -0.30 116.97 112.17 1s97 h TYR 48 Ca -0.43 -0.07 0.06 0.00 2.00 0.00 0.00 58.73 60.30 1s97 h TYR 48 Cb 1.22 -0.13 -0.06 0.00 2.00 0.00 0.00 36.73 39.76 1s97 h TYR 48 CO -1.25 0.55 0.63 0.93 -0.00 0.00 0.00 178.16 179.03 1s97 h GLU 49 N 0.42 1.11 0.07 4.88 4.39 -1.90 -1.83 114.58 121.72 1s97 h GLU 49 Ca 0.08 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1s97 h GLU 49 Cb 0.45 -0.25 0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1s97 h GLU 49 CO 0.03 0.74 -0.65 0.00 -1.16 0.00 0.00 179.01 177.96 1s97 h ALA 50 N 1.47 -0.02 -0.38 3.43 0.00 -1.75 -3.32 119.26 118.69 1s97 h ALA 50 Ca 0.42 -0.62 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1s97 h ALA 50 Cb 0.16 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1s97 h ALA 50 CO -0.16 0.32 0.26 0.00 0.00 0.00 0.00 179.25 179.67 1s97 h ARG 51 N -0.33 0.20 0.00 0.00 3.08 -0.81 -0.79 114.38 115.74 1s97 h ARG 51 Ca -0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1s97 h ARG 51 Cb 1.45 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1s97 h ARG 51 CO 0.12 0.13 0.00 0.36 -1.07 0.00 0.00 179.97 179.52 1s97 n LYS 52 N -4.47 0.12 -0.09 0.04 2.85 -0.71 -1.35 118.16 114.55 1s97 n LYS 52 Ca 0.05 0.21 0.03 0.00 -1.05 0.00 0.00 58.31 57.55 1s97 n LYS 52 Cb 0.30 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.26 1s97 n LYS 52 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1s97 n PHE 53 N -1.30 0.24 -0.24 5.58 3.72 -0.31 -4.98 117.46 120.18 1s97 n PHE 53 Ca 0.04 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 1s97 n PHE 53 Cb 0.07 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1s97 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s97 n GLY 54 N 0.03 0.63 3.49 1.37 0.00 -0.45 -4.98 105.19 105.29 1s97 n GLY 54 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1s97 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s97 s VAL 55 N -2.45 4.66 0.23 1.61 1.01 -1.17 -5.00 120.40 119.29 1s97 s VAL 55 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1s97 s VAL 55 Cb 0.00 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1s97 s VAL 55 CO 0.00 -0.90 0.30 -1.59 0.00 0.00 0.00 175.10 172.91 1s97 s LYS 56 N 3.23 1.38 0.26 2.72 0.00 -1.26 -3.09 119.74 122.98 1s97 s LYS 56 Ca 0.23 -1.46 -0.28 0.00 0.00 0.00 0.00 55.97 54.46 1s97 s LYS 56 Cb -0.15 0.37 -0.15 0.00 0.00 0.00 0.00 37.83 37.89 1s97 s LYS 56 CO 0.16 -0.52 0.80 0.00 0.00 0.00 0.00 175.35 175.79 1s97 n ALA 57 N -0.33 -1.31 0.00 0.59 0.00 -1.26 -3.01 120.51 115.19 1s97 n ALA 57 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1s97 n ALA 57 Cb 0.64 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1s97 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s97 n GLY 58 N 1.54 3.07 3.78 0.00 0.00 -0.22 -4.97 105.19 108.40 1s97 n GLY 58 Ca 0.13 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1s97 n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s97 s ILE 59 N -0.67 3.46 0.37 -0.61 -4.36 -1.16 -4.63 121.20 113.59 1s97 s ILE 59 Ca 0.00 0.63 -0.28 0.00 -0.26 0.00 0.00 60.65 60.74 1s97 s ILE 59 Cb 0.00 -3.16 -0.10 0.00 1.25 0.00 0.00 42.46 40.45 1s97 s ILE 59 CO 0.00 -0.47 1.37 -2.84 0.24 0.00 0.00 174.94 173.24 1s97 s PRO 60 N -4.31 4.17 0.21 0.37 0.02 -1.26 -1.50 135.00 132.70 1s97 s PRO 60 Ca 0.64 2.32 -0.09 0.00 0.02 0.00 0.00 61.00 63.90 1s97 s PRO 60 Cb -0.18 -2.96 0.30 0.00 0.02 0.00 0.00 34.50 31.68 1s97 s PRO 60 CO 0.44 -0.39 1.75 0.82 -0.33 0.00 0.00 177.00 179.29 1s97 h ILE 61 N 2.86 0.77 0.00 2.83 2.04 -1.68 -0.70 117.51 123.63 1s97 h ILE 61 Ca -0.50 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1s97 h ILE 61 Cb 1.24 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1s97 h ILE 61 CO 0.64 0.08 -0.08 -0.37 0.00 0.00 0.00 178.15 178.42 1s97 h VAL 62 N 0.43 1.05 -0.02 1.67 -1.51 -1.85 -0.60 116.25 115.43 1s97 h VAL 62 Ca 0.32 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 65.51 1s97 h VAL 62 Cb 0.39 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1s97 h VAL 62 CO -0.31 0.08 -0.04 -0.08 -1.23 0.00 0.00 177.57 175.99 1s97 h GLU 63 N 0.00 0.05 -0.79 5.19 4.57 -1.54 -2.79 114.58 119.27 1s97 h GLU 63 Ca -0.00 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.28 1s97 h GLU 63 Cb 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.64 1s97 h GLU 63 CO 0.01 0.63 0.37 0.00 -1.18 0.00 0.00 179.01 178.83 1s97 h ALA 64 N 0.42 1.14 0.00 2.92 0.00 -0.62 0.19 119.26 123.31 1s97 h ALA 64 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1s97 h ALA 64 Cb 0.63 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1s97 h ALA 64 CO 0.01 -0.14 -0.03 0.87 0.00 0.00 0.00 179.25 179.96 1s97 h LYS 65 N 0.54 0.00 0.06 0.00 1.57 -1.04 0.32 116.57 118.02 1s97 h LYS 65 Ca 0.43 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.96 1s97 h LYS 65 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1s97 h LYS 65 CO -0.37 0.03 -1.08 0.87 -0.57 0.00 0.00 179.45 178.33 1s97 h LYS 66 N 0.00 0.35 0.00 3.15 1.57 -0.37 -2.61 116.57 118.66 1s97 h LYS 66 Ca -0.00 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1s97 h LYS 66 Cb 0.21 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1s97 h LYS 66 CO 0.00 1.16 -0.17 0.82 -0.57 0.00 0.00 179.45 180.69 1s97 h ILE 67 N 0.16 1.40 -2.69 1.86 2.04 -0.93 -3.41 117.51 115.93 1s97 h ILE 67 Ca -0.11 -2.11 -0.61 0.00 1.00 0.00 0.00 64.86 63.03 1s97 h ILE 67 Cb 1.76 2.70 -0.42 0.00 -0.74 0.00 0.00 36.82 40.12 1s97 h ILE 67 CO 0.18 0.47 -0.61 0.18 0.00 0.00 0.00 178.15 178.37 1s97 n LEU 68 N -4.61 3.07 0.28 1.44 4.77 0.10 -4.92 117.00 117.14 1s97 n LEU 68 Ca -0.11 -5.25 0.16 0.00 -0.03 0.00 0.00 56.01 50.77 1s97 n LEU 68 Cb 0.43 -0.63 0.81 0.00 -2.33 0.00 0.00 43.42 41.70 1s97 n LEU 68 CO 0.27 1.88 1.01 1.55 -1.33 0.00 0.00 177.39 180.78 1s97 h PRO 69 N 4.91 0.00 -0.51 3.23 0.13 -1.65 -2.88 132.00 135.22 1s97 h PRO 69 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1s97 h PRO 69 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1s97 h PRO 69 CO 0.74 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1s97 n ASN 70 N -3.37 4.00 -4.84 1.44 3.02 -1.26 -4.97 115.26 109.28 1s97 n ASN 70 Ca -0.01 -2.35 -0.31 0.00 -0.03 0.00 0.00 54.58 51.88 1s97 n ASN 70 Cb 0.23 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1s97 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s97 s ALA 71 N -1.65 2.72 -0.29 5.41 0.00 -1.09 -4.96 121.76 121.91 1s97 s ALA 71 Ca 0.42 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 1s97 s ALA 71 Cb 0.26 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1s97 s ALA 71 CO 0.21 -1.19 0.63 0.08 0.00 0.00 0.00 175.76 175.50 1s97 s VAL 72 N -3.14 4.94 -0.25 0.00 1.01 -0.71 -4.97 120.40 117.28 1s97 s VAL 72 Ca 0.58 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.38 1s97 s VAL 72 Cb -0.13 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1s97 s VAL 72 CO 0.54 -0.11 0.18 -0.31 0.00 0.00 0.00 175.10 175.41 1s97 s TYR 73 N 2.60 3.29 0.00 5.22 2.02 -1.26 -1.29 117.35 127.93 1s97 s TYR 73 Ca 0.26 0.22 0.07 0.00 -0.37 0.00 0.00 57.07 57.25 1s97 s TYR 73 Cb -0.15 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1s97 s TYR 73 CO 0.11 0.01 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.37 1s97 s LEU 74 N 1.25 2.09 0.38 -1.29 1.43 -0.43 -4.99 118.68 117.11 1s97 s LEU 74 Ca 0.08 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 1s97 s LEU 74 Cb -0.14 -1.10 -0.09 0.00 0.03 0.00 0.00 46.19 44.89 1s97 s LEU 74 CO 0.06 0.24 1.04 -2.16 0.23 0.00 0.00 176.35 175.76 1s97 s PRO 75 N -0.75 4.25 0.26 1.29 0.04 -1.26 0.54 135.00 139.36 1s97 s PRO 75 Ca 0.08 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 1s97 s PRO 75 Cb -0.09 -2.61 -0.13 0.00 0.04 0.00 0.00 34.50 31.71 1s97 s PRO 75 CO 0.00 -0.06 1.35 -0.12 0.04 0.00 0.00 177.00 178.21 1s97 n MET 76 N 0.08 1.96 -3.28 4.56 0.00 0.18 -4.76 117.12 115.87 1s97 n MET 76 Ca 0.04 0.70 -0.25 0.00 -0.00 0.00 0.00 57.70 58.19 1s97 n MET 76 Cb 0.49 -2.32 -0.07 0.00 0.00 0.00 0.00 33.22 31.33 1s97 n MET 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1s97 n ARG 77 N 1.69 1.57 -0.19 2.12 1.74 -1.26 -5.00 116.66 117.33 1s97 n ARG 77 Ca 0.10 -3.89 -0.00 0.00 -0.77 0.00 0.00 57.85 53.29 1s97 n ARG 77 Cb 0.32 -1.70 0.09 0.00 -1.02 0.00 0.00 32.46 30.15 1s97 n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s97 h LYS 78 N 4.00 0.19 -0.91 5.56 1.63 -1.99 -2.30 116.57 122.75 1s97 h LYS 78 Ca 0.13 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1s97 h LYS 78 Cb 0.78 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.32 1s97 h LYS 78 CO 0.63 0.12 0.60 0.93 -3.45 0.00 0.00 179.45 178.29 1s97 h GLU 79 N 0.19 1.20 -0.20 1.90 3.07 -1.98 0.11 114.58 118.87 1s97 h GLU 79 Ca 0.30 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1s97 h GLU 79 Cb 0.45 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1s97 h GLU 79 CO -0.43 0.79 0.10 0.28 -1.40 0.00 0.00 179.01 178.36 1s97 h VAL 80 N 1.23 1.12 0.00 3.13 2.07 -1.87 -1.70 116.25 120.24 1s97 h VAL 80 Ca 0.34 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1s97 h VAL 80 Cb -0.14 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1s97 h VAL 80 CO -0.07 0.12 -0.27 1.88 0.02 0.00 0.00 177.57 179.25 1s97 h TYR 81 N 0.20 0.00 -0.24 1.57 0.05 -0.93 -2.63 116.97 114.99 1s97 h TYR 81 Ca 0.07 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.67 1s97 h TYR 81 Cb 0.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1s97 h TYR 81 CO -0.03 0.27 -0.56 0.37 -1.05 0.00 0.00 178.16 177.15 1s97 h GLN 82 N 0.00 0.74 -0.31 4.88 5.75 -0.31 -1.18 115.11 124.69 1s97 h GLN 82 Ca -0.00 -0.48 -0.16 0.00 -0.15 0.00 0.00 58.65 57.86 1s97 h GLN 82 Cb 0.54 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1s97 h GLN 82 CO 0.03 1.10 -0.43 1.96 -2.65 0.00 0.00 178.83 178.85 1s97 h GLN 83 N 0.57 0.77 -0.59 1.69 4.20 -1.11 -0.94 115.11 119.71 1s97 h GLN 83 Ca 0.01 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.21 1s97 h GLN 83 Cb 1.15 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1s97 h GLN 83 CO 0.12 1.05 0.05 0.28 -0.67 0.00 0.00 178.83 179.66 1s97 h VAL 84 N 0.62 1.26 -0.67 -0.54 2.07 -1.44 -2.75 116.25 114.81 1s97 h VAL 84 Ca 0.04 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1s97 h VAL 84 Cb 0.99 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1s97 h VAL 84 CO 0.09 0.39 0.37 -1.28 0.02 0.00 0.00 177.57 177.16 1s97 h SER 85 N 0.90 0.83 -0.74 0.57 0.87 -1.01 -2.29 113.55 112.68 1s97 h SER 85 Ca 0.17 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1s97 h SER 85 Cb 0.49 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 1s97 h SER 85 CO 0.02 0.69 0.45 0.28 -0.53 0.00 0.00 176.83 177.73 1s97 h SER 86 N 0.92 0.71 -0.57 6.23 0.02 -0.93 0.11 113.55 120.04 1s97 h SER 86 Ca 0.24 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1s97 h SER 86 Cb 0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1s97 h SER 86 CO -0.04 0.48 -0.06 0.03 -1.14 0.00 0.00 176.83 176.09 1s97 h ARG 87 N 0.85 1.05 -0.29 3.45 3.08 -1.26 -1.52 114.38 119.73 1s97 h ARG 87 Ca 0.31 -0.37 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1s97 h ARG 87 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1s97 h ARG 87 CO -0.14 1.06 -0.14 0.82 -1.07 0.00 0.00 179.97 180.50 1s97 h ILE 88 N 0.94 1.29 -0.83 2.04 2.04 -0.88 -2.39 117.51 119.73 1s97 h ILE 88 Ca 0.15 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.86 1s97 h ILE 88 Cb 0.63 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 1s97 h ILE 88 CO 0.04 0.39 0.49 0.24 0.00 0.00 0.00 178.15 179.32 1s97 h MET 89 N 0.35 0.85 -0.51 2.37 2.86 -0.71 0.79 114.93 120.93 1s97 h MET 89 Ca 0.06 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1s97 h MET 89 Cb 0.66 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1s97 h MET 89 CO 0.04 0.56 0.34 -0.91 1.06 0.00 0.00 176.91 178.01 1s97 h ASN 90 N 0.88 0.52 -0.66 1.22 2.35 -1.01 -0.29 115.58 118.58 1s97 h ASN 90 Ca 0.38 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.06 1s97 h ASN 90 Cb 0.25 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1s97 h ASN 90 CO -0.20 0.36 0.21 -0.07 -1.65 0.00 0.00 177.43 176.08 1s97 h LEU 91 N 0.60 0.98 -0.83 1.61 3.38 -0.36 -2.63 115.31 118.06 1s97 h LEU 91 Ca 0.20 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1s97 h LEU 91 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1s97 h LEU 91 CO -0.05 0.91 -0.24 -0.07 0.09 0.00 0.00 178.44 179.08 1s97 h LEU 92 N 1.01 0.62 -1.75 1.67 3.38 -0.32 -2.90 115.31 117.02 1s97 h LEU 92 Ca 0.22 -0.21 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1s97 h LEU 92 Cb 0.28 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1s97 h LEU 92 CO -0.01 0.84 0.53 0.03 0.09 0.00 0.00 178.44 179.92 1s97 h ARG 93 N 0.54 0.22 0.00 1.13 3.08 -0.92 -0.22 114.38 118.20 1s97 h ARG 93 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1s97 h ARG 93 Cb 0.70 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1s97 h ARG 93 CO 0.05 0.15 0.00 0.39 -1.07 0.00 0.00 179.97 179.49 1s97 n GLU 94 N -4.42 0.49 0.00 0.04 1.02 -1.09 -2.72 120.64 113.96 1s97 n GLU 94 Ca 0.15 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1s97 n GLU 94 Cb 0.68 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.59 1s97 n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1s97 n TYR 95 N -1.00 0.00 -3.64 -0.32 4.01 -0.10 -5.03 117.16 111.07 1s97 n TYR 95 Ca 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.81 1s97 n TYR 95 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.02 1s97 n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1s97 s SER 96 N -1.01 -0.29 0.33 7.72 0.15 -1.10 -4.96 113.70 114.54 1s97 s SER 96 Ca 0.04 0.52 0.17 0.00 0.70 0.00 0.00 55.95 57.38 1s97 s SER 96 Cb 0.04 0.71 0.45 0.00 -1.71 0.00 0.00 66.02 65.50 1s97 s SER 96 CO 0.14 -0.09 1.62 1.05 1.20 0.00 0.00 173.24 177.16 1s97 h GLU 97 N 4.32 0.00 -4.21 5.44 9.09 -1.89 -3.39 114.58 123.93 1s97 h GLU 97 Ca -0.28 0.00 -0.75 0.00 0.05 0.00 0.00 59.36 58.38 1s97 h GLU 97 Cb 1.18 0.00 -0.23 0.00 -1.65 0.00 0.00 28.75 28.05 1s97 h GLU 97 CO 0.16 0.44 0.18 0.15 0.05 0.00 0.00 179.01 180.00 1s97 s LYS 98 N -3.35 3.43 0.02 1.06 1.02 -1.26 -5.02 119.74 115.63 1s97 s LYS 98 Ca 0.01 -2.05 0.06 0.00 0.02 0.00 0.00 55.97 54.01 1s97 s LYS 98 Cb 0.10 -4.47 -0.02 0.00 -0.52 0.00 0.00 37.83 32.92 1s97 s LYS 98 CO 0.71 -1.42 -0.18 -1.50 -0.92 0.00 0.00 175.35 172.04 1s97 s ILE 99 N 1.21 1.44 -0.33 2.17 2.07 -1.26 -2.00 121.20 124.50 1s97 s ILE 99 Ca 0.17 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.44 1s97 s ILE 99 Cb -0.14 -1.24 0.10 0.00 0.13 0.00 0.00 42.46 41.31 1s97 s ILE 99 CO -0.05 0.23 0.10 -0.70 -1.91 0.00 0.00 174.94 172.61 1s97 s GLU 100 N -0.88 0.99 -0.30 3.50 2.12 -0.04 -3.88 118.70 120.21 1s97 s GLU 100 Ca 0.06 -1.40 -0.29 0.00 0.36 0.00 0.00 54.97 53.70 1s97 s GLU 100 Cb -0.08 -2.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.93 1s97 s GLU 100 CO 0.01 -0.99 1.34 0.42 -0.54 0.00 0.00 175.26 175.49 1s97 s ILE 101 N 1.28 4.08 -0.08 -3.70 1.01 -1.26 -1.33 121.20 121.19 1s97 s ILE 101 Ca 0.11 1.21 0.15 0.00 0.00 0.00 0.00 60.65 62.12 1s97 s ILE 101 Cb -0.18 -4.13 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 1s97 s ILE 101 CO -0.18 -0.49 0.69 0.00 0.00 0.00 0.00 174.94 174.97 1s97 n ALA 102 N 7.79 1.69 -3.09 9.38 0.00 0.11 -4.68 120.51 131.71 1s97 n ALA 102 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1s97 n ALA 102 Cb 0.47 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1s97 n ALA 102 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s97 n SER 103 N -2.95 -0.26 0.18 0.00 3.41 -1.15 -4.95 113.62 107.89 1s97 n SER 103 Ca -0.15 -1.18 0.13 0.00 -0.26 0.00 0.00 58.87 57.42 1s97 n SER 103 Cb 0.97 0.44 0.62 0.00 -0.26 0.00 0.00 64.21 65.97 1s97 n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1s97 h ILE 104 N 1.12 0.00 0.00 -1.33 2.10 -2.00 -3.18 117.51 114.22 1s97 h ILE 104 Ca -0.04 -0.15 -0.14 0.00 1.08 0.00 0.00 64.86 65.62 1s97 h ILE 104 Cb 0.14 0.83 -0.30 0.00 -1.09 0.00 0.00 36.82 36.41 1s97 h ILE 104 CO 0.05 0.00 -0.90 -0.90 -1.08 0.00 0.00 178.15 175.32 1s97 n ASP 105 N -2.41 0.74 -3.75 2.19 5.68 -1.26 -4.79 116.55 112.96 1s97 n ASP 105 Ca 0.00 -2.00 -0.13 0.00 -0.50 0.00 0.00 54.79 52.16 1s97 n ASP 105 Cb 0.14 -0.27 -0.14 0.00 -1.14 0.00 0.00 41.12 39.72 1s97 n ASP 105 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1s97 s GLU 106 N 0.00 0.15 -0.05 0.11 2.02 -1.20 -1.87 118.70 117.86 1s97 s GLU 106 Ca 0.26 0.42 -0.05 0.00 0.02 0.00 0.00 54.97 55.62 1s97 s GLU 106 Cb 0.29 -0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.41 1s97 s GLU 106 CO -0.13 -0.15 0.13 0.00 0.02 0.00 0.00 175.26 175.13 1s97 s ALA 107 N 1.10 -0.32 -0.12 5.21 0.00 -0.64 0.10 121.76 127.08 1s97 s ALA 107 Ca -0.08 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 1s97 s ALA 107 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1s97 s ALA 107 CO -0.06 -0.07 0.03 0.71 0.00 0.00 0.00 175.76 176.36 1s97 s TYR 108 N -0.05 3.21 -0.09 0.00 2.02 -0.45 -0.66 117.35 121.34 1s97 s TYR 108 Ca -0.01 0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.88 1s97 s TYR 108 Cb -0.02 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1s97 s TYR 108 CO 0.00 0.38 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.61 1s97 s LEU 109 N -0.50 2.10 -0.65 -1.29 1.02 0.93 -0.86 118.68 119.43 1s97 s LEU 109 Ca 0.09 -0.54 -0.19 0.00 0.02 0.00 0.00 54.13 53.51 1s97 s LEU 109 Cb -0.12 -1.41 0.11 0.00 0.02 0.00 0.00 46.19 44.80 1s97 s LEU 109 CO 0.02 0.18 0.78 -0.62 0.02 0.00 0.00 176.35 176.73 1s97 s ASP 110 N 0.20 6.26 -0.33 2.29 -1.08 -0.85 -0.64 116.67 122.52 1s97 s ASP 110 Ca -0.14 -1.54 0.09 0.00 -0.52 0.00 0.00 52.55 50.44 1s97 s ASP 110 Cb -0.17 -2.32 0.72 0.00 -1.46 0.00 0.00 42.92 39.70 1s97 s ASP 110 CO 0.07 -1.11 1.79 2.30 0.52 0.00 0.00 175.17 178.75 1s97 n ILE 111 N 5.47 2.93 -0.10 4.11 -5.35 -0.63 -4.51 119.36 121.29 1s97 n ILE 111 Ca -0.04 -1.74 0.10 0.00 -0.27 0.00 0.00 62.75 60.80 1s97 n ILE 111 Cb 0.44 -0.37 0.47 0.00 -1.74 0.00 0.00 39.64 38.44 1s97 n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1s97 h SER 112 N 2.37 0.43 -0.58 7.28 0.02 -1.86 -0.10 113.55 121.10 1s97 h SER 112 Ca 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1s97 h SER 112 Cb 2.34 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.80 1s97 h SER 112 CO 0.75 0.27 0.00 0.47 -1.14 0.00 0.00 176.83 177.18 1s97 n ASP 113 N -4.48 4.62 0.00 3.07 10.43 -1.26 -4.22 116.55 124.72 1s97 n ASP 113 Ca 0.10 -2.50 0.00 0.00 2.57 0.00 0.00 54.79 54.95 1s97 n ASP 113 Cb 0.32 -0.58 0.00 0.00 1.84 0.00 0.00 41.12 42.70 1s97 n ASP 113 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1s97 n LYS 114 N 0.93 2.46 -4.00 -1.24 4.76 -0.10 -5.07 118.16 115.91 1s97 n LYS 114 Ca 0.24 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.60 1s97 n LYS 114 Cb 0.89 -0.78 -0.10 0.00 -1.84 0.00 0.00 35.03 33.20 1s97 n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s97 s VAL 115 N -1.50 0.17 -0.09 -0.18 -7.23 -0.90 -5.02 120.40 105.66 1s97 s VAL 115 Ca 0.00 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1s97 s VAL 115 Cb 0.00 -1.09 -0.25 0.00 0.56 0.00 0.00 36.38 35.60 1s97 s VAL 115 CO 0.00 -0.76 0.49 0.54 -0.31 0.00 0.00 175.10 175.05 1s97 n ARG 116 N 0.56 0.71 -2.74 4.82 1.74 -1.26 -4.80 116.66 115.68 1s97 n ARG 116 Ca -0.17 0.28 -0.07 0.00 -0.77 0.00 0.00 57.85 57.11 1s97 n ARG 116 Cb 0.59 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1s97 n ARG 116 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1s97 n ASP 117 N -3.31 -0.45 0.10 0.55 5.75 -1.26 -5.04 116.55 112.89 1s97 n ASP 117 Ca -0.26 -1.85 0.12 0.00 -0.01 0.00 0.00 54.79 52.79 1s97 n ASP 117 Cb 1.05 0.91 0.46 0.00 -1.03 0.00 0.00 41.12 42.51 1s97 n ASP 117 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1s97 n TYR 118 N -0.25 0.73 -0.03 2.11 4.01 -1.26 -0.74 117.16 121.72 1s97 n TYR 118 Ca 0.02 0.26 -0.15 0.00 -0.16 0.00 0.00 57.90 57.86 1s97 n TYR 118 Cb 0.25 -0.91 -0.12 0.00 -0.31 0.00 0.00 39.34 38.25 1s97 n TYR 118 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1s97 h ARG 119 N 0.00 0.15 -0.46 -0.72 2.43 -1.98 0.79 114.38 114.59 1s97 h ARG 119 Ca 0.00 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1s97 h ARG 119 Cb 0.48 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1s97 h ARG 119 CO 0.00 0.92 -0.10 0.93 -1.51 0.00 0.00 179.97 180.21 1s97 h GLU 120 N -0.55 0.87 -0.45 0.20 5.08 -1.94 -1.48 114.58 116.32 1s97 h GLU 120 Ca -0.03 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1s97 h GLU 120 Cb 1.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1s97 h GLU 120 CO 0.04 0.97 0.30 0.00 -1.00 0.00 0.00 179.01 179.32 1s97 h ALA 121 N 0.88 1.76 -0.09 3.43 0.00 -0.95 0.41 119.26 124.69 1s97 h ALA 121 Ca 0.12 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1s97 h ALA 121 Cb 0.64 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1s97 h ALA 121 CO 0.04 0.20 -0.87 -0.92 0.00 0.00 0.00 179.25 177.70 1s97 h TYR 122 N 0.54 1.00 -0.16 0.00 3.20 -0.41 -2.83 116.97 118.32 1s97 h TYR 122 Ca 0.18 -0.48 -0.09 0.00 3.14 0.00 0.00 58.73 61.47 1s97 h TYR 122 Cb 0.05 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1s97 h TYR 122 CO -0.00 1.31 -0.31 -0.91 -1.64 0.00 0.00 178.16 176.61 1s97 h ASN 123 N 0.46 0.31 -0.19 -2.11 2.35 -0.30 -2.00 115.58 114.11 1s97 h ASN 123 Ca -0.08 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1s97 h ASN 123 Cb 1.50 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.78 1s97 h ASN 123 CO 0.17 0.61 -0.06 0.25 -1.65 0.00 0.00 177.43 176.76 1s97 h LEU 124 N 0.27 0.38 -2.19 1.61 5.85 -0.94 -0.42 115.31 119.86 1s97 h LEU 124 Ca 0.04 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1s97 h LEU 124 Cb 0.69 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1s97 h LEU 124 CO 0.05 0.67 0.00 1.23 -0.34 0.00 0.00 178.44 180.05 1s97 h GLY 125 N 0.09 0.00 1.13 3.75 0.00 -1.35 -0.21 103.07 106.47 1s97 h GLY 125 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.10 1s97 h GLY 125 CO 0.02 0.00 -1.16 -2.00 0.00 0.00 0.00 176.54 173.40 1s97 h LEU 126 N 0.00 0.80 -0.78 3.11 7.12 -0.82 -2.51 115.31 122.24 1s97 h LEU 126 Ca 0.00 -0.84 -0.10 0.00 0.13 0.00 0.00 57.88 57.07 1s97 h LEU 126 Cb 0.24 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 1s97 h LEU 126 CO 0.00 1.57 -0.15 -0.08 -0.13 0.00 0.00 178.44 179.65 1s97 h GLU 127 N 0.15 0.76 -0.20 1.25 4.81 0.30 -2.67 114.58 118.99 1s97 h GLU 127 Ca -0.18 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 1s97 h GLU 127 Cb 1.86 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 1s97 h GLU 127 CO 0.22 0.87 -0.01 0.82 -0.73 0.00 0.00 179.01 180.18 1s97 h ILE 128 N 0.68 1.26 -0.21 2.32 2.04 -1.13 0.01 117.51 122.50 1s97 h ILE 128 Ca 0.11 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1s97 h ILE 128 Cb 0.63 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1s97 h ILE 128 CO 0.04 0.28 0.05 0.11 0.00 0.00 0.00 178.15 178.63 1s97 h LYS 129 N 0.11 0.29 0.00 2.37 1.57 -1.37 -0.94 116.57 118.60 1s97 h LYS 129 Ca 0.06 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 1s97 h LYS 129 Cb 0.42 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1s97 h LYS 129 CO 0.01 0.27 -0.98 -0.91 -0.57 0.00 0.00 179.45 177.27 1s97 h ASN 130 N 0.29 0.00 0.07 0.86 -0.26 -1.25 -2.26 115.58 113.03 1s97 h ASN 130 Ca 0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1s97 h ASN 130 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1s97 h ASN 130 CO -0.00 0.98 -0.03 0.50 -1.06 0.00 0.00 177.43 177.81 1s97 h LYS 131 N 0.00 -0.09 -0.59 0.81 1.63 -0.25 -0.30 116.57 117.79 1s97 h LYS 131 Ca -0.01 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1s97 h LYS 131 Cb 1.75 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 33.38 1s97 h LYS 131 CO 0.13 0.31 0.31 0.82 -3.45 0.00 0.00 179.45 177.57 1s97 h ILE 132 N -0.50 1.20 -0.73 2.00 2.04 -1.29 -1.32 117.51 118.90 1s97 h ILE 132 Ca -0.01 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1s97 h ILE 132 Cb 0.44 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1s97 h ILE 132 CO 0.01 0.22 0.29 0.25 0.00 0.00 0.00 178.15 178.92 1s97 h LEU 133 N 0.80 1.01 0.11 1.44 5.85 -1.41 0.11 115.31 123.21 1s97 h LEU 133 Ca 0.21 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1s97 h LEU 133 Cb 0.06 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1s97 h LEU 133 CO -0.03 0.91 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.84 1s97 h GLU 134 N 1.05 -0.14 0.02 1.25 4.81 -0.61 -1.24 114.58 119.72 1s97 h GLU 134 Ca 0.24 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.24 1s97 h GLU 134 Cb 0.21 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1s97 h GLU 134 CO -0.02 0.04 -1.22 0.87 -0.73 0.00 0.00 179.01 177.95 1s97 h LYS 135 N -0.29 0.04 0.00 1.92 1.57 -1.19 -3.40 116.57 115.22 1s97 h LYS 135 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1s97 h LYS 135 Cb 0.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1s97 h LYS 135 CO 0.02 0.92 0.00 0.39 -0.57 0.00 0.00 179.45 180.21 1s97 n GLU 136 N -3.31 3.43 -2.91 3.15 -0.58 0.35 -5.01 120.64 115.78 1s97 n GLU 136 Ca -0.06 -0.19 -0.22 0.00 -0.42 0.00 0.00 57.16 56.28 1s97 n GLU 136 Cb 0.98 -0.66 0.02 0.00 -0.57 0.00 0.00 31.44 31.21 1s97 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s97 n LYS 137 N -0.54 -4.11 -4.72 3.49 4.76 -0.47 -4.98 118.16 111.59 1s97 n LYS 137 Ca 0.00 0.90 -0.33 0.00 -2.87 0.00 0.00 58.31 56.01 1s97 n LYS 137 Cb 0.01 -5.71 -0.14 0.00 -1.84 0.00 0.00 35.03 27.35 1s97 n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1s97 s ILE 138 N -3.12 3.14 0.13 -0.18 -1.09 -1.25 -4.91 121.20 113.91 1s97 s ILE 138 Ca 0.24 -0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.92 1s97 s ILE 138 Cb -0.11 -2.33 -0.06 0.00 -1.58 0.00 0.00 42.46 38.38 1s97 s ILE 138 CO 0.30 0.52 0.49 0.42 -1.23 0.00 0.00 174.94 175.43 1s97 s THR 139 N 0.38 4.97 0.12 2.92 -4.23 -1.26 -3.60 115.64 114.94 1s97 s THR 139 Ca -0.10 0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 61.02 1s97 s THR 139 Cb -0.16 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1s97 s THR 139 CO 0.05 0.22 0.03 0.68 -0.54 0.00 0.00 174.62 175.06 1s97 s VAL 140 N -1.49 0.20 -0.08 2.29 -7.23 -1.26 -2.35 120.40 110.48 1s97 s VAL 140 Ca 0.37 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1s97 s VAL 140 Cb -0.14 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 1s97 s VAL 140 CO 0.19 -0.57 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.40 1s97 s THR 141 N -3.97 3.23 -0.14 5.32 2.01 -0.27 -3.80 115.64 118.01 1s97 s THR 141 Ca 0.21 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 1s97 s THR 141 Cb 0.07 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1s97 s THR 141 CO -0.00 0.57 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1s97 s VAL 142 N -0.43 3.64 -0.01 3.82 1.01 -0.31 -1.79 120.40 126.34 1s97 s VAL 142 Ca 0.05 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1s97 s VAL 142 Cb -0.12 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1s97 s VAL 142 CO 0.02 0.51 -0.18 -0.83 0.00 0.00 0.00 175.10 174.63 1s97 s GLY 143 N 0.25 1.50 -0.04 4.51 0.00 -0.04 -1.97 107.32 111.53 1s97 s GLY 143 Ca -0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 1s97 s GLY 143 CO 0.04 -0.91 0.07 -0.42 0.00 0.00 0.00 173.10 171.88 1s97 s ILE 144 N -0.78 -0.06 0.04 0.90 1.01 -0.77 -0.05 121.20 121.49 1s97 s ILE 144 Ca 0.12 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1s97 s ILE 144 Cb -0.10 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.24 1s97 s ILE 144 CO 0.02 0.09 0.21 -0.24 0.00 0.00 0.00 174.94 175.02 1s97 n SER 145 N 4.28 -0.38 0.06 3.58 2.88 -0.94 -1.07 113.62 122.04 1s97 n SER 145 Ca -0.26 -1.21 0.11 0.00 -1.33 0.00 0.00 58.87 56.18 1s97 n SER 145 Cb 0.50 0.62 0.44 0.00 -0.75 0.00 0.00 64.21 65.02 1s97 n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1s97 n LYS 146 N -0.14 0.12 -3.56 -1.46 2.85 -1.26 -1.19 118.16 113.51 1s97 n LYS 146 Ca -0.01 0.26 -0.11 0.00 -1.05 0.00 0.00 58.31 57.41 1s97 n LYS 146 Cb 0.12 -1.69 -0.03 0.00 -0.65 0.00 0.00 35.03 32.78 1s97 n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s97 s ASN 147 N -3.72 -0.40 0.20 -5.58 2.20 -1.26 -4.66 114.94 101.72 1s97 s ASN 147 Ca 0.08 -0.21 -0.16 0.00 -0.94 0.00 0.00 52.86 51.63 1s97 s ASN 147 Cb 0.12 0.56 0.18 0.00 -2.00 0.00 0.00 41.25 40.11 1s97 s ASN 147 CO 0.42 -0.96 1.62 0.11 -2.94 0.00 0.00 177.10 175.35 1s97 h LYS 148 N 2.15 -0.06 -0.18 3.55 1.57 -1.89 0.08 116.57 121.79 1s97 h LYS 148 Ca -0.32 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1s97 h LYS 148 Cb 1.28 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 1s97 h LYS 148 CO 0.40 -0.04 -0.14 0.28 -0.57 0.00 0.00 179.45 179.38 1s97 h VAL 149 N -0.06 0.61 0.00 0.50 2.07 -1.97 0.39 116.25 117.78 1s97 h VAL 149 Ca 0.26 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.74 1s97 h VAL 149 Cb 0.47 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1s97 h VAL 149 CO -0.61 0.00 -0.18 -0.26 0.02 0.00 0.00 177.57 176.54 1s97 h PHE 150 N -0.14 0.00 -0.27 1.57 0.04 -1.87 -0.71 116.94 115.56 1s97 h PHE 150 Ca 0.11 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 1s97 h PHE 150 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1s97 h PHE 150 CO -0.28 0.18 -0.06 0.00 -0.60 0.00 0.00 178.31 177.55 1s97 h ALA 151 N 1.82 0.37 -0.20 2.45 0.00 -0.02 -1.32 119.26 122.35 1s97 h ALA 151 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1s97 h ALA 151 Cb 0.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1s97 h ALA 151 CO 0.02 0.18 0.05 -0.22 0.00 0.00 0.00 179.25 179.27 1s97 h LYS 152 N 0.27 0.32 -0.85 0.00 3.64 -0.62 -2.55 116.57 116.79 1s97 h LYS 152 Ca 0.07 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1s97 h LYS 152 Cb 0.53 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 1s97 h LYS 152 CO 0.03 0.46 0.55 0.82 -2.27 0.00 0.00 179.45 179.03 1s97 h ILE 153 N 0.14 0.91 0.38 2.00 2.04 -1.05 -1.16 117.51 120.77 1s97 h ILE 153 Ca 0.06 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1s97 h ILE 153 Cb 0.28 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1s97 h ILE 153 CO 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 178.15 178.10 1s97 h ALA 154 N 1.59 -0.51 -0.76 1.87 0.00 -0.93 -2.46 119.26 118.07 1s97 h ALA 154 Ca 0.41 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1s97 h ALA 154 Cb 0.55 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1s97 h ALA 154 CO -0.17 -0.77 0.50 0.00 0.00 0.00 0.00 179.25 178.81 1s97 h ALA 155 N 0.06 1.93 0.00 0.00 0.00 -0.85 0.12 119.26 120.52 1s97 h ALA 155 Ca -0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1s97 h ALA 155 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1s97 h ALA 155 CO 0.09 -0.11 -0.28 -0.44 0.00 0.00 0.00 179.25 178.50 1s97 h ASP 156 N 0.56 0.00 0.67 0.00 3.32 -0.97 -1.92 116.42 118.09 1s97 h ASP 156 Ca 0.36 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.15 1s97 h ASP 156 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1s97 h ASP 156 CO -0.13 0.28 -1.27 0.24 -1.72 0.00 0.00 179.24 176.64 1s97 h MET 157 N 0.00 0.19 0.00 3.56 2.86 -0.34 -3.35 114.93 117.85 1s97 h MET 157 Ca -0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1s97 h MET 157 Cb 0.61 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1s97 h MET 157 CO 0.04 1.11 -0.41 0.00 1.06 0.00 0.00 176.91 178.70 1s97 h ALA 158 N 0.68 0.78 -2.40 6.32 0.00 -1.05 -3.48 119.26 120.12 1s97 h ALA 158 Ca -0.14 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.19 1s97 h ALA 158 Cb 1.94 0.00 0.13 0.00 0.00 0.00 0.00 17.79 19.85 1s97 h ALA 158 CO 0.17 0.00 0.21 1.63 0.00 0.00 0.00 179.25 181.26 1s97 n LYS 159 N -2.76 1.46 -2.79 0.00 5.02 -0.74 -3.57 118.16 114.79 1s97 n LYS 159 Ca 0.03 0.52 -0.22 0.00 -2.02 0.00 0.00 58.31 56.62 1s97 n LYS 159 Cb 0.52 -2.07 0.08 0.00 -0.02 0.00 0.00 35.03 33.54 1s97 n LYS 159 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1s97 s PRO 160 N -1.96 2.02 -0.94 1.97 0.04 -1.26 -4.91 135.00 129.96 1s97 s PRO 160 Ca 0.62 -1.32 -0.03 0.00 0.04 0.00 0.00 61.00 60.31 1s97 s PRO 160 Cb -0.57 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1s97 s PRO 160 CO 0.58 -1.12 0.05 -1.71 0.04 0.00 0.00 177.00 174.83 1s97 n ASN 161 N -2.53 0.24 -2.65 6.66 4.05 -1.26 -4.87 115.26 114.90 1s97 n ASN 161 Ca 0.15 -0.80 -0.09 0.00 0.45 0.00 0.00 54.58 54.28 1s97 n ASN 161 Cb 0.61 -0.99 -0.02 0.00 1.23 0.00 0.00 39.78 40.60 1s97 n ASN 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s97 n GLY 162 N -1.96 3.95 3.64 8.20 0.00 -1.23 -4.95 105.19 112.84 1s97 n GLY 162 Ca -0.19 -2.18 -0.07 0.00 0.00 0.00 0.00 46.02 43.58 1s97 n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s97 s ILE 163 N -1.70 0.00 -0.02 -0.61 2.07 -1.26 -1.16 121.20 118.52 1s97 s ILE 163 Ca 0.02 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.05 1s97 s ILE 163 Cb 0.00 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.63 1s97 s ILE 163 CO 0.01 0.00 0.44 -0.75 -1.91 0.00 0.00 174.94 172.74 1s97 s LYS 164 N 1.03 0.82 -0.04 3.50 2.20 -0.83 -4.95 119.74 121.47 1s97 s LYS 164 Ca -0.05 -0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 1s97 s LYS 164 Cb -0.05 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1s97 s LYS 164 CO -0.12 -0.24 -0.25 0.08 -0.36 0.00 0.00 175.35 174.46 1s97 s VAL 165 N -1.36 2.10 -0.41 4.02 1.01 -1.26 -1.85 120.40 122.64 1s97 s VAL 165 Ca -0.12 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.80 1s97 s VAL 165 Cb -0.03 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.72 1s97 s VAL 165 CO 0.06 0.57 0.17 -0.63 0.00 0.00 0.00 175.10 175.27 1s97 s ILE 166 N -0.37 2.84 0.88 2.22 1.01 -0.23 -4.99 121.20 122.56 1s97 s ILE 166 Ca 0.03 -2.41 -0.12 0.00 0.00 0.00 0.00 60.65 58.15 1s97 s ILE 166 Cb -0.12 -2.99 0.12 0.00 0.01 0.00 0.00 42.46 39.48 1s97 s ILE 166 CO 0.02 -0.68 1.11 1.51 0.00 0.00 0.00 174.94 176.89 1s97 s ASP 167 N 1.10 3.71 0.39 3.58 3.84 -1.26 -4.36 116.67 123.66 1s97 s ASP 167 Ca 0.11 1.19 0.21 0.00 -0.00 0.00 0.00 52.55 54.06 1s97 s ASP 167 Cb -0.21 -1.85 1.22 0.00 -1.38 0.00 0.00 42.92 40.69 1s97 s ASP 167 CO -0.05 -2.45 1.67 0.44 -0.00 0.00 0.00 175.17 174.77 1s97 h ASP 168 N -1.42 0.40 0.62 2.11 5.19 -1.99 -0.08 116.42 121.24 1s97 h ASP 168 Ca -0.50 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.04 1s97 h ASP 168 Cb 1.30 0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.93 1s97 h ASP 168 CO 0.59 -0.12 -0.30 -0.33 -3.12 0.00 0.00 179.24 175.96 1s97 h GLU 169 N 0.24 -0.80 -0.69 3.56 4.39 -2.01 -2.94 114.58 116.33 1s97 h GLU 169 Ca 0.74 0.05 0.14 0.00 0.34 0.00 0.00 59.36 60.63 1s97 h GLU 169 Cb 1.97 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 30.76 1s97 h GLU 169 CO -0.49 -0.53 0.46 1.49 -1.16 0.00 0.00 179.01 178.78 1s97 h GLU 170 N -0.87 0.34 -0.56 2.33 4.81 -1.50 -0.79 114.58 118.35 1s97 h GLU 170 Ca -0.09 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1s97 h GLU 170 Cb 0.64 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1s97 h GLU 170 CO 0.14 0.22 0.30 0.28 -0.73 0.00 0.00 179.01 179.22 1s97 h VAL 171 N 0.35 0.97 -0.68 0.32 2.07 -0.98 0.35 116.25 118.65 1s97 h VAL 171 Ca 0.33 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1s97 h VAL 171 Cb 0.81 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1s97 h VAL 171 CO -0.09 0.10 0.23 0.11 0.02 0.00 0.00 177.57 177.94 1s97 h LYS 172 N 0.57 1.04 -0.02 1.57 1.57 -0.98 -0.01 116.57 120.32 1s97 h LYS 172 Ca 0.24 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1s97 h LYS 172 Cb 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1s97 h LYS 172 CO -0.16 0.88 0.01 -0.09 -0.57 0.00 0.00 179.45 179.52 1s97 h ARG 173 N 1.00 0.03 -0.54 3.15 2.43 -0.86 -2.78 114.38 116.81 1s97 h ARG 173 Ca 0.22 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1s97 h ARG 173 Cb 0.26 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1s97 h ARG 173 CO -0.01 0.12 0.18 -0.07 -1.51 0.00 0.00 179.97 178.68 1s97 h LEU 174 N -0.07 0.74 -1.75 3.80 3.38 -0.07 0.15 115.31 121.48 1s97 h LEU 174 Ca 0.01 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1s97 h LEU 174 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1s97 h LEU 174 CO -0.00 0.69 0.27 0.40 0.09 0.00 0.00 178.44 179.89 1s97 h ILE 175 N 0.79 0.96 0.11 1.22 2.04 -0.77 0.12 117.51 121.98 1s97 h ILE 175 Ca 0.18 -0.11 -0.33 0.00 1.00 0.00 0.00 64.86 65.60 1s97 h ILE 175 Cb 0.22 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1s97 h ILE 175 CO -0.01 0.06 -1.79 0.03 0.00 0.00 0.00 178.15 176.43 1s97 h ARG 176 N 0.31 0.23 0.06 2.37 3.08 -1.08 -1.59 114.38 117.76 1s97 h ARG 176 Ca 0.17 -0.39 -0.31 0.00 0.07 0.00 0.00 59.98 59.52 1s97 h ARG 176 Cb 0.30 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1s97 h ARG 176 CO -0.04 1.19 -1.69 0.39 -1.07 0.00 0.00 179.97 178.76 1s97 n GLU 177 N -3.70 0.65 -1.62 0.04 1.02 0.44 -4.81 120.64 112.67 1s97 n GLU 177 Ca -0.31 0.41 -0.54 0.00 -0.02 0.00 0.00 57.16 56.71 1s97 n GLU 177 Cb 0.97 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 1s97 n GLU 177 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1s97 n LEU 178 N -3.97 1.79 -4.63 -4.62 7.94 0.41 -4.85 117.00 109.06 1s97 n LEU 178 Ca -0.34 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.25 1s97 n LEU 178 Cb 0.86 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.61 1s97 n LEU 178 CO 0.29 -0.92 1.56 -0.62 -1.11 0.00 0.00 177.39 176.59 1s97 s ASP 179 N 1.22 6.18 0.63 1.96 -1.08 -1.26 -4.25 116.67 120.06 1s97 s ASP 179 Ca 0.88 2.01 0.26 0.00 -0.52 0.00 0.00 52.55 55.18 1s97 s ASP 179 Cb -0.99 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 39.27 1s97 s ASP 179 CO 0.52 -1.36 1.75 -0.29 0.52 0.00 0.00 175.17 176.30 1s97 h ILE 180 N 6.23 0.16 0.00 4.11 2.10 -1.64 0.52 117.51 128.99 1s97 h ILE 180 Ca -0.40 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1s97 h ILE 180 Cb 1.20 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 1s97 h ILE 180 CO 0.97 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.04 1s97 n ALA 181 N -2.09 1.59 0.98 0.18 0.00 -1.26 -1.78 120.51 118.13 1s97 n ALA 181 Ca 0.06 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1s97 n ALA 181 Cb 0.69 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 19.10 1s97 n ALA 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s97 n ASP 182 N -2.17 2.25 -4.65 0.00 8.00 0.18 -4.77 116.55 115.39 1s97 n ASP 182 Ca 0.02 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 1s97 n ASP 182 Cb 0.20 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1s97 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s97 s VAL 183 N -1.75 4.78 -0.04 2.53 1.01 -0.73 -4.97 120.40 121.23 1s97 s VAL 183 Ca 0.34 1.75 -0.40 0.00 0.00 0.00 0.00 61.98 63.67 1s97 s VAL 183 Cb 0.19 -4.19 -0.19 0.00 0.00 0.00 0.00 36.38 32.19 1s97 s VAL 183 CO 0.29 -0.10 1.23 -2.65 0.00 0.00 0.00 175.10 173.86 1s97 n PRO 184 N 6.04 0.37 -0.07 2.72 -0.02 -1.26 -1.55 135.00 141.23 1s97 n PRO 184 Ca 0.08 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1s97 n PRO 184 Cb 0.47 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1s97 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s97 n GLY 185 N 2.15 0.65 3.09 -1.23 0.00 -1.26 -5.06 105.19 103.54 1s97 n GLY 185 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1s97 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 186 N -2.10 2.48 0.58 -0.61 -1.09 -0.59 -5.04 121.20 114.82 1s97 s ILE 186 Ca 0.00 -1.76 0.05 0.00 -2.23 0.00 0.00 60.65 56.72 1s97 s ILE 186 Cb 0.00 -2.55 0.10 0.00 -1.58 0.00 0.00 42.46 38.44 1s97 s ILE 186 CO 0.00 -0.22 0.79 0.61 -1.23 0.00 0.00 174.94 174.90 1s97 n GLY 187 N 4.45 1.48 0.22 6.18 0.00 -1.26 -4.77 105.19 111.49 1s97 n GLY 187 Ca -0.09 -2.15 -0.03 0.00 0.00 0.00 0.00 46.02 43.76 1s97 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s97 h ASN 188 N -0.14 -0.52 -0.09 1.61 -0.26 -1.98 0.67 115.58 114.85 1s97 h ASN 188 Ca -0.27 0.16 0.04 0.00 -0.56 0.00 0.00 56.30 55.68 1s97 h ASN 188 Cb 1.12 0.34 -0.05 0.00 -1.06 0.00 0.00 38.32 38.67 1s97 h ASN 188 CO 0.34 -0.18 -0.24 0.40 -1.06 0.00 0.00 177.43 176.68 1s97 h ILE 189 N -0.01 0.42 -0.28 2.81 2.04 -2.00 -0.89 117.51 119.60 1s97 h ILE 189 Ca 0.25 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.01 1s97 h ILE 189 Cb 0.40 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1s97 h ILE 189 CO -0.55 0.00 -0.25 0.74 0.00 0.00 0.00 178.15 178.09 1s97 h THR 190 N -0.33 1.27 -0.21 -0.27 2.02 -1.80 -2.65 112.91 110.95 1s97 h THR 190 Ca 0.09 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1s97 h THR 190 Cb 0.46 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1s97 h THR 190 CO -0.28 0.41 0.11 0.00 0.37 0.00 0.00 175.52 176.13 1s97 h ALA 191 N 1.26 0.26 -0.81 6.16 0.00 -0.39 -2.32 119.26 123.43 1s97 h ALA 191 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1s97 h ALA 191 Cb 0.68 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1s97 h ALA 191 CO 0.05 -0.21 0.34 0.93 0.00 0.00 0.00 179.25 180.36 1s97 h GLU 192 N 0.23 1.21 0.00 0.00 4.39 -1.12 0.20 114.58 119.48 1s97 h GLU 192 Ca 0.07 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1s97 h GLU 192 Cb 0.06 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1s97 h GLU 192 CO -0.01 0.96 0.00 0.87 -1.16 0.00 0.00 179.01 179.67 1s97 h LYS 193 N 1.18 0.00 0.03 2.33 1.57 -1.17 -2.69 116.57 117.81 1s97 h LYS 193 Ca 0.27 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 1s97 h LYS 193 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1s97 h LYS 193 CO -0.02 0.00 -1.18 -0.07 -0.57 0.00 0.00 179.45 177.60 1s97 h LEU 194 N 0.00 0.09 -0.94 2.94 3.38 -0.45 -3.30 115.31 117.03 1s97 h LEU 194 Ca 0.00 -0.66 0.16 0.00 0.09 0.00 0.00 57.88 57.47 1s97 h LEU 194 Cb 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 1s97 h LEU 194 CO 0.00 1.48 0.54 0.11 0.09 0.00 0.00 178.44 180.66 1s97 h LYS 195 N -0.81 0.72 0.00 1.13 1.57 -1.06 0.67 116.57 118.79 1s97 h LYS 195 Ca -0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1s97 h LYS 195 Cb 1.39 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1s97 h LYS 195 CO -0.12 0.48 0.00 -0.22 -0.57 0.00 0.00 179.45 179.01 1s97 h LYS 196 N 0.74 0.00 -0.03 3.15 3.64 -1.64 -0.91 116.57 121.51 1s97 h LYS 196 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1s97 h LYS 196 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1s97 h LYS 196 CO -0.35 0.00 0.00 -0.11 -2.27 0.00 0.00 179.45 176.72 1s97 n LEU 197 N -2.51 2.55 -1.28 5.20 0.00 0.22 -4.97 117.00 116.21 1s97 n LEU 197 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 56.01 54.92 1s97 n LEU 197 Cb 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 43.42 43.62 1s97 n LEU 197 CO 0.19 0.45 0.03 0.61 0.00 0.00 0.00 177.39 178.67 1s97 n GLY 198 N 1.03 0.38 2.91 -3.96 0.00 -0.19 -5.03 105.19 100.33 1s97 n GLY 198 Ca 0.11 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1s97 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 199 N -2.89 1.45 0.00 -0.61 1.01 -0.63 -4.95 121.20 114.58 1s97 s ILE 199 Ca 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1s97 s ILE 199 Cb -0.06 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1s97 s ILE 199 CO 0.17 -0.22 0.21 0.59 0.00 0.00 0.00 174.94 175.68 1s97 n ASN 200 N 4.68 0.42 -4.03 3.58 4.13 -1.26 -3.76 115.26 119.02 1s97 n ASN 200 Ca -0.09 -0.71 -0.10 0.00 1.68 0.00 0.00 54.58 55.36 1s97 n ASN 200 Cb 0.44 0.42 -0.11 0.00 -1.54 0.00 0.00 39.78 38.99 1s97 n ASN 200 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1s97 s LYS 201 N -0.42 0.45 0.35 3.52 -0.14 -1.26 -1.65 119.74 120.58 1s97 s LYS 201 Ca 0.00 -0.79 0.11 0.00 -1.36 0.00 0.00 55.97 53.92 1s97 s LYS 201 Cb 0.00 -0.00 0.88 0.00 -1.68 0.00 0.00 37.83 37.03 1s97 s LYS 201 CO 0.00 -0.03 1.80 -0.07 -0.76 0.00 0.00 175.35 176.29 1s97 h LEU 202 N 4.26 0.64 -0.57 3.17 3.38 -1.71 -1.43 115.31 123.06 1s97 h LEU 202 Ca -0.34 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1s97 h LEU 202 Cb 1.19 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1s97 h LEU 202 CO 0.46 0.23 0.35 -0.37 0.09 0.00 0.00 178.44 179.20 1s97 h VAL 203 N 0.62 1.08 0.00 1.22 -1.51 -1.61 -2.60 116.25 113.45 1s97 h VAL 203 Ca 0.55 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1s97 h VAL 203 Cb 1.05 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1s97 h VAL 203 CO -0.31 0.13 0.29 0.47 -1.23 0.00 0.00 177.57 176.92 1s97 n ASP 204 N -4.74 0.25 0.07 4.19 8.00 -0.54 -0.05 116.55 123.73 1s97 n ASP 204 Ca 0.05 0.48 0.13 0.00 0.71 0.00 0.00 54.79 56.16 1s97 n ASP 204 Cb 0.07 -0.44 0.47 0.00 -0.02 0.00 0.00 41.12 41.20 1s97 n ASP 204 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1s97 n THR 205 N -1.87 0.38 1.08 -3.53 -2.24 -0.98 -3.07 114.28 104.05 1s97 n THR 205 Ca -0.01 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1s97 n THR 205 Cb 0.31 -0.53 0.30 0.00 -2.10 0.00 0.00 70.33 68.30 1s97 n THR 205 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s97 n LEU 206 N -1.98 0.67 -0.89 3.22 4.77 0.93 -3.99 117.00 119.73 1s97 n LEU 206 Ca 0.06 -0.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1s97 n LEU 206 Cb 0.40 -0.21 0.18 0.00 -2.33 0.00 0.00 43.42 41.46 1s97 n LEU 206 CO 0.29 0.15 0.64 -1.54 -1.33 0.00 0.00 177.39 175.60 1s97 n SER 207 N -1.22 3.08 -4.15 -1.43 3.41 -1.17 -4.96 113.62 107.18 1s97 n SER 207 Ca 0.08 -1.90 -0.24 0.00 -0.26 0.00 0.00 58.87 56.54 1s97 n SER 207 Cb 0.34 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 1s97 n SER 207 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1s97 s ILE 208 N -1.16 1.31 0.16 -1.33 2.07 -1.26 -5.10 121.20 115.90 1s97 s ILE 208 Ca 0.30 -0.70 -0.34 0.00 -1.41 0.00 0.00 60.65 58.50 1s97 s ILE 208 Cb 0.17 -1.10 -0.14 0.00 0.13 0.00 0.00 42.46 41.52 1s97 s ILE 208 CO 0.23 0.37 1.46 -1.84 -1.91 0.00 0.00 174.94 173.26 1s97 n GLU 209 N 2.72 1.84 -0.29 3.50 0.28 -1.26 -4.89 120.64 122.55 1s97 n GLU 209 Ca -0.15 0.66 -0.12 0.00 -0.16 0.00 0.00 57.16 57.39 1s97 n GLU 209 Cb 0.54 -2.36 -0.10 0.00 1.43 0.00 0.00 31.44 30.95 1s97 n GLU 209 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1s97 h PHE 210 N 5.08 -1.80 -1.01 -1.84 3.57 -1.99 -1.01 116.94 117.94 1s97 h PHE 210 Ca -0.45 0.11 0.27 0.00 3.53 0.00 0.00 57.97 61.42 1s97 h PHE 210 Cb 1.28 0.88 -0.07 0.00 2.79 0.00 0.00 35.95 40.84 1s97 h PHE 210 CO 0.60 -0.43 0.69 -0.44 -2.23 0.00 0.00 178.31 176.50 1s97 h ASP 211 N -0.18 0.26 -0.62 0.41 5.19 -1.95 0.26 116.42 119.77 1s97 h ASP 211 Ca 0.12 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.53 1s97 h ASP 211 Cb 0.50 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1s97 h ASP 211 CO -0.78 0.07 0.23 0.11 -3.12 0.00 0.00 179.24 175.74 1s97 h LYS 212 N 0.23 0.97 0.00 3.56 1.57 -1.54 -0.23 116.57 121.14 1s97 h LYS 212 Ca 0.53 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1s97 h LYS 212 Cb 1.64 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.79 1s97 h LYS 212 CO -0.15 0.82 -0.15 1.25 -0.57 0.00 0.00 179.45 180.64 1s97 h LEU 213 N 0.95 0.00 -0.33 2.94 5.85 -0.68 -3.02 115.31 121.02 1s97 h LEU 213 Ca 0.22 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1s97 h LEU 213 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1s97 h LEU 213 CO -0.01 0.93 0.06 1.17 -0.34 0.00 0.00 178.44 180.24 1s97 n LYS 214 N -4.63 0.03 -0.00 1.25 3.00 0.60 0.16 118.16 118.56 1s97 n LYS 214 Ca -0.10 0.49 0.09 0.00 -0.00 0.00 0.00 58.31 58.80 1s97 n LYS 214 Cb 0.38 -1.66 -0.13 0.00 0.00 0.00 0.00 35.03 33.62 1s97 n LYS 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s97 n GLY 215 N -1.41 -0.86 0.13 3.14 0.00 -0.10 -3.01 105.19 103.08 1s97 n GLY 215 Ca -0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 1s97 n GLY 215 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s97 n MET 216 N -1.83 0.64 0.00 1.61 2.81 0.12 -4.68 117.12 115.79 1s97 n MET 216 Ca -0.00 0.25 0.02 0.00 -1.81 0.00 0.00 57.70 56.15 1s97 n MET 216 Cb 0.41 -1.57 0.01 0.00 -0.71 0.00 0.00 33.22 31.36 1s97 n MET 216 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1s97 n ILE 217 N -3.70 0.00 0.00 2.02 -5.35 -0.08 -5.05 119.36 107.20 1s97 n ILE 217 Ca -0.44 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 1s97 n ILE 217 Cb 0.94 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.91 1s97 n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s97 n GLY 218 N 0.34 1.41 0.18 3.28 0.00 -1.16 -4.51 105.19 104.72 1s97 n GLY 218 Ca 0.02 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 1s97 n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s97 h GLU 219 N 0.00 0.30 0.24 1.61 4.81 -1.88 -2.01 114.58 117.64 1s97 h GLU 219 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1s97 h GLU 219 Cb 0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1s97 h GLU 219 CO 0.00 0.20 -0.23 0.00 -0.73 0.00 0.00 179.01 178.24 1s97 h ALA 220 N 1.28 -0.48 0.00 2.92 0.00 -1.94 -0.07 119.26 120.97 1s97 h ALA 220 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1s97 h ALA 220 Cb 0.19 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1s97 h ALA 220 CO -0.21 -0.80 -0.12 0.87 0.00 0.00 0.00 179.25 178.99 1s97 h LYS 221 N -0.50 0.00 0.38 0.00 1.57 -1.78 -0.71 116.57 115.53 1s97 h LYS 221 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1s97 h LYS 221 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1s97 h LYS 221 CO -0.05 0.12 -0.18 0.00 -0.57 0.00 0.00 179.45 178.77 1s97 h ALA 222 N 1.88 -0.60 -0.33 3.86 0.00 -0.79 -1.83 119.26 121.45 1s97 h ALA 222 Ca -0.00 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1s97 h ALA 222 Cb 0.41 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1s97 h ALA 222 CO 0.02 -0.56 0.33 0.87 0.00 0.00 0.00 179.25 179.91 1s97 h LYS 223 N -0.94 0.00 0.28 0.00 1.57 -0.92 -0.75 116.57 115.81 1s97 h LYS 223 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1s97 h LYS 223 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1s97 h LYS 223 CO 0.09 0.00 -0.13 -0.92 -0.57 0.00 0.00 179.45 177.91 1s97 h TYR 224 N 0.00 -0.35 -0.23 -1.35 3.20 -1.04 -2.27 116.97 114.94 1s97 h TYR 224 Ca 0.16 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1s97 h TYR 224 Cb 0.82 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1s97 h TYR 224 CO 0.00 0.01 0.07 -0.07 -1.64 0.00 0.00 178.16 176.53 1s97 h LEU 225 N -0.88 0.34 -0.18 2.82 3.38 -0.64 -2.41 115.31 117.74 1s97 h LEU 225 Ca -0.04 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1s97 h LEU 225 Cb 0.51 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1s97 h LEU 225 CO 0.06 0.45 -0.15 0.40 0.09 0.00 0.00 178.44 179.29 1s97 h ILE 226 N 0.20 0.58 -1.01 1.22 2.04 -1.27 0.31 117.51 119.59 1s97 h ILE 226 Ca 0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1s97 h ILE 226 Cb 0.24 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1s97 h ILE 226 CO -0.00 0.00 0.64 0.77 0.00 0.00 0.00 178.15 179.56 1s97 h SER 227 N -0.16 0.98 -0.29 1.72 4.64 -1.33 0.18 113.55 119.28 1s97 h SER 227 Ca 0.11 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1s97 h SER 227 Cb 0.33 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1s97 h SER 227 CO -0.28 0.56 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.14 1s97 h LEU 228 N 1.07 0.54 -0.69 5.97 3.38 -0.76 0.30 115.31 125.13 1s97 h LEU 228 Ca 0.47 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s97 h LEU 228 Cb 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1s97 h LEU 228 CO -0.23 0.76 0.44 0.00 0.09 0.00 0.00 178.44 179.49 1s97 h ALA 229 N 0.80 0.88 0.00 1.53 0.00 0.74 -0.92 119.26 122.29 1s97 h ALA 229 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s97 h ALA 229 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s97 h ALA 229 CO 0.02 0.33 0.00 0.54 0.00 0.00 0.00 179.25 180.15 1s97 n ARG 230 N -4.57 0.81 -3.49 0.00 1.74 0.51 -4.88 116.66 106.78 1s97 n ARG 230 Ca 0.06 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.96 1s97 n ARG 230 Cb 0.04 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.06 1s97 n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s97 n ASP 231 N -1.02 -1.88 0.00 0.55 -0.08 -0.35 -4.92 116.55 108.85 1s97 n ASP 231 Ca 0.20 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.81 1s97 n ASP 231 Cb 0.10 -4.88 0.00 0.00 2.34 0.00 0.00 41.12 38.68 1s97 n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1s97 n GLU 232 N -4.15 -0.63 -1.94 -0.67 1.02 0.10 -5.03 120.64 109.34 1s97 n GLU 232 Ca -0.29 -0.41 -0.42 0.00 -0.02 0.00 0.00 57.16 56.02 1s97 n GLU 232 Cb 0.67 -0.88 -0.03 0.00 -0.02 0.00 0.00 31.44 31.19 1s97 n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1s97 s TYR 233 N -0.03 2.80 0.00 -0.32 5.04 -1.04 -4.89 117.35 118.92 1s97 s TYR 233 Ca 0.00 0.51 0.13 0.00 -2.44 0.00 0.00 57.07 55.27 1s97 s TYR 233 Cb 0.00 -3.93 0.21 0.00 0.35 0.00 0.00 41.96 38.59 1s97 s TYR 233 CO 0.00 -3.56 1.05 0.27 -1.34 0.00 0.00 175.55 171.97 1s97 n ASN 234 N 4.65 0.13 -4.65 4.32 2.04 -1.26 -4.79 115.26 115.70 1s97 n ASN 234 Ca 0.15 -1.93 -0.51 0.00 -0.44 0.00 0.00 54.58 51.84 1s97 n ASN 234 Cb 0.40 -0.06 -0.06 0.00 -2.53 0.00 0.00 39.78 37.53 1s97 n ASN 234 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1s97 n GLU 235 N 0.24 1.58 -1.28 -3.83 -0.58 -1.26 -4.92 120.64 110.59 1s97 n GLU 235 Ca -0.07 0.57 -0.31 0.00 -0.42 0.00 0.00 57.16 56.93 1s97 n GLU 235 Cb 0.91 -2.29 0.09 0.00 -0.57 0.00 0.00 31.44 29.57 1s97 n GLU 235 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1s97 s PRO 236 N 1.89 2.27 -0.26 3.49 0.04 -1.26 -4.71 135.00 136.46 1s97 s PRO 236 Ca 0.88 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1s97 s PRO 236 Cb -0.87 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 31.79 1s97 s PRO 236 CO 0.50 -1.64 1.05 0.42 0.04 0.00 0.00 177.00 177.37 1s97 s ILE 237 N -2.85 4.62 -0.12 0.56 1.09 -1.26 -5.01 121.20 118.21 1s97 s ILE 237 Ca 0.62 1.92 -0.01 0.00 -1.10 0.00 0.00 60.65 62.08 1s97 s ILE 237 Cb -0.18 -4.35 -0.02 0.00 -1.06 0.00 0.00 42.46 36.85 1s97 s ILE 237 CO 0.55 -0.29 -0.09 -0.13 -0.10 0.00 0.00 174.94 174.88 1s97 s ARG 238 N 3.37 3.32 0.03 2.79 0.52 -1.26 -4.82 118.95 122.90 1s97 s ARG 238 Ca 0.45 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 1s97 s ARG 238 Cb -0.14 -2.71 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 1s97 s ARG 238 CO 0.09 0.33 1.87 -0.08 0.02 0.00 0.00 175.30 177.53 1s97 s THR 239 N 0.08 3.07 0.21 0.02 -1.32 -1.25 -4.38 115.64 112.07 1s97 s THR 239 Ca -0.03 0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 60.35 1s97 s THR 239 Cb -0.14 -3.13 -0.09 0.00 -1.51 0.00 0.00 72.50 67.64 1s97 s THR 239 CO 0.04 -0.01 1.24 -0.60 -2.21 0.00 0.00 174.62 173.07 1s97 s ARG 240 N 4.04 4.45 -0.21 7.08 6.06 -1.26 -5.03 118.95 134.08 1s97 s ARG 240 Ca 0.83 1.97 0.01 0.00 -2.50 0.00 0.00 55.73 56.04 1s97 s ARG 240 Cb -0.41 -3.20 0.05 0.00 0.06 0.00 0.00 34.95 31.44 1s97 s ARG 240 CO 0.38 -0.14 -0.08 0.08 -2.50 0.00 0.00 175.30 173.04 1s97 s VAL 241 N -0.17 1.53 0.13 7.11 1.01 -1.26 -4.98 120.40 123.77 1s97 s VAL 241 Ca 0.53 -1.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.15 1s97 s VAL 241 Cb -0.35 -1.68 -0.14 0.00 0.00 0.00 0.00 36.38 34.22 1s97 s VAL 241 CO 0.39 0.08 1.60 -1.14 0.00 0.00 0.00 175.10 176.03 1s97 n ARG 242 N 4.71 2.12 -0.01 2.72 3.00 -1.26 -4.87 116.66 123.06 1s97 n ARG 242 Ca -0.13 0.77 0.08 0.00 -0.00 0.00 0.00 57.85 58.56 1s97 n ARG 242 Cb 0.46 -2.54 -0.14 0.00 0.00 0.00 0.00 32.46 30.24 1s97 n ARG 242 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1s97 n LYS 243 N 3.76 0.59 -3.72 -0.14 5.02 -1.26 -5.00 118.16 117.41 1s97 n LYS 243 Ca 0.18 -0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 1s97 n LYS 243 Cb 0.28 -1.42 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 1s97 n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1s97 s SER 244 N -4.11 -0.19 -0.09 4.39 1.04 -1.26 -3.62 113.70 109.87 1s97 s SER 244 Ca -0.07 -0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 1s97 s SER 244 Cb 0.11 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.65 1s97 s SER 244 CO 0.73 -0.62 0.19 -0.63 0.98 0.00 0.00 173.24 173.89 1s97 s ILE 245 N -2.45 -0.09 0.00 -1.02 1.01 -0.01 -4.97 121.20 113.66 1s97 s ILE 245 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1s97 s ILE 245 Cb -0.01 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1s97 s ILE 245 CO -0.03 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1s97 n GLY 246 N 4.40 3.17 3.64 6.18 0.00 -1.26 -0.34 105.19 120.97 1s97 n GLY 246 Ca -0.23 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1s97 n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s97 s ARG 247 N -1.94 0.70 0.03 1.61 6.06 0.33 -4.80 118.95 120.94 1s97 s ARG 247 Ca 0.00 1.03 0.03 0.00 -2.50 0.00 0.00 55.73 54.30 1s97 s ARG 247 Cb 0.00 0.24 -0.02 0.00 0.06 0.00 0.00 34.95 35.23 1s97 s ARG 247 CO 0.00 -0.12 -0.10 -1.50 -2.50 0.00 0.00 175.30 171.09 1s97 s ILE 248 N 1.04 0.75 0.08 4.11 2.07 -1.26 -0.22 121.20 127.77 1s97 s ILE 248 Ca -0.05 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.43 1s97 s ILE 248 Cb -0.05 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 1s97 s ILE 248 CO -0.11 -0.06 -0.07 0.68 -1.91 0.00 0.00 174.94 173.47 1s97 s VAL 249 N -0.77 0.68 -0.07 4.00 -7.23 0.88 -4.94 120.40 112.95 1s97 s VAL 249 Ca -0.01 -1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 1s97 s VAL 249 Cb -0.07 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 1s97 s VAL 249 CO 0.00 -0.70 0.38 -0.89 -0.31 0.00 0.00 175.10 173.58 1s97 s THR 250 N -2.88 5.16 0.29 5.32 2.01 -1.26 -0.94 115.64 123.35 1s97 s THR 250 Ca 0.05 0.76 -0.10 0.00 0.31 0.00 0.00 61.69 62.71 1s97 s THR 250 Cb 0.00 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 1s97 s THR 250 CO -0.03 0.47 0.63 -0.04 -0.69 0.00 0.00 174.62 174.97 1s97 s MET 251 N -0.29 3.81 0.44 4.92 -1.94 -0.50 -4.96 119.30 120.77 1s97 s MET 251 Ca 0.22 0.35 0.15 0.00 -1.71 0.00 0.00 55.69 54.70 1s97 s MET 251 Cb -0.15 -2.55 1.06 0.00 2.01 0.00 0.00 34.83 35.20 1s97 s MET 251 CO 0.10 0.19 1.96 0.87 -0.01 0.00 0.00 175.02 178.13 1s97 h LYS 252 N 2.07 0.38 -3.02 2.03 1.57 -1.85 -3.42 116.57 114.33 1s97 h LYS 252 Ca -0.47 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.16 1s97 h LYS 252 Cb 1.18 -0.09 -0.22 0.00 0.08 0.00 0.00 32.23 33.19 1s97 h LYS 252 CO 0.67 0.25 -0.30 -0.98 -0.57 0.00 0.00 179.45 178.52 1s97 s ARG 253 N -5.38 0.58 0.73 3.15 1.70 -1.26 -4.48 118.95 113.99 1s97 s ARG 253 Ca -0.08 0.00 -0.15 0.00 -0.47 0.00 0.00 55.73 55.03 1s97 s ARG 253 Cb 0.20 0.26 0.04 0.00 -0.57 0.00 0.00 34.95 34.88 1s97 s ARG 253 CO 0.75 -0.14 1.23 -0.80 -1.08 0.00 0.00 175.30 175.26 1s97 s ASN 254 N -0.86 4.14 0.14 -2.89 0.02 -1.26 -4.92 114.94 109.29 1s97 s ASN 254 Ca -0.09 2.42 -0.25 0.00 -1.02 0.00 0.00 52.86 53.92 1s97 s ASN 254 Cb -0.04 -2.60 0.08 0.00 0.02 0.00 0.00 41.25 38.71 1s97 s ASN 254 CO 0.03 -2.31 1.04 -0.55 0.02 0.00 0.00 177.10 175.33 1s97 s SER 255 N -1.91 -0.10 0.00 -1.22 0.15 -0.59 -4.90 113.70 105.12 1s97 s SER 255 Ca 0.76 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 57.04 1s97 s SER 255 Cb -0.31 0.44 0.12 0.00 -1.71 0.00 0.00 66.02 64.56 1s97 s SER 255 CO 0.45 -0.83 0.94 -2.11 1.20 0.00 0.00 173.24 172.89 1s97 n ARG 256 N -0.55 0.00 -3.18 5.44 1.85 -1.26 0.11 116.66 119.08 1s97 n ARG 256 Ca -0.05 -1.07 -0.42 0.00 -1.00 0.00 0.00 57.85 55.30 1s97 n ARG 256 Cb 0.61 -0.09 -0.07 0.00 -1.05 0.00 0.00 32.46 31.86 1s97 n ARG 256 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1s97 s ASN 257 N -1.07 6.31 0.31 2.89 3.84 -1.26 -4.95 114.94 121.01 1s97 s ASN 257 Ca 0.09 -0.28 0.08 0.00 0.21 0.00 0.00 52.86 52.96 1s97 s ASN 257 Cb 0.11 -2.29 0.85 0.00 -0.55 0.00 0.00 41.25 39.37 1s97 s ASN 257 CO -0.05 -0.66 1.71 0.25 -2.79 0.00 0.00 177.10 175.57 1s97 h LEU 258 N 9.41 0.55 -0.89 3.21 7.12 -1.99 0.17 115.31 132.90 1s97 h LEU 258 Ca -0.26 0.15 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 1s97 h LEU 258 Cb 1.11 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 1s97 h LEU 258 CO 0.84 0.05 -0.22 -0.33 -0.13 0.00 0.00 178.44 178.65 1s97 h GLU 259 N 0.50 0.00 0.00 1.25 4.39 -2.01 -1.21 114.58 117.50 1s97 h GLU 259 Ca 0.63 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 60.18 1s97 h GLU 259 Cb 1.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1s97 h GLU 259 CO -0.50 0.22 -1.01 1.49 -1.16 0.00 0.00 179.01 178.04 1s97 h GLU 260 N 0.00 0.00 0.11 2.33 4.81 -1.13 -3.36 114.58 117.34 1s97 h GLU 260 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1s97 h GLU 260 Cb 0.84 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1s97 h GLU 260 CO 0.03 0.43 -1.52 0.82 -0.73 0.00 0.00 179.01 178.04 1s97 h ILE 261 N 0.00 1.17 -0.77 2.32 2.04 -1.05 -3.39 117.51 117.82 1s97 h ILE 261 Ca -0.09 -2.81 0.14 0.00 1.00 0.00 0.00 64.86 63.10 1s97 h ILE 261 Cb 1.52 2.76 -0.14 0.00 -0.74 0.00 0.00 36.82 40.22 1s97 h ILE 261 CO 0.06 0.81 -0.30 0.11 0.00 0.00 0.00 178.15 178.83 1s97 h LYS 262 N 0.06 -0.06 -0.98 2.37 1.57 -1.36 -1.29 116.57 116.88 1s97 h LYS 262 Ca -0.24 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.74 1s97 h LYS 262 Cb 2.01 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 34.24 1s97 h LYS 262 CO 0.16 -0.04 0.61 -1.35 -0.57 0.00 0.00 179.45 178.26 1s97 h PRO 263 N -0.07 0.62 -0.22 3.15 0.11 -1.78 0.10 132.00 133.92 1s97 h PRO 263 Ca 0.32 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.19 1s97 h PRO 263 Cb 0.58 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1s97 h PRO 263 CO -0.81 0.41 -0.63 1.88 -0.21 0.00 0.00 178.00 178.64 1s97 h TYR 264 N 0.64 1.02 -0.05 0.65 0.05 -1.50 -2.40 116.97 115.38 1s97 h TYR 264 Ca 0.54 -0.40 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1s97 h TYR 264 Cb 1.00 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 1s97 h TYR 264 CO -0.00 1.21 -0.00 1.25 -1.05 0.00 0.00 178.16 179.57 1s97 h LEU 265 N 0.59 0.10 -0.95 3.88 5.85 -0.65 -1.98 115.31 122.15 1s97 h LEU 265 Ca -0.01 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1s97 h LEU 265 Cb 1.24 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1s97 h LEU 265 CO 0.13 0.40 0.48 -0.26 -0.34 0.00 0.00 178.44 178.85 1s97 h PHE 266 N -0.21 1.20 -0.47 1.25 0.04 -0.94 -0.22 116.94 117.59 1s97 h PHE 266 Ca 0.01 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1s97 h PHE 266 Cb 0.36 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1s97 h PHE 266 CO 0.04 0.83 0.30 -0.09 -0.60 0.00 0.00 178.31 178.79 1s97 h ARG 267 N 1.22 0.62 -0.79 1.51 2.43 -1.38 0.63 114.38 118.62 1s97 h ARG 267 Ca 0.31 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1s97 h ARG 267 Cb 0.03 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1s97 h ARG 267 CO -0.05 0.42 0.52 0.00 -1.51 0.00 0.00 179.97 179.36 1s97 h ALA 268 N 1.16 1.45 -0.04 2.80 0.00 -0.52 -1.18 119.26 122.93 1s97 h ALA 268 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s97 h ALA 268 Cb -0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1s97 h ALA 268 CO -0.04 0.51 0.01 0.82 0.00 0.00 0.00 179.25 180.55 1s97 h ILE 269 N 1.06 1.19 -0.43 0.00 2.04 0.09 -1.07 117.51 120.40 1s97 h ILE 269 Ca 0.29 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.64 1s97 h ILE 269 Cb -0.11 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1s97 h ILE 269 CO -0.07 0.16 0.10 -0.33 0.00 0.00 0.00 178.15 178.01 1s97 h GLU 270 N -0.17 0.23 -0.71 2.37 4.39 -0.44 0.94 114.58 121.20 1s97 h GLU 270 Ca 0.01 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1s97 h GLU 270 Cb 0.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1s97 h GLU 270 CO 0.00 0.15 0.18 0.93 -1.16 0.00 0.00 179.01 179.11 1s97 h GLU 271 N 0.23 1.13 -0.31 2.33 5.08 -1.19 -1.87 114.58 119.98 1s97 h GLU 271 Ca 0.21 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1s97 h GLU 271 Cb 0.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1s97 h GLU 271 CO -0.26 0.99 0.17 0.77 -1.00 0.00 0.00 179.01 179.68 1s97 h SER 272 N 1.06 0.40 -0.23 1.42 0.02 -0.33 -1.96 113.55 113.92 1s97 h SER 272 Ca 0.22 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1s97 h SER 272 Cb 0.36 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1s97 h SER 272 CO 0.00 0.38 -0.02 1.88 -1.14 0.00 0.00 176.83 177.93 1s97 h TYR 273 N 0.38 0.57 -0.56 3.45 0.05 -0.70 0.63 116.97 120.79 1s97 h TYR 273 Ca 0.11 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 1s97 h TYR 273 Cb 0.08 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1s97 h TYR 273 CO -0.03 0.57 0.06 -0.92 -1.05 0.00 0.00 178.16 176.80 1s97 h TYR 274 N 0.52 0.98 0.00 4.88 3.20 -1.09 -2.70 116.97 122.76 1s97 h TYR 274 Ca 0.11 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1s97 h TYR 274 Cb 0.37 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1s97 h TYR 274 CO 0.01 0.85 0.00 0.87 -1.64 0.00 0.00 178.16 178.26 1s97 h LYS 275 N 0.87 0.00 -0.13 1.82 1.57 -0.57 -3.17 116.57 116.95 1s97 h LYS 275 Ca 0.17 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1s97 h LYS 275 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1s97 h LYS 275 CO 0.01 0.00 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.42 1s97 h LEU 276 N 0.00 0.30 -1.40 2.94 3.38 -0.56 -3.48 115.31 116.48 1s97 h LEU 276 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1s97 h LEU 276 Cb 0.93 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1s97 h LEU 276 CO 0.00 0.68 -0.08 -0.67 0.09 0.00 0.00 178.44 178.46 1s97 n ASP 277 N -4.03 -3.26 0.00 -0.43 4.64 -1.18 -1.56 116.55 110.72 1s97 n ASP 277 Ca -0.01 0.37 0.00 0.00 -1.38 0.00 0.00 54.79 53.77 1s97 n ASP 277 Cb 0.48 -0.68 0.00 0.00 -1.04 0.00 0.00 41.12 39.88 1s97 n ASP 277 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1s97 n LYS 278 N 1.52 0.00 -2.11 -0.67 5.02 -1.26 -4.95 118.16 115.71 1s97 n LYS 278 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1s97 n LYS 278 Cb 0.04 -0.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.65 1s97 n LYS 278 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1s97 s ARG 279 N 0.00 4.27 -0.38 1.97 0.52 -0.60 -4.99 118.95 119.73 1s97 s ARG 279 Ca 0.00 2.12 -0.13 0.00 -0.52 0.00 0.00 55.73 57.20 1s97 s ARG 279 Cb 0.00 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 32.03 1s97 s ARG 279 CO 0.00 -0.58 0.24 0.42 0.02 0.00 0.00 175.30 175.40 1s97 s ILE 280 N 2.03 4.88 0.40 1.52 -1.09 -1.26 -4.87 121.20 122.82 1s97 s ILE 280 Ca 0.67 -0.72 -0.20 0.00 -2.23 0.00 0.00 60.65 58.17 1s97 s ILE 280 Cb -0.36 -3.70 -0.11 0.00 -1.58 0.00 0.00 42.46 36.72 1s97 s ILE 280 CO 0.29 -0.23 0.92 -2.16 -1.23 0.00 0.00 174.94 172.53 1s97 s PRO 281 N 1.62 4.22 -0.00 2.79 0.04 -1.26 -1.16 135.00 141.24 1s97 s PRO 281 Ca 0.04 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.21 1s97 s PRO 281 Cb -0.19 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 1s97 s PRO 281 CO 0.08 0.02 0.30 1.63 0.04 0.00 0.00 177.00 179.08 1s97 n LYS 282 N -0.50 4.33 -4.61 4.56 5.02 -0.76 0.38 118.16 126.58 1s97 n LYS 282 Ca 0.06 -0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.12 1s97 n LYS 282 Cb 0.54 -0.87 -0.15 0.00 -0.02 0.00 0.00 35.03 34.53 1s97 n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s97 s ALA 283 N -1.74 1.16 0.07 7.82 0.00 -0.93 -0.68 121.76 127.46 1s97 s ALA 283 Ca 0.02 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1s97 s ALA 283 Cb 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1s97 s ALA 283 CO 0.30 0.23 -0.20 -1.50 0.00 0.00 0.00 175.76 174.60 1s97 s ILE 284 N -0.04 1.58 -0.05 0.00 2.07 -0.58 -0.59 121.20 123.60 1s97 s ILE 284 Ca -0.00 -1.35 -0.02 0.00 -1.41 0.00 0.00 60.65 57.87 1s97 s ILE 284 Cb -0.08 -1.42 0.04 0.00 0.13 0.00 0.00 42.46 41.12 1s97 s ILE 284 CO 0.01 0.02 0.09 -1.00 -1.91 0.00 0.00 174.94 172.15 1s97 s HIS 285 N -1.02 -0.06 -0.17 3.50 3.76 0.19 -0.46 115.29 121.02 1s97 s HIS 285 Ca 0.06 0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 55.18 1s97 s HIS 285 Cb -0.09 -0.20 -0.05 0.00 1.11 0.00 0.00 32.58 33.34 1s97 s HIS 285 CO 0.03 -0.15 0.21 0.08 -0.85 0.00 0.00 174.74 174.06 1s97 s VAL 286 N 1.34 5.36 -0.12 -0.90 1.01 0.16 -0.71 120.40 126.54 1s97 s VAL 286 Ca -0.07 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1s97 s VAL 286 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1s97 s VAL 286 CO -0.04 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.63 1s97 s VAL 287 N 0.21 1.72 -0.04 2.92 1.01 0.28 -1.29 120.40 125.21 1s97 s VAL 287 Ca 0.13 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1s97 s VAL 287 Cb -0.12 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1s97 s VAL 287 CO 0.02 0.48 -0.25 0.00 0.00 0.00 0.00 175.10 175.35 1s97 s ALA 288 N 0.93 2.12 -0.31 5.51 0.00 0.15 -0.99 121.76 129.18 1s97 s ALA 288 Ca -0.06 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 1s97 s ALA 288 Cb -0.15 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1s97 s ALA 288 CO -0.02 0.46 0.09 0.08 0.00 0.00 0.00 175.76 176.38 1s97 s VAL 289 N -0.36 3.93 1.14 0.00 1.01 0.43 -0.19 120.40 126.35 1s97 s VAL 289 Ca 0.03 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1s97 s VAL 289 Cb -0.12 -3.10 0.26 0.00 0.00 0.00 0.00 36.38 33.42 1s97 s VAL 289 CO 0.01 -0.02 1.08 0.42 0.00 0.00 0.00 175.10 176.60 1s97 s THR 290 N 1.47 1.77 0.57 3.92 -4.23 -0.51 0.04 115.64 118.67 1s97 s THR 290 Ca 0.01 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.78 1s97 s THR 290 Cb -0.18 -2.43 0.34 0.00 1.34 0.00 0.00 72.50 71.57 1s97 s THR 290 CO 0.03 0.00 2.18 1.05 -0.54 0.00 0.00 174.62 177.33 1s97 h GLU 291 N -2.39 0.00 -0.75 3.99 4.11 -1.41 -0.81 114.58 117.32 1s97 h GLU 291 Ca -0.50 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.74 1s97 h GLU 291 Cb 1.32 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.46 1s97 h GLU 291 CO 0.45 0.00 0.24 -0.40 0.07 0.00 0.00 179.01 179.36 1s97 n ASP 292 N -4.03 4.84 -1.28 3.06 5.68 -1.26 -4.91 116.55 118.64 1s97 n ASP 292 Ca -0.01 -3.13 -0.17 0.00 -0.50 0.00 0.00 54.79 50.98 1s97 n ASP 292 Cb 0.18 -0.73 -0.07 0.00 -1.14 0.00 0.00 41.12 39.35 1s97 n ASP 292 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s97 n LEU 293 N -0.04 -1.09 -4.85 -2.12 4.77 -0.31 -4.99 117.00 108.37 1s97 n LEU 293 Ca 0.38 0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 56.46 1s97 n LEU 293 Cb 1.33 -2.66 0.02 0.00 -2.33 0.00 0.00 43.42 39.78 1s97 n LEU 293 CO 0.41 -1.01 0.71 -1.81 -1.33 0.00 0.00 177.39 174.37 1s97 s ASP 294 N -2.69 6.01 -0.12 -1.43 1.11 -1.26 -4.81 116.67 113.48 1s97 s ASP 294 Ca 0.00 1.50 0.01 0.00 0.18 0.00 0.00 52.55 54.24 1s97 s ASP 294 Cb 0.00 -2.48 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 1s97 s ASP 294 CO 0.00 -1.02 -0.14 -0.63 1.18 0.00 0.00 175.17 174.56 1s97 s ILE 295 N -3.07 2.96 0.02 0.77 1.01 -1.26 -1.42 121.20 120.20 1s97 s ILE 295 Ca 0.56 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.54 1s97 s ILE 295 Cb -0.12 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1s97 s ILE 295 CO 0.52 0.53 -0.09 -0.69 0.00 0.00 0.00 174.94 175.21 1s97 s VAL 296 N 0.26 0.73 0.07 2.92 1.01 0.73 -5.01 120.40 121.12 1s97 s VAL 296 Ca -0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1s97 s VAL 296 Cb -0.16 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1s97 s VAL 296 CO 0.06 -0.01 0.34 -0.94 0.00 0.00 0.00 175.10 174.55 1s97 s SER 297 N -0.80 -0.17 -0.12 3.32 1.04 -1.26 0.35 113.70 116.06 1s97 s SER 297 Ca -0.01 -0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 1s97 s SER 297 Cb -0.06 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1s97 s SER 297 CO 0.00 -0.70 0.28 -0.13 0.98 0.00 0.00 173.24 173.67 1s97 s ARG 298 N -2.98 0.22 0.33 4.02 1.81 -0.41 -4.99 118.95 116.95 1s97 s ARG 298 Ca -0.02 0.63 0.06 0.00 -1.72 0.00 0.00 55.73 54.68 1s97 s ARG 298 Cb 0.00 -0.08 -0.02 0.00 -0.45 0.00 0.00 34.95 34.40 1s97 s ARG 298 CO -0.06 -0.19 0.22 0.41 -0.68 0.00 0.00 175.30 175.00 1s97 n GLY 299 N 4.49 3.09 3.45 -3.53 0.00 -1.26 0.38 105.19 111.82 1s97 n GLY 299 Ca -0.21 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 1s97 n GLY 299 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s97 s ARG 300 N -3.31 0.91 -0.19 1.61 3.52 0.39 -4.96 118.95 116.92 1s97 s ARG 300 Ca 0.31 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1s97 s ARG 300 Cb 0.02 0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 1s97 s ARG 300 CO 0.22 -0.26 -0.17 0.99 -0.81 0.00 0.00 175.30 175.27 1s97 s THR 301 N -0.98 2.30 0.33 4.11 2.01 -1.26 -1.52 115.64 120.63 1s97 s THR 301 Ca -0.10 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1s97 s THR 301 Cb -0.02 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1s97 s THR 301 CO 0.07 0.52 0.50 -0.36 -0.69 0.00 0.00 174.62 174.66 1s97 s PHE 302 N 1.30 3.41 -0.38 4.92 0.40 0.15 -4.98 117.98 122.80 1s97 s PHE 302 Ca 0.05 0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1s97 s PHE 302 Cb -0.13 -1.86 0.31 0.00 0.51 0.00 0.00 43.02 41.85 1s97 s PHE 302 CO -0.11 0.14 1.25 -0.35 0.70 0.00 0.00 175.22 176.86 1s97 n PRO 303 N -1.70 1.99 -3.88 0.24 -0.04 -1.26 -4.79 135.00 125.57 1s97 n PRO 303 Ca -0.05 -1.32 -0.07 0.00 -0.04 0.00 0.00 63.50 62.02 1s97 n PRO 303 Cb 0.57 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 1s97 n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1s97 s HIS 304 N -1.55 -0.10 0.41 0.54 -3.43 -1.26 -5.15 115.29 104.75 1s97 s HIS 304 Ca 0.24 -0.36 -0.25 0.00 -0.80 0.00 0.00 55.06 53.89 1s97 s HIS 304 Cb 0.20 0.65 -0.08 0.00 -1.43 0.00 0.00 32.58 31.91 1s97 s HIS 304 CO 0.06 -1.23 1.18 0.20 -2.00 0.00 0.00 174.74 172.94 1s97 s GLY 305 N -2.94 2.86 -0.35 -1.38 0.00 -1.26 -4.40 107.32 99.85 1s97 s GLY 305 Ca 0.13 0.98 -0.21 0.00 0.00 0.00 0.00 44.72 45.62 1s97 s GLY 305 CO 0.08 1.49 0.65 -0.42 0.00 0.00 0.00 173.10 174.89 1s97 s ILE 306 N -1.42 4.88 0.97 0.90 1.01 0.16 -4.96 121.20 122.74 1s97 s ILE 306 Ca 0.58 0.67 -0.13 0.00 0.00 0.00 0.00 60.65 61.77 1s97 s ILE 306 Cb -0.31 -4.07 0.17 0.00 0.01 0.00 0.00 42.46 38.26 1s97 s ILE 306 CO 0.39 -0.29 1.14 -0.94 0.00 0.00 0.00 174.94 175.23 1s97 s SER 307 N 1.76 2.99 0.14 3.58 1.04 -1.26 -4.69 113.70 117.26 1s97 s SER 307 Ca 0.25 0.93 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 1s97 s SER 307 Cb -0.14 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.51 1s97 s SER 307 CO 0.14 -2.87 1.62 0.50 0.98 0.00 0.00 173.24 173.61 1s97 h LYS 308 N -1.72 0.74 -0.86 4.02 3.64 -1.99 -1.57 116.57 118.83 1s97 h LYS 308 Ca -0.51 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 58.71 1s97 h LYS 308 Cb 1.32 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 1s97 h LYS 308 CO 0.57 0.76 0.55 0.93 -2.27 0.00 0.00 179.45 179.99 1s97 h GLU 309 N 0.60 1.04 -0.08 1.90 4.39 -1.99 0.12 114.58 120.56 1s97 h GLU 309 Ca 0.14 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1s97 h GLU 309 Cb 0.38 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1s97 h GLU 309 CO 0.01 0.69 -0.30 1.15 -1.16 0.00 0.00 179.01 179.40 1s97 h THR 310 N 1.07 1.25 -0.21 1.13 2.02 -1.88 -1.31 112.91 114.97 1s97 h THR 310 Ca 0.34 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1s97 h THR 310 Cb 0.02 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1s97 h THR 310 CO -0.12 0.34 -0.01 0.00 0.37 0.00 0.00 175.52 176.10 1s97 h ALA 311 N 1.57 0.29 0.68 6.16 0.00 -0.00 0.17 119.26 128.12 1s97 h ALA 311 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1s97 h ALA 311 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1s97 h ALA 311 CO 0.04 0.03 -0.45 1.88 0.00 0.00 0.00 179.25 180.75 1s97 h TYR 312 N 0.14 -1.21 -0.16 0.00 0.05 -0.43 0.81 116.97 116.17 1s97 h TYR 312 Ca 0.06 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 1s97 h TYR 312 Cb 0.43 0.44 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 1s97 h TYR 312 CO 0.04 -0.66 -0.32 0.66 -1.05 0.00 0.00 178.16 176.83 1s97 h SER 313 N -1.07 0.33 0.53 3.88 4.64 -1.26 -2.81 113.55 117.78 1s97 h SER 313 Ca -0.09 -0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 60.91 1s97 h SER 313 Cb 0.88 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1s97 h SER 313 CO 0.07 0.63 -0.89 -0.08 -0.87 0.00 0.00 176.83 175.69 1s97 h GLU 314 N 0.28 0.24 -0.38 4.77 4.57 -0.58 -2.81 114.58 120.67 1s97 h GLU 314 Ca 0.04 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.87 1s97 h GLU 314 Cb 0.70 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1s97 h GLU 314 CO 0.05 0.99 -0.10 0.66 -1.18 0.00 0.00 179.01 179.43 1s97 h SER 315 N 0.13 0.65 -0.71 1.04 4.64 -0.73 -0.81 113.55 117.76 1s97 h SER 315 Ca -0.05 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1s97 h SER 315 Cb 1.52 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 1s97 h SER 315 CO 0.14 0.79 0.22 0.58 -0.87 0.00 0.00 176.83 177.69 1s97 h VAL 316 N 0.61 1.26 -0.72 0.95 2.07 -1.45 0.11 116.25 119.08 1s97 h VAL 316 Ca 0.11 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1s97 h VAL 316 Cb 0.54 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1s97 h VAL 316 CO 0.03 0.35 0.22 0.11 0.02 0.00 0.00 177.57 178.30 1s97 h LYS 317 N 1.05 1.12 -0.17 1.57 1.57 -1.14 0.54 116.57 121.11 1s97 h LYS 317 Ca 0.23 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1s97 h LYS 317 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1s97 h LYS 317 CO -0.01 0.96 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.35 1s97 h LEU 318 N 1.06 0.41 -0.33 2.94 3.38 -0.74 -0.99 115.31 121.05 1s97 h LEU 318 Ca 0.23 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1s97 h LEU 318 Cb 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1s97 h LEU 318 CO -0.01 0.78 -0.39 0.25 0.09 0.00 0.00 178.44 179.17 1s97 h LEU 319 N 0.32 0.91 -0.67 1.67 5.85 -0.36 -2.31 115.31 120.72 1s97 h LEU 319 Ca 0.03 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1s97 h LEU 319 Cb 0.88 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1s97 h LEU 319 CO 0.07 1.21 0.40 1.56 -0.34 0.00 0.00 178.44 181.34 1s97 h GLN 320 N 0.62 0.91 -0.56 1.25 4.20 -0.69 -1.42 115.11 119.43 1s97 h GLN 320 Ca 0.04 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1s97 h GLN 320 Cb 0.98 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 1s97 h GLN 320 CO 0.09 0.65 0.28 -0.22 -0.67 0.00 0.00 178.83 178.96 1s97 h LYS 321 N 0.91 0.51 -0.43 1.46 3.64 -1.01 -0.46 116.57 121.19 1s97 h LYS 321 Ca 0.24 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1s97 h LYS 321 Cb -0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1s97 h LYS 321 CO -0.04 0.34 0.25 0.82 -2.27 0.00 0.00 179.45 178.54 1s97 h ILE 322 N 0.53 1.14 -0.68 2.00 2.04 -0.90 -1.58 117.51 120.07 1s97 h ILE 322 Ca 0.25 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1s97 h ILE 322 Cb 0.18 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1s97 h ILE 322 CO -0.18 0.15 0.44 -0.07 0.00 0.00 0.00 178.15 178.49 1s97 h LEU 323 N 0.56 0.76 -0.60 1.44 4.07 -0.61 0.90 115.31 121.83 1s97 h LEU 323 Ca 0.15 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.99 1s97 h LEU 323 Cb 0.02 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1s97 h LEU 323 CO -0.03 0.54 -0.06 -0.33 -1.08 0.00 0.00 178.44 177.49 1s97 h GLU 324 N 0.90 1.04 0.00 1.13 5.08 -0.86 -3.20 114.58 118.67 1s97 h GLU 324 Ca 0.25 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1s97 h GLU 324 Cb -0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1s97 h GLU 324 CO -0.07 1.05 -0.45 0.39 -1.00 0.00 0.00 179.01 178.94 1s97 n GLU 325 N -4.16 0.08 -3.83 2.33 1.02 -0.61 -4.82 120.64 110.65 1s97 n GLU 325 Ca 0.02 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 57.00 1s97 n GLU 325 Cb 0.38 -1.55 -0.17 0.00 -0.02 0.00 0.00 31.44 30.08 1s97 n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s97 s ASP 326 N -3.34 0.75 0.00 1.62 3.68 0.29 -5.04 116.67 114.63 1s97 s ASP 326 Ca 0.10 -0.01 0.27 0.00 2.13 0.00 0.00 52.55 55.04 1s97 s ASP 326 Cb 0.17 -0.23 0.79 0.00 -1.45 0.00 0.00 42.92 42.20 1s97 s ASP 326 CO 0.68 -0.15 1.60 -1.84 0.13 0.00 0.00 175.17 175.59 1s97 n GLU 327 N 4.57 0.17 -1.88 4.34 0.28 -1.26 -4.46 120.64 122.40 1s97 n GLU 327 Ca -0.18 -0.08 -0.32 0.00 -0.16 0.00 0.00 57.16 56.41 1s97 n GLU 327 Cb 0.50 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.90 1s97 n GLU 327 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1s97 s ARG 328 N -2.88 3.10 0.57 3.44 0.52 -1.26 -5.02 118.95 117.41 1s97 s ARG 328 Ca 0.15 1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 56.42 1s97 s ARG 328 Cb 0.18 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 1s97 s ARG 328 CO 0.61 -0.99 1.03 0.15 0.02 0.00 0.00 175.30 176.13 1s97 s LYS 329 N -4.23 3.51 -0.00 3.54 1.02 -1.26 -4.91 119.74 117.41 1s97 s LYS 329 Ca 0.64 1.12 -0.10 0.00 0.02 0.00 0.00 55.97 57.65 1s97 s LYS 329 Cb -0.17 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1s97 s LYS 329 CO 0.41 -0.64 0.31 0.42 -0.92 0.00 0.00 175.35 174.93 1s97 s ILE 330 N -2.52 5.22 -0.10 2.17 -1.09 0.12 -1.10 121.20 123.89 1s97 s ILE 330 Ca 0.62 0.42 0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1s97 s ILE 330 Cb -0.14 -3.59 -0.07 0.00 -1.58 0.00 0.00 42.46 37.07 1s97 s ILE 330 CO 0.36 0.45 -0.07 -1.14 -1.23 0.00 0.00 174.94 173.31 1s97 n ARG 331 N 1.42 0.69 -4.42 2.79 0.63 0.11 -1.54 116.66 116.32 1s97 n ARG 331 Ca -0.13 0.05 -0.19 0.00 -0.92 0.00 0.00 57.85 56.66 1s97 n ARG 331 Cb 0.53 -1.21 -0.15 0.00 0.45 0.00 0.00 32.46 32.08 1s97 n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1s97 s ARG 332 N -2.21 0.83 0.03 -0.14 0.52 -0.58 -1.41 118.95 116.00 1s97 s ARG 332 Ca -0.12 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1s97 s ARG 332 Cb 0.03 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.69 1s97 s ARG 332 CO 0.26 0.20 -0.10 -1.50 0.02 0.00 0.00 175.30 174.18 1s97 s ILE 333 N -0.18 0.76 0.26 1.52 1.10 -0.12 -0.43 121.20 124.10 1s97 s ILE 333 Ca 0.03 -0.84 -0.20 0.00 -0.51 0.00 0.00 60.65 59.12 1s97 s ILE 333 Cb -0.04 -0.72 0.06 0.00 0.15 0.00 0.00 42.46 41.91 1s97 s ILE 333 CO -0.00 -0.10 0.92 -0.83 -2.11 0.00 0.00 174.94 172.81 1s97 s GLY 334 N -1.05 0.13 -0.00 1.50 0.00 -0.16 -0.08 107.32 107.66 1s97 s GLY 334 Ca -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 1s97 s GLY 334 CO 0.01 0.90 0.03 0.54 0.00 0.00 0.00 173.10 174.58 1s97 s VAL 335 N -2.54 0.04 -0.04 1.40 0.11 0.69 -0.55 120.40 119.51 1s97 s VAL 335 Ca 0.17 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1s97 s VAL 335 Cb -0.04 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1s97 s VAL 335 CO 0.07 -0.20 -0.13 -0.60 -3.33 0.00 0.00 175.10 170.91 1s97 s ARG 336 N -0.59 1.45 -0.08 1.54 3.52 0.11 -0.52 118.95 124.39 1s97 s ARG 336 Ca -0.07 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 1s97 s ARG 336 Cb -0.04 -1.28 -0.02 0.00 -1.56 0.00 0.00 34.95 32.05 1s97 s ARG 336 CO -0.00 0.16 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.46 1s97 s PHE 337 N 0.21 2.78 0.00 5.12 0.08 0.53 -0.64 117.98 126.06 1s97 s PHE 337 Ca -0.05 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.75 1s97 s PHE 337 Cb -0.11 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1s97 s PHE 337 CO 0.02 0.11 0.00 -1.13 -0.10 0.00 0.00 175.22 174.12 1s97 n SER 338 N 2.63 0.00 -3.53 1.36 3.41 0.24 -0.83 113.62 116.90 1s97 n SER 338 Ca -0.18 -0.80 -0.16 0.00 -0.26 0.00 0.00 58.87 57.47 1s97 n SER 338 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1s97 n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s97 n LYS 339 N 0.00 -1.45 -2.59 4.33 5.02 -1.24 -2.15 118.16 120.09 1s97 n LYS 339 Ca 0.00 1.01 -0.35 0.00 -2.02 0.00 0.00 58.31 56.96 1s97 n LYS 339 Cb 0.00 -3.56 -0.04 0.00 -0.02 0.00 0.00 35.03 31.41 1s97 n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s97 s PHE 340 N -3.01 3.12 -2.00 2.13 0.08 -1.26 -1.83 117.98 115.21 1s97 s PHE 340 Ca 0.01 1.60 0.13 0.00 0.12 0.00 0.00 56.93 58.80 1s97 s PHE 340 Cb -0.00 -3.05 0.78 0.00 -0.57 0.00 0.00 43.02 40.18 1s97 s PHE 340 CO 0.84 -0.66 1.21 -0.89 -0.10 0.00 0.00 175.22 175.62