#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gha s ASP 38 N 0.00 3.72 0.32 1.20 1.01 -1.26 -4.93 116.67 116.73 3gha s ASP 38 Ca 0.00 -0.97 -0.27 0.00 0.71 0.00 0.00 52.55 52.01 3gha s ASP 38 Cb 0.00 -0.38 -0.13 0.00 1.01 0.00 0.00 42.92 43.42 3gha s ASP 38 CO 0.00 0.04 1.04 0.00 0.21 0.00 0.00 175.17 176.46 3gha n ALA 39 N -0.64 0.02 -1.88 5.23 0.00 -1.21 -4.82 120.51 117.20 3gha n ALA 39 Ca -0.05 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 3gha n ALA 39 Cb 0.60 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 3gha n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3gha s VAL 40 N -1.10 4.27 -0.14 0.00 -7.23 0.24 -5.01 120.40 111.43 3gha s VAL 40 Ca 0.59 1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 62.33 3gha s VAL 40 Cb -0.66 -4.14 -0.03 0.00 0.56 0.00 0.00 36.38 32.11 3gha s VAL 40 CO 0.60 0.40 0.68 -0.94 -0.31 0.00 0.00 175.10 175.53 3gha s SER 41 N -1.31 6.84 0.00 4.85 1.04 -1.26 -4.89 113.70 118.96 3gha s SER 41 Ca 0.41 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.85 3gha s SER 41 Cb -0.22 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3gha s SER 41 CO 0.27 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.88 3gha n GLY 42 N 3.46 2.79 3.60 7.32 0.00 -0.89 -5.05 105.19 116.42 3gha n GLY 42 Ca -0.01 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3gha n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gha s GLN 43 N -2.00 3.84 0.38 1.61 2.00 -1.26 -4.43 119.66 119.79 3gha s GLN 43 Ca 0.00 0.53 -0.25 0.00 -2.00 0.00 0.00 55.36 53.63 3gha s GLN 43 Cb 0.00 -3.79 -0.09 0.00 0.80 0.00 0.00 33.01 29.93 3gha s GLN 43 CO 0.00 -0.89 1.12 -1.25 -0.50 0.00 0.00 175.29 173.77 3gha s PRO 44 N 3.33 4.18 0.12 1.67 0.04 -1.26 -4.98 135.00 138.10 3gha s PRO 44 Ca 0.36 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 3gha s PRO 44 Cb -0.12 -2.72 -0.07 0.00 0.04 0.00 0.00 34.50 31.63 3gha s PRO 44 CO 0.17 -0.18 1.23 0.45 0.04 0.00 0.00 177.00 178.71 3gha s SER 45 N -1.22 7.04 -0.11 6.66 0.15 -1.26 -4.92 113.70 120.04 3gha s SER 45 Ca 0.55 2.16 0.18 0.00 0.70 0.00 0.00 55.95 59.54 3gha s SER 45 Cb -0.28 -2.59 0.70 0.00 -1.71 0.00 0.00 66.02 62.13 3gha s SER 45 CO 0.36 -0.46 1.61 2.30 1.20 0.00 0.00 173.24 178.25 3gha n ILE 46 N 3.31 1.80 -1.71 6.45 -5.35 -1.26 -4.96 119.36 117.64 3gha n ILE 46 Ca 0.07 -1.22 -0.43 0.00 -0.27 0.00 0.00 62.75 60.91 3gha n ILE 46 Cb 0.45 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.46 3gha n ILE 46 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3gha n LYS 47 N 1.06 2.69 -0.94 6.28 4.81 -1.26 -1.38 118.16 129.42 3gha n LYS 47 Ca 0.25 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.66 3gha n LYS 47 Cb 0.87 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 33.10 3gha n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gha n GLY 48 N 3.91 0.70 3.93 3.14 0.00 -1.26 -5.02 105.19 110.60 3gha n GLY 48 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3gha n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gha s GLN 49 N -0.23 3.50 0.32 1.61 -1.52 -0.48 -5.06 119.66 117.81 3gha s GLN 49 Ca 0.00 -0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 52.72 3gha s GLN 49 Cb 0.00 -2.87 -0.12 0.00 -0.22 0.00 0.00 33.01 29.80 3gha s GLN 49 CO 0.00 0.43 1.46 -2.30 -0.25 0.00 0.00 175.29 174.63 3gha n PRO 50 N -0.63 2.45 -3.90 2.91 -0.02 -1.26 -4.96 135.00 129.60 3gha n PRO 50 Ca -0.05 0.87 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3gha n PRO 50 Cb 0.54 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 3gha n PRO 50 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gha s VAL 51 N -0.62 0.08 -0.11 -1.45 0.11 -1.26 -3.12 120.40 114.04 3gha s VAL 51 Ca 0.59 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.71 3gha s VAL 51 Cb -0.53 -0.12 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 3gha s VAL 51 CO 0.57 0.06 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.96 3gha s LEU 52 N 0.42 2.03 0.00 2.54 2.96 0.86 -4.95 118.68 122.53 3gha s LEU 52 Ca -0.04 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 3gha s LEU 52 Cb -0.06 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.28 3gha s LEU 52 CO -0.01 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 3gha n GLY 53 N 3.70 0.90 3.76 7.98 0.00 -1.26 -0.39 105.19 119.89 3gha n GLY 53 Ca -0.20 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.18 3gha n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gha s LYS 54 N -0.99 4.45 0.29 1.61 -0.14 -1.26 -4.92 119.74 118.78 3gha s LYS 54 Ca 0.00 1.83 0.01 0.00 -1.36 0.00 0.00 55.97 56.45 3gha s LYS 54 Cb 0.00 -3.02 0.54 0.00 -1.68 0.00 0.00 37.83 33.67 3gha s LYS 54 CO 0.00 0.03 1.87 -0.44 -0.76 0.00 0.00 175.35 176.06 3gha h ASP 55 N 3.42 0.92 -0.36 2.83 3.32 -1.97 -2.02 116.42 122.57 3gha h ASP 55 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3gha h ASP 55 Cb 1.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3gha h ASP 55 CO 0.65 0.55 0.00 -0.90 -1.72 0.00 0.00 179.24 177.82 3gha n ASP 56 N -4.54 2.06 -4.69 6.45 5.75 -1.26 -4.94 116.55 115.38 3gha n ASP 56 Ca 0.16 -1.96 -0.44 0.00 -0.01 0.00 0.00 54.79 52.54 3gha n ASP 56 Cb 0.28 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 3gha n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gha n ALA 57 N 0.62 1.54 0.23 2.12 0.00 -0.76 -4.88 120.51 119.38 3gha n ALA 57 Ca 0.14 0.41 0.13 0.00 0.00 0.00 0.00 53.44 54.12 3gha n ALA 57 Cb 0.34 -2.35 0.42 0.00 0.00 0.00 0.00 19.45 17.86 3gha n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gha h PRO 58 N 4.99 0.00 -5.51 0.00 0.13 -1.75 -3.43 132.00 126.42 3gha h PRO 58 Ca -0.45 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 3gha h PRO 58 Cb 1.26 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.08 3gha h PRO 58 CO 0.82 0.10 -0.84 0.08 -0.23 0.00 0.00 178.00 177.92 3gha s VAL 59 N -3.46 2.38 -0.21 1.56 1.01 -0.97 -5.00 120.40 115.72 3gha s VAL 59 Ca 0.03 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 3gha s VAL 59 Cb 0.08 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3gha s VAL 59 CO 0.62 0.55 0.03 -0.89 0.00 0.00 0.00 175.10 175.42 3gha s THR 60 N 0.19 4.24 -0.20 3.92 2.01 -1.26 -1.17 115.64 123.38 3gha s THR 60 Ca -0.12 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 3gha s THR 60 Cb -0.16 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3gha s THR 60 CO 0.07 0.41 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.71 3gha s VAL 61 N 1.01 3.87 -0.11 3.82 1.01 -0.09 -0.22 120.40 129.69 3gha s VAL 61 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3gha s VAL 61 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3gha s VAL 61 CO 0.02 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.69 3gha s VAL 62 N 0.96 2.62 -0.23 2.92 1.01 -0.24 -0.79 120.40 126.65 3gha s VAL 62 Ca 0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3gha s VAL 62 Cb -0.14 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3gha s VAL 62 CO 0.02 0.54 0.07 -0.70 0.00 0.00 0.00 175.10 175.03 3gha s GLU 63 N 0.30 3.77 -0.42 2.72 2.12 0.10 -0.55 118.70 126.74 3gha s GLU 63 Ca -0.13 -0.43 -0.20 0.00 0.36 0.00 0.00 54.97 54.56 3gha s GLU 63 Cb -0.17 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.96 3gha s GLU 63 CO 0.07 -0.03 0.62 -0.06 -0.54 0.00 0.00 175.26 175.32 3gha s PHE 64 N 1.19 3.09 0.30 5.30 0.08 0.07 -0.67 117.98 127.33 3gha s PHE 64 Ca 0.05 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.08 3gha s PHE 64 Cb -0.14 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.02 3gha s PHE 64 CO 0.03 -0.81 0.31 0.20 -0.10 0.00 0.00 175.22 174.86 3gha s GLY 65 N 1.95 1.80 -0.07 4.36 0.00 -0.70 -1.53 107.32 113.13 3gha s GLY 65 Ca 0.22 -1.77 -0.03 0.00 0.00 0.00 0.00 44.72 43.13 3gha s GLY 65 CO 0.18 -1.28 0.15 -0.35 0.00 0.00 0.00 173.10 171.80 3gha s ASP 66 N -3.27 0.11 0.47 1.64 -1.08 -1.26 -0.24 116.67 113.04 3gha s ASP 66 Ca 0.37 0.32 0.32 0.00 -0.52 0.00 0.00 52.55 53.03 3gha s ASP 66 Cb 0.02 0.22 1.63 0.00 -1.46 0.00 0.00 42.92 43.33 3gha s ASP 66 CO 0.21 -0.18 1.97 1.88 0.52 0.00 0.00 175.17 179.57 3gha h TYR 67 N 7.55 0.00 -0.02 -5.34 0.05 -1.90 -1.67 116.97 115.64 3gha h TYR 67 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.43 3gha h TYR 67 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3gha h TYR 67 CO 0.43 0.00 -0.10 1.63 -1.05 0.00 0.00 178.16 179.07 3gha n LYS 68 N -2.66 1.83 -2.82 4.88 5.02 -1.26 -4.84 118.16 118.31 3gha n LYS 68 Ca -0.01 -1.38 -0.42 0.00 -2.02 0.00 0.00 58.31 54.48 3gha n LYS 68 Cb 0.11 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3gha n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gha h PRO 70 N 7.45 0.00 -0.05 0.00 0.13 -1.91 -2.05 132.00 135.57 3gha h PRO 70 Ca -0.25 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 3gha h PRO 70 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3gha h PRO 70 CO 0.88 0.23 -0.70 0.77 -0.23 0.00 0.00 178.00 178.95 3gha h SER 71 N 0.00 0.31 0.09 1.44 0.02 -1.92 -2.31 113.55 111.17 3gha h SER 71 Ca -0.00 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 3gha h SER 71 Cb 0.54 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3gha h SER 71 CO 0.03 0.91 -0.28 0.00 -1.14 0.00 0.00 176.83 176.35 3gha h LYS 73 N 0.27 0.80 -0.51 0.00 3.64 -1.15 -0.83 116.57 118.79 3gha h LYS 73 Ca 0.04 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 3gha h LYS 73 Cb 0.64 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3gha h LYS 73 CO 0.05 0.70 0.19 0.28 -2.27 0.00 0.00 179.45 178.40 3gha h VAL 74 N 0.72 1.22 -0.53 2.00 2.07 -1.11 -1.94 116.25 118.68 3gha h VAL 74 Ca 0.18 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3gha h VAL 74 Cb 0.21 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3gha h VAL 74 CO -0.01 0.26 0.30 0.15 0.02 0.00 0.00 177.57 178.29 3gha h PHE 75 N 0.69 0.57 -0.84 1.57 3.57 -0.85 0.20 116.94 121.85 3gha h PHE 75 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3gha h PHE 75 Cb 0.22 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3gha h PHE 75 CO 0.01 0.31 0.55 -0.97 -2.23 0.00 0.00 178.31 175.98 3gha h ASN 76 N 0.60 0.97 0.39 0.41 -1.24 -0.81 0.57 115.58 116.48 3gha h ASN 76 Ca 0.22 -0.03 -0.32 0.00 0.71 0.00 0.00 56.30 56.89 3gha h ASN 76 Cb 0.06 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 3gha h ASN 76 CO -0.12 0.71 -1.67 0.77 -1.29 0.00 0.00 177.43 175.82 3gha h SER 77 N 1.14 0.30 0.00 1.15 4.64 -1.03 -3.38 113.55 116.37 3gha h SER 77 Ca 0.31 -0.51 -0.32 0.00 -0.47 0.00 0.00 61.79 60.80 3gha h SER 77 Cb -0.12 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 61.81 3gha h SER 77 CO -0.07 1.44 -2.19 0.47 -0.87 0.00 0.00 176.83 175.61 3gha n ASP 78 N -3.37 0.89 -0.06 4.97 9.92 0.67 -4.65 116.55 124.92 3gha n ASP 78 Ca -0.20 -0.01 -0.12 0.00 -0.53 0.00 0.00 54.79 53.93 3gha n ASP 78 Cb 1.04 0.80 -0.04 0.00 -0.64 0.00 0.00 41.12 42.28 3gha n ASP 78 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3gha n ILE 79 N -2.69 0.65 -0.21 0.53 2.08 -0.65 -4.62 119.36 114.45 3gha n ILE 79 Ca -0.29 -0.17 0.01 0.00 0.56 0.00 0.00 62.75 62.85 3gha n ILE 79 Cb 1.05 -1.58 0.11 0.00 -0.75 0.00 0.00 39.64 38.47 3gha n ILE 79 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 3gha h PHE 80 N -0.38 0.35 -0.21 1.39 3.57 -1.11 -0.47 116.94 120.07 3gha h PHE 80 Ca -0.29 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.30 3gha h PHE 80 Cb 1.27 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3gha h PHE 80 CO -0.03 0.06 0.16 -1.35 -2.23 0.00 0.00 178.31 174.92 3gha h PRO 81 N 0.37 0.00 -0.24 6.41 0.11 -1.82 0.53 132.00 137.36 3gha h PRO 81 Ca 0.32 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.29 3gha h PRO 81 Cb 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3gha h PRO 81 CO -0.34 0.00 -0.38 0.87 -0.21 0.00 0.00 178.00 177.93 3gha h LYS 82 N 0.00 0.68 -0.86 1.05 1.57 -1.36 -1.54 116.57 116.11 3gha h LYS 82 Ca 0.10 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3gha h LYS 82 Cb 0.43 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3gha h LYS 82 CO -0.00 1.03 0.51 0.82 -0.57 0.00 0.00 179.45 181.24 3gha h ILE 83 N 0.39 1.24 -0.45 1.86 2.04 -0.74 -0.09 117.51 121.75 3gha h ILE 83 Ca 0.02 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 3gha h ILE 83 Cb 0.98 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3gha h ILE 83 CO 0.09 0.25 0.09 -0.61 0.00 0.00 0.00 178.15 177.97 3gha h GLN 84 N 1.18 0.74 -0.13 2.37 4.15 -0.82 -0.63 115.11 121.97 3gha h GLN 84 Ca 0.31 -0.19 -0.18 0.00 0.77 0.00 0.00 58.65 59.36 3gha h GLN 84 Cb -0.04 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.56 3gha h GLN 84 CO -0.06 0.75 -0.61 -0.22 -1.93 0.00 0.00 178.83 176.76 3gha h LYS 85 N 0.61 0.64 0.00 1.69 3.64 -1.09 -0.56 116.57 121.49 3gha h LYS 85 Ca 0.14 -0.52 -0.18 0.00 -1.27 0.00 0.00 60.65 58.83 3gha h LYS 85 Cb 0.36 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3gha h LYS 85 CO 0.01 1.13 -0.85 -0.44 -2.27 0.00 0.00 179.45 177.03 3gha h ASP 86 N 0.29 0.00 0.00 4.20 3.32 -1.02 -3.42 116.42 119.79 3gha h ASP 86 Ca -0.04 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3gha h ASP 86 Cb 1.25 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3gha h ASP 86 CO 0.13 0.85 -0.32 0.49 -1.72 0.00 0.00 179.24 178.67 3gha n PHE 87 N -3.53 0.00 -0.05 4.55 3.72 -0.31 -4.79 117.46 117.04 3gha n PHE 87 Ca -0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 3gha n PHE 87 Cb 0.81 0.12 -0.07 0.00 -0.94 0.00 0.00 39.48 39.39 3gha n PHE 87 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3gha h ILE 88 N 0.00 1.37 -0.62 4.37 2.04 -1.17 -0.24 117.51 123.25 3gha h ILE 88 Ca 0.00 -1.54 0.06 0.00 1.00 0.00 0.00 64.86 64.38 3gha h ILE 88 Cb 0.32 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3gha h ILE 88 CO 0.00 0.46 0.41 0.44 0.00 0.00 0.00 178.15 179.46 3gha h ASP 89 N 0.04 0.54 -0.29 1.72 3.32 -1.35 -1.37 116.42 119.03 3gha h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gha h ASP 89 Cb 0.87 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3gha h ASP 89 CO 0.06 0.35 0.00 2.29 -1.72 0.00 0.00 179.24 180.22 3gha n LYS 90 N -4.48 1.97 -0.78 3.56 2.85 -1.18 -4.94 118.16 115.17 3gha n LYS 90 Ca 0.09 -1.48 0.00 0.00 -1.05 0.00 0.00 58.31 55.87 3gha n LYS 90 Cb 0.23 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 3gha n LYS 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gha n GLY 91 N 1.23 0.59 0.07 2.58 0.00 -0.52 -4.95 105.19 104.20 3gha n GLY 91 Ca 0.16 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3gha n GLY 91 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gha h ASP 92 N 0.00 0.07 -3.99 1.61 3.32 -1.25 -3.38 116.42 112.79 3gha h ASP 92 Ca 0.00 -0.09 -0.47 0.00 0.02 0.00 0.00 57.03 56.50 3gha h ASP 92 Cb 0.00 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 39.23 3gha h ASP 92 CO 0.00 1.07 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.10 3gha s VAL 93 N -2.66 1.00 -0.07 -1.35 1.01 -1.11 -2.29 120.40 114.93 3gha s VAL 93 Ca -0.02 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3gha s VAL 93 Cb 0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3gha s VAL 93 CO 0.83 0.29 -0.09 -1.59 0.00 0.00 0.00 175.10 174.54 3gha s LYS 94 N -0.07 2.71 -0.04 2.72 -2.85 -0.32 -4.32 119.74 117.57 3gha s LYS 94 Ca 0.01 -0.59 0.05 0.00 -1.00 0.00 0.00 55.97 54.43 3gha s LYS 94 Cb -0.07 -2.54 -0.02 0.00 -2.06 0.00 0.00 37.83 33.14 3gha s LYS 94 CO 0.00 0.64 -0.19 0.12 0.10 0.00 0.00 175.35 176.02 3gha s PHE 95 N -0.74 2.57 0.07 1.78 5.36 0.47 -0.92 117.98 126.58 3gha s PHE 95 Ca 0.11 -0.30 0.04 0.00 -0.96 0.00 0.00 56.93 55.83 3gha s PHE 95 Cb -0.11 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.95 3gha s PHE 95 CO 0.01 0.08 -0.12 0.45 -1.46 0.00 0.00 175.22 174.17 3gha s SER 96 N -0.62 1.51 -0.09 6.13 0.15 0.03 -0.10 113.70 120.71 3gha s SER 96 Ca 0.09 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 56.12 3gha s SER 96 Cb -0.11 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 3gha s SER 96 CO 0.00 -0.14 -0.18 0.12 1.20 0.00 0.00 173.24 174.25 3gha s PHE 97 N -1.56 2.05 -0.12 3.44 5.36 -1.18 -0.72 117.98 125.25 3gha s PHE 97 Ca -0.01 -0.85 0.01 0.00 -0.96 0.00 0.00 56.93 55.12 3gha s PHE 97 Cb -0.08 -1.43 -0.01 0.00 -0.34 0.00 0.00 43.02 41.16 3gha s PHE 97 CO 0.02 -0.39 -0.17 0.08 -1.46 0.00 0.00 175.22 173.29 3gha s VAL 98 N 0.61 2.62 0.23 3.12 1.01 0.15 -4.26 120.40 123.88 3gha s VAL 98 Ca -0.14 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3gha s VAL 98 Cb -0.16 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 3gha s VAL 98 CO 0.05 0.54 1.25 0.20 0.00 0.00 0.00 175.10 177.13 3gha s ASN 99 N 0.43 6.97 -0.04 3.32 0.01 -1.26 -1.72 114.94 122.65 3gha s ASN 99 Ca -0.13 2.39 0.05 0.00 -0.71 0.00 0.00 52.86 54.47 3gha s ASN 99 Cb -0.17 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.87 3gha s ASN 99 CO 0.06 -0.44 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.32 3gha s VAL 100 N -0.33 1.64 -0.85 1.60 1.01 0.66 -4.47 120.40 119.66 3gha s VAL 100 Ca 0.53 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3gha s VAL 100 Cb -0.35 -1.39 0.21 0.00 0.00 0.00 0.00 36.38 34.85 3gha s VAL 100 CO 0.41 0.47 0.75 -0.04 0.00 0.00 0.00 175.10 176.68 3gha s MET 101 N -0.11 3.31 -0.00 2.72 -1.94 -1.26 -4.24 119.30 117.79 3gha s MET 101 Ca -0.02 -2.93 0.11 0.00 -1.71 0.00 0.00 55.69 51.14 3gha s MET 101 Cb -0.12 -4.09 -0.12 0.00 2.01 0.00 0.00 34.83 32.52 3gha s MET 101 CO 0.02 -1.24 0.45 1.19 -0.01 0.00 0.00 175.02 175.43 3gha n PHE 102 N 2.98 0.00 -2.17 -0.03 3.72 -1.26 -4.71 117.46 115.99 3gha n PHE 102 Ca 0.17 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.32 3gha n PHE 102 Cb 0.39 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.94 3gha n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3gha n HIS 103 N -1.26 2.99 -4.26 1.38 8.25 -1.26 -5.10 115.22 115.96 3gha n HIS 103 Ca 0.02 -2.55 0.00 0.00 -0.26 0.00 0.00 57.72 54.93 3gha n HIS 103 Cb 0.17 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.00 3gha n HIS 103 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gha n GLY 104 N -0.63 -0.13 0.35 -1.41 0.00 -1.26 -3.77 105.19 98.34 3gha n GLY 104 Ca 0.43 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 3gha n GLY 104 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gha h LYS 105 N 0.00 1.12 -0.38 1.61 3.11 -2.00 -2.33 116.57 117.71 3gha h LYS 105 Ca 0.00 -0.10 -0.07 0.00 -2.81 0.00 0.00 60.65 57.67 3gha h LYS 105 Cb 0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 30.98 3gha h LYS 105 CO 0.00 0.79 -0.06 0.78 -2.81 0.00 0.00 179.45 178.15 3gha h GLY 106 N 1.16 0.68 1.07 5.01 0.00 -1.87 -1.32 103.07 107.80 3gha h GLY 106 Ca 0.30 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3gha h GLY 106 CO -0.05 0.42 0.41 1.76 0.00 0.00 0.00 176.54 179.08 3gha h SER 107 N 0.59 1.09 -0.22 0.19 0.02 -1.51 -1.62 113.55 112.09 3gha h SER 107 Ca 0.11 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3gha h SER 107 Cb 0.46 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3gha h SER 107 CO 0.02 0.91 -0.17 -0.09 -1.14 0.00 0.00 176.83 176.36 3gha h ARG 108 N 1.19 0.50 -0.29 3.45 2.43 -1.21 -1.51 114.38 118.94 3gha h ARG 108 Ca 0.29 -0.25 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3gha h ARG 108 Cb 0.10 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3gha h ARG 108 CO -0.04 0.82 0.01 -0.07 -1.51 0.00 0.00 179.97 179.18 3gha h LEU 109 N 0.19 -0.10 -0.87 3.80 3.38 -1.19 -0.48 115.31 120.05 3gha h LEU 109 Ca 0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3gha h LEU 109 Cb 0.71 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3gha h LEU 109 CO 0.05 -0.01 0.52 0.00 0.09 0.00 0.00 178.44 179.08 3gha h ALA 110 N 1.24 1.11 -0.38 1.53 0.00 -1.25 -1.79 119.26 119.72 3gha h ALA 110 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3gha h ALA 110 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gha h ALA 110 CO -0.22 0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.66 3gha h ALA 111 N 1.28 0.50 -0.79 0.00 0.00 -0.80 -0.71 119.26 118.74 3gha h ALA 111 Ca 0.31 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3gha h ALA 111 Cb -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3gha h ALA 111 CO -0.06 0.20 0.50 -0.07 0.00 0.00 0.00 179.25 179.82 3gha h LEU 112 N 0.47 0.81 -0.47 0.00 3.38 -0.81 -0.99 115.31 117.71 3gha h LEU 112 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3gha h LEU 112 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3gha h LEU 112 CO 0.01 0.55 0.14 0.00 0.09 0.00 0.00 178.44 179.23 3gha h ALA 113 N 1.34 0.62 -0.72 1.53 0.00 -1.05 -2.52 119.26 118.46 3gha h ALA 113 Ca 0.32 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3gha h ALA 113 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3gha h ALA 113 CO -0.13 0.28 0.47 1.03 0.00 0.00 0.00 179.25 180.90 3gha h SER 114 N 0.63 0.82 -0.50 0.00 0.87 -0.58 -1.94 113.55 112.84 3gha h SER 114 Ca 0.15 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3gha h SER 114 Cb 0.28 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3gha h SER 114 CO -0.00 0.59 0.08 -0.08 -0.53 0.00 0.00 176.83 176.89 3gha h GLU 115 N 0.97 0.89 -0.55 2.24 4.57 -1.10 -2.08 114.58 119.52 3gha h GLU 115 Ca 0.26 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 3gha h GLU 115 Cb -0.11 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 3gha h GLU 115 CO -0.06 0.83 0.12 1.49 -1.18 0.00 0.00 179.01 180.21 3gha h GLU 116 N 0.84 0.89 -0.43 1.92 4.81 -1.01 -2.45 114.58 119.16 3gha h GLU 116 Ca 0.17 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3gha h GLU 116 Cb 0.38 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3gha h GLU 116 CO 0.01 0.84 0.16 0.28 -0.73 0.00 0.00 179.01 179.57 3gha h VAL 117 N 0.78 1.21 -0.87 0.32 2.07 -1.12 -0.35 116.25 118.29 3gha h VAL 117 Ca 0.17 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3gha h VAL 117 Cb 0.36 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3gha h VAL 117 CO 0.00 0.24 0.53 -0.25 0.02 0.00 0.00 177.57 178.11 3gha h TRP 118 N 0.55 0.98 -0.15 1.57 2.91 -1.29 -0.15 115.95 120.37 3gha h TRP 118 Ca 0.14 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.09 3gha h TRP 118 Cb 0.21 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.55 3gha h TRP 118 CO 0.00 0.48 -0.29 -0.22 -1.03 0.00 0.00 178.44 177.38 3gha h LYS 119 N 0.95 0.46 0.00 2.65 1.63 -1.09 -3.22 116.57 117.96 3gha h LYS 119 Ca 0.39 -0.30 -0.24 0.00 -0.85 0.00 0.00 60.65 59.65 3gha h LYS 119 Cb 0.22 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 3gha h LYS 119 CO -0.19 0.90 -1.69 0.39 -3.45 0.00 0.00 179.45 175.41 3gha n GLU 120 N -4.39 0.64 -3.00 1.90 1.02 -0.17 -4.61 120.64 112.02 3gha n GLU 120 Ca -0.07 0.21 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 3gha n GLU 120 Cb 0.47 -1.75 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3gha n GLU 120 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3gha n ASP 121 N -2.91 -0.90 0.22 1.62 2.03 -0.08 -4.99 116.55 111.54 3gha n ASP 121 Ca -0.16 -3.09 0.08 0.00 0.52 0.00 0.00 54.79 52.15 3gha n ASP 121 Cb 0.96 0.43 0.61 0.00 -0.72 0.00 0.00 41.12 42.41 3gha n ASP 121 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gha h PRO 122 N 3.62 0.07 0.00 -0.67 0.13 -1.55 -1.64 132.00 131.96 3gha h PRO 122 Ca -0.01 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3gha h PRO 122 Cb 0.97 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 3gha h PRO 122 CO 0.38 0.05 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.72 3gha h ASP 123 N 0.07 0.00 -0.02 1.44 3.32 -1.90 -1.49 116.42 117.84 3gha h ASP 123 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gha h ASP 123 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3gha h ASP 123 CO -0.00 0.04 -0.29 -1.20 -1.72 0.00 0.00 179.24 176.07 3gha n SER 124 N -3.28 2.33 -0.17 6.45 7.64 -0.64 -4.71 113.62 121.25 3gha n SER 124 Ca -0.01 -1.67 -0.04 0.00 1.01 0.00 0.00 58.87 58.16 3gha n SER 124 Cb 0.20 0.30 0.06 0.00 -1.01 0.00 0.00 64.21 63.76 3gha n SER 124 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3gha h PHE 125 N 3.17 0.44 0.00 1.43 3.57 -1.08 -1.97 116.94 122.49 3gha h PHE 125 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3gha h PHE 125 Cb 0.82 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3gha h PHE 125 CO 0.00 0.19 0.00 -1.49 -2.23 0.00 0.00 178.31 174.78 3gha h TRP 126 N 0.46 0.00 -0.02 0.41 4.06 -1.84 0.07 115.95 119.09 3gha h TRP 126 Ca 0.24 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.05 3gha h TRP 126 Cb 0.18 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.35 3gha h TRP 126 CO -0.12 0.00 -0.53 -0.44 -3.56 0.00 0.00 178.44 173.79 3gha h ASP 127 N 0.00 0.51 -0.48 -3.49 3.32 -1.70 -2.57 116.42 112.00 3gha h ASP 127 Ca 0.00 -0.73 0.01 0.00 0.02 0.00 0.00 57.03 56.33 3gha h ASP 127 Cb 0.67 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3gha h ASP 127 CO 0.00 1.17 0.31 0.15 -1.72 0.00 0.00 179.24 179.15 3gha h PHE 128 N -0.11 0.59 -0.09 4.55 3.57 -1.01 -2.31 116.94 122.14 3gha h PHE 128 Ca -0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3gha h PHE 128 Cb 1.23 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 3gha h PHE 128 CO 0.14 0.36 -0.06 1.25 -2.23 0.00 0.00 178.31 177.77 3gha h HIS 129 N 0.63 -0.14 -0.65 0.41 2.76 -1.06 -0.87 115.15 116.23 3gha h HIS 129 Ca 0.18 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3gha h HIS 129 Cb -0.05 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3gha h HIS 129 CO -0.05 -0.10 0.19 0.93 -1.30 0.00 0.00 177.93 177.61 3gha h GLU 130 N -0.07 0.99 -0.04 5.26 5.08 -1.40 -2.51 114.58 121.89 3gha h GLU 130 Ca 0.06 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3gha h GLU 130 Cb 0.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3gha h GLU 130 CO -0.13 0.86 -0.46 0.87 -1.00 0.00 0.00 179.01 179.15 3gha h LYS 131 N 0.96 0.10 -0.38 2.33 1.79 -1.00 -0.93 116.57 119.43 3gha h LYS 131 Ca 0.21 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.51 3gha h LYS 131 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3gha h LYS 131 CO -0.01 0.54 -0.23 1.25 -1.08 0.00 0.00 179.45 179.92 3gha h LEU 132 N 0.08 0.86 -0.73 2.94 5.85 -0.93 -1.23 115.31 122.15 3gha h LEU 132 Ca 0.00 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 3gha h LEU 132 Cb 0.84 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3gha h LEU 132 CO 0.06 1.10 0.28 -0.26 -0.34 0.00 0.00 178.44 179.28 3gha h PHE 133 N 0.63 1.13 -0.09 1.25 0.04 -1.29 -2.62 116.94 115.98 3gha h PHE 133 Ca 0.08 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 3gha h PHE 133 Cb 0.80 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3gha h PHE 133 CO 0.06 0.87 -0.14 0.93 -0.60 0.00 0.00 178.31 179.43 3gha h GLU 134 N 1.06 0.14 0.00 1.51 5.08 -0.98 -2.24 114.58 119.15 3gha h GLU 134 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3gha h GLU 134 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3gha h GLU 134 CO -0.02 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 179.90 3gha n LYS 135 N -4.31 0.21 -1.82 2.33 4.76 -0.48 -4.81 118.16 114.04 3gha n LYS 135 Ca -0.01 0.23 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 3gha n LYS 135 Cb 0.25 -1.77 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 3gha n LYS 135 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3gha s GLN 136 N -3.13 4.17 0.71 1.97 0.74 -0.85 -4.97 119.66 118.30 3gha s GLN 136 Ca 0.10 2.45 -0.07 0.00 0.05 0.00 0.00 55.36 57.88 3gha s GLN 136 Cb 0.12 -3.77 0.06 0.00 1.10 0.00 0.00 33.01 30.52 3gha s GLN 136 CO 0.54 -0.83 1.02 -1.25 -0.55 0.00 0.00 175.29 174.22 3gha s PRO 137 N 3.25 2.25 -0.29 1.67 0.04 -1.26 -4.97 135.00 135.69 3gha s PRO 137 Ca 0.79 -0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.70 3gha s PRO 137 Cb -0.41 -2.15 0.56 0.00 0.04 0.00 0.00 34.50 32.54 3gha s PRO 137 CO 0.35 -1.23 1.62 -0.25 0.04 0.00 0.00 177.00 177.53 3gha n ASP 138 N -2.93 4.01 -4.65 6.66 8.00 -1.26 -4.88 116.55 121.49 3gha n ASP 138 Ca 0.08 -3.05 -0.24 0.00 0.71 0.00 0.00 54.79 52.30 3gha n ASP 138 Cb 0.60 -0.72 -0.07 0.00 -0.02 0.00 0.00 41.12 40.91 3gha n ASP 138 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gha s THR 139 N -2.48 3.53 -0.92 -3.53 -4.23 -1.26 -5.06 115.64 101.68 3gha s THR 139 Ca 0.43 -1.80 0.23 0.00 -1.18 0.00 0.00 61.69 59.37 3gha s THR 139 Cb 0.35 -2.86 -0.09 0.00 1.34 0.00 0.00 72.50 71.24 3gha s THR 139 CO 0.10 -0.32 1.19 1.21 -0.54 0.00 0.00 174.62 176.26 3gha n GLU 140 N -0.75 0.06 -2.39 3.99 2.13 -1.26 -4.94 120.64 117.48 3gha n GLU 140 Ca -0.07 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.43 3gha n GLU 140 Cb 0.58 -1.52 -0.03 0.00 0.27 0.00 0.00 31.44 30.74 3gha n GLU 140 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3gha s GLN 141 N -3.04 3.93 0.25 5.31 -1.52 -1.26 -4.96 119.66 118.36 3gha s GLN 141 Ca 0.09 0.93 -0.31 0.00 -1.95 0.00 0.00 55.36 54.12 3gha s GLN 141 Cb 0.16 -2.14 -0.14 0.00 -0.22 0.00 0.00 33.01 30.67 3gha s GLN 141 CO 0.77 -0.28 1.28 -1.91 -0.25 0.00 0.00 175.29 174.90 3gha n GLU 142 N -1.62 1.78 0.00 2.91 4.07 -1.26 -4.88 120.64 121.63 3gha n GLU 142 Ca 0.06 0.63 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 3gha n GLU 142 Cb 0.54 -2.20 0.00 0.00 -0.06 0.00 0.00 31.44 29.72 3gha n GLU 142 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 3gha n TRP 143 N 1.32 0.00 -3.01 4.31 4.27 -1.26 -5.05 117.44 118.02 3gha n TRP 143 Ca 0.11 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.31 3gha n TRP 143 Cb 0.31 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.20 3gha n TRP 143 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3gha s VAL 144 N -0.37 4.91 0.17 -1.67 1.01 -1.26 -4.96 120.40 118.24 3gha s VAL 144 Ca 0.00 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.28 3gha s VAL 144 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3gha s VAL 144 CO 0.00 -0.04 0.00 0.42 0.00 0.00 0.00 175.10 175.48 3gha s THR 145 N 2.68 0.65 0.29 3.92 -4.23 -1.26 -4.80 115.64 112.89 3gha s THR 145 Ca 0.30 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 3gha s THR 145 Cb -0.15 -2.12 0.18 0.00 1.34 0.00 0.00 72.50 71.75 3gha s THR 145 CO 0.09 -0.47 1.87 -0.65 -0.54 0.00 0.00 174.62 174.91 3gha h PRO 146 N 2.70 0.84 -0.91 3.99 0.11 -1.98 -2.42 132.00 134.33 3gha h PRO 146 Ca -0.37 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gha h PRO 146 Cb 1.20 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3gha h PRO 146 CO 0.62 0.71 0.56 0.78 -0.21 0.00 0.00 178.00 180.47 3gha h GLY 147 N 0.96 1.31 0.91 -0.55 0.00 -1.98 0.74 103.07 104.46 3gha h GLY 147 Ca 0.19 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3gha h GLY 147 CO -0.01 0.52 0.06 -2.00 0.00 0.00 0.00 176.54 175.10 3gha h LEU 148 N 1.25 0.15 -0.94 3.11 6.46 -1.82 -1.77 115.31 121.75 3gha h LEU 148 Ca 0.33 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.88 3gha h LEU 148 Cb -0.07 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3gha h LEU 148 CO -0.06 0.21 -0.23 -0.07 -0.62 0.00 0.00 178.44 177.67 3gha h LEU 149 N 0.07 0.50 -0.83 2.25 3.38 -1.15 -2.52 115.31 117.00 3gha h LEU 149 Ca 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3gha h LEU 149 Cb 0.11 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3gha h LEU 149 CO -0.01 0.74 0.52 1.23 0.09 0.00 0.00 178.44 181.01 3gha h GLY 150 N 1.01 1.19 1.45 0.83 0.00 -0.69 -2.25 103.07 104.61 3gha h GLY 150 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3gha h GLY 150 CO 0.05 0.46 0.02 -0.55 0.00 0.00 0.00 176.54 176.52 3gha h ASP 151 N 1.14 0.65 -0.33 0.19 3.32 -0.91 -2.19 116.42 118.29 3gha h ASP 151 Ca 0.30 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3gha h ASP 151 Cb -0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3gha h ASP 151 CO -0.06 0.71 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.95 3gha h LEU 152 N 0.65 0.70 -0.70 1.55 3.38 -1.26 -2.57 115.31 117.06 3gha h LEU 152 Ca 0.13 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.80 3gha h LEU 152 Cb 0.38 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3gha h LEU 152 CO 0.01 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.82 3gha h ALA 153 N 0.78 0.97 -0.85 1.53 0.00 -1.28 -1.57 119.26 118.84 3gha h ALA 153 Ca 0.08 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gha h ALA 153 Cb 0.67 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3gha h ALA 153 CO 0.05 -0.08 0.55 0.87 0.00 0.00 0.00 179.25 180.63 3gha h LYS 154 N 0.56 1.04 0.00 0.00 1.57 -1.19 -2.28 116.57 116.27 3gha h LYS 154 Ca 0.35 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3gha h LYS 154 Cb 0.40 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3gha h LYS 154 CO -0.29 0.69 -0.94 0.66 -0.57 0.00 0.00 179.45 179.00 3gha h SER 155 N 1.07 0.00 0.00 0.86 4.64 -1.03 -3.41 113.55 115.68 3gha h SER 155 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3gha h SER 155 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3gha h SER 155 CO -0.11 0.27 -0.74 0.35 -0.87 0.00 0.00 176.83 175.72 3gha n THR 156 N -2.88 0.00 -4.49 2.95 -2.24 -0.64 -5.08 114.28 101.90 3gha n THR 156 Ca -0.02 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 3gha n THR 156 Cb 0.67 0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 3gha n THR 156 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gha s THR 157 N -1.82 0.45 -2.36 4.28 -4.23 -0.86 -4.67 115.64 106.43 3gha s THR 157 Ca -0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.73 3gha s THR 157 Cb 0.02 -2.31 0.47 0.00 1.34 0.00 0.00 72.50 72.01 3gha s THR 157 CO 0.09 0.00 1.57 0.29 -0.54 0.00 0.00 174.62 176.03 3gha n LYS 158 N -0.91 1.79 -3.07 3.99 5.02 -1.26 -4.77 118.16 118.95 3gha n LYS 158 Ca -0.04 -1.18 -0.39 0.00 -2.02 0.00 0.00 58.31 54.68 3gha n LYS 158 Cb 0.64 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 3gha n LYS 158 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gha s ILE 159 N -1.82 4.62 0.06 -0.18 1.01 -1.26 -5.04 121.20 118.58 3gha s ILE 159 Ca 0.34 1.53 -0.31 0.00 0.00 0.00 0.00 60.65 62.21 3gha s ILE 159 Cb 0.19 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3gha s ILE 159 CO 0.28 0.47 1.18 -0.54 0.00 0.00 0.00 174.94 176.33 3gha s LYS 160 N -0.69 4.45 0.23 2.79 1.02 -1.26 -4.30 119.74 121.98 3gha s LYS 160 Ca 0.35 1.74 -0.06 0.00 0.02 0.00 0.00 55.97 58.01 3gha s LYS 160 Cb -0.21 -3.35 0.41 0.00 -0.52 0.00 0.00 37.83 34.16 3gha s LYS 160 CO 0.23 -0.23 1.71 -1.35 -0.92 0.00 0.00 175.35 174.78 3gha h PRO 161 N 6.76 0.32 -0.07 -1.68 0.11 -1.91 -0.31 132.00 135.23 3gha h PRO 161 Ca -0.42 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3gha h PRO 161 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3gha h PRO 161 CO 0.80 0.21 -0.30 1.05 -0.21 0.00 0.00 178.00 179.56 3gha h GLU 162 N 0.33 0.12 0.14 1.05 9.09 -1.92 -0.99 114.58 122.41 3gha h GLU 162 Ca 0.39 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.75 3gha h GLU 162 Cb 0.61 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 3gha h GLU 162 CO -0.44 0.42 -0.07 1.15 0.05 0.00 0.00 179.01 180.12 3gha h THR 163 N 0.11 0.99 -0.94 -1.06 2.02 -1.50 -0.81 112.91 111.72 3gha h THR 163 Ca 0.02 -0.57 0.08 0.00 0.77 0.00 0.00 66.41 66.70 3gha h THR 163 Cb 0.59 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.27 3gha h THR 163 CO 0.04 0.14 0.59 0.25 0.37 0.00 0.00 175.52 176.91 3gha h LEU 164 N -0.46 0.92 -0.49 2.58 6.46 -1.00 -1.36 115.31 121.95 3gha h LEU 164 Ca -0.02 0.02 -0.17 0.00 -0.12 0.00 0.00 57.88 57.60 3gha h LEU 164 Cb 0.37 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3gha h LEU 164 CO 0.03 0.57 -0.59 0.11 -0.62 0.00 0.00 178.44 177.94 3gha h LYS 165 N 1.04 0.52 -0.55 1.25 1.57 -1.12 -1.81 116.57 117.47 3gha h LYS 165 Ca 0.42 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3gha h LYS 165 Cb 0.23 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3gha h LYS 165 CO -0.19 0.96 0.29 1.49 -0.57 0.00 0.00 179.45 181.43 3gha h GLU 166 N 0.39 0.78 -0.22 3.15 4.81 -0.63 -2.14 114.58 120.72 3gha h GLU 166 Ca -0.00 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3gha h GLU 166 Cb 1.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3gha h GLU 166 CO 0.11 0.61 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.88 3gha h ASN 167 N 0.74 0.38 -0.59 1.04 2.35 -1.09 -1.55 115.58 116.86 3gha h ASN 167 Ca 0.19 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3gha h ASN 167 Cb 0.07 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3gha h ASN 167 CO -0.03 0.61 0.10 -0.07 -1.65 0.00 0.00 177.43 176.39 3gha h LEU 168 N 0.35 0.94 -0.36 1.61 3.38 -1.19 -0.19 115.31 119.85 3gha h LEU 168 Ca 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3gha h LEU 168 Cb 0.58 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3gha h LEU 168 CO 0.04 0.96 0.06 -0.78 0.09 0.00 0.00 178.44 178.81 3gha h ASP 169 N 0.88 0.57 0.97 -0.43 3.58 -0.82 -2.65 116.42 118.53 3gha h ASP 169 Ca 0.18 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.37 3gha h ASP 169 Cb 0.42 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.32 3gha h ASP 169 CO 0.01 0.68 0.00 0.29 -2.88 0.00 0.00 179.24 177.35 3gha n LYS 170 N -4.57 0.12 -3.89 0.28 5.02 -0.64 -4.91 118.16 109.58 3gha n LYS 170 Ca -0.01 0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 56.20 3gha n LYS 170 Cb 0.22 -1.67 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 3gha n LYS 170 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gha n GLU 171 N -1.89 -5.28 -0.35 1.97 1.02 -0.17 -4.88 120.64 111.07 3gha n GLU 171 Ca 0.05 0.59 0.23 0.00 -0.02 0.00 0.00 57.16 58.00 3gha n GLU 171 Cb 0.30 -5.39 0.47 0.00 -0.02 0.00 0.00 31.44 26.80 3gha n GLU 171 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3gha h THR 172 N -2.03 0.40 -0.58 2.62 2.02 -1.63 -1.41 112.91 112.31 3gha h THR 172 Ca -0.59 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 3gha h THR 172 Cb 1.37 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3gha h THR 172 CO 0.66 0.07 0.08 0.49 0.37 0.00 0.00 175.52 177.19 3gha n PHE 173 N -4.89 2.05 -0.17 3.16 3.72 -1.26 -4.60 117.46 115.47 3gha n PHE 173 Ca 0.29 -0.90 0.13 0.00 -0.05 0.00 0.00 57.45 56.93 3gha n PHE 173 Cb 0.92 -0.54 0.47 0.00 -0.94 0.00 0.00 39.48 39.39 3gha n PHE 173 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gha h ALA 174 N 3.30 2.01 -0.50 4.37 0.00 -1.63 -1.80 119.26 125.01 3gha h ALA 174 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gha h ALA 174 Cb 2.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3gha h ALA 174 CO 0.53 -0.19 0.19 0.66 0.00 0.00 0.00 179.25 180.44 3gha h SER 175 N 0.49 0.65 -0.26 0.00 4.64 -1.84 -1.01 113.55 116.22 3gha h SER 175 Ca 0.36 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.48 3gha h SER 175 Cb 0.71 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3gha h SER 175 CO -0.12 0.59 -0.31 -0.61 -0.87 0.00 0.00 176.83 175.51 3gha h GLN 176 N 0.71 0.67 -0.65 4.77 5.75 -1.69 -1.69 115.11 122.97 3gha h GLN 176 Ca 0.17 -0.37 -0.00 0.00 -0.15 0.00 0.00 58.65 58.30 3gha h GLN 176 Cb 0.15 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3gha h GLN 176 CO -0.02 0.98 0.40 0.28 -2.65 0.00 0.00 178.83 177.83 3gha h VAL 177 N 0.39 1.18 -0.35 2.39 2.07 -1.32 -0.03 116.25 120.57 3gha h VAL 177 Ca 0.04 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 3gha h VAL 177 Cb 0.88 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3gha h VAL 177 CO 0.07 0.19 -0.33 -0.33 0.02 0.00 0.00 177.57 177.19 3gha h GLU 178 N 0.90 0.78 -0.75 1.57 4.39 -1.05 -0.63 114.58 119.79 3gha h GLU 178 Ca 0.24 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 3gha h GLU 178 Cb -0.05 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3gha h GLU 178 CO -0.05 1.00 0.26 0.87 -1.16 0.00 0.00 179.01 179.93 3gha h LYS 179 N 0.66 1.14 -0.52 2.33 1.57 -0.37 0.68 116.57 122.06 3gha h LYS 179 Ca 0.07 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3gha h LYS 179 Cb 0.87 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 3gha h LYS 179 CO 0.08 0.95 0.32 -0.44 -0.57 0.00 0.00 179.45 179.79 3gha h ASP 180 N 1.10 0.63 -0.95 0.86 5.19 -0.71 -1.02 116.42 121.52 3gha h ASP 180 Ca 0.25 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 3gha h ASP 180 Cb 0.27 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.57 3gha h ASP 180 CO -0.01 0.50 0.57 -1.28 -3.12 0.00 0.00 179.24 175.90 3gha h SER 181 N 0.70 1.14 -0.56 6.45 0.87 -0.68 0.56 113.55 122.04 3gha h SER 181 Ca 0.19 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3gha h SER 181 Cb -0.02 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 3gha h SER 181 CO -0.04 0.87 0.37 0.44 -0.53 0.00 0.00 176.83 177.94 3gha h ASP 182 N 1.31 0.64 -0.41 6.23 3.32 -0.33 -1.15 116.42 126.03 3gha h ASP 182 Ca 0.34 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 3gha h ASP 182 Cb -0.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3gha h ASP 182 CO -0.06 0.47 0.05 0.25 -1.72 0.00 0.00 179.24 178.22 3gha h LEU 183 N 0.75 0.67 -1.24 1.55 5.85 -0.59 -0.49 115.31 121.81 3gha h LEU 183 Ca 0.20 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3gha h LEU 183 Cb -0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3gha h LEU 183 CO -0.04 0.78 0.41 -0.55 -0.34 0.00 0.00 178.44 178.69 3gha h ASN 184 N 0.54 0.81 -0.38 1.25 -0.00 -0.59 -1.07 115.58 116.14 3gha h ASN 184 Ca 0.12 -0.04 -0.15 0.00 -0.00 0.00 0.00 56.30 56.23 3gha h ASN 184 Cb 0.41 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 3gha h ASN 184 CO 0.01 0.63 -0.34 1.56 -0.00 0.00 0.00 177.43 179.29 3gha h GLN 185 N 0.94 0.90 -0.89 4.14 4.20 -0.95 -1.31 115.11 122.14 3gha h GLN 185 Ca 0.25 -0.46 0.03 0.00 0.06 0.00 0.00 58.65 58.52 3gha h GLN 185 Cb -0.03 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3gha h GLN 185 CO -0.05 1.12 0.57 -0.22 -0.67 0.00 0.00 178.83 179.58 3gha h LYS 186 N 0.72 1.09 -0.01 1.46 3.64 -0.53 -1.25 116.57 121.68 3gha h LYS 186 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gha h LYS 186 Cb 0.93 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3gha h LYS 186 CO 0.09 0.72 -0.00 -1.33 -2.27 0.00 0.00 179.45 176.65 3gha n MET 187 N -4.52 1.41 -3.57 1.90 2.81 -0.46 -4.85 117.12 109.84 3gha n MET 187 Ca 0.11 -0.61 -0.23 0.00 -1.81 0.00 0.00 57.70 55.16 3gha n MET 187 Cb 0.08 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.19 3gha n MET 187 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3gha n ASN 188 N -0.26 -5.49 -4.72 7.83 4.05 -0.47 -0.59 115.26 115.60 3gha n ASN 188 Ca 0.21 -0.56 -0.42 0.00 0.45 0.00 0.00 54.58 54.26 3gha n ASN 188 Cb 0.27 -5.04 -0.03 0.00 1.23 0.00 0.00 39.78 36.21 3gha n ASN 188 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gha s ILE 189 N -3.33 2.36 -0.09 -1.44 -1.09 -0.64 -3.35 121.20 113.62 3gha s ILE 189 Ca 0.47 0.26 0.09 0.00 -2.23 0.00 0.00 60.65 59.25 3gha s ILE 189 Cb -0.21 -3.17 -0.13 0.00 -1.58 0.00 0.00 42.46 37.37 3gha s ILE 189 CO 0.73 0.02 0.06 0.00 -1.23 0.00 0.00 174.94 174.53 3gha n GLN 190 N 3.85 2.08 -3.70 2.79 1.13 -1.26 -4.96 117.38 117.31 3gha n GLN 190 Ca 0.14 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 55.06 3gha n GLN 190 Cb 0.37 -1.26 -0.07 0.00 0.11 0.00 0.00 30.24 29.40 3gha n GLN 190 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gha s ALA 191 N -2.31 -0.87 0.08 -1.58 0.00 -1.26 -5.15 121.76 110.67 3gha s ALA 191 Ca -0.05 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.16 3gha s ALA 191 Cb 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3gha s ALA 191 CO 0.42 -0.43 -0.08 0.95 0.00 0.00 0.00 175.76 176.62 3gha s THR 192 N -2.47 3.53 0.43 0.00 -4.23 -1.26 -3.59 115.64 108.06 3gha s THR 192 Ca -0.05 -1.13 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 3gha s THR 192 Cb -0.01 -2.64 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 3gha s THR 192 CO -0.02 0.17 0.97 -2.16 -0.54 0.00 0.00 174.62 173.04 3gha s PRO 193 N -2.08 4.17 -0.17 3.99 0.04 -1.26 -4.63 135.00 135.07 3gha s PRO 193 Ca 0.21 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 3gha s PRO 193 Cb -0.11 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 3gha s PRO 193 CO 0.13 -0.09 -0.09 0.99 0.04 0.00 0.00 177.00 177.98 3gha s THR 194 N -2.04 3.19 -0.16 1.26 2.01 -0.58 -4.79 115.64 114.53 3gha s THR 194 Ca 0.62 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 3gha s THR 194 Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3gha s THR 194 CO 0.17 0.48 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.95 3gha s ILE 195 N 0.83 4.19 -0.10 1.82 -1.09 -1.26 -0.75 121.20 124.83 3gha s ILE 195 Ca -0.03 -0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 58.11 3gha s ILE 195 Cb -0.15 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 3gha s ILE 195 CO 0.01 0.48 0.00 -0.31 -1.23 0.00 0.00 174.94 173.89 3gha s TYR 196 N 0.35 3.15 -0.31 3.97 2.02 0.29 -0.86 117.35 125.96 3gha s TYR 196 Ca -0.02 0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 3gha s TYR 196 Cb -0.14 -1.83 0.07 0.00 -0.40 0.00 0.00 41.96 39.67 3gha s TYR 196 CO 0.02 0.39 -0.01 0.08 -1.57 0.00 0.00 175.55 174.46 3gha s VAL 197 N -0.66 2.51 0.00 0.71 1.01 0.03 -1.08 120.40 122.93 3gha s VAL 197 Ca 0.11 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.27 3gha s VAL 197 Cb -0.12 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3gha s VAL 197 CO 0.02 -0.27 0.00 0.59 0.00 0.00 0.00 175.10 175.44 3gha n ASN 198 N 4.44 0.00 -1.02 3.32 3.02 0.69 -1.03 115.26 124.69 3gha n ASN 198 Ca -0.08 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.57 3gha n ASN 198 Cb 0.42 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.85 3gha n ASN 198 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3gha n ASP 199 N 5.71 2.98 -4.72 6.41 5.75 -1.26 -4.48 116.55 126.94 3gha n ASP 199 Ca 0.00 -1.97 -0.36 0.00 -0.01 0.00 0.00 54.79 52.45 3gha n ASP 199 Cb 0.00 -0.33 -0.07 0.00 -1.03 0.00 0.00 41.12 39.69 3gha n ASP 199 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3gha s LYS 200 N -1.34 4.23 -0.24 0.11 -0.14 -0.20 -2.10 119.74 120.06 3gha s LYS 200 Ca 0.38 0.03 -0.20 0.00 -1.36 0.00 0.00 55.97 54.82 3gha s LYS 200 Cb 0.20 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 3gha s LYS 200 CO 0.27 0.22 0.62 0.08 -0.76 0.00 0.00 175.35 175.78 3gha s VAL 201 N 0.55 5.00 0.15 3.17 1.01 -1.26 -0.79 120.40 128.22 3gha s VAL 201 Ca 0.15 1.12 -0.31 0.00 0.00 0.00 0.00 61.98 62.95 3gha s VAL 201 Cb -0.13 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3gha s VAL 201 CO 0.03 0.05 1.31 -0.63 0.00 0.00 0.00 175.10 175.86 3gha s ILE 202 N 2.34 3.40 0.08 2.22 -1.09 -0.04 -4.94 121.20 123.17 3gha s ILE 202 Ca 0.26 1.08 -0.09 0.00 -2.23 0.00 0.00 60.65 59.67 3gha s ILE 202 Cb -0.16 -3.69 -0.27 0.00 -1.58 0.00 0.00 42.46 36.77 3gha s ILE 202 CO 0.09 0.12 1.16 0.11 -1.23 0.00 0.00 174.94 175.19 3gha h LYS 203 N 6.05 0.44 -3.50 2.79 1.57 -1.96 -3.42 116.57 118.55 3gha h LYS 203 Ca -0.43 -0.62 -0.54 0.00 -1.87 0.00 0.00 60.65 57.19 3gha h LYS 203 Cb 1.21 0.21 -0.40 0.00 0.08 0.00 0.00 32.23 33.34 3gha h LYS 203 CO 0.81 1.27 -0.76 1.21 -0.57 0.00 0.00 179.45 181.40 3gha s ASN 204 N -7.27 3.29 0.57 0.86 2.47 -1.26 -5.00 114.94 108.60 3gha s ASN 204 Ca -0.07 -1.09 0.38 0.00 0.42 0.00 0.00 52.86 52.51 3gha s ASN 204 Cb 0.07 -0.66 2.03 0.00 -1.45 0.00 0.00 41.25 41.24 3gha s ASN 204 CO 0.90 -0.35 2.16 2.19 -3.72 0.00 0.00 177.10 178.29 3gha h PHE 205 N 8.21 0.00 -0.01 0.43 -5.15 -1.87 -1.03 116.94 117.53 3gha h PHE 205 Ca -0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.61 3gha h PHE 205 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.25 3gha h PHE 205 CO 0.31 0.00 -0.26 0.00 -2.00 0.00 0.00 178.31 176.36 3gha n ALA 206 N -2.00 3.08 -3.21 12.09 0.00 -1.26 -4.70 120.51 124.51 3gha n ALA 206 Ca -0.02 -0.48 -0.46 0.00 0.00 0.00 0.00 53.44 52.48 3gha n ALA 206 Cb 0.09 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3gha n ALA 206 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gha s ASP 207 N -2.39 6.56 0.40 0.00 3.68 -0.39 -4.90 116.67 119.62 3gha s ASP 207 Ca 0.25 -2.22 0.12 0.00 2.13 0.00 0.00 52.55 52.83 3gha s ASP 207 Cb 0.19 -2.26 0.82 0.00 -1.45 0.00 0.00 42.92 40.22 3gha s ASP 207 CO 0.49 -0.80 1.90 0.22 0.13 0.00 0.00 175.17 177.11 3gha h TYR 208 N 8.39 0.06 -0.37 -5.34 3.20 -1.85 -2.02 116.97 119.05 3gha h TYR 208 Ca -0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 3gha h TYR 208 Cb 1.05 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 3gha h TYR 208 CO 0.98 0.31 0.06 0.22 -1.64 0.00 0.00 178.16 178.10 3gha h ASP 209 N 0.05 -0.02 -0.36 -2.11 3.58 -1.96 0.27 116.42 115.87 3gha h ASP 209 Ca 0.01 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3gha h ASP 209 Cb 0.49 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 3gha h ASP 209 CO 0.04 0.03 0.19 -0.08 -2.88 0.00 0.00 179.24 176.53 3gha h GLU 210 N 0.18 0.52 -0.17 0.28 4.81 -1.75 -0.60 114.58 117.85 3gha h GLU 210 Ca 0.18 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3gha h GLU 210 Cb 0.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3gha h GLU 210 CO -0.24 0.45 0.08 0.82 -0.73 0.00 0.00 179.01 179.39 3gha h ILE 211 N 0.46 1.12 -0.29 2.32 2.04 -0.99 -1.03 117.51 121.15 3gha h ILE 211 Ca 0.13 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3gha h ILE 211 Cb 0.09 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3gha h ILE 211 CO -0.02 0.12 0.07 0.50 0.00 0.00 0.00 178.15 178.82 3gha h LYS 212 N 0.14 0.46 -0.95 2.37 3.64 -0.38 -0.18 116.57 121.69 3gha h LYS 212 Ca 0.06 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3gha h LYS 212 Cb 0.11 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3gha h LYS 212 CO -0.01 0.55 0.59 0.93 -2.27 0.00 0.00 179.45 179.24 3gha h GLU 213 N 0.30 1.28 -0.29 1.90 5.08 -1.08 -0.06 114.58 121.71 3gha h GLU 213 Ca 0.09 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3gha h GLU 213 Cb 0.30 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3gha h GLU 213 CO 0.00 0.88 -0.18 1.15 -1.00 0.00 0.00 179.01 179.86 3gha h THR 214 N 1.30 1.30 -0.54 1.13 2.02 -0.76 -0.84 112.91 116.52 3gha h THR 214 Ca 0.34 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 66.25 3gha h THR 214 Cb -0.08 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3gha h THR 214 CO -0.07 0.41 0.32 0.40 0.37 0.00 0.00 175.52 176.96 3gha h ILE 215 N 0.38 1.05 -0.69 3.11 2.04 -0.85 -1.13 117.51 121.43 3gha h ILE 215 Ca 0.06 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3gha h ILE 215 Cb 0.71 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3gha h ILE 215 CO 0.05 0.12 0.25 -0.33 0.00 0.00 0.00 178.15 178.23 3gha h GLU 216 N 0.63 1.03 -0.61 2.37 5.08 -0.87 -0.54 114.58 121.68 3gha h GLU 216 Ca 0.22 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3gha h GLU 216 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3gha h GLU 216 CO -0.10 0.86 0.03 -0.22 -1.00 0.00 0.00 179.01 178.58 3gha h LYS 217 N 1.01 1.04 -0.19 2.33 3.64 -0.91 -1.87 116.57 121.61 3gha h LYS 217 Ca 0.23 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 3gha h LYS 217 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3gha h LYS 217 CO -0.01 1.00 -0.29 0.93 -2.27 0.00 0.00 179.45 178.81 3gha h GLU 218 N 0.96 0.37 -0.48 1.90 4.39 -0.69 -2.05 114.58 118.98 3gha h GLU 218 Ca 0.18 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3gha h GLU 218 Cb 0.51 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3gha h GLU 218 CO 0.02 0.63 0.03 -0.07 -1.16 0.00 0.00 179.01 178.46 3gha h LEU 219 N 0.33 0.82 0.60 1.33 3.38 -0.84 -1.76 115.31 119.17 3gha h LEU 219 Ca 0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3gha h LEU 219 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3gha h LEU 219 CO 0.05 0.91 -0.39 0.50 0.09 0.00 0.00 178.44 179.60 3gha h LYS 220 N 0.70 -0.91 -1.10 1.13 1.63 -1.12 -2.12 116.57 114.79 3gha h LYS 220 Ca 0.14 0.06 0.30 0.00 -0.85 0.00 0.00 60.65 60.30 3gha h LYS 220 Cb 0.47 0.21 -0.09 0.00 -0.60 0.00 0.00 32.23 32.21 3gha h LYS 220 CO 0.02 -0.61 0.72 0.78 -3.45 0.00 0.00 179.45 176.91 3gha h GLY 221 N -0.94 1.09 1.00 5.01 0.00 -1.29 -3.52 103.07 104.42 3gha h GLY 221 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3gha h GLY 221 CO 0.06 -0.16 0.00 0.28 0.00 0.00 0.00 176.54 176.72