#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbv s LYS 65 N 0.00 1.85 0.25 1.64 -2.85 -1.26 -5.02 119.74 114.35 3gbv s LYS 65 Ca 0.00 0.79 -0.21 0.00 -1.00 0.00 0.00 55.97 55.55 3gbv s LYS 65 Cb 0.00 -1.88 -0.09 0.00 -2.06 0.00 0.00 37.83 33.80 3gbv s LYS 65 CO 0.00 -1.82 0.78 0.71 0.10 0.00 0.00 175.35 175.12 3gbv s TYR 66 N -3.04 3.64 -0.14 1.78 2.02 -0.86 -4.95 117.35 115.80 3gbv s TYR 66 Ca 0.62 1.48 0.01 0.00 -0.37 0.00 0.00 57.07 58.81 3gbv s TYR 66 Cb -0.16 -2.70 0.02 0.00 -0.40 0.00 0.00 41.96 38.72 3gbv s TYR 66 CO 0.55 0.29 -0.17 0.99 -1.57 0.00 0.00 175.55 175.64 3gbv s THR 67 N -1.57 1.74 -0.30 -0.71 2.01 -1.26 -0.67 115.64 114.87 3gbv s THR 67 Ca 0.45 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 3gbv s THR 67 Cb -0.17 -1.59 0.05 0.00 0.01 0.00 0.00 72.50 70.80 3gbv s THR 67 CO 0.21 0.49 0.01 -0.36 -0.69 0.00 0.00 174.62 174.28 3gbv s PHE 68 N 1.20 3.25 -0.05 4.92 0.08 0.12 -0.26 117.98 127.24 3gbv s PHE 68 Ca -0.00 -1.77 -0.30 0.00 0.12 0.00 0.00 56.93 54.98 3gbv s PHE 68 Cb -0.14 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 3gbv s PHE 68 CO -0.07 -0.79 1.12 0.00 -0.10 0.00 0.00 175.22 175.39 3gbv s ALA 69 N 1.28 3.42 -0.29 5.36 0.00 -0.00 -1.57 121.76 129.96 3gbv s ALA 69 Ca -0.04 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3gbv s ALA 69 Cb -0.20 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.52 3gbv s ALA 69 CO -0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 175.76 175.10 3gbv s LEU 71 N 1.15 4.84 0.18 0.00 2.96 -1.26 -1.72 118.68 124.83 3gbv s LEU 71 Ca -0.05 -1.01 0.06 0.00 -0.22 0.00 0.00 54.13 52.92 3gbv s LEU 71 Cb -0.20 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3gbv s LEU 71 CO -0.03 -0.41 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.70 3gbv s LEU 72 N 1.57 2.54 0.54 -0.68 1.43 -0.86 -1.67 118.68 121.56 3gbv s LEU 72 Ca 0.03 -1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 51.90 3gbv s LEU 72 Cb -0.19 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 3gbv s LEU 72 CO 0.07 -0.24 1.29 -2.65 0.23 0.00 0.00 176.35 175.05 3gbv n PRO 73 N -0.27 1.58 -2.09 1.29 -0.02 -1.26 -1.65 135.00 132.58 3gbv n PRO 73 Ca -0.09 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3gbv n PRO 73 Cb 0.60 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3gbv n PRO 73 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gbv s LYS 74 N -2.80 3.31 0.14 -0.52 1.02 -0.01 -4.67 119.74 116.20 3gbv s LYS 74 Ca 0.71 1.84 -0.24 0.00 0.02 0.00 0.00 55.97 58.30 3gbv s LYS 74 Cb -0.43 -2.14 0.08 0.00 -0.52 0.00 0.00 37.83 34.82 3gbv s LYS 74 CO 0.50 -0.94 1.06 -3.38 -0.92 0.00 0.00 175.35 171.66 3gbv s HIS 75 N -1.56 -0.01 0.17 3.18 -3.43 -1.26 -4.90 115.29 107.47 3gbv s HIS 75 Ca 0.71 -0.30 0.04 0.00 -0.80 0.00 0.00 55.06 54.71 3gbv s HIS 75 Cb -0.30 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 3gbv s HIS 75 CO 0.35 -0.77 0.20 -0.51 -2.00 0.00 0.00 174.74 172.00 3gbv s LEU 76 N -3.22 4.00 0.25 5.38 1.43 -1.26 -5.05 118.68 120.21 3gbv s LEU 76 Ca 0.18 -0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.94 3gbv s LEU 76 Cb -0.01 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 43.51 3gbv s LEU 76 CO 0.03 0.05 1.63 -0.70 0.23 0.00 0.00 176.35 177.59 3gbv s GLU 77 N -3.23 4.14 0.00 1.70 2.12 -1.26 -1.88 118.70 120.29 3gbv s GLU 77 Ca 0.32 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.21 3gbv s GLU 77 Cb -0.10 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.23 3gbv s GLU 77 CO 0.25 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 3gbv n GLY 78 N 2.92 0.16 3.96 -1.50 0.00 -1.26 -5.07 105.19 104.40 3gbv n GLY 78 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3gbv n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gbv s GLU 79 N -0.95 0.82 0.25 1.61 2.02 -0.79 -4.61 118.70 117.05 3gbv s GLU 79 Ca 0.00 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.19 3gbv s GLU 79 Cb 0.00 -2.01 0.48 0.00 0.10 0.00 0.00 34.13 32.71 3gbv s GLU 79 CO 0.00 -2.19 1.66 -0.92 0.02 0.00 0.00 175.26 173.82 3gbv h TYR 80 N -1.33 0.13 0.00 1.61 3.20 -1.91 -1.92 116.97 116.75 3gbv h TYR 80 Ca -0.41 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3gbv h TYR 80 Cb 1.23 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3gbv h TYR 80 CO -1.00 -0.18 0.00 0.91 -1.64 0.00 0.00 178.16 176.26 3gbv n TRP 81 N -5.26 0.79 -0.29 -3.82 7.02 -1.26 -2.90 117.44 111.72 3gbv n TRP 81 Ca 0.15 0.32 -0.04 0.00 -1.02 0.00 0.00 57.50 56.91 3gbv n TRP 81 Cb 0.50 -1.02 0.07 0.00 -2.42 0.00 0.00 31.31 28.44 3gbv n TRP 81 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3gbv h THR 82 N 0.00 1.21 -0.31 -0.99 2.02 -1.64 -2.20 112.91 110.99 3gbv h THR 82 Ca 0.00 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.66 3gbv h THR 82 Cb 0.32 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3gbv h THR 82 CO 0.00 0.21 -0.26 0.44 0.37 0.00 0.00 175.52 176.28 3gbv h ASP 83 N 1.09 0.64 -0.57 4.18 3.45 -1.70 -1.90 116.42 121.61 3gbv h ASP 83 Ca 0.29 -0.23 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 3gbv h ASP 83 Cb -0.10 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.47 3gbv h ASP 83 CO -0.06 0.88 0.19 0.58 -1.57 0.00 0.00 179.24 179.26 3gbv h VAL 84 N 0.55 1.24 -0.37 -1.35 2.07 -1.61 -2.08 116.25 114.70 3gbv h VAL 84 Ca 0.07 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 3gbv h VAL 84 Cb 0.73 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3gbv h VAL 84 CO 0.06 0.30 -0.06 1.56 0.02 0.00 0.00 177.57 179.44 3gbv h GLN 85 N 0.79 0.61 0.00 1.57 4.20 -1.20 -1.39 115.11 119.70 3gbv h GLN 85 Ca 0.18 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3gbv h GLN 85 Cb 0.26 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3gbv h GLN 85 CO -0.01 0.68 -0.35 0.87 -0.67 0.00 0.00 178.83 179.35 3gbv h LYS 86 N 0.57 0.00 -0.13 1.46 1.57 -1.04 0.17 116.57 119.17 3gbv h LYS 86 Ca 0.11 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3gbv h LYS 86 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3gbv h LYS 86 CO 0.02 0.35 -0.58 0.78 -0.57 0.00 0.00 179.45 179.45 3gbv h GLY 87 N 1.12 0.47 0.75 3.86 0.00 -0.63 -0.46 103.07 108.17 3gbv h GLY 87 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3gbv h GLY 87 CO 0.05 0.51 -0.06 -2.22 0.00 0.00 0.00 176.54 174.81 3gbv h ILE 88 N 0.32 1.01 -0.35 2.60 2.04 -0.35 -1.84 117.51 120.95 3gbv h ILE 88 Ca -0.00 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 3gbv h ILE 88 Cb 1.11 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3gbv h ILE 88 CO 0.10 0.13 0.10 0.03 0.00 0.00 0.00 178.15 178.51 3gbv h ARG 89 N -0.42 0.51 -0.43 2.37 3.08 -0.94 -1.05 114.38 117.49 3gbv h ARG 89 Ca -0.02 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3gbv h ARG 89 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3gbv h ARG 89 CO 0.03 0.46 -0.11 1.49 -1.07 0.00 0.00 179.97 180.76 3gbv h GLU 90 N 0.50 0.77 -0.31 0.04 4.57 -0.96 -2.41 114.58 116.78 3gbv h GLU 90 Ca 0.12 -0.26 -0.12 0.00 -1.18 0.00 0.00 59.36 57.92 3gbv h GLU 90 Cb 0.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3gbv h GLU 90 CO -0.01 0.85 -0.32 0.00 -1.18 0.00 0.00 179.01 178.36 3gbv h ALA 91 N 1.17 0.86 -0.06 2.92 0.00 -0.49 -1.77 119.26 121.90 3gbv h ALA 91 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gbv h ALA 91 Cb 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gbv h ALA 91 CO 0.04 0.63 0.03 0.28 0.00 0.00 0.00 179.25 180.23 3gbv h VAL 92 N 0.57 1.06 -0.46 0.00 2.07 -0.85 -1.99 116.25 116.65 3gbv h VAL 92 Ca 0.07 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3gbv h VAL 92 Cb 0.82 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3gbv h VAL 92 CO 0.07 0.05 0.07 0.71 0.02 0.00 0.00 177.57 178.49 3gbv h THR 93 N 0.02 1.25 -0.97 2.57 1.35 -1.41 -2.62 112.91 113.10 3gbv h THR 93 Ca 0.02 -0.92 0.13 0.00 -0.55 0.00 0.00 66.41 65.08 3gbv h THR 93 Cb 0.06 0.96 -0.09 0.00 -1.73 0.00 0.00 68.15 67.35 3gbv h THR 93 CO -0.00 0.32 0.60 0.74 -0.25 0.00 0.00 175.52 176.93 3gbv h THR 94 N 0.63 0.88 -0.88 6.82 2.02 -1.15 -1.05 112.91 120.19 3gbv h THR 94 Ca 0.14 -0.32 -0.39 0.00 0.77 0.00 0.00 66.41 66.61 3gbv h THR 94 Cb 0.40 -0.12 -0.23 0.00 -1.74 0.00 0.00 68.15 66.45 3gbv h THR 94 CO 0.01 0.17 0.50 -1.22 0.37 0.00 0.00 175.52 175.35 3gbv n TYR 95 N -4.67 2.77 0.06 3.16 4.01 -0.76 -4.63 117.16 117.10 3gbv n TYR 95 Ca 0.19 -1.56 0.18 0.00 -0.16 0.00 0.00 57.90 56.54 3gbv n TYR 95 Cb 0.37 -0.83 0.70 0.00 -0.31 0.00 0.00 39.34 39.27 3gbv n TYR 95 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3gbv h SER 96 N 1.60 0.00 0.18 7.72 4.64 -0.81 -0.18 113.55 126.71 3gbv h SER 96 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3gbv h SER 96 Cb 2.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.72 3gbv h SER 96 CO 0.94 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.37 3gbv n ASP 97 N -4.33 0.14 -0.53 4.97 8.00 -1.26 -1.21 116.55 122.34 3gbv n ASP 97 Ca 0.07 0.56 0.06 0.00 0.71 0.00 0.00 54.79 56.19 3gbv n ASP 97 Cb 0.50 -0.58 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 3gbv n ASP 97 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gbv n PHE 98 N -1.68 0.06 -3.62 1.24 3.72 -0.08 -5.01 117.46 112.09 3gbv n PHE 98 Ca 0.01 -0.06 -0.28 0.00 -0.05 0.00 0.00 57.45 57.07 3gbv n PHE 98 Cb 0.07 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.65 3gbv n PHE 98 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3gbv n ASN 99 N 0.71 -5.25 -4.95 4.37 3.02 -0.35 -4.59 115.26 108.23 3gbv n ASN 99 Ca 0.08 -0.96 -0.23 0.00 -0.03 0.00 0.00 54.58 53.44 3gbv n ASN 99 Cb 0.33 -3.71 -0.02 0.00 -0.61 0.00 0.00 39.78 35.77 3gbv n ASN 99 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3gbv s ILE 100 N -3.47 5.17 -0.05 2.41 -4.36 -1.26 -2.03 121.20 117.61 3gbv s ILE 100 Ca 0.44 -0.62 -0.02 0.00 -0.26 0.00 0.00 60.65 60.19 3gbv s ILE 100 Cb -0.14 -3.84 0.03 0.00 1.25 0.00 0.00 42.46 39.75 3gbv s ILE 100 CO 0.84 -0.43 0.11 -0.94 0.24 0.00 0.00 174.94 174.75 3gbv s SER 101 N -3.90 -0.07 -0.26 4.36 1.04 0.16 -4.86 113.70 110.17 3gbv s SER 101 Ca 0.38 0.22 -0.10 0.00 0.48 0.00 0.00 55.95 56.92 3gbv s SER 101 Cb -0.10 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 3gbv s SER 101 CO 0.33 -0.11 0.16 0.00 0.98 0.00 0.00 173.24 174.60 3gbv s ALA 102 N 0.84 3.52 -0.40 5.32 0.00 -1.26 0.14 121.76 129.92 3gbv s ALA 102 Ca -0.07 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3gbv s ALA 102 Cb -0.09 -2.36 0.08 0.00 0.00 0.00 0.00 23.12 20.75 3gbv s ALA 102 CO -0.04 -0.39 0.21 1.21 0.00 0.00 0.00 175.76 176.75 3gbv s ASN 103 N 1.44 5.43 -0.26 0.00 2.47 -0.61 -4.95 114.94 118.47 3gbv s ASN 103 Ca 0.07 -1.61 -0.16 0.00 0.42 0.00 0.00 52.86 51.58 3gbv s ASN 103 Cb -0.15 -1.91 -0.03 0.00 -1.45 0.00 0.00 41.25 37.71 3gbv s ASN 103 CO 0.08 -0.50 0.43 -0.63 -3.72 0.00 0.00 177.10 172.76 3gbv s ILE 104 N 1.33 5.13 0.34 -5.21 1.01 -1.26 -1.76 121.20 120.78 3gbv s ILE 104 Ca 0.03 0.71 0.10 0.00 0.00 0.00 0.00 60.65 61.49 3gbv s ILE 104 Cb -0.23 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 3gbv s ILE 104 CO -0.00 0.14 -0.10 0.42 0.00 0.00 0.00 174.94 175.40 3gbv s THR 105 N 2.09 2.26 0.16 2.92 -4.23 -0.70 -4.99 115.64 113.15 3gbv s THR 105 Ca 0.18 -2.21 0.05 0.00 -1.18 0.00 0.00 61.69 58.53 3gbv s THR 105 Cb -0.16 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 3gbv s THR 105 CO 0.09 -0.21 -0.12 -1.00 -0.54 0.00 0.00 174.62 172.85 3gbv s HIS 106 N -2.60 1.39 0.07 3.99 0.09 -1.25 -2.03 115.29 114.94 3gbv s HIS 106 Ca 0.32 -0.68 0.03 0.00 -0.00 0.00 0.00 55.06 54.73 3gbv s HIS 106 Cb 0.02 -0.69 -0.03 0.00 -0.00 0.00 0.00 32.58 31.88 3gbv s HIS 106 CO 0.16 0.16 -0.09 1.52 -0.00 0.00 0.00 174.74 176.49 3gbv s TYR 107 N -3.05 0.90 -0.44 1.40 -0.85 -0.66 -4.84 117.35 109.81 3gbv s TYR 107 Ca 0.17 -0.61 -0.29 0.00 -0.52 0.00 0.00 57.07 55.82 3gbv s TYR 107 Cb 0.01 -0.51 0.02 0.00 0.38 0.00 0.00 41.96 41.85 3gbv s TYR 107 CO 0.02 -0.05 1.30 0.34 -1.52 0.00 0.00 175.55 175.64 3gbv s ASP 108 N -2.12 6.47 0.35 -0.18 -1.08 -1.26 -0.83 116.67 118.01 3gbv s ASP 108 Ca -0.01 0.68 0.25 0.00 -0.52 0.00 0.00 52.55 52.96 3gbv s ASP 108 Cb -0.05 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.10 3gbv s ASP 108 CO -0.00 -1.35 1.77 1.55 0.52 0.00 0.00 175.17 177.65 3gbv h PRO 109 N 10.06 0.00 -0.01 4.34 0.13 -1.90 -1.66 132.00 142.96 3gbv h PRO 109 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3gbv h PRO 109 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3gbv h PRO 109 CO 1.10 0.00 -0.35 0.66 -0.23 0.00 0.00 178.00 179.19 3gbv n TYR 110 N -2.38 0.00 -3.80 1.56 4.01 -1.26 -4.41 117.16 110.87 3gbv n TYR 110 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3gbv n TYR 110 Cb 0.12 -0.09 -0.15 0.00 -0.31 0.00 0.00 39.34 38.92 3gbv n TYR 110 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gbv s ASP 111 N -2.52 4.18 0.60 7.72 2.15 -0.62 -4.88 116.67 123.29 3gbv s ASP 111 Ca 0.22 -1.89 0.29 0.00 0.43 0.00 0.00 52.55 51.60 3gbv s ASP 111 Cb 0.19 -1.08 1.64 0.00 -0.30 0.00 0.00 42.92 43.37 3gbv s ASP 111 CO 0.55 -0.39 2.06 1.88 -0.17 0.00 0.00 175.17 179.10 3gbv h TYR 112 N 7.81 0.00 -0.01 -5.34 0.05 -1.84 0.12 116.97 117.75 3gbv h TYR 112 Ca -0.10 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.55 3gbv h TYR 112 Cb 1.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 3gbv h TYR 112 CO 0.40 0.00 -0.63 -0.91 -1.05 0.00 0.00 178.16 175.97 3gbv h ASN 113 N 0.00 0.06 -0.57 3.88 2.35 -1.94 -2.13 115.58 117.24 3gbv h ASN 113 Ca 0.10 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3gbv h ASN 113 Cb 0.62 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3gbv h ASN 113 CO -0.00 0.67 0.16 -1.28 -1.65 0.00 0.00 177.43 175.33 3gbv h SER 114 N 0.04 0.87 -0.40 5.81 0.87 -1.05 -0.23 113.55 119.47 3gbv h SER 114 Ca -0.01 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.27 3gbv h SER 114 Cb 1.12 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 3gbv h SER 114 CO 0.09 0.84 -0.21 0.15 -0.53 0.00 0.00 176.83 177.16 3gbv h PHE 115 N 0.90 0.99 -0.30 2.24 3.57 -1.40 -2.36 116.94 120.58 3gbv h PHE 115 Ca 0.20 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3gbv h PHE 115 Cb 0.30 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3gbv h PHE 115 CO 0.02 1.03 0.10 0.28 -2.23 0.00 0.00 178.31 177.51 3gbv h VAL 116 N 0.66 1.19 0.01 1.41 2.07 -0.97 -0.84 116.25 119.79 3gbv h VAL 116 Ca 0.09 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3gbv h VAL 116 Cb 0.78 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3gbv h VAL 116 CO 0.06 0.21 -0.00 0.00 0.02 0.00 0.00 177.57 177.86 3gbv h ALA 117 N 0.94 -0.01 -0.39 1.67 0.00 -1.05 -1.98 119.26 118.44 3gbv h ALA 117 Ca 0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3gbv h ALA 117 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gbv h ALA 117 CO -0.01 -0.41 -0.13 1.79 0.00 0.00 0.00 179.25 180.49 3gbv h THR 118 N -0.19 1.26 -0.01 0.00 1.35 -1.44 -2.31 112.91 111.57 3gbv h THR 118 Ca -0.00 -1.16 -0.09 0.00 -0.55 0.00 0.00 66.41 64.61 3gbv h THR 118 Cb 0.19 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3gbv h THR 118 CO 0.00 0.39 -0.41 0.77 -0.25 0.00 0.00 175.52 176.03 3gbv h SER 119 N 0.64 0.02 -0.02 5.36 4.64 -1.11 -1.25 113.55 121.83 3gbv h SER 119 Ca 0.11 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 3gbv h SER 119 Cb 0.59 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3gbv h SER 119 CO 0.04 0.43 -0.45 -0.61 -0.87 0.00 0.00 176.83 175.36 3gbv h GLN 120 N 0.02 0.56 -0.40 4.77 5.75 -0.99 -1.83 115.11 122.99 3gbv h GLN 120 Ca -0.00 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.16 3gbv h GLN 120 Cb 0.73 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 3gbv h GLN 120 CO 0.05 0.90 0.14 0.00 -2.65 0.00 0.00 178.83 177.28 3gbv h ALA 121 N 1.05 0.52 -0.27 3.38 0.00 -0.85 -1.77 119.26 121.32 3gbv h ALA 121 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gbv h ALA 121 Cb 0.97 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3gbv h ALA 121 CO 0.09 0.14 -0.04 0.28 0.00 0.00 0.00 179.25 179.71 3gbv h VAL 122 N 0.49 0.76 -0.82 0.00 2.07 -1.03 -1.15 116.25 116.58 3gbv h VAL 122 Ca 0.13 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.76 3gbv h VAL 122 Cb 0.22 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3gbv h VAL 122 CO -0.01 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.42 3gbv h ILE 123 N 0.03 0.82 0.00 4.57 2.04 -1.01 -0.94 117.51 123.02 3gbv h ILE 123 Ca 0.13 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3gbv h ILE 123 Cb 0.19 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3gbv h ILE 123 CO -0.26 0.13 0.00 -0.62 0.00 0.00 0.00 178.15 177.40 3gbv n GLU 124 N -4.82 0.24 0.06 2.37 1.02 -0.69 -2.28 120.64 116.54 3gbv n GLU 124 Ca 0.15 0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 3gbv n GLU 124 Cb 0.34 -1.82 0.47 0.00 -0.02 0.00 0.00 31.44 30.41 3gbv n GLU 124 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gbv n GLU 125 N -2.24 0.17 -3.68 3.49 -0.58 -0.37 -4.96 120.64 112.47 3gbv n GLU 125 Ca 0.05 0.13 -0.29 0.00 -0.42 0.00 0.00 57.16 56.62 3gbv n GLU 125 Cb 0.37 -1.69 0.03 0.00 -0.57 0.00 0.00 31.44 29.58 3gbv n GLU 125 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3gbv n GLN 126 N -1.98 -1.16 -1.43 3.49 6.02 -0.97 -4.94 117.38 116.42 3gbv n GLN 126 Ca 0.06 0.56 -0.30 0.00 -0.01 0.00 0.00 57.00 57.31 3gbv n GLN 126 Cb 0.40 -3.84 0.10 0.00 1.02 0.00 0.00 30.24 27.91 3gbv n GLN 126 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gbv s PRO 127 N -5.70 2.04 0.24 -1.09 0.04 -1.26 -4.93 135.00 124.33 3gbv s PRO 127 Ca 0.37 0.80 0.08 0.00 0.04 0.00 0.00 61.00 62.29 3gbv s PRO 127 Cb -0.14 -1.90 0.24 0.00 0.04 0.00 0.00 34.50 32.74 3gbv s PRO 127 CO 0.87 -1.69 1.54 -0.44 0.04 0.00 0.00 177.00 177.32 3gbv h ASP 128 N -1.15 0.07 -5.05 6.66 3.32 -0.99 -3.47 116.42 115.82 3gbv h ASP 128 Ca -0.47 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 3gbv h ASP 128 Cb 1.26 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 40.67 3gbv h ASP 128 CO 0.57 0.73 0.07 -0.83 -1.72 0.00 0.00 179.24 178.06 3gbv s GLY 129 N -4.47 -0.36 0.23 2.75 0.00 -1.14 -4.45 107.32 99.86 3gbv s GLY 129 Ca -0.02 0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.85 3gbv s GLY 129 CO 0.78 -0.11 0.13 -0.62 0.00 0.00 0.00 173.10 173.28 3gbv n VAL 130 N -0.32 0.00 0.00 1.40 0.31 -0.75 -0.82 118.33 118.15 3gbv n VAL 130 Ca -0.15 -1.47 0.00 0.00 -0.01 0.00 0.00 64.34 62.72 3gbv n VAL 130 Cb 0.64 0.63 0.00 0.00 -0.91 0.00 0.00 33.84 34.20 3gbv n VAL 130 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3gbv n PHE 132 N -0.47 0.00 -3.15 3.52 1.16 -0.20 -0.40 117.46 117.92 3gbv n PHE 132 Ca 0.01 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 3gbv n PHE 132 Cb 0.37 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.17 3gbv n PHE 132 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gbv s ALA 133 N -2.00 3.42 0.67 1.98 0.00 -0.67 -1.71 121.76 123.44 3gbv s ALA 133 Ca 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3gbv s ALA 133 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.95 3gbv s ALA 133 CO 0.00 -1.49 1.14 -1.25 0.00 0.00 0.00 175.76 174.16 3gbv s PRO 134 N 2.65 2.67 0.00 0.00 0.04 -1.26 -4.89 135.00 134.21 3gbv s PRO 134 Ca 0.22 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3gbv s PRO 134 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3gbv s PRO 134 CO 0.16 -1.38 0.00 -2.37 0.04 0.00 0.00 177.00 173.45 3gbv n THR 135 N -2.39 0.00 -1.37 1.26 5.66 -1.26 -4.78 114.28 111.40 3gbv n THR 135 Ca 0.11 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.77 3gbv n THR 135 Cb 0.51 -0.85 0.10 0.00 -1.55 0.00 0.00 70.33 68.54 3gbv n THR 135 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3gbv s VAL 136 N 2.09 2.26 0.13 1.08 -7.23 -1.26 -4.82 120.40 112.65 3gbv s VAL 136 Ca 0.00 0.12 -0.33 0.00 -1.81 0.00 0.00 61.98 59.96 3gbv s VAL 136 Cb 0.00 -2.67 -0.11 0.00 0.56 0.00 0.00 36.38 34.16 3gbv s VAL 136 CO 0.00 -0.07 1.55 -0.65 -0.31 0.00 0.00 175.10 175.62 3gbv h PRO 137 N -0.41 -0.39 0.00 4.82 0.11 -1.98 -2.84 132.00 131.30 3gbv h PRO 137 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gbv h PRO 137 Cb 1.30 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3gbv h PRO 137 CO 0.49 -0.26 0.00 -0.56 -0.21 0.00 0.00 178.00 177.46 3gbv h GLN 138 N -0.41 0.00 -0.02 1.05 3.07 -2.01 -0.71 115.11 116.07 3gbv h GLN 138 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 3gbv h GLN 138 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 3gbv h GLN 138 CO -0.59 0.00 -0.23 0.66 0.09 0.00 0.00 178.83 178.76 3gbv n TYR 139 N -3.04 0.00 -0.06 0.06 4.01 -1.09 -4.13 117.16 112.91 3gbv n TYR 139 Ca -0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.68 3gbv n TYR 139 Cb 0.11 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 38.99 3gbv n TYR 139 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3gbv n THR 140 N 0.54 0.85 -0.22 -0.72 -1.04 -0.38 -4.63 114.28 108.69 3gbv n THR 140 Ca 0.12 -0.64 0.03 0.00 -2.04 0.00 0.00 64.05 61.51 3gbv n THR 140 Cb 0.51 -0.37 0.13 0.00 -1.82 0.00 0.00 70.33 68.78 3gbv n THR 140 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3gbv h LYS 141 N 0.00 0.17 -0.99 -2.82 3.64 -1.43 -1.78 116.57 113.36 3gbv h LYS 141 Ca -0.34 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 3gbv h LYS 141 Cb 1.72 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.45 3gbv h LYS 141 CO 0.02 0.11 0.65 0.78 -2.27 0.00 0.00 179.45 178.75 3gbv h GLY 142 N 0.18 1.41 0.83 5.01 0.00 -1.82 -0.01 103.07 108.67 3gbv h GLY 142 Ca 0.36 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3gbv h GLY 142 CO -0.52 0.48 -0.24 -2.75 0.00 0.00 0.00 176.54 173.52 3gbv h PHE 143 N 1.31 -0.61 -0.81 5.60 3.57 -1.63 -1.87 116.94 122.50 3gbv h PHE 143 Ca 0.37 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 3gbv h PHE 143 Cb -0.10 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 3gbv h PHE 143 CO -0.00 -0.31 0.43 1.79 -2.23 0.00 0.00 178.31 177.99 3gbv h THR 144 N -0.84 1.24 -0.38 4.41 1.35 -1.30 -0.78 112.91 116.62 3gbv h THR 144 Ca -0.07 -0.62 0.03 0.00 -0.55 0.00 0.00 66.41 65.20 3gbv h THR 144 Cb 0.58 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 3gbv h THR 144 CO 0.11 0.27 0.18 0.44 -0.25 0.00 0.00 175.52 176.28 3gbv h ASP 145 N 1.12 0.26 -0.63 5.36 3.32 -0.98 0.54 116.42 125.41 3gbv h ASP 145 Ca 0.28 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3gbv h ASP 145 Cb 0.05 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3gbv h ASP 145 CO -0.04 0.19 0.39 0.00 -1.72 0.00 0.00 179.24 178.06 3gbv h ALA 146 N 1.21 0.81 -0.56 3.45 0.00 -0.82 -0.38 119.26 122.95 3gbv h ALA 146 Ca 0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3gbv h ALA 146 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3gbv h ALA 146 CO -0.12 0.28 0.08 -0.07 0.00 0.00 0.00 179.25 179.41 3gbv h LEU 147 N 0.86 0.90 -1.22 0.00 3.38 -0.71 -0.11 115.31 118.41 3gbv h LEU 147 Ca 0.23 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3gbv h LEU 147 Cb -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3gbv h LEU 147 CO -0.04 0.94 0.18 0.78 0.09 0.00 0.00 178.44 180.38 3gbv h ASN 148 N 0.83 0.65 0.71 -0.43 2.35 -0.56 0.67 115.58 119.81 3gbv h ASN 148 Ca 0.17 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 3gbv h ASN 148 Cb 0.43 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3gbv h ASN 148 CO 0.01 0.61 -0.68 -0.08 -1.65 0.00 0.00 177.43 175.64 3gbv h GLU 149 N 0.71 0.00 -0.01 0.81 4.81 -0.60 -2.91 114.58 117.38 3gbv h GLU 149 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3gbv h GLU 149 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3gbv h GLU 149 CO -0.01 0.68 -0.07 1.28 -0.73 0.00 0.00 179.01 180.16 3gbv n LEU 150 N -3.69 1.45 -0.68 1.64 4.77 -0.10 -4.93 117.00 115.46 3gbv n LEU 150 Ca -0.01 -0.46 -0.08 0.00 -0.03 0.00 0.00 56.01 55.43 3gbv n LEU 150 Cb 0.68 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 3gbv n LEU 150 CO 0.43 0.25 -0.08 0.61 -1.33 0.00 0.00 177.39 177.26 3gbv n GLY 151 N 1.23 0.84 3.54 -0.72 0.00 -0.27 -4.99 105.19 104.80 3gbv n GLY 151 Ca 0.17 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3gbv n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbv s ILE 152 N -2.32 5.08 0.35 -0.61 1.01 0.07 -5.02 121.20 119.77 3gbv s ILE 152 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.46 3gbv s ILE 152 Cb 0.00 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 3gbv s ILE 152 CO 0.00 -0.21 1.25 -2.16 0.00 0.00 0.00 174.94 173.81 3gbv s PRO 153 N 2.21 4.27 0.09 2.79 0.04 -1.26 -4.36 135.00 138.78 3gbv s PRO 153 Ca 0.15 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.31 3gbv s PRO 153 Cb -0.16 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3gbv s PRO 153 CO 0.13 -0.20 -0.13 1.52 0.04 0.00 0.00 177.00 178.35 3gbv s TYR 154 N -1.22 1.22 -0.09 0.56 -0.85 -1.26 -1.81 117.35 113.90 3gbv s TYR 154 Ca 0.51 -0.52 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 3gbv s TYR 154 Cb -0.37 -0.67 0.01 0.00 0.38 0.00 0.00 41.96 41.31 3gbv s TYR 154 CO 0.48 0.06 -0.19 0.42 -1.52 0.00 0.00 175.55 174.80 3gbv s ILE 155 N -1.70 1.71 0.06 -3.49 1.01 0.47 -0.97 121.20 118.28 3gbv s ILE 155 Ca 0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 3gbv s ILE 155 Cb -0.07 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 3gbv s ILE 155 CO 0.02 0.48 0.59 -0.31 0.00 0.00 0.00 174.94 175.72 3gbv s TYR 156 N 0.50 3.78 0.07 3.97 2.02 -0.56 -1.04 117.35 126.10 3gbv s TYR 156 Ca -0.17 1.27 0.04 0.00 -0.37 0.00 0.00 57.07 57.85 3gbv s TYR 156 Cb -0.17 -2.54 -0.03 0.00 -0.40 0.00 0.00 41.96 38.82 3gbv s TYR 156 CO 0.06 0.52 -0.12 0.96 -1.57 0.00 0.00 175.55 175.40 3gbv s ILE 157 N -0.86 0.98 0.00 2.71 -4.36 -0.70 -1.28 121.20 117.70 3gbv s ILE 157 Ca 0.30 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 3gbv s ILE 157 Cb -0.19 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.48 3gbv s ILE 157 CO 0.19 -0.31 0.00 -0.67 0.24 0.00 0.00 174.94 174.38 3gbv n ASP 158 N 1.17 0.00 -4.07 4.36 2.03 -0.47 -4.23 116.55 115.35 3gbv n ASP 158 Ca -0.20 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.00 3gbv n ASP 158 Cb 0.55 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.87 3gbv n ASP 158 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3gbv s SER 159 N 0.00 0.08 0.13 1.67 1.04 -1.26 -4.26 113.70 111.10 3gbv s SER 159 Ca 0.00 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.35 3gbv s SER 159 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 3gbv s SER 159 CO 0.00 -0.91 -0.00 0.00 0.98 0.00 0.00 173.24 173.31 3gbv s GLN 160 N -4.05 0.93 -0.39 4.02 -2.07 -1.26 -4.54 119.66 112.30 3gbv s GLN 160 Ca 0.25 -1.42 0.00 0.00 -1.82 0.00 0.00 55.36 52.38 3gbv s GLN 160 Cb 0.04 -0.04 0.11 0.00 -1.09 0.00 0.00 33.01 32.03 3gbv s GLN 160 CO 0.06 -0.14 0.15 0.42 -1.32 0.00 0.00 175.29 174.45 3gbv s ILE 161 N -3.80 2.85 0.53 3.63 1.01 -1.26 -5.00 121.20 119.16 3gbv s ILE 161 Ca 0.19 -2.26 0.29 0.00 0.00 0.00 0.00 60.65 58.86 3gbv s ILE 161 Cb 0.07 -3.00 0.45 0.00 0.01 0.00 0.00 42.46 39.98 3gbv s ILE 161 CO -0.00 -0.66 1.93 0.11 0.00 0.00 0.00 174.94 176.31 3gbv h LYS 162 N 7.77 0.02 -0.73 2.79 1.57 -2.01 -1.82 116.57 124.16 3gbv h LYS 162 Ca -0.09 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3gbv h LYS 162 Cb 1.03 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 3gbv h LYS 162 CO 0.62 0.01 0.11 -0.40 -0.57 0.00 0.00 179.45 179.22 3gbv n ASP 163 N -4.32 4.60 -2.96 0.86 5.75 -1.26 -4.10 116.55 115.13 3gbv n ASP 163 Ca 0.15 -2.87 -0.14 0.00 -0.01 0.00 0.00 54.79 51.93 3gbv n ASP 163 Cb 0.82 -0.68 0.02 0.00 -1.03 0.00 0.00 41.12 40.26 3gbv n ASP 163 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gbv n ALA 164 N 0.24 0.59 -1.60 2.12 0.00 -0.68 -5.14 120.51 116.04 3gbv n ALA 164 Ca 0.28 -2.42 -0.45 0.00 0.00 0.00 0.00 53.44 50.85 3gbv n ALA 164 Cb 1.11 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 3gbv n ALA 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gbv n PRO 165 N 0.48 1.41 -1.40 0.00 -0.04 -1.25 -4.75 135.00 129.44 3gbv n PRO 165 Ca 0.15 0.49 -0.03 0.00 -0.04 0.00 0.00 63.50 64.08 3gbv n PRO 165 Cb 0.67 -1.89 0.01 0.00 -0.04 0.00 0.00 33.50 32.24 3gbv n PRO 165 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3gbv n PRO 166 N 0.81 1.06 -0.05 0.54 -0.04 -1.26 -5.01 135.00 131.05 3gbv n PRO 166 Ca 0.10 -0.43 -0.16 0.00 -0.04 0.00 0.00 63.50 62.97 3gbv n PRO 166 Cb 0.32 -0.01 -0.05 0.00 -0.04 0.00 0.00 33.50 33.72 3gbv n PRO 166 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gbv h LEU 167 N 0.00 0.94 -7.00 1.53 5.85 -1.44 -3.47 115.31 111.72 3gbv h LEU 167 Ca -0.04 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 3gbv h LEU 167 Cb 0.17 -0.27 -0.16 0.00 0.37 0.00 0.00 40.66 40.76 3gbv h LEU 167 CO 0.06 1.35 0.26 0.00 -0.34 0.00 0.00 178.44 179.76 3gbv s ALA 168 N -3.94 -1.73 -0.04 1.25 0.00 -1.25 -4.29 121.76 111.76 3gbv s ALA 168 Ca -0.10 1.01 0.04 0.00 0.00 0.00 0.00 51.96 52.91 3gbv s ALA 168 Cb 0.10 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 3gbv s ALA 168 CO 0.89 -0.54 -0.17 0.12 0.00 0.00 0.00 175.76 176.06 3gbv s PHE 169 N -2.32 1.70 -0.17 0.00 5.36 0.57 -1.49 117.98 121.63 3gbv s PHE 169 Ca -0.04 -0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 55.43 3gbv s PHE 169 Cb -0.01 -1.15 0.04 0.00 -0.34 0.00 0.00 43.02 41.57 3gbv s PHE 169 CO -0.01 -0.17 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.47 3gbv s PHE 170 N 0.07 1.68 0.00 10.12 0.08 -0.40 -1.47 117.98 128.06 3gbv s PHE 170 Ca -0.04 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 55.92 3gbv s PHE 170 Cb -0.12 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 3gbv s PHE 170 CO 0.02 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 174.94 3gbv n GLY 171 N 4.88 -0.10 3.87 4.36 0.00 -1.17 -1.37 105.19 115.65 3gbv n GLY 171 Ca -0.12 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 3gbv n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gbv s GLN 172 N -2.00 3.72 -0.73 1.61 -0.21 -1.26 -4.15 119.66 116.64 3gbv s GLN 172 Ca 0.00 0.71 -0.27 0.00 0.02 0.00 0.00 55.36 55.82 3gbv s GLN 172 Cb 0.00 -2.17 0.02 0.00 1.00 0.00 0.00 33.01 31.86 3gbv s GLN 172 CO 0.00 -0.37 1.38 1.21 -2.12 0.00 0.00 175.29 175.39 3gbv s ASN 173 N -3.72 6.02 0.19 5.90 3.84 -1.26 -4.86 114.94 121.06 3gbv s ASN 173 Ca 0.55 -0.35 -0.13 0.00 0.21 0.00 0.00 52.86 53.13 3gbv s ASN 173 Cb -0.10 -2.56 0.20 0.00 -0.55 0.00 0.00 41.25 38.24 3gbv s ASN 173 CO 0.43 -1.92 1.68 0.77 -2.79 0.00 0.00 177.10 175.27 3gbv h SER 174 N 10.81 -0.25 -0.25 -4.21 4.64 -1.92 0.14 113.55 122.50 3gbv h SER 174 Ca -0.26 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 3gbv h SER 174 Cb 1.07 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3gbv h SER 174 CO 1.27 -0.09 0.11 0.45 -0.87 0.00 0.00 176.83 177.70 3gbv h HIS 175 N 0.10 0.36 -0.84 4.77 3.86 -1.89 -0.91 115.15 120.59 3gbv h HIS 175 Ca 0.26 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3gbv h HIS 175 Cb 0.40 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 3gbv h HIS 175 CO -0.33 0.36 0.42 0.37 0.86 0.00 0.00 177.93 179.60 3gbv h GLN 176 N 0.26 1.20 -0.41 2.45 5.75 -1.84 -0.41 115.11 122.12 3gbv h GLN 176 Ca 0.08 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3gbv h GLN 176 Cb 0.14 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 3gbv h GLN 176 CO -0.01 0.92 0.18 1.03 -2.65 0.00 0.00 178.83 178.30 3gbv h SER 177 N 1.19 0.24 -0.65 -0.69 0.87 -0.36 0.31 113.55 114.46 3gbv h SER 177 Ca 0.29 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.81 3gbv h SER 177 Cb 0.10 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3gbv h SER 177 CO -0.04 0.18 0.12 1.23 -0.53 0.00 0.00 176.83 177.79 3gbv h GLY 178 N 0.37 1.14 0.96 5.77 0.00 -0.64 -1.11 103.07 109.56 3gbv h GLY 178 Ca 0.18 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.77 3gbv h GLY 178 CO -0.15 0.69 0.06 -1.82 0.00 0.00 0.00 176.54 175.33 3gbv h TYR 179 N 0.98 0.12 -0.30 5.60 3.20 -0.60 -1.72 116.97 124.24 3gbv h TYR 179 Ca 0.20 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.11 3gbv h TYR 179 Cb 0.41 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 3gbv h TYR 179 CO 0.03 0.07 0.08 0.35 -1.64 0.00 0.00 178.16 177.06 3gbv h PHE 180 N 0.14 0.15 -0.89 -3.82 3.57 -0.79 -1.98 116.94 113.31 3gbv h PHE 180 Ca 0.05 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3gbv h PHE 180 Cb 0.00 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 3gbv h PHE 180 CO -0.08 0.05 0.55 0.00 -2.23 0.00 0.00 178.31 176.59 3gbv h ALA 181 N 1.21 1.27 -0.23 2.41 0.00 -0.87 -2.09 119.26 120.96 3gbv h ALA 181 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gbv h ALA 181 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gbv h ALA 181 CO -0.16 0.23 0.11 0.00 0.00 0.00 0.00 179.25 179.43 3gbv h ALA 182 N 1.45 0.29 0.00 0.00 0.00 -0.87 -0.09 119.26 120.04 3gbv h ALA 182 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gbv h ALA 182 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gbv h ALA 182 CO -0.21 -0.14 0.00 -2.13 0.00 0.00 0.00 179.25 176.76 3gbv n ARG 183 N -4.84 0.00 -1.02 0.00 3.00 -0.78 -4.57 116.66 108.45 3gbv n ARG 183 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 3gbv n ARG 183 Cb 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 31.67 3gbv n ARG 183 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3gbv n LEU 185 N 0.31 0.00 0.00 6.15 7.94 -0.05 -4.81 117.00 126.54 3gbv n LEU 185 Ca 0.00 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 3gbv n LEU 185 Cb 0.00 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.68 3gbv n LEU 185 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.17 3gbv n LEU 187 N -0.66 0.00 0.10 -1.96 7.94 -1.26 -0.52 117.00 120.63 3gbv n LEU 187 Ca 0.00 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.67 3gbv n LEU 187 Cb 0.13 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.95 3gbv n LEU 187 CO 0.00 0.00 -0.08 -0.07 -1.11 0.00 0.00 177.39 176.13 3gbv h LEU 188 N 0.00 0.87 -3.83 -1.96 3.38 -1.95 -3.34 115.31 108.48 3gbv h LEU 188 Ca 0.00 -0.84 -0.57 0.00 0.09 0.00 0.00 57.88 56.56 3gbv h LEU 188 Cb 0.00 -0.27 -0.32 0.00 0.09 0.00 0.00 40.66 40.15 3gbv h LEU 188 CO 0.00 1.62 0.14 0.00 0.09 0.00 0.00 178.44 180.29 3gbv n ALA 189 N -2.69 5.60 -0.33 1.53 0.00 0.32 -4.85 120.51 120.10 3gbv n ALA 189 Ca -0.14 -3.53 -0.05 0.00 0.00 0.00 0.00 53.44 49.72 3gbv n ALA 189 Cb 0.99 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 3gbv n ALA 189 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gbv n VAL 190 N -0.88 -0.49 -2.97 0.00 0.24 -1.25 -1.96 118.33 111.02 3gbv n VAL 190 Ca 0.53 1.93 -0.31 0.00 -2.04 0.00 0.00 64.34 64.44 3gbv n VAL 190 Cb 0.87 -2.46 -0.03 0.00 -1.47 0.00 0.00 33.84 30.75 3gbv n VAL 190 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3gbv n ASN 191 N -5.10 5.05 -4.57 -1.34 4.13 -1.26 -5.01 115.26 107.15 3gbv n ASN 191 Ca 0.05 -3.63 -0.30 0.00 1.68 0.00 0.00 54.58 52.38 3gbv n ASN 191 Cb 0.27 -0.74 -0.10 0.00 -1.54 0.00 0.00 39.78 37.67 3gbv n ASN 191 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3gbv s ASP 192 N -2.80 4.37 0.08 6.41 1.11 -0.83 -5.04 116.67 119.98 3gbv s ASP 192 Ca 0.45 -0.39 0.23 0.00 0.18 0.00 0.00 52.55 53.02 3gbv s ASP 192 Cb 0.23 -0.83 0.18 0.00 1.07 0.00 0.00 42.92 43.57 3gbv s ASP 192 CO -0.10 0.18 1.16 0.54 1.18 0.00 0.00 175.17 178.13 3gbv n ARG 193 N 0.74 0.30 -3.70 8.23 5.12 -1.26 -4.87 116.66 121.21 3gbv n ARG 193 Ca -0.14 0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.69 3gbv n ARG 193 Cb 0.52 -1.64 -0.07 0.00 -1.16 0.00 0.00 32.46 30.11 3gbv n ARG 193 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3gbv s GLU 194 N -3.19 0.83 0.13 5.56 2.02 -1.26 -1.29 118.70 121.51 3gbv s GLU 194 Ca 0.05 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.76 3gbv s GLU 194 Cb 0.14 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 34.69 3gbv s GLU 194 CO 0.77 -0.26 -0.05 0.96 0.02 0.00 0.00 175.26 176.69 3gbv s ILE 195 N -2.05 0.75 -0.02 -1.63 -5.25 -0.85 -4.54 121.20 107.60 3gbv s ILE 195 Ca -0.08 -1.97 0.05 0.00 -0.99 0.00 0.00 60.65 57.66 3gbv s ILE 195 Cb -0.02 -1.86 -0.01 0.00 2.95 0.00 0.00 42.46 43.52 3gbv s ILE 195 CO 0.00 -0.72 -0.18 0.54 -1.79 0.00 0.00 174.94 172.80 3gbv s VAL 196 N -3.60 1.43 -0.23 8.37 0.11 -0.84 -1.13 120.40 124.52 3gbv s VAL 196 Ca 0.17 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 3gbv s VAL 196 Cb 0.05 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 3gbv s VAL 196 CO -0.01 0.41 0.06 -0.63 -3.33 0.00 0.00 175.10 171.60 3gbv s ILE 197 N -0.27 4.34 -0.11 7.04 1.01 0.07 -0.54 121.20 132.74 3gbv s ILE 197 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 3gbv s ILE 197 Cb -0.09 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3gbv s ILE 197 CO 0.00 0.37 0.19 -0.36 0.00 0.00 0.00 174.94 175.14 3gbv s PHE 198 N 1.32 3.59 0.33 3.97 0.08 0.38 -1.21 117.98 126.45 3gbv s PHE 198 Ca 0.05 0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.71 3gbv s PHE 198 Cb -0.15 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 3gbv s PHE 198 CO 0.03 0.64 0.08 1.03 -0.10 0.00 0.00 175.22 176.90 3gbv s ARG 199 N -0.77 1.67 -0.17 0.44 0.52 -0.23 -4.15 118.95 116.26 3gbv s ARG 199 Ca 0.15 -1.94 -0.01 0.00 -0.52 0.00 0.00 55.73 53.41 3gbv s ARG 199 Cb -0.13 -0.73 0.04 0.00 0.52 0.00 0.00 34.95 34.66 3gbv s ARG 199 CO 0.05 -0.26 -0.04 0.15 0.02 0.00 0.00 175.30 175.21 3gbv s LYS 200 N -3.88 1.37 0.25 3.54 -0.14 -1.26 -0.93 119.74 118.68 3gbv s LYS 200 Ca 0.34 -0.53 0.08 0.00 -1.36 0.00 0.00 55.97 54.50 3gbv s LYS 200 Cb 0.07 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 34.14 3gbv s LYS 200 CO 0.15 -0.46 -0.13 0.96 -0.76 0.00 0.00 175.35 175.11 3gbv s ILE 201 N 1.64 1.87 -0.28 2.17 -4.36 -0.66 -4.61 121.20 116.97 3gbv s ILE 201 Ca 0.00 -2.22 -0.23 0.00 -0.26 0.00 0.00 60.65 57.94 3gbv s ILE 201 Cb -0.16 -2.25 0.10 0.00 1.25 0.00 0.00 42.46 41.40 3gbv s ILE 201 CO -0.08 -0.45 0.85 -2.28 0.24 0.00 0.00 174.94 173.22 3gbv s HIS 202 N -2.88 -0.70 -1.63 1.37 2.46 -0.32 -1.25 115.29 112.35 3gbv s HIS 202 Ca 0.27 1.62 -0.17 0.00 0.47 0.00 0.00 55.06 57.24 3gbv s HIS 202 Cb -0.00 0.36 0.13 0.00 -0.13 0.00 0.00 32.58 32.94 3gbv s HIS 202 CO 0.10 -0.34 0.88 0.39 -2.47 0.00 0.00 174.74 173.31 3gbv n GLU 203 N 2.85 -4.26 0.00 2.88 -0.58 -1.26 -0.96 120.64 119.31 3gbv n GLU 203 Ca -0.15 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 3gbv n GLU 203 Cb 0.56 -5.29 0.00 0.00 -0.57 0.00 0.00 31.44 26.14 3gbv n GLU 203 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gbv n GLY 204 N -1.53 2.56 3.82 0.62 0.00 -1.26 -4.99 105.19 104.41 3gbv n GLY 204 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3gbv n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gbv s VAL 205 N -1.52 4.19 -0.38 1.61 -7.23 -0.13 -5.01 120.40 111.93 3gbv s VAL 205 Ca 0.00 -1.43 0.23 0.00 -1.81 0.00 0.00 61.98 58.97 3gbv s VAL 205 Cb 0.00 -3.32 0.09 0.00 0.56 0.00 0.00 36.38 33.70 3gbv s VAL 205 CO 0.00 -0.32 1.24 -0.29 -0.31 0.00 0.00 175.10 175.42 3gbv h ILE 206 N 1.47 0.00 -3.22 -0.62 2.10 -1.83 -0.83 117.51 114.58 3gbv h ILE 206 Ca -0.47 -0.87 -0.36 0.00 1.08 0.00 0.00 64.86 64.23 3gbv h ILE 206 Cb 1.24 1.50 0.02 0.00 -1.09 0.00 0.00 36.82 38.49 3gbv h ILE 206 CO 0.60 0.00 -0.50 0.61 -1.08 0.00 0.00 178.15 177.79 3gbv n GLY 207 N 1.20 -0.38 3.23 8.18 0.00 -1.26 -4.80 105.19 111.36 3gbv n GLY 207 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3gbv n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gbv s SER 208 N -2.44 -0.49 0.25 1.61 0.15 -1.26 -4.77 113.70 106.75 3gbv s SER 208 Ca 0.12 0.44 -0.05 0.00 0.70 0.00 0.00 55.95 57.16 3gbv s SER 208 Cb -0.05 1.47 0.30 0.00 -1.71 0.00 0.00 66.02 66.03 3gbv s SER 208 CO 0.15 -0.09 1.91 0.78 1.20 0.00 0.00 173.24 177.19 3gbv h ASN 209 N 7.75 1.10 -0.24 5.45 2.35 -1.91 -2.38 115.58 127.70 3gbv h ASN 209 Ca -0.15 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 3gbv h ASN 209 Cb 1.15 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3gbv h ASN 209 CO -0.01 0.77 0.07 -0.61 -1.65 0.00 0.00 177.43 176.00 3gbv h GLN 210 N 1.28 0.38 -0.00 0.81 5.75 -1.96 0.84 115.11 122.21 3gbv h GLN 210 Ca 0.39 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3gbv h GLN 210 Cb -0.05 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 3gbv h GLN 210 CO -0.11 0.47 -0.00 1.96 -2.65 0.00 0.00 178.83 178.50 3gbv h GLN 211 N 0.22 0.01 0.07 1.69 4.20 -1.74 0.40 115.11 119.96 3gbv h GLN 211 Ca 0.08 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 3gbv h GLN 211 Cb 0.25 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3gbv h GLN 211 CO -0.00 0.01 -0.85 1.49 -0.67 0.00 0.00 178.83 178.81 3gbv h GLU 212 N 0.01 0.15 0.00 1.46 4.81 -1.12 -3.28 114.58 116.61 3gbv h GLU 212 Ca 0.00 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 3gbv h GLU 212 Cb 0.01 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3gbv h GLU 212 CO 0.00 1.13 -0.29 1.03 -0.73 0.00 0.00 179.01 180.14 3gbv h SER 213 N -0.62 0.00 -0.36 1.04 0.87 -0.60 -2.79 113.55 111.09 3gbv h SER 213 Ca -0.19 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.31 3gbv h SER 213 Cb 1.45 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 3gbv h SER 213 CO 0.02 0.29 -0.03 0.03 -0.53 0.00 0.00 176.83 176.62 3gbv h ARG 214 N 0.00 0.66 -0.69 2.24 3.08 -1.05 -2.49 114.38 116.13 3gbv h ARG 214 Ca -0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3gbv h ARG 214 Cb 0.53 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3gbv h ARG 214 CO 0.04 0.78 0.44 1.49 -1.07 0.00 0.00 179.97 181.65 3gbv h GLU 215 N 0.47 0.91 -0.17 0.04 4.81 -1.56 0.11 114.58 119.18 3gbv h GLU 215 Ca 0.10 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3gbv h GLU 215 Cb 0.51 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3gbv h GLU 215 CO 0.02 0.62 0.06 0.82 -0.73 0.00 0.00 179.01 179.81 3gbv h ILE 216 N 0.94 1.17 -0.76 2.32 2.04 -1.31 0.35 117.51 122.26 3gbv h ILE 216 Ca 0.25 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3gbv h ILE 216 Cb -0.08 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3gbv h ILE 216 CO -0.05 0.17 0.35 1.23 0.00 0.00 0.00 178.15 179.84 3gbv h GLY 217 N 0.12 1.18 0.73 5.37 0.00 -0.98 -0.30 103.07 109.18 3gbv h GLY 217 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 3gbv h GLY 217 CO -0.00 0.57 -0.34 -2.75 0.00 0.00 0.00 176.54 174.02 3gbv h PHE 218 N 1.07 -0.91 -0.59 5.60 3.57 -0.41 -1.99 116.94 123.28 3gbv h PHE 218 Ca 0.26 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.84 3gbv h PHE 218 Cb 0.14 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 3gbv h PHE 218 CO 0.01 -0.49 0.40 0.00 -2.23 0.00 0.00 178.31 175.99 3gbv h ARG 219 N -0.76 0.49 -0.68 1.11 3.08 -0.01 -1.45 114.38 116.16 3gbv h ARG 219 Ca -0.04 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 3gbv h ARG 219 Cb 0.66 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 3gbv h ARG 219 CO -0.01 0.32 0.11 0.37 -1.07 0.00 0.00 179.97 179.70 3gbv h GLN 220 N 0.50 1.12 -0.75 0.04 4.15 -0.55 -0.92 115.11 118.71 3gbv h GLN 220 Ca 0.26 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3gbv h GLN 220 Cb 0.39 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3gbv h GLN 220 CO -0.08 1.02 0.00 0.98 -1.93 0.00 0.00 178.83 178.82 3gbv n TYR 221 N -4.22 0.00 0.00 3.99 9.36 -0.55 -1.71 117.16 124.04 3gbv n TYR 221 Ca 0.04 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3gbv n TYR 221 Cb 0.29 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 3gbv n TYR 221 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 3gbv n GLN 223 N 0.54 0.00 0.09 2.98 7.27 -0.35 -0.57 117.38 127.34 3gbv n GLN 223 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 3gbv n GLN 223 Cb 0.08 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.60 3gbv n GLN 223 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 3gbv h GLU 224 N 0.00 0.19 0.00 3.69 4.81 -1.57 -3.36 114.58 118.35 3gbv h GLU 224 Ca 0.00 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3gbv h GLU 224 Cb 0.00 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3gbv h GLU 224 CO 0.00 1.14 -1.05 0.72 -0.73 0.00 0.00 179.01 179.09 3gbv n HIS 225 N -3.47 0.00 -3.09 0.92 8.25 0.27 -4.87 115.22 113.24 3gbv n HIS 225 Ca -0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 3gbv n HIS 225 Cb 1.00 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 32.06 3gbv n HIS 225 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gbv n HIS 226 N -1.88 0.74 0.24 4.41 8.25 -1.26 -4.95 115.22 120.77 3gbv n HIS 226 Ca -0.01 -3.70 0.16 0.00 -0.26 0.00 0.00 57.72 53.91 3gbv n HIS 226 Cb 0.37 -0.42 0.84 0.00 1.12 0.00 0.00 29.99 31.91 3gbv n HIS 226 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gbv h PRO 227 N 2.99 0.00 0.00 -0.41 0.13 -1.90 -2.16 132.00 130.65 3gbv h PRO 227 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3gbv h PRO 227 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3gbv h PRO 227 CO 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 3gbv h ALA 228 N 1.87 1.00 -2.22 -0.56 0.00 -1.93 -3.44 119.26 113.97 3gbv h ALA 228 Ca 0.05 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.40 3gbv h ALA 228 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3gbv h ALA 228 CO -0.00 0.00 0.81 0.00 0.00 0.00 0.00 179.25 180.06 3gbv s ASN 230 N 1.74 7.32 -0.31 0.00 2.47 -0.41 -4.94 114.94 120.81 3gbv s ASN 230 Ca 0.55 1.90 -0.11 0.00 0.42 0.00 0.00 52.86 55.63 3gbv s ASN 230 Cb -0.23 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 36.96 3gbv s ASN 230 CO 0.18 -0.23 0.18 -0.63 -3.72 0.00 0.00 177.10 172.87 3gbv s ILE 231 N 0.33 4.89 0.21 -5.21 1.01 -1.26 -2.01 121.20 119.17 3gbv s ILE 231 Ca 0.51 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.94 3gbv s ILE 231 Cb -0.26 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3gbv s ILE 231 CO 0.31 0.10 0.37 -0.76 0.00 0.00 0.00 174.94 174.96 3gbv s LEU 232 N 1.67 4.25 0.00 2.97 1.43 -0.28 -5.00 118.68 123.73 3gbv s LEU 232 Ca 0.06 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3gbv s LEU 232 Cb -0.17 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 3gbv s LEU 232 CO 0.08 -0.05 -0.06 -1.61 0.23 0.00 0.00 176.35 174.93 3gbv s GLU 233 N -3.57 0.49 -0.17 1.70 8.01 -1.26 -0.75 118.70 123.16 3gbv s GLU 233 Ca 0.36 -0.31 -0.02 0.00 0.01 0.00 0.00 54.97 55.02 3gbv s GLU 233 Cb -0.10 -0.45 0.05 0.00 -4.31 0.00 0.00 34.13 29.32 3gbv s GLU 233 CO 0.30 0.12 0.02 -1.17 0.01 0.00 0.00 175.26 174.53 3gbv s LEU 234 N -0.38 1.11 -0.57 1.80 2.96 -0.35 -4.93 118.68 118.32 3gbv s LEU 234 Ca 0.00 -0.66 -0.21 0.00 -0.22 0.00 0.00 54.13 53.05 3gbv s LEU 234 Cb -0.04 -0.60 0.07 0.00 0.50 0.00 0.00 46.19 46.13 3gbv s LEU 234 CO -0.00 -0.27 0.77 0.20 -1.32 0.00 0.00 176.35 175.73 3gbv s ASN 235 N 1.86 6.22 0.57 3.68 0.01 -1.26 -1.07 114.94 124.95 3gbv s ASN 235 Ca 0.00 -1.00 -0.15 0.00 -0.71 0.00 0.00 52.86 51.00 3gbv s ASN 235 Cb -0.16 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 3gbv s ASN 235 CO -0.07 -1.13 1.03 -0.76 -1.51 0.00 0.00 177.10 174.65 3gbv s LEU 236 N 3.18 3.48 -0.08 0.60 1.43 -0.11 -4.85 118.68 122.34 3gbv s LEU 236 Ca 0.18 1.66 -0.20 0.00 -1.03 0.00 0.00 54.13 54.74 3gbv s LEU 236 Cb -0.19 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 3gbv s LEU 236 CO 0.11 -0.93 0.56 -1.00 0.23 0.00 0.00 176.35 175.32 3gbv s HIS 237 N -2.66 3.57 0.00 0.29 3.76 -1.26 -1.66 115.29 117.33 3gbv s HIS 237 Ca 0.60 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 56.57 3gbv s HIS 237 Cb -0.13 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.94 3gbv s HIS 237 CO 0.38 0.20 0.82 0.00 -0.85 0.00 0.00 174.74 175.29 3gbv n ALA 238 N 3.43 -0.15 -2.87 -1.40 0.00 -0.38 -3.15 120.51 115.99 3gbv n ALA 238 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 3gbv n ALA 238 Cb 0.51 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3gbv n ALA 238 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gbv n ASP 239 N -1.88 6.39 0.92 0.00 2.03 -1.26 -5.07 116.55 117.69 3gbv n ASP 239 Ca 0.00 -3.58 0.00 0.00 0.52 0.00 0.00 54.79 51.73 3gbv n ASP 239 Cb 0.00 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 3gbv n ASP 239 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gbv n LEU 240 N 0.45 0.00 -4.18 -2.67 -0.00 -1.19 -5.17 117.00 104.25 3gbv n LEU 240 Ca 0.37 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 56.04 3gbv n LEU 240 Cb 0.31 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.58 3gbv n LEU 240 CO 0.56 0.00 -0.49 -1.61 -0.00 0.00 0.00 177.39 175.85 3gbv s GLU 243 N 0.00 3.10 0.52 1.47 2.02 -1.26 -5.08 118.70 119.47 3gbv s GLU 243 Ca 0.00 -0.77 0.22 0.00 0.02 0.00 0.00 54.97 54.44 3gbv s GLU 243 Cb 0.00 -2.69 1.34 0.00 0.10 0.00 0.00 34.13 32.89 3gbv s GLU 243 CO 0.00 -0.20 2.03 -0.44 0.02 0.00 0.00 175.26 176.68 3gbv h ASP 244 N 7.95 0.02 -0.26 -0.19 3.32 -1.98 -2.84 116.42 122.45 3gbv h ASP 244 Ca -0.44 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.63 3gbv h ASP 244 Cb 1.15 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3gbv h ASP 244 CO 0.63 0.01 0.10 0.28 -1.72 0.00 0.00 179.24 178.54 3gbv h SER 245 N 0.03 0.13 0.00 6.45 0.02 -2.02 -0.89 113.55 117.27 3gbv h SER 245 Ca 0.19 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3gbv h SER 245 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3gbv h SER 245 CO -0.01 0.11 0.00 -1.14 -1.14 0.00 0.00 176.83 174.65 3gbv n ARG 246 N -5.01 0.25 0.00 3.45 0.63 -1.08 -0.12 116.66 114.78 3gbv n ARG 246 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3gbv n ARG 246 Cb 0.08 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.62 3gbv n ARG 246 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3gbv n LEU 248 N 0.89 0.00 -0.10 6.15 4.32 -0.34 -1.40 117.00 126.52 3gbv n LEU 248 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.93 3gbv n LEU 248 Cb 0.13 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 3gbv n LEU 248 CO 0.00 0.00 0.79 0.44 -1.22 0.00 0.00 177.39 177.40 3gbv h ASP 249 N 0.00 -0.37 -0.50 -1.43 3.32 -0.78 -1.13 116.42 115.52 3gbv h ASP 249 Ca 0.00 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3gbv h ASP 249 Cb 0.00 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3gbv h ASP 249 CO 0.00 -0.13 0.01 0.44 -1.72 0.00 0.00 179.24 177.83 3gbv h ASP 250 N -0.02 0.90 -0.31 6.45 3.32 -1.49 -1.91 116.42 123.35 3gbv h ASP 250 Ca 0.17 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3gbv h ASP 250 Cb 0.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3gbv h ASP 250 CO -0.37 0.95 0.16 0.15 -1.72 0.00 0.00 179.24 178.41 3gbv h PHE 251 N 0.85 0.31 0.00 4.55 3.57 -1.57 -0.67 116.94 123.98 3gbv h PHE 251 Ca 0.16 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3gbv h PHE 251 Cb 0.50 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3gbv h PHE 251 CO 0.03 0.17 -0.30 0.74 -2.23 0.00 0.00 178.31 176.72 3gbv h PHE 252 N 0.34 0.00 -0.13 0.41 -1.00 -1.14 0.11 116.94 115.54 3gbv h PHE 252 Ca 0.13 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 3gbv h PHE 252 Cb 0.03 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 3gbv h PHE 252 CO -0.09 0.30 -0.08 -0.09 -1.61 0.00 0.00 178.31 176.74 3gbv h ARG 253 N 0.00 0.28 -0.26 1.51 2.43 -0.85 -1.40 114.38 116.09 3gbv h ARG 253 Ca -0.00 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 3gbv h ARG 253 Cb 0.88 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3gbv h ARG 253 CO 0.04 0.64 -0.36 1.49 -1.51 0.00 0.00 179.97 180.27 3gbv h GLU 254 N -0.07 0.57 -2.41 0.20 4.22 -0.95 -3.36 114.58 112.77 3gbv h GLU 254 Ca 0.03 -0.27 -0.59 0.00 0.08 0.00 0.00 59.36 58.60 3gbv h GLU 254 Cb 0.56 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.40 3gbv h GLU 254 CO 0.02 0.84 -0.79 0.72 -2.18 0.00 0.00 179.01 177.63 3gbv n HIS 255 N -4.05 1.63 0.72 0.92 8.25 0.37 -4.96 115.22 118.09 3gbv n HIS 255 Ca -0.01 -3.88 0.10 0.00 -0.26 0.00 0.00 57.72 53.67 3gbv n HIS 255 Cb 0.49 -0.35 0.44 0.00 1.12 0.00 0.00 29.99 31.68 3gbv n HIS 255 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3gbv n PRO 256 N 1.68 0.02 -0.04 -0.41 -0.04 -0.54 -3.71 135.00 131.97 3gbv n PRO 256 Ca 0.25 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.93 3gbv n PRO 256 Cb 0.44 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.48 3gbv n PRO 256 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gbv n ASP 257 N -1.48 2.39 -4.71 3.54 8.00 -1.26 -4.95 116.55 118.08 3gbv n ASP 257 Ca 0.05 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 3gbv n ASP 257 Cb 0.23 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 3gbv n ASP 257 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gbv s VAL 258 N -1.20 4.04 -0.03 2.53 0.11 -1.24 -4.91 120.40 119.70 3gbv s VAL 258 Ca 0.19 1.45 0.18 0.00 -2.93 0.00 0.00 61.98 60.87 3gbv s VAL 258 Cb 0.13 -3.93 -0.27 0.00 -1.53 0.00 0.00 36.38 30.78 3gbv s VAL 258 CO 0.19 0.09 0.37 0.29 -3.33 0.00 0.00 175.10 172.71 3gbv n LYS 259 N 4.19 0.58 -4.20 1.54 4.76 -1.26 -4.92 118.16 118.85 3gbv n LYS 259 Ca 0.09 -0.15 -0.16 0.00 -2.87 0.00 0.00 58.31 55.22 3gbv n LYS 259 Cb 0.46 -1.42 -0.13 0.00 -1.84 0.00 0.00 35.03 32.10 3gbv n LYS 259 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3gbv s HIS 260 N -3.19 0.75 0.24 2.13 3.76 -1.26 -2.21 115.29 115.52 3gbv s HIS 260 Ca -0.07 -0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 3gbv s HIS 260 Cb 0.11 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 3gbv s HIS 260 CO 0.74 -0.02 0.26 0.20 -0.85 0.00 0.00 174.74 175.06 3gbv s GLY 261 N -0.83 1.39 0.06 -2.22 0.00 -1.06 -1.99 107.32 102.67 3gbv s GLY 261 Ca -0.02 -1.57 -0.17 0.00 0.00 0.00 0.00 44.72 42.96 3gbv s GLY 261 CO 0.00 -1.21 0.40 -1.50 0.00 0.00 0.00 173.10 170.80 3gbv s ILE 262 N -3.91 0.06 0.07 0.90 2.07 0.30 -2.04 121.20 118.65 3gbv s ILE 262 Ca 0.35 -0.49 0.02 0.00 -1.41 0.00 0.00 60.65 59.11 3gbv s ILE 262 Cb 0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 3gbv s ILE 262 CO 0.15 -0.27 -0.07 0.28 -1.91 0.00 0.00 174.94 173.11 3gbv s THR 263 N -2.74 0.58 -1.30 4.00 -1.32 -1.08 -0.47 115.64 113.30 3gbv s THR 263 Ca -0.04 -1.47 0.11 0.00 -1.21 0.00 0.00 61.69 59.08 3gbv s THR 263 Cb -0.00 -1.10 0.13 0.00 -1.51 0.00 0.00 72.50 70.02 3gbv s THR 263 CO -0.04 -0.62 0.92 0.49 -2.21 0.00 0.00 174.62 173.15 3gbv n PHE 264 N 0.76 0.08 -2.77 9.09 3.72 -1.26 -4.40 117.46 122.69 3gbv n PHE 264 Ca -0.18 -0.09 -0.21 0.00 -0.05 0.00 0.00 57.45 56.92 3gbv n PHE 264 Cb 0.58 -0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.21 3gbv n PHE 264 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3gbv n ASN 265 N 0.60 1.61 -1.07 4.37 0.23 -1.26 -4.60 115.26 115.14 3gbv n ASN 265 Ca 0.07 -2.27 0.07 0.00 -0.53 0.00 0.00 54.58 51.93 3gbv n ASN 265 Cb 0.30 -0.55 0.24 0.00 -2.08 0.00 0.00 39.78 37.69 3gbv n ASN 265 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3gbv n SER 266 N -2.70 3.10 -2.36 0.53 3.41 -1.26 -4.00 113.62 110.35 3gbv n SER 266 Ca 0.16 -2.16 -0.28 0.00 -0.26 0.00 0.00 58.87 56.33 3gbv n SER 266 Cb 0.58 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 3gbv n SER 266 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gbv n LYS 267 N 0.85 3.35 0.30 4.33 5.02 -1.26 -4.76 118.16 125.99 3gbv n LYS 267 Ca 0.18 -4.17 0.16 0.00 -2.02 0.00 0.00 58.31 52.45 3gbv n LYS 267 Cb 0.55 -2.27 0.94 0.00 -0.02 0.00 0.00 35.03 34.23 3gbv n LYS 267 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3gbv h VAL 268 N 2.24 0.45 -0.68 -0.18 3.04 -1.86 -1.97 116.25 117.29 3gbv h VAL 268 Ca 0.38 -0.07 0.16 0.00 -1.01 0.00 0.00 66.70 66.16 3gbv h VAL 268 Cb 1.02 1.05 -0.04 0.00 -2.01 0.00 0.00 31.29 31.31 3gbv h VAL 268 CO 0.95 0.02 0.47 0.10 -1.01 0.00 0.00 177.57 178.10 3gbv h TYR 269 N 0.00 0.24 -0.34 3.17 -0.00 -1.86 -0.47 116.97 117.72 3gbv h TYR 269 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 58.73 58.80 3gbv h TYR 269 Cb 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 36.73 36.65 3gbv h TYR 269 CO 0.00 0.09 -0.03 0.82 -0.00 0.00 0.00 178.16 179.04 3gbv h ILE 270 N 0.20 0.72 -0.13 -0.90 2.04 -1.75 0.66 117.51 118.36 3gbv h ILE 270 Ca 0.33 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.99 3gbv h ILE 270 Cb 1.01 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3gbv h ILE 270 CO -0.06 0.01 -0.65 0.40 0.00 0.00 0.00 178.15 177.85 3gbv h ILE 271 N 0.06 1.34 -0.09 -0.67 1.08 -1.34 -2.82 117.51 115.07 3gbv h ILE 271 Ca 0.16 -1.97 -0.01 0.00 -0.39 0.00 0.00 64.86 62.66 3gbv h ILE 271 Cb 0.23 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.92 3gbv h ILE 271 CO -0.30 0.60 0.03 1.23 -0.69 0.00 0.00 178.15 179.02 3gbv h GLY 272 N 1.13 0.15 1.51 5.37 0.00 0.01 -2.35 103.07 108.88 3gbv h GLY 272 Ca -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 3gbv h GLY 272 CO 0.12 0.08 -0.03 0.83 0.00 0.00 0.00 176.54 177.55 3gbv h GLU 273 N -0.05 0.61 -0.94 4.80 5.08 0.22 -0.96 114.58 123.34 3gbv h GLU 273 Ca 0.03 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3gbv h GLU 273 Cb 0.22 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3gbv h GLU 273 CO -0.00 0.65 0.62 -0.92 -1.00 0.00 0.00 179.01 178.36 3gbv h TYR 274 N 0.57 1.17 -0.16 4.33 3.20 -1.32 -0.34 116.97 124.43 3gbv h TYR 274 Ca 0.12 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.83 3gbv h TYR 274 Cb 0.41 -0.40 0.01 0.00 1.54 0.00 0.00 36.73 38.29 3gbv h TYR 274 CO 0.02 0.73 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.59 3gbv h LEU 275 N 1.26 0.80 -0.76 2.82 3.38 -0.97 -2.60 115.31 119.24 3gbv h LEU 275 Ca 0.35 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3gbv h LEU 275 Cb -0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 3gbv h LEU 275 CO -0.08 1.28 0.48 -0.61 0.09 0.00 0.00 178.44 179.60 3gbv h GLN 276 N 0.37 0.92 -0.27 1.13 5.75 -0.78 -0.62 115.11 121.61 3gbv h GLN 276 Ca -0.03 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.25 3gbv h GLN 276 Cb 1.24 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.58 3gbv h GLN 276 CO 0.13 0.61 -0.46 0.37 -2.65 0.00 0.00 178.83 176.83 3gbv h GLN 277 N 0.95 0.78 -0.66 1.69 4.15 -1.10 -3.02 115.11 117.90 3gbv h GLN 277 Ca 0.30 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 59.24 3gbv h GLN 277 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3gbv h GLN 277 CO -0.11 1.11 0.00 0.54 -1.93 0.00 0.00 178.83 178.45 3gbv n ARG 278 N -4.12 1.35 -1.69 1.69 5.12 -0.98 -4.84 116.66 113.18 3gbv n ARG 278 Ca -0.05 -0.33 -0.11 0.00 -1.93 0.00 0.00 57.85 55.43 3gbv n ARG 278 Cb 0.58 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.43 3gbv n ARG 278 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3gbv n ARG 279 N -0.04 -1.59 -2.74 5.56 1.74 -0.93 -4.89 116.66 113.77 3gbv n ARG 279 Ca 0.03 0.63 -0.43 0.00 -0.77 0.00 0.00 57.85 57.31 3gbv n ARG 279 Cb 0.26 -4.97 -0.03 0.00 -1.02 0.00 0.00 32.46 26.70 3gbv n ARG 279 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3gbv s LYS 280 N -3.64 3.40 -0.00 5.56 2.47 -0.28 -4.85 119.74 122.39 3gbv s LYS 280 Ca 0.00 -0.06 0.13 0.00 -1.56 0.00 0.00 55.97 54.48 3gbv s LYS 280 Cb 0.00 -4.04 0.38 0.00 -1.46 0.00 0.00 37.83 32.71 3gbv s LYS 280 CO 0.00 -1.56 1.32 -1.13 0.16 0.00 0.00 175.35 174.13 3gbv n SER 281 N 7.85 3.16 -2.60 1.43 3.41 -1.26 -4.52 113.62 121.09 3gbv n SER 281 Ca 0.04 -2.02 -0.35 0.00 -0.26 0.00 0.00 58.87 56.28 3gbv n SER 281 Cb 0.48 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 3gbv n SER 281 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gbv n ASP 282 N 0.72 6.92 -3.55 4.04 2.03 -1.26 -4.88 116.55 120.57 3gbv n ASP 282 Ca 0.14 -3.80 -0.01 0.00 0.52 0.00 0.00 54.79 51.65 3gbv n ASP 282 Cb 0.48 -0.88 -0.05 0.00 -0.72 0.00 0.00 41.12 39.94 3gbv n ASP 282 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3gbv s PHE 283 N -3.88 -0.69 0.06 -0.67 5.36 -1.26 -4.73 117.98 112.17 3gbv s PHE 283 Ca 0.55 1.29 0.08 0.00 -0.96 0.00 0.00 56.93 57.89 3gbv s PHE 283 Cb 0.45 0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 43.52 3gbv s PHE 283 CO -0.22 -0.34 -0.22 -1.54 -1.46 0.00 0.00 175.22 171.44 3gbv s SER 284 N 1.90 2.63 0.23 6.13 1.04 -0.94 -4.88 113.70 119.81 3gbv s SER 284 Ca -0.06 -0.57 0.08 0.00 0.48 0.00 0.00 55.95 55.88 3gbv s SER 284 Cb -0.05 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 3gbv s SER 284 CO -0.16 0.16 0.02 -0.76 0.98 0.00 0.00 173.24 173.48 3gbv s LEU 285 N -1.36 3.32 -0.07 2.42 2.01 -0.82 -2.56 118.68 121.63 3gbv s LEU 285 Ca 0.08 -0.50 0.04 0.00 0.01 0.00 0.00 54.13 53.77 3gbv s LEU 285 Cb -0.09 -1.90 -0.01 0.00 0.01 0.00 0.00 46.19 44.20 3gbv s LEU 285 CO 0.02 0.03 -0.20 -0.63 1.01 0.00 0.00 176.35 176.58 3gbv s ILE 286 N -2.06 2.47 0.20 -0.59 1.01 -0.86 -0.03 121.20 121.33 3gbv s ILE 286 Ca 0.30 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3gbv s ILE 286 Cb -0.08 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3gbv s ILE 286 CO 0.20 0.57 0.18 0.61 0.00 0.00 0.00 174.94 176.50 3gbv n GLY 287 N 2.95 3.26 3.30 6.18 0.00 -0.56 -2.65 105.19 117.67 3gbv n GLY 287 Ca -0.18 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 3gbv n GLY 287 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbv s TYR 288 N -2.92 2.03 0.23 1.61 2.02 -1.26 -0.65 117.35 118.41 3gbv s TYR 288 Ca 0.23 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3gbv s TYR 288 Cb 0.01 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.38 3gbv s TYR 288 CO 0.16 0.14 0.00 -0.25 -1.57 0.00 0.00 175.55 174.03 3gbv n ASP 289 N 1.63 -3.30 -2.31 2.29 8.00 0.78 -4.52 116.55 119.13 3gbv n ASP 289 Ca -0.17 0.73 -0.24 0.00 0.71 0.00 0.00 54.79 55.81 3gbv n ASP 289 Cb 0.53 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.22 3gbv n ASP 289 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gbv n LEU 290 N -1.95 6.53 -4.77 0.64 4.32 -1.26 -4.76 117.00 115.74 3gbv n LEU 290 Ca -0.00 -3.85 -0.40 0.00 -0.02 0.00 0.00 56.01 51.74 3gbv n LEU 290 Cb 0.19 -1.17 -0.01 0.00 -1.62 0.00 0.00 43.42 40.81 3gbv n LEU 290 CO 0.00 1.57 0.99 -0.76 -1.22 0.00 0.00 177.39 177.98 3gbv s LEU 291 N -2.15 4.28 0.19 2.23 1.02 -1.26 -4.77 118.68 118.22 3gbv s LEU 291 Ca 0.51 2.73 -0.24 0.00 0.02 0.00 0.00 54.13 57.15 3gbv s LEU 291 Cb 0.35 -3.81 0.09 0.00 0.02 0.00 0.00 46.19 42.84 3gbv s LEU 291 CO -0.15 -0.78 1.56 -0.08 0.02 0.00 0.00 176.35 176.91 3gbv h GLU 292 N 2.89 -0.11 -0.39 1.70 4.81 -1.93 0.31 114.58 121.86 3gbv h GLU 292 Ca -0.50 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3gbv h GLU 292 Cb 1.24 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3gbv h GLU 292 CO 0.63 -0.07 0.26 0.00 -0.73 0.00 0.00 179.01 179.11 3gbv h ARG 293 N -0.11 0.46 -0.07 1.92 3.08 -1.93 -1.36 114.38 116.37 3gbv h ARG 293 Ca 0.23 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3gbv h ARG 293 Cb 0.55 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3gbv h ARG 293 CO -0.83 0.31 0.02 -0.91 -1.07 0.00 0.00 179.97 177.49 3gbv h ASN 294 N 0.48 0.10 -0.64 7.04 4.21 -0.78 -2.36 115.58 123.63 3gbv h ASN 294 Ca 0.15 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 3gbv h ASN 294 Cb 0.03 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 3gbv h ASN 294 CO -0.03 0.26 0.38 0.58 -1.29 0.00 0.00 177.43 177.33 3gbv h VAL 295 N -0.06 1.19 -0.67 2.81 2.07 -0.59 -0.68 116.25 120.31 3gbv h VAL 295 Ca 0.02 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3gbv h VAL 295 Cb 0.20 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3gbv h VAL 295 CO -0.00 0.20 0.33 0.74 0.02 0.00 0.00 177.57 178.86 3gbv h THR 296 N 0.90 1.23 -0.04 2.57 2.02 -1.13 0.21 112.91 118.66 3gbv h THR 296 Ca 0.23 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 3gbv h THR 296 Cb -0.01 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3gbv h THR 296 CO -0.04 0.26 -0.35 0.00 0.37 0.00 0.00 175.52 175.76 3gbv h LEU 298 N 0.07 0.47 -0.94 0.00 5.85 -0.37 -1.16 115.31 119.23 3gbv h LEU 298 Ca 0.01 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.23 3gbv h LEU 298 Cb 0.65 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3gbv h LEU 298 CO 0.05 0.75 -0.50 0.11 -0.34 0.00 0.00 178.44 178.51 3gbv h LYS 299 N 0.18 0.00 0.00 1.25 1.57 -0.65 -2.89 116.57 116.03 3gbv h LYS 299 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gbv h LYS 299 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3gbv h LYS 299 CO 0.03 0.50 -0.13 0.93 -0.57 0.00 0.00 179.45 180.21 3gbv h GLU 300 N 0.00 0.00 0.00 3.15 5.08 -0.78 -3.48 114.58 118.55 3gbv h GLU 300 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gbv h GLU 300 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3gbv h GLU 300 CO 0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 3gbv n GLY 301 N 1.30 0.13 0.19 -3.84 0.00 -0.56 -4.94 105.19 97.47 3gbv n GLY 301 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3gbv n GLY 301 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gbv h THR 302 N 0.00 0.85 -3.29 2.61 1.35 -1.53 -3.41 112.91 109.49 3gbv h THR 302 Ca 0.00 -1.50 -0.66 0.00 -0.55 0.00 0.00 66.41 63.69 3gbv h THR 302 Cb 0.00 1.93 -0.30 0.00 -1.73 0.00 0.00 68.15 68.05 3gbv h THR 302 CO 0.00 0.36 -0.80 -0.69 -0.25 0.00 0.00 175.52 174.13 3gbv s VAL 303 N -3.60 2.67 -0.02 6.82 1.01 -0.85 -1.94 120.40 124.50 3gbv s VAL 303 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 3gbv s VAL 303 Cb 0.11 -2.12 -0.33 0.00 0.00 0.00 0.00 36.38 34.04 3gbv s VAL 303 CO 0.68 0.52 0.91 0.28 0.00 0.00 0.00 175.10 177.50 3gbv h SER 304 N 7.15 0.65 -4.99 3.32 0.02 -0.69 -3.38 113.55 115.64 3gbv h SER 304 Ca -0.30 -0.93 -0.16 0.00 -0.84 0.00 0.00 61.79 59.56 3gbv h SER 304 Cb 1.20 -0.21 -0.21 0.00 0.14 0.00 0.00 62.40 63.32 3gbv h SER 304 CO 0.56 1.57 -0.62 -0.36 -1.14 0.00 0.00 176.83 176.83 3gbv s PHE 305 N -2.51 0.19 -0.02 3.45 0.08 -1.22 -4.65 117.98 113.30 3gbv s PHE 305 Ca -0.12 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.58 3gbv s PHE 305 Cb 0.03 -0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.32 3gbv s PHE 305 CO 0.88 -0.23 -0.16 -0.51 -0.10 0.00 0.00 175.22 175.10 3gbv s LEU 306 N -1.48 2.01 -0.22 -0.37 1.43 -0.82 -1.49 118.68 117.75 3gbv s LEU 306 Ca -0.15 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3gbv s LEU 306 Cb -0.09 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 3gbv s LEU 306 CO -0.00 0.20 0.02 -0.63 0.23 0.00 0.00 176.35 176.16 3gbv s ILE 307 N -0.33 3.95 0.19 -0.59 1.01 0.18 -0.93 121.20 124.69 3gbv s ILE 307 Ca 0.05 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.47 3gbv s ILE 307 Cb -0.07 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3gbv s ILE 307 CO -0.00 0.39 0.06 0.00 0.00 0.00 0.00 174.94 175.39 3gbv s ALA 308 N 1.35 3.35 -0.04 9.38 0.00 0.21 -0.16 121.76 135.86 3gbv s ALA 308 Ca 0.04 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.69 3gbv s ALA 308 Cb -0.15 -1.11 0.09 0.00 0.00 0.00 0.00 23.12 21.95 3gbv s ALA 308 CO 0.01 0.43 0.94 0.00 0.00 0.00 0.00 175.76 177.14 3gbv n GLN 309 N -0.42 1.17 -3.49 0.00 10.64 -1.26 -2.14 117.38 121.88 3gbv n GLN 309 Ca -0.09 -1.50 -0.21 0.00 -1.83 0.00 0.00 57.00 53.37 3gbv n GLN 309 Cb 0.56 -0.93 0.03 0.00 -0.86 0.00 0.00 30.24 29.04 3gbv n GLN 309 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3gbv n GLN 310 N -0.56 -1.44 -0.33 2.61 6.02 -1.26 -4.77 117.38 117.65 3gbv n GLN 310 Ca 0.05 0.79 0.02 0.00 -0.01 0.00 0.00 57.00 57.84 3gbv n GLN 310 Cb 0.52 -4.49 0.16 0.00 1.02 0.00 0.00 30.24 27.45 3gbv n GLN 310 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3gbv h PRO 311 N -1.04 0.98 -0.62 -1.09 0.13 -1.95 -2.37 132.00 126.05 3gbv h PRO 311 Ca -0.51 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.61 3gbv h PRO 311 Cb 1.28 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 3gbv h PRO 311 CO 0.42 0.65 0.35 0.93 -0.23 0.00 0.00 178.00 180.12 3gbv h GLU 312 N 1.01 0.64 -0.38 0.86 3.07 -1.88 -1.59 114.58 116.32 3gbv h GLU 312 Ca 0.40 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.14 3gbv h GLU 312 Cb 0.21 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3gbv h GLU 312 CO -0.19 0.42 -0.13 1.25 -1.40 0.00 0.00 179.01 178.97 3gbv h LEU 313 N 0.66 0.66 -0.47 1.33 5.85 -1.78 -0.52 115.31 121.04 3gbv h LEU 313 Ca 0.27 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3gbv h LEU 313 Cb 0.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3gbv h LEU 313 CO -0.16 0.82 0.24 1.56 -0.34 0.00 0.00 178.44 180.57 3gbv h GLN 314 N 0.61 0.67 -0.31 1.25 4.20 -0.91 0.24 115.11 120.86 3gbv h GLN 314 Ca 0.10 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3gbv h GLN 314 Cb 0.58 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3gbv h GLN 314 CO 0.04 0.55 -0.07 0.78 -0.67 0.00 0.00 178.83 179.46 3gbv h GLY 315 N 0.62 0.64 0.78 3.46 0.00 -1.01 -2.27 103.07 105.31 3gbv h GLY 315 Ca 0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3gbv h GLY 315 CO -0.02 0.48 -0.08 -2.75 0.00 0.00 0.00 176.54 174.17 3gbv h PHE 316 N 0.37 -0.21 0.00 5.60 3.57 -0.93 -3.02 116.94 122.32 3gbv h PHE 316 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3gbv h PHE 316 Cb 0.55 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3gbv h PHE 316 CO 0.05 0.04 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.25 3gbv h ASN 317 N -0.45 0.00 -0.17 0.41 4.21 -0.58 0.32 115.58 119.33 3gbv h ASN 317 Ca -0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 3gbv h ASN 317 Cb 0.35 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 3gbv h ASN 317 CO 0.04 0.02 0.03 0.28 -1.29 0.00 0.00 177.43 176.50 3gbv h SER 318 N 0.00 0.27 -0.41 5.81 0.02 -1.28 0.80 113.55 118.75 3gbv h SER 318 Ca -0.00 -0.26 -0.13 0.00 -0.84 0.00 0.00 61.79 60.56 3gbv h SER 318 Cb 0.03 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3gbv h SER 318 CO 0.00 0.46 -0.23 0.40 -1.14 0.00 0.00 176.83 176.32 3gbv h ILE 319 N 0.06 1.28 -0.88 3.27 1.08 -1.31 -2.27 117.51 118.74 3gbv h ILE 319 Ca 0.05 -1.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.13 3gbv h ILE 319 Cb 0.31 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 3gbv h ILE 319 CO 0.00 0.47 0.52 0.50 -0.69 0.00 0.00 178.15 178.95 3gbv h LYS 320 N 0.71 1.20 -0.64 2.37 3.64 -0.86 -0.82 116.57 122.16 3gbv h LYS 320 Ca 0.09 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3gbv h LYS 320 Cb 0.80 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3gbv h LYS 320 CO 0.07 0.85 0.14 1.15 -2.27 0.00 0.00 179.45 179.39 3gbv h THR 321 N 1.21 1.26 -0.55 1.00 2.02 -0.68 0.33 112.91 117.50 3gbv h THR 321 Ca 0.31 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3gbv h THR 321 Cb -0.03 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3gbv h THR 321 CO -0.06 0.36 0.35 -0.07 0.37 0.00 0.00 175.52 176.47 3gbv h LEU 322 N 0.96 0.64 -0.41 2.58 3.38 -1.05 -0.41 115.31 121.00 3gbv h LEU 322 Ca 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3gbv h LEU 322 Cb 0.38 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3gbv h LEU 322 CO 0.00 0.49 0.13 0.00 0.09 0.00 0.00 178.44 179.15 3gbv h ASP 324 N 0.51 0.83 0.00 0.00 3.32 -0.03 0.13 116.42 121.19 3gbv h ASP 324 Ca 0.13 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3gbv h ASP 324 Cb 0.26 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.63 3gbv h ASP 324 CO -0.00 0.57 -0.23 -0.74 -1.72 0.00 0.00 179.24 177.11 3gbv h HIS 325 N 0.97 0.23 0.12 4.55 2.76 -0.82 0.23 115.15 123.19 3gbv h HIS 325 Ca 0.31 -0.13 -0.19 0.00 -2.20 0.00 0.00 60.37 58.16 3gbv h HIS 325 Cb 0.00 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 28.95 3gbv h HIS 325 CO -0.03 0.95 -0.89 -0.07 -1.30 0.00 0.00 177.93 176.59 3gbv h LEU 326 N -0.56 0.38 0.00 0.26 4.07 -0.76 -3.24 115.31 115.47 3gbv h LEU 326 Ca -0.03 -0.92 -0.05 0.00 0.08 0.00 0.00 57.88 56.97 3gbv h LEU 326 Cb 1.01 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 3gbv h LEU 326 CO 0.05 1.41 -0.41 0.40 -1.08 0.00 0.00 178.44 178.80 3gbv h ILE 327 N -0.45 0.48 0.00 1.22 2.04 -0.93 -3.38 117.51 116.50 3gbv h ILE 327 Ca -0.17 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.23 3gbv h ILE 327 Cb 1.59 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3gbv h ILE 327 CO 0.10 0.16 -0.07 0.49 0.00 0.00 0.00 178.15 178.83 3gbv n PHE 328 N -4.63 0.35 -3.45 1.37 3.72 -0.85 -4.93 117.46 109.04 3gbv n PHE 328 Ca -0.10 0.10 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 3gbv n PHE 328 Cb 0.30 -0.64 0.03 0.00 -0.94 0.00 0.00 39.48 38.23 3gbv n PHE 328 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3gbv n ARG 329 N -1.79 -5.02 -3.18 -1.08 5.12 -0.44 -4.97 116.66 105.31 3gbv n ARG 329 Ca 0.06 0.68 -0.27 0.00 -1.93 0.00 0.00 57.85 56.39 3gbv n ARG 329 Cb 0.38 -5.54 -0.02 0.00 -1.16 0.00 0.00 32.46 26.12 3gbv n ARG 329 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3gbv s LYS 330 N -6.14 3.59 0.49 5.56 1.02 0.69 -4.98 119.74 119.97 3gbv s LYS 330 Ca 0.47 -0.01 -0.18 0.00 0.02 0.00 0.00 55.97 56.27 3gbv s LYS 330 Cb -0.23 -2.58 -0.09 0.00 -0.52 0.00 0.00 37.83 34.41 3gbv s LYS 330 CO 0.59 0.10 0.98 -2.00 -0.92 0.00 0.00 175.35 174.09 3gbv s GLU 331 N -4.00 4.02 0.05 1.68 2.56 -1.26 -4.22 118.70 117.54 3gbv s GLU 331 Ca 0.44 1.04 0.02 0.00 0.00 0.00 0.00 54.97 56.46 3gbv s GLU 331 Cb -0.10 -2.15 -0.03 0.00 2.00 0.00 0.00 34.13 33.85 3gbv s GLU 331 CO 0.34 -0.21 -0.07 0.14 -0.56 0.00 0.00 175.26 174.91 3gbv s VAL 332 N -2.44 0.51 0.11 3.70 -7.23 -1.26 -4.97 120.40 108.82 3gbv s VAL 332 Ca 0.60 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 3gbv s VAL 332 Cb -0.10 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.90 3gbv s VAL 332 CO 0.25 -0.55 1.10 0.00 -0.31 0.00 0.00 175.10 175.59 3gbv s ALA 333 N -2.07 3.34 -0.05 1.32 0.00 -1.26 -4.97 121.76 118.07 3gbv s ALA 333 Ca -0.04 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 3gbv s ALA 333 Cb -0.05 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 3gbv s ALA 333 CO -0.02 -0.27 0.52 0.00 0.00 0.00 0.00 175.76 175.99 3gbv s THR 335 N -2.97 4.90 -0.55 0.00 2.01 -1.26 -0.32 115.64 117.45 3gbv s THR 335 Ca -0.07 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.47 3gbv s THR 335 Cb 0.01 -4.08 0.17 0.00 0.01 0.00 0.00 72.50 68.60 3gbv s THR 335 CO 0.21 0.01 0.40 0.20 -0.69 0.00 0.00 174.62 174.76 3gbv s ASN 336 N 1.23 3.19 0.71 3.53 0.01 -0.54 -4.96 114.94 118.11 3gbv s ASN 336 Ca 0.35 -3.40 0.00 0.00 -0.71 0.00 0.00 52.86 49.10 3gbv s ASN 336 Cb -0.16 -1.04 0.00 0.00 0.41 0.00 0.00 41.25 40.46 3gbv s ASN 336 CO 0.10 -0.14 0.00 -1.22 -1.51 0.00 0.00 177.10 174.33 3gbv n TYR 337 N 2.49 -2.14 -3.59 2.20 4.01 -1.26 -3.07 117.16 115.80 3gbv n TYR 337 Ca 0.23 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.77 3gbv n TYR 337 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 3gbv n TYR 337 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3gbv s PRO 339 N -2.12 2.85 -0.71 -0.72 0.04 -1.26 -4.90 135.00 128.18 3gbv s PRO 339 Ca 0.00 -1.22 0.01 0.00 0.04 0.00 0.00 61.00 59.84 3gbv s PRO 339 Cb 0.00 -2.61 0.18 0.00 0.04 0.00 0.00 34.50 32.10 3gbv s PRO 339 CO 0.00 0.02 0.53 0.42 0.04 0.00 0.00 177.00 178.01 3gbv s ILE 340 N -2.28 3.43 -0.06 0.56 1.01 -1.26 -4.53 121.20 118.07 3gbv s ILE 340 Ca 0.44 -3.74 -0.26 0.00 0.00 0.00 0.00 60.65 57.09 3gbv s ILE 340 Cb -0.07 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 3gbv s ILE 340 CO 0.29 -0.97 0.83 -1.81 0.00 0.00 0.00 174.94 173.28 3gbv s ASP 341 N -0.46 7.12 -0.25 3.58 1.01 -0.91 -4.92 116.67 121.84 3gbv s ASP 341 Ca 0.23 1.36 -0.11 0.00 0.71 0.00 0.00 52.55 54.74 3gbv s ASP 341 Cb -0.12 -2.48 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3gbv s ASP 341 CO -0.10 -0.23 0.17 -0.22 0.21 0.00 0.00 175.17 175.00 3gbv s LEU 342 N 1.15 4.08 -0.00 1.23 2.96 -1.26 -0.62 118.68 126.22 3gbv s LEU 342 Ca 0.43 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.47 3gbv s LEU 342 Cb -0.19 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 3gbv s LEU 342 CO 0.20 0.03 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.31 3gbv s LEU 343 N 1.29 2.47 0.38 -0.68 2.01 -0.10 -4.99 118.68 119.06 3gbv s LEU 343 Ca 0.07 -0.38 0.04 0.00 0.01 0.00 0.00 54.13 53.87 3gbv s LEU 343 Cb -0.14 -1.46 -0.03 0.00 0.01 0.00 0.00 46.19 44.56 3gbv s LEU 343 CO 0.07 0.30 0.12 0.42 1.01 0.00 0.00 176.35 178.27 3gbv s THR 344 N -0.78 0.65 0.37 5.49 -4.23 -1.26 -1.94 115.64 113.95 3gbv s THR 344 Ca 0.12 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 3gbv s THR 344 Cb -0.10 -2.44 0.20 0.00 1.34 0.00 0.00 72.50 71.49 3gbv s THR 344 CO 0.02 0.00 1.95 0.50 -0.54 0.00 0.00 174.62 176.55 3gbv h LYS 345 N 1.90 0.49 -0.00 3.99 3.64 -1.82 -2.19 116.57 122.58 3gbv h LYS 345 Ca -0.36 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3gbv h LYS 345 Cb 1.26 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3gbv h LYS 345 CO 0.58 0.46 -0.01 0.39 -2.27 0.00 0.00 179.45 178.60 3gbv n GLU 346 N -4.35 0.83 0.00 1.90 4.71 -1.26 -4.13 120.64 118.33 3gbv n GLU 346 Ca 0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 3gbv n GLU 346 Cb 0.18 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 3gbv n GLU 346 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 3gbv n ASN 347 N -1.04 0.04 -0.31 1.62 2.04 -1.11 -4.87 115.26 111.62 3gbv n ASN 347 Ca 0.20 -0.28 0.01 0.00 -0.44 0.00 0.00 54.58 54.07 3gbv n ASN 347 Cb 0.17 0.13 0.15 0.00 -2.53 0.00 0.00 39.78 37.70 3gbv n ASN 347 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 3gbv h ILE 348 N 0.18 1.03 -0.01 1.53 6.09 -1.55 -2.44 117.51 122.34 3gbv h ILE 348 Ca 0.00 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3gbv h ILE 348 Cb 0.09 -0.02 -0.00 0.00 0.47 0.00 0.00 36.82 37.36 3gbv h ILE 348 CO 0.00 0.18 0.01 0.44 -3.07 0.00 0.00 178.15 175.71 3gbv h ASP 349 N 0.96 0.00 -0.35 2.19 3.32 -1.86 -1.60 116.42 119.08 3gbv h ASP 349 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3gbv h ASP 349 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3gbv h ASP 349 CO -0.18 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.12 3gbv n TYR 350 N -3.50 0.45 -3.02 4.55 4.01 -0.93 -4.91 117.16 113.82 3gbv n TYR 350 Ca -0.03 -0.29 -0.42 0.00 -0.16 0.00 0.00 57.90 57.00 3gbv n TYR 350 Cb 0.09 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 3gbv n TYR 350 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3gbv s TYR 351 N -1.22 3.10 0.00 -0.72 5.04 -0.61 -5.16 117.35 117.78 3gbv s TYR 351 Ca 0.32 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 3gbv s TYR 351 Cb 0.18 -3.35 0.00 0.00 0.35 0.00 0.00 41.96 39.14 3gbv s TYR 351 CO 0.25 -0.75 0.00 0.72 -1.34 0.00 0.00 175.55 174.43