#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvs h PRO 11 N 0.00 0.00 -4.69 0.00 0.11 -1.90 -3.44 132.00 122.09 1dvs h PRO 11 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1dvs h PRO 11 Cb 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 1dvs h PRO 11 CO 0.00 0.36 -0.82 -1.17 -0.21 0.00 0.00 178.00 176.17 1dvs s LEU 12 N -7.67 1.71 0.00 2.35 2.96 -1.26 0.78 118.68 117.56 1dvs s LEU 12 Ca -0.02 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1dvs s LEU 12 Cb 0.13 -0.82 -0.00 0.00 0.50 0.00 0.00 46.19 45.99 1dvs s LEU 12 CO 0.70 0.06 -0.02 -0.32 -1.32 0.00 0.00 176.35 175.45 1dvs s MET 13 N 0.50 0.15 -0.07 1.98 -2.45 0.90 -4.48 119.30 115.83 1dvs s MET 13 Ca -0.11 -0.13 0.05 0.00 -1.25 0.00 0.00 55.69 54.24 1dvs s MET 13 Cb -0.14 -0.10 -0.01 0.00 1.25 0.00 0.00 34.83 35.83 1dvs s MET 13 CO 0.03 0.02 -0.23 0.08 1.05 0.00 0.00 175.02 175.98 1dvs s VAL 14 N -0.23 2.22 -0.10 10.11 1.01 -1.09 0.07 120.40 132.39 1dvs s VAL 14 Ca -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1dvs s VAL 14 Cb -0.02 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1dvs s VAL 14 CO -0.00 0.57 -0.14 -0.75 0.00 0.00 0.00 175.10 174.77 1dvs s LYS 15 N -0.09 2.11 -0.09 2.72 2.47 0.32 -0.88 119.74 126.29 1dvs s LYS 15 Ca -0.05 -0.52 0.03 0.00 -1.56 0.00 0.00 55.97 53.86 1dvs s LYS 15 Cb -0.14 -1.81 0.01 0.00 -1.46 0.00 0.00 37.83 34.43 1dvs s LYS 15 CO 0.04 -0.07 -0.17 0.08 0.16 0.00 0.00 175.35 175.39 1dvs s VAL 16 N 1.01 1.56 0.17 4.02 1.01 0.27 -0.74 120.40 127.70 1dvs s VAL 16 Ca -0.06 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.31 1dvs s VAL 16 Cb -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1dvs s VAL 16 CO -0.02 0.45 -0.23 -0.76 0.00 0.00 0.00 175.10 174.55 1dvs s LEU 17 N 0.71 2.49 -0.30 3.92 1.43 0.23 -0.30 118.68 126.86 1dvs s LEU 17 Ca -0.12 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 1dvs s LEU 17 Cb -0.16 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1dvs s LEU 17 CO 0.03 0.14 0.11 -0.62 0.23 0.00 0.00 176.35 176.24 1dvs s ASP 18 N -2.47 5.29 0.02 2.29 -1.08 0.90 -0.57 116.67 121.06 1dvs s ASP 18 Ca 0.19 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.88 1dvs s ASP 18 Cb -0.09 -1.93 1.04 0.00 -1.46 0.00 0.00 42.92 40.48 1dvs s ASP 18 CO 0.09 -0.19 1.80 0.00 0.52 0.00 0.00 175.17 177.39 1dvs n ALA 19 N 4.92 2.59 -0.01 3.66 0.00 -0.13 -1.70 120.51 129.84 1dvs n ALA 19 Ca -0.14 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1dvs n ALA 19 Cb 0.48 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 1dvs n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvs h VAL 20 N 0.00 0.71 -0.00 0.00 2.07 -1.94 -3.39 116.25 113.70 1dvs h VAL 20 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1dvs h VAL 20 Cb 0.52 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1dvs h VAL 20 CO 0.00 0.78 -0.94 0.54 0.02 0.00 0.00 177.57 177.98 1dvs n ARG 21 N -3.69 0.07 -3.09 1.57 1.74 -1.25 -4.99 116.66 107.03 1dvs n ARG 21 Ca -0.31 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.57 1dvs n ARG 21 Cb 0.98 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.98 1dvs n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dvs n GLY 22 N 1.49 -0.12 3.49 -0.13 0.00 -0.69 -5.03 105.19 104.21 1dvs n GLY 22 Ca 0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1dvs n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dvs s SER 23 N -3.75 0.03 0.57 1.61 1.04 -1.09 -5.00 113.70 107.10 1dvs s SER 23 Ca 0.12 -1.08 -0.18 0.00 0.48 0.00 0.00 55.95 55.29 1dvs s SER 23 Cb -0.05 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1dvs s SER 23 CO 0.52 -1.08 1.13 -2.84 0.98 0.00 0.00 173.24 171.95 1dvs s PRO 24 N -3.98 3.19 -0.58 4.02 0.02 -1.26 -0.07 135.00 136.34 1dvs s PRO 24 Ca 0.27 1.58 -0.22 0.00 0.02 0.00 0.00 61.00 62.65 1dvs s PRO 24 Cb 0.01 -1.99 0.06 0.00 0.02 0.00 0.00 34.50 32.60 1dvs s PRO 24 CO 0.10 -0.97 0.87 0.00 -0.33 0.00 0.00 177.00 176.67 1dvs s ALA 25 N -1.88 3.21 0.18 -1.55 0.00 0.59 -4.59 121.76 117.72 1dvs s ALA 25 Ca 0.72 -1.61 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 1dvs s ALA 25 Cb -0.24 -3.68 -0.08 0.00 0.00 0.00 0.00 23.12 19.13 1dvs s ALA 25 CO 0.31 -2.43 0.65 0.42 0.00 0.00 0.00 175.76 174.70 1dvs s ILE 26 N 3.63 4.69 -1.55 0.00 1.01 -1.26 -4.29 121.20 123.43 1dvs s ILE 26 Ca 0.23 1.11 -0.05 0.00 0.00 0.00 0.00 60.65 61.94 1dvs s ILE 26 Cb -0.16 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.50 1dvs s ILE 26 CO 0.14 0.25 0.69 0.59 0.00 0.00 0.00 174.94 176.61 1dvs n ASN 27 N 0.85 -6.21 -4.72 3.58 3.02 -0.30 -4.93 115.26 106.55 1dvs n ASN 27 Ca -0.04 -0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 53.80 1dvs n ASN 27 Cb 0.51 -5.00 -0.05 0.00 -0.61 0.00 0.00 39.78 34.63 1dvs n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dvs s VAL 28 N -3.21 5.11 0.13 2.41 1.01 -1.26 -4.73 120.40 119.87 1dvs s VAL 28 Ca 0.34 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 1dvs s VAL 28 Cb -0.15 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1dvs s VAL 28 CO 0.42 0.28 1.16 0.00 0.00 0.00 0.00 175.10 176.96 1dvs s ALA 29 N 0.78 3.39 -0.08 5.51 0.00 -1.26 -1.51 121.76 128.58 1dvs s ALA 29 Ca 0.31 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1dvs s ALA 29 Cb -0.16 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1dvs s ALA 29 CO 0.14 -0.33 -0.11 0.08 0.00 0.00 0.00 175.76 175.54 1dvs s VAL 30 N 0.32 1.11 -0.09 0.00 1.01 0.33 -1.12 120.40 121.96 1dvs s VAL 30 Ca 0.54 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1dvs s VAL 30 Cb -0.30 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1dvs s VAL 30 CO 0.33 0.36 -0.20 -1.00 0.00 0.00 0.00 175.10 174.59 1dvs s HIS 31 N 1.02 2.61 -0.09 5.22 3.76 -0.14 -1.27 115.29 126.40 1dvs s HIS 31 Ca -0.08 -0.75 0.02 0.00 -0.15 0.00 0.00 55.06 54.11 1dvs s HIS 31 Cb -0.15 -1.71 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 1dvs s HIS 31 CO -0.01 -0.24 -0.15 0.08 -0.85 0.00 0.00 174.74 173.57 1dvs s VAL 32 N 0.08 2.92 0.18 -0.90 1.01 0.18 -0.08 120.40 123.78 1dvs s VAL 32 Ca -0.09 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1dvs s VAL 32 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1dvs s VAL 32 CO 0.06 0.56 -0.16 -0.36 0.00 0.00 0.00 175.10 175.19 1dvs s PHE 33 N -0.17 1.75 -0.04 5.22 0.40 0.11 -0.37 117.98 124.89 1dvs s PHE 33 Ca -0.01 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1dvs s PHE 33 Cb -0.13 -0.84 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 1dvs s PHE 33 CO 0.03 0.34 -0.18 0.50 0.70 0.00 0.00 175.22 176.61 1dvs s ARG 34 N -3.19 1.77 -0.05 0.44 3.52 -0.45 -1.07 118.95 119.92 1dvs s ARG 34 Ca 0.19 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 1dvs s ARG 34 Cb -0.03 -1.59 -0.03 0.00 -1.56 0.00 0.00 34.95 31.73 1dvs s ARG 34 CO 0.07 0.31 1.23 0.21 -0.81 0.00 0.00 175.30 176.31 1dvs s LYS 35 N -0.14 4.34 0.63 5.12 2.20 -0.22 -1.27 119.74 130.39 1dvs s LYS 35 Ca -0.00 1.71 -0.05 0.00 -0.36 0.00 0.00 55.97 57.27 1dvs s LYS 35 Cb -0.10 -3.57 0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1dvs s LYS 35 CO 0.01 -0.47 0.93 0.00 -0.36 0.00 0.00 175.35 175.45 1dvs s ALA 36 N 2.29 3.34 0.41 3.13 0.00 0.14 -4.71 121.76 126.35 1dvs s ALA 36 Ca 0.57 -0.90 0.21 0.00 0.00 0.00 0.00 51.96 51.84 1dvs s ALA 36 Cb -0.25 -2.51 1.17 0.00 0.00 0.00 0.00 23.12 21.52 1dvs s ALA 36 CO 0.22 -1.00 1.74 0.00 0.00 0.00 0.00 175.76 176.73 1dvs h ALA 37 N -0.31 2.33 -0.39 0.00 0.00 -1.95 0.31 119.26 119.25 1dvs h ALA 37 Ca -0.45 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1dvs h ALA 37 Cb 1.29 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1dvs h ALA 37 CO 0.59 -0.78 0.17 -0.40 0.00 0.00 0.00 179.25 178.83 1dvs n ASP 38 N -4.64 3.35 -1.96 0.00 5.75 -1.26 -4.86 116.55 112.93 1dvs n ASP 38 Ca 0.27 -2.63 -0.20 0.00 -0.01 0.00 0.00 54.79 52.22 1dvs n ASP 38 Cb 0.98 -0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 1dvs n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dvs n ASP 39 N -0.02 -5.59 -4.78 -1.12 8.00 0.10 -4.99 116.55 108.15 1dvs n ASP 39 Ca 0.22 0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.62 1dvs n ASP 39 Cb 0.91 -4.71 -0.06 0.00 -0.02 0.00 0.00 41.12 37.23 1dvs n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dvs s THR 40 N -2.89 4.54 -0.43 -3.53 2.01 -1.25 -4.87 115.64 109.23 1dvs s THR 40 Ca 0.00 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.01 1dvs s THR 40 Cb 0.00 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.33 1dvs s THR 40 CO 0.00 0.11 0.61 0.26 -0.69 0.00 0.00 174.62 174.91 1dvs s TRP 41 N -1.42 3.08 -0.13 4.92 0.52 -1.26 0.26 118.94 124.91 1dvs s TRP 41 Ca 0.29 -0.07 -0.07 0.00 0.02 0.00 0.00 56.10 56.27 1dvs s TRP 41 Cb -0.12 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 28.89 1dvs s TRP 41 CO 0.22 -0.83 0.12 -1.83 0.02 0.00 0.00 176.95 174.66 1dvs s GLU 42 N 2.72 3.54 0.23 4.98 -1.05 -0.40 -4.88 118.70 123.85 1dvs s GLU 42 Ca 0.21 -0.18 -0.31 0.00 -0.15 0.00 0.00 54.97 54.55 1dvs s GLU 42 Cb -0.14 -3.20 -0.14 0.00 -0.44 0.00 0.00 34.13 30.21 1dvs s GLU 42 CO 0.18 0.68 1.24 -2.30 0.95 0.00 0.00 175.26 176.01 1dvs n PRO 43 N 2.30 1.59 0.00 -4.83 -0.02 -1.26 -1.34 135.00 131.44 1dvs n PRO 43 Ca -0.19 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1dvs n PRO 43 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1dvs n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dvs n PHE 44 N 1.38 0.00 -3.57 6.00 7.35 0.50 -4.77 117.46 124.35 1dvs n PHE 44 Ca 0.12 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 1dvs n PHE 44 Cb 0.29 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.11 1dvs n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dvs s ALA 45 N -1.99 -1.78 0.16 3.13 0.00 -0.90 -5.00 121.76 115.37 1dvs s ALA 45 Ca 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 1dvs s ALA 45 Cb 0.00 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.67 1dvs s ALA 45 CO 0.00 -0.79 0.70 -1.54 0.00 0.00 0.00 175.76 174.12 1dvs s SER 46 N -2.62 -0.45 0.00 0.00 1.04 -1.26 0.47 113.70 110.89 1dvs s SER 46 Ca 0.07 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1dvs s SER 46 Cb -0.01 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1dvs s SER 46 CO -0.06 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1dvs n GLY 47 N -0.38 -1.23 3.07 7.32 0.00 -0.40 -5.01 105.19 108.56 1dvs n GLY 47 Ca -0.12 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 1dvs n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dvs s LYS 48 N -0.28 1.01 0.54 1.61 1.02 -1.26 -0.52 119.74 121.86 1dvs s LYS 48 Ca 0.00 -0.43 -0.22 0.00 0.02 0.00 0.00 55.97 55.34 1dvs s LYS 48 Cb 0.00 -0.97 -0.05 0.00 -0.52 0.00 0.00 37.83 36.29 1dvs s LYS 48 CO 0.00 0.25 1.33 0.95 -0.92 0.00 0.00 175.35 176.96 1dvs s THR 49 N -0.24 2.23 0.17 2.17 -4.23 -0.57 -4.80 115.64 110.36 1dvs s THR 49 Ca 0.04 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.71 1dvs s THR 49 Cb -0.05 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.74 1dvs s THR 49 CO -0.00 -0.00 0.23 -1.54 -0.54 0.00 0.00 174.62 172.76 1dvs n SER 50 N -0.98 0.12 0.26 3.99 3.41 0.48 -1.15 113.62 119.76 1dvs n SER 50 Ca 0.10 -1.15 0.14 0.00 -0.26 0.00 0.00 58.87 57.71 1dvs n SER 50 Cb 0.46 -0.16 0.85 0.00 -0.26 0.00 0.00 64.21 65.09 1dvs n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dvs h GLU 51 N 0.00 0.00 -0.28 4.33 4.39 -1.94 0.27 114.58 121.36 1dvs h GLU 51 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1dvs h GLU 51 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1dvs h GLU 51 CO 0.06 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.78 1dvs n SER 52 N -3.96 1.93 -0.77 1.42 3.41 -1.26 -4.76 113.62 109.62 1dvs n SER 52 Ca -0.02 -1.85 -0.10 0.00 -0.26 0.00 0.00 58.87 56.64 1dvs n SER 52 Cb 0.15 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 1dvs n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvs n GLY 53 N 1.14 1.16 3.59 5.00 0.00 0.96 -4.82 105.19 112.22 1dvs n GLY 53 Ca 0.15 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 1dvs n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dvs s GLU 54 N -2.84 2.13 -0.22 1.61 2.02 -1.26 -0.57 118.70 119.58 1dvs s GLU 54 Ca 0.00 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 53.63 1dvs s GLU 54 Cb 0.00 -2.15 0.07 0.00 0.10 0.00 0.00 34.13 32.15 1dvs s GLU 54 CO 0.00 0.41 0.04 -1.17 0.02 0.00 0.00 175.26 174.56 1dvs s LEU 55 N -3.13 1.39 0.43 1.80 2.96 -0.06 -0.39 118.68 121.68 1dvs s LEU 55 Ca 0.27 -0.98 0.07 0.00 -0.22 0.00 0.00 54.13 53.28 1dvs s LEU 55 Cb -0.08 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 1dvs s LEU 55 CO 0.17 -0.32 0.32 -1.00 -1.32 0.00 0.00 176.35 174.20 1dvs s HIS 56 N 1.81 2.57 -1.48 5.38 3.76 -1.26 -2.68 115.29 123.38 1dvs s HIS 56 Ca 0.01 -0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 54.35 1dvs s HIS 56 Cb -0.17 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.44 1dvs s HIS 56 CO -0.11 -0.06 0.18 0.41 -0.85 0.00 0.00 174.74 174.30 1dvs n GLY 57 N -1.47 -0.37 0.14 -2.22 0.00 -1.26 -4.91 105.19 95.09 1dvs n GLY 57 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 1dvs n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dvs h LEU 58 N -0.40 0.04 0.00 0.99 3.38 -1.85 -3.48 115.31 113.99 1dvs h LEU 58 Ca -0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1dvs h LEU 58 Cb 1.32 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.06 1dvs h LEU 58 CO 0.50 0.68 0.26 1.07 0.09 0.00 0.00 178.44 181.05 1dvs n THR 59 N -3.78 0.00 -4.51 0.22 5.66 -1.26 -4.79 114.28 105.81 1dvs n THR 59 Ca -0.01 -0.80 -0.24 0.00 -3.05 0.00 0.00 64.05 59.94 1dvs n THR 59 Cb 0.64 0.82 -0.11 0.00 -1.55 0.00 0.00 70.33 70.14 1dvs n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dvs s THR 60 N -2.23 1.85 0.35 1.09 -4.23 -1.26 -4.51 115.64 106.71 1dvs s THR 60 Ca 0.14 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1dvs s THR 60 Cb -0.04 -2.69 0.22 0.00 1.34 0.00 0.00 72.50 71.33 1dvs s THR 60 CO 0.10 -0.16 1.96 -0.33 -0.54 0.00 0.00 174.62 175.65 1dvs h GLU 61 N 2.05 0.67 -0.34 3.99 5.08 -1.99 -0.21 114.58 123.84 1dvs h GLU 61 Ca -0.42 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1dvs h GLU 61 Cb 1.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1dvs h GLU 61 CO 0.72 0.52 0.02 1.49 -1.00 0.00 0.00 179.01 180.76 1dvs h GLU 62 N 0.67 0.59 0.00 2.33 4.57 -2.04 -3.23 114.58 117.47 1dvs h GLU 62 Ca 0.17 -0.18 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 1dvs h GLU 62 Cb 0.08 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1dvs h GLU 62 CO -0.02 0.70 -0.81 0.37 -1.18 0.00 0.00 179.01 178.07 1dvs h GLN 63 N 0.40 0.00 -4.60 1.92 4.15 -1.91 -3.40 115.11 111.67 1dvs h GLN 63 Ca 0.10 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.81 1dvs h GLN 63 Cb 0.42 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 1dvs h GLN 63 CO 0.01 0.79 2.72 0.34 -1.93 0.00 0.00 178.83 180.77 1dvs n PHE 64 N -3.30 3.92 -2.22 3.99 7.35 -0.11 -4.96 117.46 122.13 1dvs n PHE 64 Ca 0.01 -2.93 -0.26 0.00 -0.76 0.00 0.00 57.45 53.50 1dvs n PHE 64 Cb 0.86 -2.54 0.06 0.00 0.35 0.00 0.00 39.48 38.21 1dvs n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1dvs s VAL 65 N 3.34 2.41 0.47 -2.13 -7.23 -1.26 -4.93 120.40 111.07 1dvs s VAL 65 Ca 0.49 -0.24 -0.23 0.00 -1.81 0.00 0.00 61.98 60.19 1dvs s VAL 65 Cb 0.10 -3.05 -0.08 0.00 0.56 0.00 0.00 36.38 33.91 1dvs s VAL 65 CO -0.03 -0.05 1.13 -0.62 -0.31 0.00 0.00 175.10 175.23 1dvs n GLU 66 N -2.89 1.50 -3.95 4.82 1.02 -1.26 -4.88 120.64 115.00 1dvs n GLU 66 Ca 0.08 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1dvs n GLU 66 Cb 0.60 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1dvs n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dvs n GLY 67 N 1.02 -2.39 3.59 0.62 0.00 -1.13 -4.99 105.19 101.91 1dvs n GLY 67 Ca 0.09 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 1dvs n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvs s ILE 68 N -2.32 4.75 0.14 -0.61 1.01 -1.26 -0.76 121.20 122.15 1dvs s ILE 68 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 60.65 60.72 1dvs s ILE 68 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1dvs s ILE 68 CO 0.00 0.41 -0.24 -0.31 0.00 0.00 0.00 174.94 174.80 1dvs s TYR 69 N 0.81 2.36 -0.12 3.97 1.51 0.44 -1.06 117.35 125.27 1dvs s TYR 69 Ca 0.04 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1dvs s TYR 69 Cb -0.13 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1dvs s TYR 69 CO 0.02 0.39 -0.13 0.21 -1.11 0.00 0.00 175.55 174.93 1dvs s LYS 70 N -2.23 2.03 -0.28 -0.62 2.20 -0.23 -1.23 119.74 119.38 1dvs s LYS 70 Ca 0.17 -0.47 -0.09 0.00 -0.36 0.00 0.00 55.97 55.22 1dvs s LYS 70 Cb -0.10 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.34 1dvs s LYS 70 CO 0.08 -0.17 0.12 0.08 -0.36 0.00 0.00 175.35 175.10 1dvs s VAL 71 N 1.33 4.59 -0.22 4.02 1.01 0.55 -0.71 120.40 130.98 1dvs s VAL 71 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1dvs s VAL 71 Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1dvs s VAL 71 CO -0.06 0.22 -0.02 -0.70 0.00 0.00 0.00 175.10 174.54 1dvs s GLU 72 N 1.64 3.49 -0.26 2.72 2.12 0.88 -0.62 118.70 128.67 1dvs s GLU 72 Ca 0.06 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.75 1dvs s GLU 72 Cb -0.16 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 1dvs s GLU 72 CO 0.06 -0.12 0.05 0.42 -0.54 0.00 0.00 175.26 175.13 1dvs s ILE 73 N 1.32 4.02 -1.20 -3.70 1.01 0.94 -0.97 121.20 122.62 1dvs s ILE 73 Ca 0.04 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.09 1dvs s ILE 73 Cb -0.14 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1dvs s ILE 73 CO -0.00 0.28 1.89 -0.67 0.00 0.00 0.00 174.94 176.44 1dvs n ASP 74 N 4.88 3.74 0.08 3.58 2.03 -0.27 -1.44 116.55 129.15 1dvs n ASP 74 Ca -0.16 -2.79 -0.06 0.00 0.52 0.00 0.00 54.79 52.30 1dvs n ASP 74 Cb 0.50 -1.65 0.10 0.00 -0.72 0.00 0.00 41.12 39.35 1dvs n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dvs h THR 75 N 5.50 1.39 -0.15 5.18 1.35 -1.87 -3.23 112.91 121.07 1dvs h THR 75 Ca 0.36 -2.02 0.02 0.00 -0.55 0.00 0.00 66.41 64.23 1dvs h THR 75 Cb 0.85 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 1dvs h THR 75 CO 1.48 0.60 0.00 0.50 -0.25 0.00 0.00 175.52 177.85 1dvs h LYS 76 N 0.19 0.05 -0.43 4.72 3.64 -1.74 -1.87 116.57 121.13 1dvs h LYS 76 Ca -0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1dvs h LYS 76 Cb 1.15 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1dvs h LYS 76 CO 0.10 0.03 0.15 0.77 -2.27 0.00 0.00 179.45 178.24 1dvs h SER 77 N 0.05 0.56 -0.02 4.20 0.02 -1.87 -1.31 113.55 115.18 1dvs h SER 77 Ca 0.07 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dvs h SER 77 Cb 0.08 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1dvs h SER 77 CO -0.12 0.52 0.01 0.22 -1.14 0.00 0.00 176.83 176.33 1dvs h TYR 78 N 0.61 0.03 -0.24 3.45 3.20 -1.41 -2.31 116.97 120.29 1dvs h TYR 78 Ca 0.15 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.85 1dvs h TYR 78 Cb 0.15 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1dvs h TYR 78 CO 0.01 0.06 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.59 1dvs h TRP 79 N -0.01 0.84 -1.01 -3.82 4.06 -1.08 -3.11 115.95 111.83 1dvs h TRP 79 Ca 0.01 -0.28 0.03 0.00 2.06 0.00 0.00 58.89 60.71 1dvs h TRP 79 Cb 0.03 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 27.97 1dvs h TRP 79 CO -0.06 1.04 0.66 0.87 -3.56 0.00 0.00 178.44 177.39 1dvs h LYS 80 N 0.53 1.25 0.00 0.49 1.79 -1.16 0.46 116.57 119.93 1dvs h LYS 80 Ca 0.02 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1dvs h LYS 80 Cb 1.07 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1dvs h LYS 80 CO 0.10 0.83 0.00 0.00 -1.08 0.00 0.00 179.45 179.30 1dvs h ALA 81 N 1.41 1.00 -0.35 3.86 0.00 -1.34 -0.83 119.26 123.01 1dvs h ALA 81 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dvs h ALA 81 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dvs h ALA 81 CO -0.12 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1dvs n LEU 82 N -2.63 3.36 -0.46 0.00 4.77 0.05 -4.95 117.00 117.15 1dvs n LEU 82 Ca 0.00 -1.47 -0.05 0.00 -0.03 0.00 0.00 56.01 54.47 1dvs n LEU 82 Cb 0.18 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1dvs n LEU 82 CO 0.20 0.71 -0.05 0.61 -1.33 0.00 0.00 177.39 177.53 1dvs n GLY 83 N 1.42 0.40 3.23 -0.72 0.00 -0.32 -5.04 105.19 104.17 1dvs n GLY 83 Ca 0.18 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1dvs n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvs s ILE 84 N -2.21 2.00 -0.41 -0.61 1.01 -0.60 -5.02 121.20 115.37 1dvs s ILE 84 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.40 1dvs s ILE 84 Cb 0.00 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1dvs s ILE 84 CO 0.00 0.55 0.82 -0.94 0.00 0.00 0.00 174.94 175.37 1dvs s SER 85 N 0.12 6.51 0.69 3.58 1.04 -1.26 -3.27 113.70 121.12 1dvs s SER 85 Ca -0.12 0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.43 1dvs s SER 85 Cb -0.16 -2.41 0.04 0.00 0.10 0.00 0.00 66.02 63.59 1dvs s SER 85 CO 0.06 -0.85 1.03 -2.16 0.98 0.00 0.00 173.24 172.30 1dvs s PRO 86 N 3.30 2.51 -0.18 4.02 0.04 -1.26 -4.91 135.00 138.53 1dvs s PRO 86 Ca 0.32 0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.24 1dvs s PRO 86 Cb -0.12 -2.12 -0.22 0.00 0.04 0.00 0.00 34.50 32.08 1dvs s PRO 86 CO 0.20 -1.11 0.30 0.35 0.04 0.00 0.00 177.00 176.78 1dvs h PHE 87 N -0.58 0.16 -3.92 0.56 3.57 -1.50 -3.48 116.94 111.74 1dvs h PHE 87 Ca -0.45 -0.11 -0.46 0.00 3.53 0.00 0.00 57.97 60.47 1dvs h PHE 87 Cb 1.29 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1dvs h PHE 87 CO 0.41 1.56 0.26 -1.01 -2.23 0.00 0.00 178.31 177.29 1dvs s HIS 88 N -2.42 3.37 0.22 0.41 3.76 -1.26 -4.97 115.29 114.41 1dvs s HIS 88 Ca -0.26 1.49 0.03 0.00 -0.15 0.00 0.00 55.06 56.17 1dvs s HIS 88 Cb 0.06 -2.75 0.20 0.00 1.11 0.00 0.00 32.58 31.20 1dvs s HIS 88 CO 0.65 -0.00 1.53 0.93 -0.85 0.00 0.00 174.74 177.00 1dvs h GLU 89 N 2.18 0.26 -1.78 1.40 4.39 -1.98 -3.38 114.58 115.68 1dvs h GLU 89 Ca -0.48 -0.19 0.38 0.00 0.34 0.00 0.00 59.36 59.40 1dvs h GLU 89 Cb 1.18 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.77 1dvs h GLU 89 CO 0.63 0.81 0.95 -3.38 -1.16 0.00 0.00 179.01 176.86 1dvs s HIS 90 N -3.70 0.00 -0.08 4.33 -3.43 -1.26 -3.85 115.29 107.30 1dvs s HIS 90 Ca -0.04 -0.06 0.04 0.00 -0.80 0.00 0.00 55.06 54.20 1dvs s HIS 90 Cb 0.12 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.78 1dvs s HIS 90 CO 0.81 -0.13 -0.19 0.00 -2.00 0.00 0.00 174.74 173.22 1dvs s ALA 91 N -2.06 2.40 0.03 -1.38 0.00 -0.52 -4.89 121.76 115.34 1dvs s ALA 91 Ca 0.26 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.32 1dvs s ALA 91 Cb 0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1dvs s ALA 91 CO -0.03 0.39 -0.23 -1.21 0.00 0.00 0.00 175.76 174.67 1dvs s GLU 92 N -0.08 1.63 -0.18 0.00 2.02 -1.26 -0.04 118.70 120.78 1dvs s GLU 92 Ca -0.04 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 1dvs s GLU 92 Cb -0.14 -1.74 0.05 0.00 0.10 0.00 0.00 34.13 32.40 1dvs s GLU 92 CO 0.04 0.45 -0.03 0.08 0.02 0.00 0.00 175.26 175.83 1dvs s VAL 93 N -0.75 0.99 -0.18 2.63 1.01 0.20 -4.97 120.40 119.33 1dvs s VAL 93 Ca 0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1dvs s VAL 93 Cb -0.09 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1dvs s VAL 93 CO 0.01 0.01 -0.07 -0.69 0.00 0.00 0.00 175.10 174.36 1dvs s VAL 94 N 1.67 3.35 0.14 2.92 1.01 -1.26 -0.33 120.40 127.89 1dvs s VAL 94 Ca -0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1dvs s VAL 94 Cb -0.16 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1dvs s VAL 94 CO -0.07 0.46 0.33 0.72 0.00 0.00 0.00 175.10 176.54 1dvs s PHE 95 N 0.98 0.06 -0.21 5.22 -0.71 -0.37 -5.00 117.98 117.96 1dvs s PHE 95 Ca -0.00 -0.43 -0.13 0.00 -1.04 0.00 0.00 56.93 55.33 1dvs s PHE 95 Cb -0.15 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 1dvs s PHE 95 CO 0.00 -0.70 0.25 0.99 -1.34 0.00 0.00 175.22 174.42 1dvs s THR 96 N -3.87 5.31 -0.54 -4.49 2.01 -1.26 -0.42 115.64 112.38 1dvs s THR 96 Ca 0.08 0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 1dvs s THR 96 Cb 0.03 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 69.01 1dvs s THR 96 CO -0.07 0.34 0.69 0.00 -0.69 0.00 0.00 174.62 174.89 1dvs s ALA 97 N 0.92 3.36 0.03 7.40 0.00 0.06 -4.94 121.76 128.60 1dvs s ALA 97 Ca 0.13 -1.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.00 1dvs s ALA 97 Cb -0.13 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.37 1dvs s ALA 97 CO 0.04 -2.16 1.34 -0.97 0.00 0.00 0.00 175.76 174.01 1dvs h ASN 98 N 9.10 -0.58 -3.13 0.00 -0.73 -1.94 -2.98 115.58 115.31 1dvs h ASN 98 Ca -0.28 -0.06 -0.05 0.00 1.87 0.00 0.00 56.30 57.79 1dvs h ASN 98 Cb 1.09 0.15 0.03 0.00 0.27 0.00 0.00 38.32 39.86 1dvs h ASN 98 CO 1.02 -0.27 -0.14 -0.67 -0.37 0.00 0.00 177.43 177.00 1dvs n ASP 99 N -5.31 -2.51 -3.78 1.15 -0.08 -1.26 -4.77 116.55 100.00 1dvs n ASP 99 Ca -0.11 -0.12 -0.28 0.00 -1.51 0.00 0.00 54.79 52.77 1dvs n ASP 99 Cb 0.32 -1.30 -0.12 0.00 2.34 0.00 0.00 41.12 42.35 1dvs n ASP 99 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1dvs s SER 100 N -3.13 3.97 0.00 1.67 1.04 -1.26 -5.03 113.70 110.96 1dvs s SER 100 Ca 0.05 -3.47 0.00 0.00 0.48 0.00 0.00 55.95 53.01 1dvs s SER 100 Cb -0.01 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1dvs s SER 100 CO 0.13 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1dvs n GLY 101 N 2.44 1.57 3.67 7.32 0.00 -1.26 -4.92 105.19 114.02 1dvs n GLY 101 Ca 0.19 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.88 1dvs n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dvs n PRO 102 N 1.61 2.56 -3.77 1.61 -0.02 -1.26 -4.97 135.00 130.75 1dvs n PRO 102 Ca 0.00 0.94 -0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1dvs n PRO 102 Cb 0.00 -2.83 -0.13 0.00 -0.02 0.00 0.00 33.50 30.52 1dvs n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dvs s ARG 103 N 3.75 0.19 -0.06 -0.52 0.52 -1.26 -4.94 118.95 116.63 1dvs s ARG 103 Ca 0.88 0.37 0.02 0.00 -0.52 0.00 0.00 55.73 56.49 1dvs s ARG 103 Cb -0.55 -0.03 -0.03 0.00 0.52 0.00 0.00 34.95 34.86 1dvs s ARG 103 CO 0.44 -0.10 -0.12 1.03 0.02 0.00 0.00 175.30 176.58 1dvs s ARG 104 N 0.71 2.62 -0.19 3.54 1.81 -1.26 -4.87 118.95 121.31 1dvs s ARG 104 Ca -0.05 -0.65 -0.02 0.00 -1.72 0.00 0.00 55.73 53.30 1dvs s ARG 104 Cb -0.06 -2.46 -0.01 0.00 -0.45 0.00 0.00 34.95 31.97 1dvs s ARG 104 CO -0.04 0.62 -0.10 0.71 -0.68 0.00 0.00 175.30 175.81 1dvs s TYR 105 N -0.71 2.88 -0.23 -0.53 1.51 0.23 -2.57 117.35 117.94 1dvs s TYR 105 Ca 0.11 -0.97 -0.02 0.00 -1.01 0.00 0.00 57.07 55.17 1dvs s TYR 105 Cb -0.11 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1dvs s TYR 105 CO 0.01 -0.49 -0.07 0.99 -1.11 0.00 0.00 175.55 174.88 1dvs s THR 106 N 1.10 3.01 -0.29 -0.71 2.01 -0.54 -0.07 115.64 120.14 1dvs s THR 106 Ca 0.01 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 1dvs s THR 106 Cb -0.15 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1dvs s THR 106 CO -0.02 0.34 0.14 -0.63 -0.69 0.00 0.00 174.62 173.76 1dvs s ILE 107 N 1.39 4.68 0.01 1.82 -1.09 0.11 -1.09 121.20 127.03 1dvs s ILE 107 Ca 0.03 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.27 1dvs s ILE 107 Cb -0.15 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1dvs s ILE 107 CO -0.05 0.17 -0.13 0.00 -1.23 0.00 0.00 174.94 173.70 1dvs s ALA 108 N 1.64 2.78 -0.03 9.38 0.00 -0.37 -0.52 121.76 134.65 1dvs s ALA 108 Ca 0.06 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1dvs s ALA 108 Cb -0.16 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1dvs s ALA 108 CO 0.07 0.59 -0.02 0.00 0.00 0.00 0.00 175.76 176.39 1dvs s ALA 109 N -0.93 0.40 -0.25 0.00 0.00 0.08 -1.33 121.76 119.74 1dvs s ALA 109 Ca 0.15 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 1dvs s ALA 109 Cb -0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1dvs s ALA 109 CO 0.06 -0.01 0.02 -1.17 0.00 0.00 0.00 175.76 174.65 1dvs s LEU 110 N 0.70 3.35 -0.12 0.00 2.96 0.83 -0.60 118.68 125.81 1dvs s LEU 110 Ca -0.08 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.26 1dvs s LEU 110 Cb -0.11 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1dvs s LEU 110 CO -0.01 -0.09 0.08 -0.76 -1.32 0.00 0.00 176.35 174.25 1dvs s LEU 111 N 1.49 4.03 0.11 -0.68 1.43 0.27 -1.44 118.68 123.90 1dvs s LEU 111 Ca 0.04 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1dvs s LEU 111 Cb -0.16 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1dvs s LEU 111 CO -0.00 0.36 -0.08 -0.44 0.23 0.00 0.00 176.35 176.41 1dvs s SER 112 N -0.74 1.40 0.21 2.29 0.01 0.84 -0.95 113.70 116.75 1dvs s SER 112 Ca 0.13 -0.95 -0.08 0.00 1.31 0.00 0.00 55.95 56.35 1dvs s SER 112 Cb -0.12 0.04 0.30 0.00 0.21 0.00 0.00 66.02 66.45 1dvs s SER 112 CO 0.03 -0.37 1.76 -0.65 0.41 0.00 0.00 173.24 174.42 1dvs h PRO 113 N 3.09 0.49 -0.28 12.44 0.11 -1.99 -2.88 132.00 142.99 1dvs h PRO 113 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1dvs h PRO 113 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1dvs h PRO 113 CO 0.61 0.33 0.00 0.66 -0.21 0.00 0.00 178.00 179.39 1dvs n TYR 114 N -4.92 0.79 -3.53 0.65 4.02 -1.26 -1.18 117.16 111.73 1dvs n TYR 114 Ca 0.10 -0.77 -0.16 0.00 -0.01 0.00 0.00 57.90 57.06 1dvs n TYR 114 Cb 0.26 -0.23 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 1dvs n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dvs s SER 115 N -1.67 -0.57 -0.05 7.72 0.15 -1.09 -4.95 113.70 113.25 1dvs s SER 115 Ca 0.36 0.42 -0.18 0.00 0.70 0.00 0.00 55.95 57.25 1dvs s SER 115 Cb 0.27 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 65.15 1dvs s SER 115 CO 0.11 -0.69 0.41 -0.72 1.20 0.00 0.00 173.24 173.54 1dvs s TYR 116 N -1.97 -0.34 -0.01 3.44 -0.85 -1.26 -0.12 117.35 116.24 1dvs s TYR 116 Ca -0.08 0.62 0.06 0.00 -0.52 0.00 0.00 57.07 57.16 1dvs s TYR 116 Cb -0.01 0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 1dvs s TYR 116 CO 0.03 -0.40 -0.19 0.45 -1.52 0.00 0.00 175.55 173.91 1dvs s SER 117 N -0.98 2.27 0.02 -0.18 0.15 -0.52 -4.97 113.70 109.48 1dvs s SER 117 Ca -0.10 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1dvs s SER 117 Cb -0.04 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1dvs s SER 117 CO 0.05 0.23 -0.05 0.28 1.20 0.00 0.00 173.24 174.95 1dvs s THR 118 N -0.47 0.36 0.08 6.45 -1.32 -1.26 -0.12 115.64 119.36 1dvs s THR 118 Ca 0.07 -0.67 -0.04 0.00 -1.21 0.00 0.00 61.69 59.84 1dvs s THR 118 Cb -0.07 -0.40 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1dvs s THR 118 CO -0.01 -0.22 0.08 0.28 -2.21 0.00 0.00 174.62 172.55 1dvs s THR 119 N -0.87 0.17 -0.03 5.08 -1.32 -0.44 -5.00 115.64 113.23 1dvs s THR 119 Ca -0.06 -1.55 0.07 0.00 -1.21 0.00 0.00 61.69 58.93 1dvs s THR 119 Cb -0.07 -1.52 -0.02 0.00 -1.51 0.00 0.00 72.50 69.39 1dvs s THR 119 CO -0.00 -0.77 -0.23 0.00 -2.21 0.00 0.00 174.62 171.41 1dvs s ALA 120 N -3.91 1.92 -0.25 11.08 0.00 -1.26 -1.23 121.76 128.10 1dvs s ALA 120 Ca 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1dvs s ALA 120 Cb 0.06 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1dvs s ALA 120 CO -0.09 0.44 -0.10 0.08 0.00 0.00 0.00 175.76 176.10 1dvs s VAL 121 N -0.43 2.44 -0.32 0.00 1.01 -0.25 -4.99 120.40 117.85 1dvs s VAL 121 Ca 0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 1dvs s VAL 121 Cb -0.10 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1dvs s VAL 121 CO 0.00 0.13 0.05 -0.69 0.00 0.00 0.00 175.10 174.59 1dvs s VAL 122 N 1.22 3.26 0.00 2.92 1.01 -1.26 -1.47 120.40 126.07 1dvs s VAL 122 Ca -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1dvs s VAL 122 Cb -0.18 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1dvs s VAL 122 CO -0.06 -0.18 0.35 0.35 0.00 0.00 0.00 175.10 175.56