#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 1.66 -0.17 1.64 -2.85 -1.26 -5.11 119.74 113.65 3gbv s LYS 65 Ca 0.00 -0.98 -0.13 0.00 -1.00 0.00 0.00 55.97 53.86 3gbv s LYS 65 Cb 0.00 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.25 3gbv s LYS 65 CO 0.00 -0.77 0.26 0.71 0.10 0.00 0.00 175.35 175.65 3gbv s TYR 66 N -3.11 3.44 -0.15 1.78 2.02 -1.12 -5.02 117.35 115.18 3gbv s TYR 66 Ca 0.14 0.54 0.00 0.00 -0.37 0.00 0.00 57.07 57.38 3gbv s TYR 66 Cb -0.04 -2.32 0.02 0.00 -0.40 0.00 0.00 41.96 39.23 3gbv s TYR 66 CO 0.06 0.23 -0.15 0.99 -1.57 0.00 0.00 175.55 175.12 3gbv s THR 67 N 0.51 1.63 -0.28 -0.71 2.01 -1.26 -0.48 115.64 117.06 3gbv s THR 67 Ca 0.15 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 3gbv s THR 67 Cb -0.13 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.88 3gbv s THR 67 CO 0.03 0.46 0.04 -0.36 -0.69 0.00 0.00 174.62 174.10 3gbv s PHE 68 N 1.47 3.12 -0.17 4.92 0.08 -0.02 -1.31 117.98 126.07 3gbv s PHE 68 Ca 0.05 -1.12 -0.25 0.00 0.12 0.00 0.00 56.93 55.73 3gbv s PHE 68 Cb -0.13 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 3gbv s PHE 68 CO -0.11 -0.61 0.80 0.00 -0.10 0.00 0.00 175.22 175.20 3gbv s ALA 69 N 1.45 3.51 -0.33 5.36 0.00 0.09 -0.74 121.76 131.11 3gbv s ALA 69 Ca 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 3gbv s ALA 69 Cb -0.17 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3gbv s ALA 69 CO 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 175.76 175.22 3gbv s LEU 71 N 1.36 4.97 0.18 0.00 2.96 -1.26 -1.80 118.68 125.09 3gbv s LEU 71 Ca -0.03 -0.78 0.08 0.00 -0.22 0.00 0.00 54.13 53.18 3gbv s LEU 71 Cb -0.19 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3gbv s LEU 71 CO 0.02 -0.40 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.73 3gbv s LEU 72 N 1.69 2.49 0.30 -0.68 1.43 -1.01 -1.95 118.68 120.95 3gbv s LEU 72 Ca 0.05 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.93 3gbv s LEU 72 Cb -0.19 -0.71 -0.10 0.00 0.03 0.00 0.00 46.19 45.23 3gbv s LEU 72 CO 0.10 -0.12 1.37 -2.84 0.23 0.00 0.00 176.35 175.09 3gbv s PRO 73 N -3.22 4.30 0.53 1.29 0.02 -1.26 -1.76 135.00 134.90 3gbv s PRO 73 Ca 0.18 2.28 -0.21 0.00 0.02 0.00 0.00 61.00 63.27 3gbv s PRO 73 Cb -0.03 -3.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.35 3gbv s PRO 73 CO 0.06 -0.31 1.08 1.63 -0.33 0.00 0.00 177.00 179.13 3gbv n LYS 74 N 1.41 1.25 -3.82 5.54 5.02 -0.81 -4.73 118.16 122.02 3gbv n LYS 74 Ca 0.03 0.47 -0.06 0.00 -2.02 0.00 0.00 58.31 56.73 3gbv n LYS 74 Cb 0.41 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 3gbv n LYS 74 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3gbv s HIS 75 N -1.39 -0.03 0.03 2.13 -3.43 -1.26 -4.98 115.29 106.37 3gbv s HIS 75 Ca 0.71 -0.44 -0.00 0.00 -0.80 0.00 0.00 55.06 54.52 3gbv s HIS 75 Cb -0.46 0.73 -0.04 0.00 -1.43 0.00 0.00 32.58 31.38 3gbv s HIS 75 CO 0.51 -1.17 0.14 -0.51 -2.00 0.00 0.00 174.74 171.71 3gbv s LEU 76 N -3.07 4.13 0.17 5.38 1.43 -1.26 -5.04 118.68 120.42 3gbv s LEU 76 Ca 0.15 0.20 -0.34 0.00 -1.03 0.00 0.00 54.13 53.11 3gbv s LEU 76 Cb -0.04 -2.61 -0.14 0.00 0.03 0.00 0.00 46.19 43.43 3gbv s LEU 76 CO 0.07 0.22 1.53 1.21 0.23 0.00 0.00 176.35 179.60 3gbv n GLU 77 N 0.70 2.04 0.00 1.70 2.13 -1.26 -1.49 120.64 124.46 3gbv n GLU 77 Ca -0.09 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.46 3gbv n GLU 77 Cb 0.52 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.76 3gbv n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gbv n GLY 78 N 3.12 1.23 3.94 8.31 0.00 -1.26 -5.08 105.19 115.44 3gbv n GLY 78 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.74 0.68 0.23 1.61 2.02 -0.56 -4.47 118.70 117.48 3gbv s GLU 79 Ca 0.00 -0.48 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 3gbv s GLU 79 Cb 0.00 -1.88 0.34 0.00 0.10 0.00 0.00 34.13 32.69 3gbv s GLU 79 CO 0.00 -2.37 1.63 -0.92 0.02 0.00 0.00 175.26 173.62 3gbv h TYR 80 N -1.58 -0.20 0.00 1.61 3.20 -1.92 -2.43 116.97 115.66 3gbv h TYR 80 Ca -0.44 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3gbv h TYR 80 Cb 1.23 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.70 3gbv h TYR 80 CO -1.12 -0.26 0.00 -1.49 -1.64 0.00 0.00 178.16 173.65 3gbv h TRP 81 N 0.05 0.00 -0.73 -3.82 4.06 -1.92 -2.97 115.95 110.62 3gbv h TRP 81 Ca 0.36 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.37 3gbv h TRP 81 Cb 0.60 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.72 3gbv h TRP 81 CO -0.48 0.00 0.48 1.15 -3.56 0.00 0.00 178.44 176.03 3gbv h THR 82 N 0.00 1.03 -0.19 1.49 2.02 -1.76 -0.35 112.91 115.15 3gbv h THR 82 Ca 0.00 -0.27 -0.19 0.00 0.77 0.00 0.00 66.41 66.72 3gbv h THR 82 Cb 0.25 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3gbv h THR 82 CO 0.00 0.14 -0.62 0.44 0.37 0.00 0.00 175.52 175.85 3gbv h ASP 83 N 0.78 0.88 -0.75 4.18 3.32 -1.71 -1.89 116.42 121.22 3gbv h ASP 83 Ca 0.31 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3gbv h ASP 83 Cb 0.23 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3gbv h ASP 83 CO -0.10 1.32 0.44 0.58 -1.72 0.00 0.00 179.24 179.76 3gbv h VAL 84 N 0.49 1.22 -0.44 -1.35 2.07 -1.53 -0.81 116.25 115.89 3gbv h VAL 84 Ca -0.02 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 3gbv h VAL 84 Cb 1.25 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3gbv h VAL 84 CO 0.13 0.23 -0.20 1.56 0.02 0.00 0.00 177.57 179.31 3gbv h GLN 85 N 1.05 0.87 -0.57 1.57 4.20 -0.96 -1.44 115.11 119.84 3gbv h GLN 85 Ca 0.27 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3gbv h GLN 85 Cb -0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3gbv h GLN 85 CO -0.05 1.00 0.36 0.87 -0.67 0.00 0.00 178.83 180.34 3gbv h LYS 86 N 0.76 0.77 -0.31 1.46 1.57 -0.70 -0.59 116.57 119.53 3gbv h LYS 86 Ca 0.11 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3gbv h LYS 86 Cb 0.74 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3gbv h LYS 86 CO 0.06 0.54 -0.10 0.78 -0.57 0.00 0.00 179.45 180.15 3gbv h GLY 87 N 0.77 0.18 0.73 3.86 0.00 -0.66 0.91 103.07 108.87 3gbv h GLY 87 Ca 0.21 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.71 3gbv h GLY 87 CO -0.04 -0.14 0.29 -2.22 0.00 0.00 0.00 176.54 174.43 3gbv h ILE 88 N -0.04 0.97 -0.23 2.60 2.04 -0.72 -1.35 117.51 120.78 3gbv h ILE 88 Ca 0.15 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3gbv h ILE 88 Cb 0.27 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3gbv h ILE 88 CO -0.34 0.10 0.14 0.03 0.00 0.00 0.00 178.15 178.08 3gbv h ARG 89 N 0.56 0.32 -0.79 2.37 2.47 -0.10 -0.32 114.38 118.90 3gbv h ARG 89 Ca 0.24 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 59.00 3gbv h ARG 89 Cb 0.13 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.34 3gbv h ARG 89 CO -0.16 0.26 0.51 1.49 0.56 0.00 0.00 179.97 182.64 3gbv h GLU 90 N 0.28 0.79 -0.38 0.04 4.57 -0.47 -1.50 114.58 117.91 3gbv h GLU 90 Ca 0.08 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 3gbv h GLU 90 Cb 0.03 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 3gbv h GLU 90 CO -0.02 0.52 -0.36 0.00 -1.18 0.00 0.00 179.01 177.98 3gbv h ALA 91 N 1.58 0.64 -0.09 2.92 0.00 -0.52 -1.84 119.26 121.95 3gbv h ALA 91 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gbv h ALA 91 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gbv h ALA 91 CO -0.12 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.14 3gbv h VAL 92 N 0.73 1.04 -0.54 0.00 2.07 -0.10 -2.09 116.25 117.36 3gbv h VAL 92 Ca 0.07 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3gbv h VAL 92 Cb 0.94 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3gbv h VAL 92 CO 0.09 0.04 0.16 0.71 0.02 0.00 0.00 177.57 178.59 3gbv h THR 93 N 0.11 1.24 -0.98 2.57 1.35 -1.33 -1.51 112.91 114.35 3gbv h THR 93 Ca 0.03 -0.81 0.09 0.00 -0.55 0.00 0.00 66.41 65.18 3gbv h THR 93 Cb 0.01 0.73 -0.07 0.00 -1.73 0.00 0.00 68.15 67.09 3gbv h THR 93 CO -0.01 0.30 0.62 0.74 -0.25 0.00 0.00 175.52 176.93 3gbv h THR 94 N 0.76 1.00 -0.61 6.82 2.02 -1.14 -1.91 112.91 119.83 3gbv h THR 94 Ca 0.17 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 3gbv h THR 94 Cb 0.29 -0.13 -0.09 0.00 -1.74 0.00 0.00 68.15 66.48 3gbv h THR 94 CO -0.00 0.19 0.16 -1.22 0.37 0.00 0.00 175.52 175.02 3gbv n TYR 95 N -4.55 2.08 -0.08 3.16 4.01 -0.80 -4.57 117.16 116.41 3gbv n TYR 95 Ca 0.17 -1.12 0.22 0.00 -0.16 0.00 0.00 57.90 57.01 3gbv n TYR 95 Cb 0.28 -0.59 0.68 0.00 -0.31 0.00 0.00 39.34 39.39 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 2.62 0.05 -0.89 7.72 4.64 -0.43 -1.03 113.55 126.22 3gbv h SER 96 Ca 0.18 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.69 3gbv h SER 96 Cb 2.10 -0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 64.08 3gbv h SER 96 CO 0.60 0.03 0.44 0.44 -0.87 0.00 0.00 176.83 177.47 3gbv h ASP 97 N 0.06 0.48 -0.30 4.97 5.19 -1.83 0.48 116.42 125.48 3gbv h ASP 97 Ca 0.32 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 3gbv h ASP 97 Cb 1.21 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.77 3gbv h ASP 97 CO -0.02 0.13 0.00 0.49 -3.12 0.00 0.00 179.24 176.72 3gbv n PHE 98 N -4.93 0.47 -3.45 4.55 3.72 -0.39 -4.96 117.46 112.47 3gbv n PHE 98 Ca 0.20 -0.22 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 3gbv n PHE 98 Cb 0.56 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 39.09 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 0.38 -5.73 -4.40 4.37 3.02 0.17 -4.69 115.26 108.37 3gbv n ASN 99 Ca 0.10 -0.10 -0.27 0.00 -0.03 0.00 0.00 54.58 54.29 3gbv n ASN 99 Cb 0.31 -2.01 -0.12 0.00 -0.61 0.00 0.00 39.78 37.36 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 -1.58 2.24 -0.03 2.41 -4.36 -1.26 -2.80 121.20 115.82 3gbv s ILE 100 Ca 0.37 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 3gbv s ILE 100 Cb -0.04 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.65 3gbv s ILE 100 CO 0.87 -0.09 -0.01 -0.94 0.24 0.00 0.00 174.94 175.01 3gbv s SER 101 N -2.49 0.49 -0.33 4.36 1.04 0.37 -4.91 113.70 112.23 3gbv s SER 101 Ca 0.18 -0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.42 3gbv s SER 101 Cb -0.08 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 3gbv s SER 101 CO 0.08 -0.06 0.31 0.00 0.98 0.00 0.00 173.24 174.55 3gbv s ALA 102 N 0.77 3.51 -0.55 5.32 0.00 -1.26 -0.84 121.76 128.71 3gbv s ALA 102 Ca -0.08 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 3gbv s ALA 102 Cb -0.11 -2.73 0.12 0.00 0.00 0.00 0.00 23.12 20.40 3gbv s ALA 102 CO -0.01 -0.95 0.54 1.21 0.00 0.00 0.00 175.76 176.55 3gbv s ASN 103 N 1.73 6.19 -0.12 0.00 2.47 0.08 -4.95 114.94 120.33 3gbv s ASN 103 Ca 0.10 -1.69 -0.25 0.00 0.42 0.00 0.00 52.86 51.44 3gbv s ASN 103 Cb -0.17 -2.23 -0.02 0.00 -1.45 0.00 0.00 41.25 37.38 3gbv s ASN 103 CO 0.11 -0.91 0.78 -0.63 -3.72 0.00 0.00 177.10 172.73 3gbv s ILE 104 N 1.86 4.95 0.00 -5.21 1.01 -1.26 -1.25 121.20 121.30 3gbv s ILE 104 Ca 0.05 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.31 3gbv s ILE 104 Cb -0.28 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 3gbv s ILE 104 CO 0.04 0.12 -0.12 0.42 0.00 0.00 0.00 174.94 175.39 3gbv s THR 105 N 1.60 0.96 0.08 2.92 -4.23 -0.75 -4.96 115.64 111.26 3gbv s THR 105 Ca 0.38 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 3gbv s THR 105 Cb -0.17 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 3gbv s THR 105 CO 0.15 0.20 0.15 -1.00 -0.54 0.00 0.00 174.62 173.59 3gbv s HIS 106 N -0.41 3.35 0.11 3.99 3.76 -1.26 -2.40 115.29 122.44 3gbv s HIS 106 Ca 0.04 0.15 0.05 0.00 -0.15 0.00 0.00 55.06 55.15 3gbv s HIS 106 Cb -0.05 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 3gbv s HIS 106 CO -0.00 0.55 -0.12 1.52 -0.85 0.00 0.00 174.74 175.84 3gbv s TYR 107 N -1.48 1.24 -0.29 1.40 -0.85 -0.72 -4.82 117.35 111.83 3gbv s TYR 107 Ca 0.32 -0.60 -0.27 0.00 -0.52 0.00 0.00 57.07 56.00 3gbv s TYR 107 Cb -0.12 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.57 3gbv s TYR 107 CO 0.25 0.08 0.97 0.34 -1.52 0.00 0.00 175.55 175.67 3gbv s ASP 108 N -2.47 6.89 0.44 -0.18 -1.08 -1.26 -1.93 116.67 117.09 3gbv s ASP 108 Ca 0.07 1.02 0.28 0.00 -0.52 0.00 0.00 52.55 53.40 3gbv s ASP 108 Cb -0.04 -2.50 0.93 0.00 -1.46 0.00 0.00 42.92 39.86 3gbv s ASP 108 CO 0.02 -0.73 1.81 -0.65 0.52 0.00 0.00 175.17 176.13 3gbv h PRO 109 N 7.93 0.00 -0.10 4.34 0.11 -1.96 -3.32 132.00 139.00 3gbv h PRO 109 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3gbv h PRO 109 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gbv h PRO 109 CO 0.97 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 3gbv n TYR 110 N -2.90 0.13 -3.70 0.65 4.02 -1.26 -4.46 117.16 109.64 3gbv n TYR 110 Ca 0.02 -0.21 -0.38 0.00 -0.01 0.00 0.00 57.90 57.33 3gbv n TYR 110 Cb 0.38 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.59 3gbv n TYR 110 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gbv s ASP 111 N -0.77 5.39 0.13 7.72 -1.08 -1.25 -4.98 116.67 121.83 3gbv s ASP 111 Ca 0.11 -2.33 -0.29 0.00 -0.52 0.00 0.00 52.55 49.53 3gbv s ASP 111 Cb 0.07 -1.89 -0.05 0.00 -1.46 0.00 0.00 42.92 39.59 3gbv s ASP 111 CO 0.10 -0.51 1.58 0.22 0.52 0.00 0.00 175.17 177.08 3gbv h TYR 112 N 7.76 -1.22 -0.83 -5.34 3.20 -1.88 0.26 116.97 118.92 3gbv h TYR 112 Ca -0.10 0.05 0.10 0.00 3.14 0.00 0.00 58.73 61.93 3gbv h TYR 112 Cb 1.02 0.56 -0.06 0.00 1.54 0.00 0.00 36.73 39.79 3gbv h TYR 112 CO 0.64 -0.47 0.54 -0.91 -1.64 0.00 0.00 178.16 176.32 3gbv h ASN 113 N -0.47 0.68 -0.01 -2.11 2.35 -1.97 0.46 115.58 114.51 3gbv h ASN 113 Ca 0.08 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3gbv h ASN 113 Cb 0.62 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 3gbv h ASN 113 CO -0.42 0.39 -0.01 -1.28 -1.65 0.00 0.00 177.43 174.47 3gbv h SER 114 N 0.75 0.02 -0.85 5.81 0.87 -1.59 -2.25 113.55 116.31 3gbv h SER 114 Ca 0.39 -0.47 0.08 0.00 -1.23 0.00 0.00 61.79 60.55 3gbv h SER 114 Cb 0.49 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 3gbv h SER 114 CO -0.16 0.49 0.51 0.15 -0.53 0.00 0.00 176.83 177.29 3gbv h PHE 115 N -0.45 0.93 -0.16 2.24 3.57 0.12 -1.26 116.94 121.94 3gbv h PHE 115 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3gbv h PHE 115 Cb 0.48 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3gbv h PHE 115 CO 0.09 0.43 0.09 0.28 -2.23 0.00 0.00 178.31 176.97 3gbv h VAL 116 N 0.89 1.09 -0.53 1.41 2.07 -0.92 0.10 116.25 120.37 3gbv h VAL 116 Ca 0.39 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.73 3gbv h VAL 116 Cb 0.27 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3gbv h VAL 116 CO -0.21 0.08 0.26 0.00 0.02 0.00 0.00 177.57 177.72 3gbv h ALA 117 N 1.00 0.68 -0.27 1.67 0.00 -0.74 0.26 119.26 121.86 3gbv h ALA 117 Ca 0.06 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3gbv h ALA 117 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gbv h ALA 117 CO -0.01 -0.09 -0.50 1.79 0.00 0.00 0.00 179.25 180.44 3gbv h THR 118 N 0.51 1.29 -0.73 0.00 1.35 -1.08 -1.71 112.91 112.53 3gbv h THR 118 Ca 0.24 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.35 3gbv h THR 118 Cb 0.15 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 3gbv h THR 118 CO -0.17 0.55 0.26 0.77 -0.25 0.00 0.00 175.52 176.67 3gbv h SER 119 N 0.57 1.04 -0.79 5.36 4.64 -0.48 -0.25 113.55 123.65 3gbv h SER 119 Ca 0.01 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 3gbv h SER 119 Cb 1.11 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.89 3gbv h SER 119 CO 0.11 0.96 0.33 -0.61 -0.87 0.00 0.00 176.83 176.75 3gbv h GLN 120 N 1.07 1.17 -0.90 4.77 5.75 -0.46 -0.12 115.11 126.40 3gbv h GLN 120 Ca 0.24 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3gbv h GLN 120 Cb 0.27 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 3gbv h GLN 120 CO -0.01 0.94 0.49 0.00 -2.65 0.00 0.00 178.83 177.60 3gbv h ALA 121 N 1.17 1.16 -0.12 3.38 0.00 -0.49 0.22 119.26 124.59 3gbv h ALA 121 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gbv h ALA 121 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gbv h ALA 121 CO -0.02 0.67 0.04 0.28 0.00 0.00 0.00 179.25 180.21 3gbv h VAL 122 N 1.26 1.17 -0.95 0.00 2.07 -0.34 -2.15 116.25 117.32 3gbv h VAL 122 Ca 0.32 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3gbv h VAL 122 Cb 0.03 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3gbv h VAL 122 CO -0.05 0.16 0.63 0.40 0.02 0.00 0.00 177.57 178.72 3gbv h ILE 123 N 0.01 1.25 0.00 4.57 2.04 -0.65 -1.35 117.51 123.38 3gbv h ILE 123 Ca 0.04 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3gbv h ILE 123 Cb 0.21 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3gbv h ILE 123 CO -0.00 0.24 0.00 -0.62 0.00 0.00 0.00 178.15 177.77 3gbv n GLU 124 N -4.39 0.45 0.00 2.37 1.02 0.75 -1.91 120.64 118.93 3gbv n GLU 124 Ca 0.11 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.43 3gbv n GLU 124 Cb 0.02 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.17 0.54 -3.55 3.49 1.02 -0.51 -4.98 120.64 115.47 3gbv n GLU 125 Ca 0.12 -0.30 -0.23 0.00 -0.02 0.00 0.00 57.16 56.73 3gbv n GLU 125 Cb 0.13 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.11 3gbv n GLU 125 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3gbv n GLN 126 N -0.97 -2.71 -2.24 3.49 6.02 -0.80 -4.97 117.38 115.21 3gbv n GLN 126 Ca 0.10 0.64 -0.32 0.00 -0.01 0.00 0.00 57.00 57.40 3gbv n GLN 126 Cb 0.34 -4.98 -0.02 0.00 1.02 0.00 0.00 30.24 26.60 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 -5.49 3.70 0.11 -1.09 0.04 -1.26 -4.97 135.00 126.03 3gbv s PRO 127 Ca 0.32 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 3gbv s PRO 127 Cb -0.08 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 3gbv s PRO 127 CO 0.81 -0.49 1.32 -0.44 0.04 0.00 0.00 177.00 178.24 3gbv h ASP 128 N 0.68 0.95 -5.21 6.66 3.32 -1.58 -3.47 116.42 117.77 3gbv h ASP 128 Ca -0.47 -0.61 -0.10 0.00 0.02 0.00 0.00 57.03 55.88 3gbv h ASP 128 Cb 1.20 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 3gbv h ASP 128 CO 0.60 1.41 -0.38 -0.83 -1.72 0.00 0.00 179.24 178.32 3gbv s GLY 129 N -4.10 0.29 0.01 2.75 0.00 -1.17 -4.26 107.32 100.84 3gbv s GLY 129 Ca -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3gbv s GLY 129 CO 0.90 -0.87 0.01 -0.62 0.00 0.00 0.00 173.10 172.52 3gbv n VAL 130 N -0.11 0.00 0.00 1.40 0.31 -0.69 -0.73 118.33 118.51 3gbv n VAL 130 Ca -0.12 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3gbv n VAL 130 Cb 0.63 0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 3gbv n VAL 130 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3gbv n PHE 132 N -0.02 0.00 -3.49 3.52 7.35 0.22 0.50 117.46 125.54 3gbv n PHE 132 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3gbv n PHE 132 Cb 0.02 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.76 3gbv n PHE 132 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gbv s ALA 133 N -0.26 3.43 0.31 3.13 0.00 -0.82 -2.24 121.76 125.30 3gbv s ALA 133 Ca 0.00 -1.99 -0.28 0.00 0.00 0.00 0.00 51.96 49.69 3gbv s ALA 133 Cb 0.00 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 3gbv s ALA 133 CO 0.00 -1.61 1.06 -2.14 0.00 0.00 0.00 175.76 173.07 3gbv s PRO 134 N 1.58 4.54 0.00 0.00 0.02 -1.26 -4.60 135.00 135.28 3gbv s PRO 134 Ca 0.04 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.73 3gbv s PRO 134 Cb -0.22 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3gbv s PRO 134 CO 0.06 0.16 0.00 2.41 -0.33 0.00 0.00 177.00 179.30 3gbv n THR 135 N 0.87 0.00 -3.31 0.99 -1.04 -1.26 -4.67 114.28 105.87 3gbv n THR 135 Ca 0.00 0.07 -0.46 0.00 -2.04 0.00 0.00 64.05 61.62 3gbv n THR 135 Cb 0.46 -1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 67.93 3gbv n THR 135 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3gbv s VAL 136 N -0.86 5.28 0.50 12.58 1.01 -1.26 -2.72 120.40 134.93 3gbv s VAL 136 Ca 0.00 -1.70 0.16 0.00 0.00 0.00 0.00 61.98 60.45 3gbv s VAL 136 Cb 0.00 -4.38 0.30 0.00 0.00 0.00 0.00 36.38 32.31 3gbv s VAL 136 CO 0.00 -0.92 2.08 1.55 0.00 0.00 0.00 175.10 177.82 3gbv h PRO 137 N 8.65 0.12 0.00 2.72 0.13 -1.96 -2.65 132.00 139.01 3gbv h PRO 137 Ca -0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3gbv h PRO 137 Cb 1.09 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3gbv h PRO 137 CO 0.98 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 3gbv n GLN 138 N -4.49 0.32 -0.02 0.86 0.00 -1.26 -1.19 117.38 111.59 3gbv n GLN 138 Ca 0.02 0.05 0.09 0.00 0.00 0.00 0.00 57.00 57.15 3gbv n GLN 138 Cb 0.23 -1.50 0.09 0.00 0.00 0.00 0.00 30.24 29.06 3gbv n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3gbv n TYR 139 N -1.07 0.06 0.08 2.61 4.01 -1.00 -4.68 117.16 117.17 3gbv n TYR 139 Ca 0.08 -0.04 0.10 0.00 -0.16 0.00 0.00 57.90 57.88 3gbv n TYR 139 Cb 0.05 -0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.93 3gbv n TYR 139 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3gbv n THR 140 N 0.99 0.00 -0.30 -0.72 -2.24 -0.34 -4.60 114.28 107.06 3gbv n THR 140 Ca 0.11 -0.42 0.14 0.00 -2.27 0.00 0.00 64.05 61.61 3gbv n THR 140 Cb 0.44 0.13 0.30 0.00 -2.10 0.00 0.00 70.33 69.10 3gbv n THR 140 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gbv h LYS 141 N 0.00 0.17 -0.85 -0.78 3.64 -1.84 0.23 116.57 117.15 3gbv h LYS 141 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3gbv h LYS 141 Cb 0.88 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 3gbv h LYS 141 CO 0.00 0.11 0.55 0.78 -2.27 0.00 0.00 179.45 178.62 3gbv h GLY 142 N 0.18 1.21 0.83 5.01 0.00 -1.95 -0.56 103.07 107.78 3gbv h GLY 142 Ca 0.57 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3gbv h GLY 142 CO -0.69 0.46 -0.24 -2.75 0.00 0.00 0.00 176.54 173.32 3gbv h PHE 143 N 1.16 -0.63 -0.38 5.60 3.57 -0.86 -2.09 116.94 123.31 3gbv h PHE 143 Ca 0.31 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 3gbv h PHE 143 Cb -0.11 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3gbv h PHE 143 CO -0.01 -0.32 0.05 1.79 -2.23 0.00 0.00 178.31 177.59 3gbv h THR 144 N -0.86 1.19 -0.63 4.41 1.35 -1.32 -1.07 112.91 115.97 3gbv h THR 144 Ca -0.07 -0.73 -0.09 0.00 -0.55 0.00 0.00 66.41 64.98 3gbv h THR 144 Cb 0.59 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 3gbv h THR 144 CO 0.11 0.26 0.05 0.44 -0.25 0.00 0.00 175.52 176.13 3gbv h ASP 145 N 0.55 1.05 -0.22 5.36 3.32 -1.09 -1.36 116.42 124.03 3gbv h ASP 145 Ca 0.12 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 3gbv h ASP 145 Cb 0.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3gbv h ASP 145 CO 0.00 1.06 -0.20 0.00 -1.72 0.00 0.00 179.24 178.38 3gbv h ALA 146 N 1.05 0.99 -0.26 3.45 0.00 -0.79 0.21 119.26 123.90 3gbv h ALA 146 Ca 0.19 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3gbv h ALA 146 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gbv h ALA 146 CO 0.02 0.60 -0.19 -0.07 0.00 0.00 0.00 179.25 179.61 3gbv h LEU 147 N 0.59 0.62 -0.23 0.00 3.38 -0.96 -1.75 115.31 116.97 3gbv h LEU 147 Ca 0.09 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3gbv h LEU 147 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3gbv h LEU 147 CO 0.05 0.93 0.09 0.78 0.09 0.00 0.00 178.44 180.38 3gbv h ASN 148 N 0.31 0.32 -0.69 -0.43 2.35 -1.12 0.11 115.58 116.43 3gbv h ASN 148 Ca 0.05 -0.17 0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3gbv h ASN 148 Cb 0.73 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3gbv h ASN 148 CO 0.05 0.40 0.46 -0.08 -1.65 0.00 0.00 177.43 176.61 3gbv h GLU 149 N 0.21 0.53 -0.01 0.81 4.81 -0.91 0.51 114.58 120.52 3gbv h GLU 149 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gbv h GLU 149 Cb 0.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3gbv h GLU 149 CO -0.01 0.35 -0.18 1.28 -0.73 0.00 0.00 179.01 179.73 3gbv n LEU 150 N -4.48 0.89 -0.90 1.64 4.77 -0.66 -4.93 117.00 113.33 3gbv n LEU 150 Ca 0.11 -0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 3gbv n LEU 150 Cb 0.36 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3gbv n LEU 150 CO 0.33 0.16 -0.10 0.61 -1.33 0.00 0.00 177.39 177.06 3gbv n GLY 151 N 1.30 0.32 3.44 -0.72 0.00 0.17 -4.99 105.19 104.70 3gbv n GLY 151 Ca 0.14 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.40 5.07 0.40 -0.61 1.01 0.26 -5.02 121.20 119.92 3gbv s ILE 152 Ca 0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.75 3gbv s ILE 152 Cb 0.00 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 3gbv s ILE 152 CO 0.00 -0.59 1.42 -2.16 0.00 0.00 0.00 174.94 173.61 3gbv s PRO 153 N 2.12 3.96 0.05 2.79 0.04 -1.26 -4.47 135.00 138.23 3gbv s PRO 153 Ca 0.10 2.43 0.03 0.00 0.04 0.00 0.00 61.00 63.60 3gbv s PRO 153 Cb -0.20 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 3gbv s PRO 153 CO 0.11 -0.60 -0.09 1.52 0.04 0.00 0.00 177.00 177.98 3gbv s TYR 154 N -1.17 0.78 -0.09 0.56 -0.85 -1.26 -1.70 117.35 113.63 3gbv s TYR 154 Ca 0.56 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.67 3gbv s TYR 154 Cb -0.44 -0.46 -0.01 0.00 0.38 0.00 0.00 41.96 41.43 3gbv s TYR 154 CO 0.58 -0.05 -0.19 0.42 -1.52 0.00 0.00 175.55 174.79 3gbv s ILE 155 N -1.28 2.57 0.00 -3.49 1.01 0.18 -0.70 121.20 119.50 3gbv s ILE 155 Ca -0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 3gbv s ILE 155 Cb -0.10 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 3gbv s ILE 155 CO 0.01 0.56 0.34 -0.31 0.00 0.00 0.00 174.94 175.54 3gbv s TYR 156 N -0.00 3.65 0.05 3.97 2.02 -0.09 0.72 117.35 127.66 3gbv s TYR 156 Ca -0.06 0.81 0.05 0.00 -0.37 0.00 0.00 57.07 57.50 3gbv s TYR 156 Cb -0.15 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 3gbv s TYR 156 CO 0.05 0.63 -0.15 0.96 -1.57 0.00 0.00 175.55 175.46 3gbv s ILE 157 N -1.18 1.20 0.00 2.71 -4.36 -0.95 -1.35 121.20 117.27 3gbv s ILE 157 Ca 0.25 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 3gbv s ILE 157 Cb -0.15 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.48 3gbv s ILE 157 CO 0.13 -0.01 0.00 -0.67 0.24 0.00 0.00 174.94 174.63 3gbv n ASP 158 N 1.77 0.00 -4.45 4.36 2.03 0.56 -4.22 116.55 116.59 3gbv n ASP 158 Ca -0.18 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.83 3gbv n ASP 158 Cb 0.54 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.82 3gbv n ASP 158 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3gbv s SER 159 N 0.00 3.75 0.25 1.67 0.01 -1.26 -4.52 113.70 113.59 3gbv s SER 159 Ca 0.00 -0.51 0.06 0.00 1.31 0.00 0.00 55.95 56.81 3gbv s SER 159 Cb 0.00 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 3gbv s SER 159 CO 0.00 0.22 0.33 -1.10 0.41 0.00 0.00 173.24 173.10 3gbv s GLN 160 N -1.72 3.27 -0.46 12.44 -0.21 -1.26 -4.65 119.66 127.07 3gbv s GLN 160 Ca 0.16 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.69 3gbv s GLN 160 Cb -0.10 -2.79 0.15 0.00 1.00 0.00 0.00 33.01 31.26 3gbv s GLN 160 CO 0.07 0.39 0.28 0.42 -2.12 0.00 0.00 175.29 174.33 3gbv s ILE 161 N -2.04 1.28 0.30 1.08 1.01 -1.26 -4.87 121.20 116.69 3gbv s ILE 161 Ca 0.35 -2.69 0.01 0.00 0.00 0.00 0.00 60.65 58.32 3gbv s ILE 161 Cb -0.09 -1.88 0.38 0.00 0.01 0.00 0.00 42.46 40.88 3gbv s ILE 161 CO 0.28 -0.97 1.59 0.11 0.00 0.00 0.00 174.94 175.94 3gbv h LYS 162 N 6.42 0.04 0.00 2.79 1.79 -2.01 0.19 116.57 125.79 3gbv h LYS 162 Ca 0.06 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3gbv h LYS 162 Cb 0.91 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 3gbv h LYS 162 CO 0.47 0.03 0.00 -0.40 -1.08 0.00 0.00 179.45 178.47 3gbv n ASP 163 N -5.44 0.00 -3.08 0.86 5.75 -1.26 -3.89 116.55 109.49 3gbv n ASP 163 Ca 0.22 -0.93 -0.19 0.00 -0.01 0.00 0.00 54.79 53.88 3gbv n ASP 163 Cb 0.72 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.78 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 -0.87 1.44 -1.63 2.12 0.00 0.65 -5.13 120.51 117.09 3gbv n ALA 164 Ca 0.13 -2.91 -0.46 0.00 0.00 0.00 0.00 53.44 50.19 3gbv n ALA 164 Cb 0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 1.16 1.64 -1.16 0.00 -0.04 -1.24 -4.73 135.00 130.64 3gbv n PRO 165 Ca 0.19 0.58 -0.06 0.00 -0.04 0.00 0.00 63.50 64.17 3gbv n PRO 165 Cb 0.59 -2.15 0.03 0.00 -0.04 0.00 0.00 33.50 31.92 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 1.77 0.51 0.07 0.54 -0.04 -1.26 -5.01 135.00 131.58 3gbv n PRO 166 Ca 0.13 -0.69 -0.19 0.00 -0.04 0.00 0.00 63.50 62.71 3gbv n PRO 166 Cb 0.29 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.50 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 0.77 -7.12 1.53 5.85 -1.29 -3.47 115.31 111.58 3gbv h LEU 167 Ca -0.08 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 57.93 3gbv h LEU 167 Cb 0.30 -0.24 -0.15 0.00 0.37 0.00 0.00 40.66 40.94 3gbv h LEU 167 CO 0.09 1.47 0.11 0.00 -0.34 0.00 0.00 178.44 179.77 3gbv s ALA 168 N -3.14 -1.47 -0.01 1.25 0.00 -1.25 -4.21 121.76 112.93 3gbv s ALA 168 Ca -0.08 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3gbv s ALA 168 Cb 0.07 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 3gbv s ALA 168 CO 0.91 -0.56 -0.11 0.12 0.00 0.00 0.00 175.76 176.12 3gbv s PHE 169 N -2.63 1.00 -0.12 0.00 5.36 0.48 -0.91 117.98 121.16 3gbv s PHE 169 Ca -0.04 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.71 3gbv s PHE 169 Cb -0.00 -0.67 0.03 0.00 -0.34 0.00 0.00 43.02 42.04 3gbv s PHE 169 CO -0.03 -0.05 -0.04 -0.06 -1.46 0.00 0.00 175.22 173.58 3gbv s PHE 170 N -0.12 1.25 0.00 10.12 0.08 -0.45 -0.62 117.98 128.23 3gbv s PHE 170 Ca 0.02 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.42 3gbv s PHE 170 Cb -0.06 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.29 3gbv s PHE 170 CO -0.00 -0.49 0.00 0.41 -0.10 0.00 0.00 175.22 175.04 3gbv n GLY 171 N 5.00 -0.72 3.88 4.36 0.00 -1.04 -0.33 105.19 116.34 3gbv n GLY 171 Ca -0.10 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 3.56 -0.83 1.61 -0.21 -1.26 -3.98 119.66 116.55 3gbv s GLN 172 Ca 0.00 0.64 -0.25 0.00 0.02 0.00 0.00 55.36 55.78 3gbv s GLN 172 Cb 0.00 -2.13 0.05 0.00 1.00 0.00 0.00 33.01 31.93 3gbv s GLN 172 CO 0.00 -0.53 1.28 1.21 -2.12 0.00 0.00 175.29 175.13 3gbv s ASN 173 N -4.18 6.30 0.28 5.90 3.84 -1.26 -4.86 114.94 120.97 3gbv s ASN 173 Ca 0.54 -0.95 0.02 0.00 0.21 0.00 0.00 52.86 52.68 3gbv s ASN 173 Cb -0.11 -2.53 0.67 0.00 -0.55 0.00 0.00 41.25 38.73 3gbv s ASN 173 CO 0.52 -1.63 1.72 0.77 -2.79 0.00 0.00 177.10 175.70 3gbv h SER 174 N 9.81 0.41 0.06 -4.21 4.64 -1.92 0.96 113.55 123.31 3gbv h SER 174 Ca -0.10 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3gbv h SER 174 Cb 1.04 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3gbv h SER 174 CO 1.30 0.08 -0.03 -0.74 -0.87 0.00 0.00 176.83 176.57 3gbv h HIS 175 N 0.48 -0.08 -0.21 4.77 -0.00 -1.89 -1.93 115.15 116.29 3gbv h HIS 175 Ca 0.53 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.81 3gbv h HIS 175 Cb 0.93 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 3gbv h HIS 175 CO -0.11 -0.00 -0.27 0.37 -0.00 0.00 0.00 177.93 177.91 3gbv h GLN 176 N -0.14 0.41 -0.65 5.26 5.75 -1.73 -2.03 115.11 121.98 3gbv h GLN 176 Ca -0.01 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 3gbv h GLN 176 Cb 0.11 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3gbv h GLN 176 CO 0.01 0.65 0.17 1.03 -2.65 0.00 0.00 178.83 178.04 3gbv h SER 177 N 0.36 0.95 0.09 -0.69 0.87 -0.62 -0.84 113.55 113.66 3gbv h SER 177 Ca 0.05 -0.18 -0.22 0.00 -1.23 0.00 0.00 61.79 60.21 3gbv h SER 177 Cb 0.67 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3gbv h SER 177 CO 0.05 0.90 -0.84 1.23 -0.53 0.00 0.00 176.83 177.64 3gbv h GLY 178 N 1.05 0.66 0.99 5.77 0.00 -1.14 -1.53 103.07 108.86 3gbv h GLY 178 Ca 0.21 -1.01 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 3gbv h GLY 178 CO -0.00 0.89 0.28 -1.82 0.00 0.00 0.00 176.54 175.89 3gbv h TYR 179 N 0.38 0.62 -0.67 5.60 3.20 -1.14 -0.81 116.97 124.15 3gbv h TYR 179 Ca -0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 3gbv h TYR 179 Cb 1.46 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 3gbv h TYR 179 CO 0.07 0.43 0.24 0.35 -1.64 0.00 0.00 178.16 177.62 3gbv h PHE 180 N 0.62 1.04 -0.66 -3.82 3.57 -1.14 -2.39 116.94 114.16 3gbv h PHE 180 Ca 0.17 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3gbv h PHE 180 Cb 0.00 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 3gbv h PHE 180 CO -0.03 0.83 0.35 0.00 -2.23 0.00 0.00 178.31 177.22 3gbv h ALA 181 N 1.10 1.37 -0.28 2.41 0.00 -0.77 -2.44 119.26 120.66 3gbv h ALA 181 Ca 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gbv h ALA 181 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gbv h ALA 181 CO -0.01 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.83 3gbv h ALA 182 N 1.46 0.36 0.00 0.00 0.00 -0.82 -1.10 119.26 119.16 3gbv h ALA 182 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gbv h ALA 182 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gbv h ALA 182 CO -0.04 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.09 3gbv n ARG 183 N -4.71 0.00 -1.02 0.00 3.00 -0.92 -4.65 116.66 108.36 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 0.17 -0.90 0.00 0.00 0.00 0.00 0.00 32.46 31.72 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 0.25 0.00 0.00 6.15 7.94 -0.42 -4.75 117.00 126.17 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 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.69 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 -0.65 0.00 0.04 -1.96 7.94 -1.26 -0.18 117.00 120.92 3gbv n LEU 187 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 3gbv n LEU 187 Cb 0.13 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.94 3gbv n LEU 187 CO 0.00 0.00 -0.34 0.25 -1.11 0.00 0.00 177.39 176.19 3gbv h LEU 188 N 0.00 0.49 -3.83 -1.96 5.85 -1.96 -3.37 115.31 110.53 3gbv h LEU 188 Ca 0.00 -0.90 -0.46 0.00 0.84 0.00 0.00 57.88 57.36 3gbv h LEU 188 Cb 0.00 -0.16 -0.26 0.00 0.37 0.00 0.00 40.66 40.61 3gbv h LEU 188 CO 0.00 1.62 0.46 0.00 -0.34 0.00 0.00 178.44 180.18 3gbv n ALA 189 N -2.86 5.38 -0.03 1.25 0.00 0.74 -4.87 120.51 120.11 3gbv n ALA 189 Ca -0.22 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.15 3gbv n ALA 189 Cb 0.94 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3gbv n ALA 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gbv n VAL 190 N -1.10 0.00 -2.80 0.00 0.31 -1.26 -1.43 118.33 112.05 3gbv n VAL 190 Ca 0.53 0.52 -0.39 0.00 -0.01 0.00 0.00 64.34 64.99 3gbv n VAL 190 Cb 1.36 -0.70 0.01 0.00 -0.91 0.00 0.00 33.84 33.60 3gbv n VAL 190 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3gbv n ASN 191 N -2.20 6.66 -4.31 4.52 3.02 -1.26 -4.98 115.26 116.70 3gbv n ASN 191 Ca 0.00 -3.61 -0.32 0.00 -0.03 0.00 0.00 54.58 50.61 3gbv n ASN 191 Cb 0.00 -1.10 -0.15 0.00 -0.61 0.00 0.00 39.78 37.91 3gbv n ASN 191 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gbv s ASP 192 N -1.75 3.61 0.31 6.41 1.01 -0.51 -5.02 116.67 120.73 3gbv s ASP 192 Ca 0.38 -0.42 0.15 0.00 0.71 0.00 0.00 52.55 53.38 3gbv s ASP 192 Cb 0.16 -1.45 0.42 0.00 1.01 0.00 0.00 42.92 43.07 3gbv s ASP 192 CO -0.07 0.18 1.61 0.03 0.21 0.00 0.00 175.17 177.13 3gbv h ARG 193 N 6.59 0.00 -3.90 8.23 2.47 -1.93 -3.45 114.38 122.38 3gbv h ARG 193 Ca -0.25 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.37 3gbv h ARG 193 Cb 1.22 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.39 3gbv h ARG 193 CO 0.52 0.52 -0.47 -1.21 0.56 0.00 0.00 179.97 179.89 3gbv s GLU 194 N -3.42 0.74 0.15 0.04 2.02 -1.26 -1.05 118.70 115.93 3gbv s GLU 194 Ca 0.00 -0.98 -0.05 0.00 0.02 0.00 0.00 54.97 53.96 3gbv s GLU 194 Cb 0.11 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.61 3gbv s GLU 194 CO 0.73 -0.21 0.18 0.96 0.02 0.00 0.00 175.26 176.94 3gbv s ILE 195 N -3.63 0.08 0.01 -1.63 -5.25 -0.74 -4.55 121.20 105.49 3gbv s ILE 195 Ca 0.04 -1.63 0.02 0.00 -0.99 0.00 0.00 60.65 58.09 3gbv s ILE 195 Cb 0.05 -1.94 -0.01 0.00 2.95 0.00 0.00 42.46 43.51 3gbv s ILE 195 CO -0.10 -0.37 -0.07 0.54 -1.79 0.00 0.00 174.94 173.16 3gbv s VAL 196 N -4.01 0.53 -0.19 8.37 0.11 -0.98 -0.80 120.40 123.43 3gbv s VAL 196 Ca 0.20 -0.49 -0.11 0.00 -2.93 0.00 0.00 61.98 58.66 3gbv s VAL 196 Cb 0.05 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 3gbv s VAL 196 CO 0.01 0.01 0.18 -0.63 -3.33 0.00 0.00 175.10 171.34 3gbv s ILE 197 N -0.46 5.37 -0.18 7.04 1.01 -0.34 -1.08 121.20 132.56 3gbv s ILE 197 Ca -0.00 0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.85 3gbv s ILE 197 Cb -0.04 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3gbv s ILE 197 CO -0.00 0.41 0.08 -0.36 0.00 0.00 0.00 174.94 175.07 3gbv s PHE 198 N 0.48 3.30 0.26 3.97 0.08 0.16 -1.91 117.98 124.32 3gbv s PHE 198 Ca 0.10 0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.35 3gbv s PHE 198 Cb -0.12 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 3gbv s PHE 198 CO 0.00 0.21 0.01 1.03 -0.10 0.00 0.00 175.22 176.38 3gbv s ARG 199 N 0.31 1.43 -0.25 0.44 0.52 -0.65 -4.12 118.95 116.62 3gbv s ARG 199 Ca 0.05 -1.74 -0.03 0.00 -0.52 0.00 0.00 55.73 53.49 3gbv s ARG 199 Cb -0.12 -0.70 0.11 0.00 0.52 0.00 0.00 34.95 34.76 3gbv s ARG 199 CO -0.00 -0.11 0.21 0.21 0.02 0.00 0.00 175.30 175.63 3gbv s LYS 200 N -3.87 0.23 0.13 3.54 2.20 -1.26 -1.21 119.74 119.50 3gbv s LYS 200 Ca 0.31 -0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 3gbv s LYS 200 Cb 0.06 -1.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.29 3gbv s LYS 200 CO 0.11 -0.88 0.25 0.96 -0.36 0.00 0.00 175.35 175.43 3gbv s ILE 201 N 2.27 5.21 -0.04 5.43 -4.36 -0.30 -4.88 121.20 124.53 3gbv s ILE 201 Ca 0.08 -0.68 0.06 0.00 -0.26 0.00 0.00 60.65 59.84 3gbv s ILE 201 Cb -0.15 -3.65 -0.01 0.00 1.25 0.00 0.00 42.46 39.90 3gbv s ILE 201 CO -0.25 -0.04 -0.21 -1.00 0.24 0.00 0.00 174.94 173.67 3gbv s HIS 202 N -1.69 2.06 -0.93 1.37 3.76 -1.07 -0.88 115.29 117.91 3gbv s HIS 202 Ca 0.34 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3gbv s HIS 202 Cb -0.11 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.22 3gbv s HIS 202 CO 0.28 -0.16 0.00 0.39 -0.85 0.00 0.00 174.74 174.40 3gbv n GLU 203 N 2.94 -1.46 0.00 1.40 1.02 -1.26 -0.79 120.64 122.49 3gbv n GLU 203 Ca -0.17 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3gbv n GLU 203 Cb 0.52 -4.77 0.00 0.00 -0.02 0.00 0.00 31.44 27.17 3gbv n GLU 203 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gbv n GLY 204 N -0.29 2.60 3.70 0.62 0.00 -1.26 -5.03 105.19 105.53 3gbv n GLY 204 Ca -0.09 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 3gbv n GLY 204 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gbv n VAL 205 N 0.00 3.72 -0.47 1.61 0.24 0.03 -4.90 118.33 118.55 3gbv n VAL 205 Ca 0.00 -0.39 0.11 0.00 -2.04 0.00 0.00 64.34 62.02 3gbv n VAL 205 Cb 0.00 -1.35 0.34 0.00 -1.47 0.00 0.00 33.84 31.37 3gbv n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gbv n ILE 206 N -2.46 1.42 -1.63 1.34 3.06 -1.26 -2.59 119.36 117.24 3gbv n ILE 206 Ca 0.15 -1.08 0.00 0.00 -2.50 0.00 0.00 62.75 59.32 3gbv n ILE 206 Cb 0.49 0.30 0.00 0.00 0.54 0.00 0.00 39.64 40.97 3gbv n ILE 206 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3gbv n GLY 207 N 1.41 0.00 0.00 4.50 0.00 -1.26 -4.83 105.19 105.00 3gbv n GLY 207 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3gbv n GLY 207 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gbv n SER 208 N 0.35 0.00 -0.21 1.61 2.88 -1.10 -4.64 113.62 112.51 3gbv n SER 208 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 3gbv n SER 208 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 3gbv n SER 208 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3gbv h ASN 209 N 0.00 0.97 -0.40 -3.46 2.35 -1.88 -1.18 115.58 111.99 3gbv h ASN 209 Ca 0.00 -0.21 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 3gbv h ASN 209 Cb 0.00 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 3gbv h ASN 209 CO 0.00 0.95 0.13 -0.61 -1.65 0.00 0.00 177.43 176.26 3gbv h GLN 210 N 0.97 0.28 -0.02 0.81 5.75 -1.91 0.12 115.11 121.11 3gbv h GLN 210 Ca 0.20 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3gbv h GLN 210 Cb 0.38 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 3gbv h GLN 210 CO 0.01 0.19 0.01 1.96 -2.65 0.00 0.00 178.83 178.34 3gbv h GLN 211 N 0.29 0.03 -0.10 1.69 4.20 -1.75 -0.36 115.11 119.11 3gbv h GLN 211 Ca 0.19 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3gbv h GLN 211 Cb 0.18 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3gbv h GLN 211 CO -0.20 0.11 0.06 1.49 -0.67 0.00 0.00 178.83 179.63 3gbv h GLU 212 N -0.06 0.13 -0.85 1.46 4.81 -0.98 -2.32 114.58 116.78 3gbv h GLU 212 Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3gbv h GLU 212 Cb 0.09 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3gbv h GLU 212 CO -0.00 0.09 0.48 1.03 -0.73 0.00 0.00 179.01 179.87 3gbv h SER 213 N 0.13 1.05 -0.98 1.04 0.87 -0.72 -1.82 113.55 113.13 3gbv h SER 213 Ca 0.04 -0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 3gbv h SER 213 Cb -0.01 -0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 61.62 3gbv h SER 213 CO -0.01 0.83 0.63 0.03 -0.53 0.00 0.00 176.83 177.78 3gbv h ARG 214 N 1.17 1.10 -0.59 2.24 3.08 -0.78 -1.15 114.38 119.46 3gbv h ARG 214 Ca 0.30 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3gbv h ARG 214 Cb 0.01 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3gbv h ARG 214 CO -0.05 0.73 0.16 1.49 -1.07 0.00 0.00 179.97 181.24 3gbv h GLU 215 N 1.14 0.90 -0.66 0.04 4.81 -0.79 -1.13 114.58 118.89 3gbv h GLU 215 Ca 0.42 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3gbv h GLU 215 Cb 0.18 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3gbv h GLU 215 CO -0.18 0.79 0.09 0.82 -0.73 0.00 0.00 179.01 179.80 3gbv h ILE 216 N 0.87 1.26 -0.09 2.32 2.04 -0.69 -0.85 117.51 122.37 3gbv h ILE 216 Ca 0.19 -1.05 -0.12 0.00 1.00 0.00 0.00 64.86 64.87 3gbv h ILE 216 Cb 0.28 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3gbv h ILE 216 CO -0.01 0.39 -0.50 1.23 0.00 0.00 0.00 178.15 179.27 3gbv h GLY 217 N 1.04 0.26 0.80 5.37 0.00 -1.01 -1.98 103.07 107.55 3gbv h GLY 217 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3gbv h GLY 217 CO 0.02 0.26 -0.01 -2.75 0.00 0.00 0.00 176.54 174.05 3gbv h PHE 218 N 0.19 -0.04 -0.09 5.60 3.57 -0.81 -2.50 116.94 122.87 3gbv h PHE 218 Ca 0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3gbv h PHE 218 Cb 0.95 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3gbv h PHE 218 CO 0.02 0.17 -0.17 0.00 -2.23 0.00 0.00 178.31 176.09 3gbv h ARG 219 N -0.24 0.14 -0.16 1.11 3.08 -1.07 -2.74 114.38 114.51 3gbv h ARG 219 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3gbv h ARG 219 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3gbv h ARG 219 CO 0.01 0.32 0.05 0.37 -1.07 0.00 0.00 179.97 179.64 3gbv h GLN 220 N 0.13 0.26 -1.24 0.04 4.15 -1.17 0.48 115.11 117.76 3gbv h GLN 220 Ca 0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3gbv h GLN 220 Cb 0.39 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3gbv h GLN 220 CO 0.03 0.39 0.00 0.98 -1.93 0.00 0.00 178.83 178.29 3gbv n TYR 221 N -4.82 0.00 0.00 3.99 9.36 -0.96 -0.98 117.16 123.75 3gbv n TYR 221 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3gbv n TYR 221 Cb 0.15 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 3gbv n TYR 221 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3gbv n GLN 223 N 0.80 0.00 0.18 2.98 6.02 0.16 -0.45 117.38 127.06 3gbv n GLN 223 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 3gbv n GLN 223 Cb 0.00 0.00 0.29 0.00 1.02 0.00 0.00 30.24 31.55 3gbv n GLN 223 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3gbv h GLU 224 N 0.00 0.00 0.00 -1.09 5.08 -1.31 -3.33 114.58 113.93 3gbv h GLU 224 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3gbv h GLU 224 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3gbv h GLU 224 CO 0.00 0.42 -1.37 0.72 -1.00 0.00 0.00 179.01 177.79 3gbv n HIS 225 N -3.56 0.00 -3.18 4.33 8.25 0.40 -4.87 115.22 116.58 3gbv n HIS 225 Ca -0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3gbv n HIS 225 Cb 0.54 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.41 0.21 0.30 4.41 8.25 -1.26 -4.93 115.22 119.79 3gbv n HIS 226 Ca -0.10 -3.77 0.19 0.00 -0.26 0.00 0.00 57.72 53.78 3gbv n HIS 226 Cb 0.65 -0.41 1.01 0.00 1.12 0.00 0.00 29.99 32.36 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 3.22 0.00 0.00 -0.41 0.13 -1.90 -0.97 132.00 132.08 3gbv h PRO 227 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gbv h PRO 227 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3gbv h PRO 227 CO 0.50 0.00 -0.37 0.00 -0.23 0.00 0.00 178.00 177.90 3gbv h ALA 228 N 1.88 0.80 -2.48 -0.56 0.00 -1.92 -3.46 119.26 113.53 3gbv h ALA 228 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3gbv h ALA 228 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gbv h ALA 228 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.89 3gbv s ASN 230 N 1.18 7.43 -0.45 0.00 3.04 -0.21 -4.96 114.94 120.97 3gbv s ASN 230 Ca 0.61 1.79 -0.09 0.00 0.04 0.00 0.00 52.86 55.21 3gbv s ASN 230 Cb -0.31 -2.58 0.10 0.00 -1.54 0.00 0.00 41.25 36.92 3gbv s ASN 230 CO 0.29 -0.14 0.30 -0.63 -3.04 0.00 0.00 177.10 173.87 3gbv s ILE 231 N 0.27 4.13 0.60 -5.21 1.01 -1.26 -1.78 121.20 118.96 3gbv s ILE 231 Ca 0.49 -1.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 3gbv s ILE 231 Cb -0.23 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 3gbv s ILE 231 CO 0.30 -0.66 0.96 -0.76 0.00 0.00 0.00 174.94 174.78 3gbv s LEU 232 N 1.37 3.23 -0.00 2.97 1.43 0.02 -4.94 118.68 122.76 3gbv s LEU 232 Ca 0.05 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3gbv s LEU 232 Cb -0.25 -3.96 -0.00 0.00 0.03 0.00 0.00 46.19 42.01 3gbv s LEU 232 CO 0.00 -0.98 -0.02 -1.61 0.23 0.00 0.00 176.35 173.97 3gbv s GLU 233 N -5.08 0.19 -0.13 1.70 2.02 -1.26 -1.19 118.70 114.94 3gbv s GLU 233 Ca 0.54 -0.11 -0.02 0.00 0.02 0.00 0.00 54.97 55.41 3gbv s GLU 233 Cb -0.11 -0.17 0.04 0.00 0.10 0.00 0.00 34.13 34.00 3gbv s GLU 233 CO 0.49 0.04 -0.01 -1.17 0.02 0.00 0.00 175.26 174.64 3gbv s LEU 234 N -0.12 1.03 -0.27 1.80 2.96 -0.81 -4.95 118.68 118.33 3gbv s LEU 234 Ca 0.00 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.37 3gbv s LEU 234 Cb -0.01 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 3gbv s LEU 234 CO -0.00 -0.22 0.14 0.20 -1.32 0.00 0.00 176.35 175.15 3gbv s ASN 235 N 1.84 5.64 0.35 3.68 0.01 -1.26 -1.63 114.94 123.57 3gbv s ASN 235 Ca 0.02 -0.14 -0.03 0.00 -0.71 0.00 0.00 52.86 52.00 3gbv s ASN 235 Cb -0.14 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 3gbv s ASN 235 CO -0.07 -0.06 0.60 -0.76 -1.51 0.00 0.00 177.10 175.30 3gbv s LEU 236 N 1.69 3.96 -0.08 0.60 1.43 -0.35 -4.95 118.68 120.98 3gbv s LEU 236 Ca 0.07 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 3gbv s LEU 236 Cb -0.16 -3.52 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 3gbv s LEU 236 CO 0.08 -0.31 -0.23 -1.00 0.23 0.00 0.00 176.35 175.12 3gbv s HIS 237 N -2.30 2.40 -0.01 0.29 3.76 -1.26 -1.15 115.29 117.02 3gbv s HIS 237 Ca 0.43 -0.90 -0.19 0.00 -0.15 0.00 0.00 55.06 54.25 3gbv s HIS 237 Cb -0.10 -1.60 -0.33 0.00 1.11 0.00 0.00 32.58 31.65 3gbv s HIS 237 CO 0.35 -0.34 0.95 0.00 -0.85 0.00 0.00 174.74 174.85 3gbv h ALA 238 N 6.54 -0.12 -0.68 -1.40 0.00 -1.35 -3.34 119.26 118.91 3gbv h ALA 238 Ca -0.24 -0.77 -0.71 0.00 0.00 0.00 0.00 54.91 53.19 3gbv h ALA 238 Cb 1.22 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 3gbv h ALA 238 CO 0.47 0.52 2.39 -0.25 0.00 0.00 0.00 179.25 182.38 3gbv n ASP 239 N -3.94 4.62 -3.12 0.00 8.00 -1.26 -4.88 116.55 115.97 3gbv n ASP 239 Ca -0.15 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.41 3gbv n ASP 239 Cb 0.95 -1.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3gbv n ASP 239 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gbv n LEU 240 N 6.34 0.00 0.00 0.64 4.32 -1.26 -4.90 117.00 122.15 3gbv n LEU 240 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 3gbv n LEU 240 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 3gbv n LEU 240 CO 0.80 -0.13 0.00 -3.20 -1.22 0.00 0.00 177.39 173.65 3gbv n ASN 241 N -0.19 0.00 -4.16 -1.43 5.15 -1.26 -5.06 115.26 108.31 3gbv n ASN 241 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 3gbv n ASN 241 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.10 3gbv n ASN 241 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3gbv s ILE 242 N -0.72 2.41 0.16 -1.44 -4.36 -1.26 -5.10 121.20 110.88 3gbv s ILE 242 Ca 0.00 -0.95 -0.17 0.00 -0.26 0.00 0.00 60.65 59.27 3gbv s ILE 242 Cb 0.00 -2.10 -0.07 0.00 1.25 0.00 0.00 42.46 41.53 3gbv s ILE 242 CO 0.00 0.41 0.61 -1.61 0.24 0.00 0.00 174.94 174.59 3gbv s GLU 243 N 1.31 4.10 0.23 0.37 0.41 -1.26 -4.74 118.70 119.11 3gbv s GLU 243 Ca 0.03 0.65 -0.11 0.00 -0.41 0.00 0.00 54.97 55.13 3gbv s GLU 243 Cb -0.14 -2.97 0.31 0.00 -1.78 0.00 0.00 34.13 29.54 3gbv s GLU 243 CO -0.09 0.48 1.62 -0.44 -0.49 0.00 0.00 175.26 176.34 3gbv h ASP 244 N 3.70 -0.57 -0.07 -0.19 3.45 -1.99 0.29 116.42 121.04 3gbv h ASP 244 Ca -0.49 0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.15 3gbv h ASP 244 Cb 1.20 0.41 -0.01 0.00 -0.56 0.00 0.00 39.33 40.37 3gbv h ASP 244 CO 0.65 -0.22 -0.03 0.77 -1.57 0.00 0.00 179.24 178.85 3gbv h SER 245 N 0.02 0.23 0.00 6.45 4.64 -1.96 -2.19 113.55 120.75 3gbv h SER 245 Ca 0.35 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3gbv h SER 245 Cb 0.56 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3gbv h SER 245 CO -0.70 0.30 0.00 -1.14 -0.87 0.00 0.00 176.83 174.42 3gbv n ARG 246 N -4.36 0.56 0.00 4.77 0.63 0.09 -1.38 116.66 116.97 3gbv n ARG 246 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3gbv n ARG 246 Cb 0.19 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.88 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 0.95 0.00 -0.08 6.15 7.99 -0.82 -2.31 117.00 128.88 3gbv n LEU 248 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.93 3gbv n LEU 248 Cb 0.28 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.59 3gbv n LEU 248 CO 0.00 0.00 0.85 0.44 -1.51 0.00 0.00 177.39 177.17 3gbv h ASP 249 N 0.00 -0.14 -0.41 -1.43 3.32 -1.51 0.27 116.42 116.53 3gbv h ASP 249 Ca 0.00 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3gbv h ASP 249 Cb 0.00 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3gbv h ASP 249 CO 0.00 -0.03 0.23 0.44 -1.72 0.00 0.00 179.24 178.16 3gbv h ASP 250 N 0.07 0.50 0.26 6.45 3.32 -1.74 -0.78 116.42 124.51 3gbv h ASP 250 Ca 0.14 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3gbv h ASP 250 Cb 0.19 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3gbv h ASP 250 CO -0.24 0.44 -0.17 0.15 -1.72 0.00 0.00 179.24 177.69 3gbv h PHE 251 N 0.53 -0.45 0.00 4.55 3.57 -1.69 0.90 116.94 124.34 3gbv h PHE 251 Ca 0.14 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3gbv h PHE 251 Cb 0.04 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3gbv h PHE 251 CO -0.03 -0.27 -0.03 0.74 -2.23 0.00 0.00 178.31 176.49 3gbv h PHE 252 N -0.43 0.00 0.01 0.41 0.05 -0.91 0.50 116.94 116.56 3gbv h PHE 252 Ca -0.02 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.77 3gbv h PHE 252 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.31 3gbv h PHE 252 CO -0.10 0.03 -0.00 -0.09 -0.18 0.00 0.00 178.31 177.97 3gbv h ARG 253 N 0.00 -0.01 0.00 1.51 2.43 -0.55 -2.15 114.38 115.61 3gbv h ARG 253 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3gbv h ARG 253 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3gbv h ARG 253 CO 0.00 0.74 0.00 1.49 -1.51 0.00 0.00 179.97 180.69 3gbv h GLU 254 N -0.77 0.00 -2.11 0.20 4.57 -0.51 -3.32 114.58 112.63 3gbv h GLU 254 Ca -0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 3gbv h GLU 254 Cb 0.75 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.93 3gbv h GLU 254 CO 0.00 0.00 -0.95 0.72 -1.18 0.00 0.00 179.01 177.60 3gbv n HIS 255 N -2.92 1.65 0.30 0.92 8.25 0.17 -4.93 115.22 118.67 3gbv n HIS 255 Ca 0.03 -3.87 0.17 0.00 -0.26 0.00 0.00 57.72 53.78 3gbv n HIS 255 Cb 0.40 -0.45 0.96 0.00 1.12 0.00 0.00 29.99 32.02 3gbv n HIS 255 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gbv h PRO 256 N 3.28 0.00 0.00 -0.41 0.13 -1.50 -3.06 132.00 130.44 3gbv h PRO 256 Ca 0.12 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.01 3gbv h PRO 256 Cb 0.78 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 3gbv h PRO 256 CO 0.63 0.02 -1.18 -0.44 -0.23 0.00 0.00 178.00 176.80 3gbv h ASP 257 N 0.00 0.00 -2.11 1.44 5.19 -1.91 -3.46 116.42 115.56 3gbv h ASP 257 Ca -0.00 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.80 3gbv h ASP 257 Cb 0.09 0.00 0.05 0.00 0.18 0.00 0.00 39.33 39.64 3gbv h ASP 257 CO 0.00 1.00 0.82 0.55 -3.12 0.00 0.00 179.24 178.50 3gbv n VAL 258 N -3.27 0.14 0.05 -1.35 3.14 -1.16 -4.88 118.33 111.00 3gbv n VAL 258 Ca -0.04 -0.03 0.01 0.00 -2.96 0.00 0.00 64.34 61.32 3gbv n VAL 258 Cb 0.97 -1.50 -0.02 0.00 -1.06 0.00 0.00 33.84 32.23 3gbv n VAL 258 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3gbv n LYS 259 N 4.08 2.93 -4.43 1.45 5.02 -1.26 -4.90 118.16 121.05 3gbv n LYS 259 Ca 0.19 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.27 3gbv n LYS 259 Cb 0.27 -0.85 -0.14 0.00 -0.02 0.00 0.00 35.03 34.29 3gbv n LYS 259 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3gbv s HIS 260 N -1.74 1.09 0.29 2.13 3.76 -1.26 -1.98 115.29 117.59 3gbv s HIS 260 Ca -0.00 -0.27 -0.03 0.00 -0.15 0.00 0.00 55.06 54.61 3gbv s HIS 260 Cb 0.02 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 3gbv s HIS 260 CO 0.11 -0.00 0.38 0.20 -0.85 0.00 0.00 174.74 174.58 3gbv s GLY 261 N -0.66 1.38 -0.04 -2.22 0.00 -0.90 -2.31 107.32 102.57 3gbv s GLY 261 Ca 0.03 -1.49 -0.27 0.00 0.00 0.00 0.00 44.72 42.99 3gbv s GLY 261 CO 0.00 -1.06 0.59 -1.50 0.00 0.00 0.00 173.10 171.13 3gbv s ILE 262 N -3.53 0.01 0.06 0.90 2.07 -0.24 -2.32 121.20 118.15 3gbv s ILE 262 Ca 0.32 -0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.48 3gbv s ILE 262 Cb 0.01 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 3gbv s ILE 262 CO 0.17 -0.07 -0.12 0.28 -1.91 0.00 0.00 174.94 173.30 3gbv s THR 263 N -1.30 0.91 -1.60 4.00 -1.32 -1.04 0.41 115.64 115.70 3gbv s THR 263 Ca -0.11 -1.24 0.14 0.00 -1.21 0.00 0.00 61.69 59.26 3gbv s THR 263 Cb -0.01 -0.92 0.08 0.00 -1.51 0.00 0.00 72.50 70.13 3gbv s THR 263 CO 0.08 -0.29 0.89 0.49 -2.21 0.00 0.00 174.62 173.58 3gbv n PHE 264 N 1.31 0.00 -2.63 9.09 3.72 -1.26 -4.36 117.46 123.34 3gbv n PHE 264 Ca -0.22 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.99 3gbv n PHE 264 Cb 0.54 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.53 1.28 -1.52 4.37 0.23 -1.26 -4.75 115.26 114.14 3gbv n ASN 265 Ca 0.07 -2.05 0.09 0.00 -0.53 0.00 0.00 54.58 52.17 3gbv n ASN 265 Cb 0.33 -0.54 0.35 0.00 -2.08 0.00 0.00 39.78 37.83 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 -2.85 4.66 -2.41 0.53 3.41 -1.26 -4.06 113.62 111.65 3gbv n SER 266 Ca 0.14 -2.45 -0.33 0.00 -0.26 0.00 0.00 58.87 55.98 3gbv n SER 266 Cb 0.52 -0.56 0.05 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.05 3.01 0.31 4.33 4.76 -1.26 -4.71 118.16 125.64 3gbv n LYS 267 Ca 0.25 -3.69 0.19 0.00 -2.87 0.00 0.00 58.31 52.18 3gbv n LYS 267 Cb 0.87 -2.28 0.98 0.00 -1.84 0.00 0.00 35.03 32.76 3gbv n LYS 267 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3gbv h VAL 268 N 1.69 0.19 -0.02 -0.18 3.04 -1.85 -2.27 116.25 116.85 3gbv h VAL 268 Ca 0.51 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 3gbv h VAL 268 Cb 0.82 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 3gbv h VAL 268 CO 1.28 0.02 0.02 0.10 -1.01 0.00 0.00 177.57 177.98 3gbv h TYR 269 N 0.00 0.00 -0.69 3.17 -0.00 -1.86 -0.54 116.97 117.05 3gbv h TYR 269 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 3gbv h TYR 269 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.86 3gbv h TYR 269 CO 0.00 0.00 0.40 0.82 -0.00 0.00 0.00 178.16 179.38 3gbv h ILE 270 N 0.00 1.20 0.14 -0.90 2.04 -1.81 0.65 117.51 118.84 3gbv h ILE 270 Ca 0.01 -0.47 -0.30 0.00 1.00 0.00 0.00 64.86 65.10 3gbv h ILE 270 Cb 0.05 0.27 0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3gbv h ILE 270 CO -0.00 0.21 -1.27 0.40 0.00 0.00 0.00 178.15 177.49 3gbv h ILE 271 N 0.94 1.33 -0.31 -0.67 1.08 -1.44 -2.78 117.51 115.65 3gbv h ILE 271 Ca 0.24 -2.62 -0.03 0.00 -0.39 0.00 0.00 64.86 62.07 3gbv h ILE 271 Cb -0.01 2.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.52 3gbv h ILE 271 CO -0.04 0.79 0.08 1.23 -0.69 0.00 0.00 178.15 179.52 3gbv h GLY 272 N 0.58 0.54 2.00 5.37 0.00 -0.78 -2.10 103.07 108.67 3gbv h GLY 272 Ca -0.19 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 3gbv h GLY 272 CO 0.23 0.31 -0.35 0.83 0.00 0.00 0.00 176.54 177.57 3gbv h GLU 273 N 0.35 0.00 -0.22 4.80 5.08 0.19 -1.67 114.58 123.11 3gbv h GLU 273 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3gbv h GLU 273 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3gbv h GLU 273 CO -0.00 0.35 0.04 -0.92 -1.00 0.00 0.00 179.01 177.48 3gbv h TYR 274 N 0.00 0.37 -0.14 4.33 3.20 -1.21 -1.02 116.97 122.50 3gbv h TYR 274 Ca -0.00 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3gbv h TYR 274 Cb 0.76 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3gbv h TYR 274 CO 0.00 0.47 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.76 3gbv h LEU 275 N 0.16 0.21 -0.10 2.82 3.38 -1.07 -2.11 115.31 118.60 3gbv h LEU 275 Ca 0.07 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3gbv h LEU 275 Cb 0.30 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gbv h LEU 275 CO 0.00 0.40 -0.15 -0.61 0.09 0.00 0.00 178.44 178.17 3gbv h GLN 276 N 0.21 0.27 0.00 1.13 5.75 -1.06 0.72 115.11 122.14 3gbv h GLN 276 Ca 0.04 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3gbv h GLN 276 Cb 0.42 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3gbv h GLN 276 CO 0.03 0.73 0.00 0.37 -2.65 0.00 0.00 178.83 177.31 3gbv h GLN 277 N -0.16 0.00 -0.49 1.69 4.15 -1.05 -1.51 115.11 117.75 3gbv h GLN 277 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3gbv h GLN 277 Cb 0.70 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.39 3gbv h GLN 277 CO 0.03 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.47 3gbv n ARG 278 N -2.66 2.85 -4.01 1.69 5.12 -0.81 -4.95 116.66 113.90 3gbv n ARG 278 Ca 0.01 -2.31 -0.32 0.00 -1.93 0.00 0.00 57.85 53.31 3gbv n ARG 278 Cb 0.27 -1.40 -0.06 0.00 -1.16 0.00 0.00 32.46 30.11 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 0.90 -1.32 -3.04 5.56 1.74 -0.55 -4.87 116.66 115.09 3gbv n ARG 279 Ca 0.17 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.94 3gbv n ARG 279 Cb 0.52 -4.67 -0.05 0.00 -1.02 0.00 0.00 32.46 27.24 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 -6.66 4.18 0.00 5.56 2.47 0.14 -4.91 119.74 120.52 3gbv s LYS 280 Ca 0.62 0.72 0.00 0.00 -1.56 0.00 0.00 55.97 55.74 3gbv s LYS 280 Cb -0.36 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 3gbv s LYS 280 CO 0.76 -0.38 0.98 -1.13 0.16 0.00 0.00 175.35 175.75 3gbv n SER 281 N 5.53 1.96 -2.20 1.43 3.41 -1.26 -4.64 113.62 117.85 3gbv n SER 281 Ca 0.01 -1.97 -0.29 0.00 -0.26 0.00 0.00 58.87 56.36 3gbv n SER 281 Cb 0.49 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.48 6.15 -3.64 4.04 2.03 -1.26 -4.89 116.55 118.50 3gbv n ASP 282 Ca 0.00 -3.74 -0.11 0.00 0.52 0.00 0.00 54.79 51.46 3gbv n ASP 282 Cb 0.24 -0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 39.71 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 -3.64 -0.88 -0.02 -0.67 5.36 -1.26 -4.63 117.98 112.24 3gbv s PHE 283 Ca 0.60 1.93 0.04 0.00 -0.96 0.00 0.00 56.93 58.55 3gbv s PHE 283 Cb 0.49 0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 43.58 3gbv s PHE 283 CO 0.02 -0.43 -0.15 -1.54 -1.46 0.00 0.00 175.22 171.66 3gbv s SER 284 N 0.99 1.78 0.28 6.13 1.04 -0.84 -4.85 113.70 118.23 3gbv s SER 284 Ca -0.05 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.17 3gbv s SER 284 Cb -0.05 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 3gbv s SER 284 CO -0.09 0.17 0.26 -0.76 0.98 0.00 0.00 173.24 173.81 3gbv s LEU 285 N -0.28 3.81 -0.09 2.42 2.01 -0.56 -2.13 118.68 123.86 3gbv s LEU 285 Ca 0.04 -0.29 0.02 0.00 0.01 0.00 0.00 54.13 53.91 3gbv s LEU 285 Cb -0.07 -2.39 0.01 0.00 0.01 0.00 0.00 46.19 43.76 3gbv s LEU 285 CO -0.00 -0.17 -0.14 -0.63 1.01 0.00 0.00 176.35 176.42 3gbv s ILE 286 N -2.17 1.37 0.27 -0.59 1.01 -0.98 -0.07 121.20 120.03 3gbv s ILE 286 Ca 0.36 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3gbv s ILE 286 Cb -0.07 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3gbv s ILE 286 CO 0.26 0.41 0.13 0.61 0.00 0.00 0.00 174.94 176.35 3gbv n GLY 287 N 4.09 3.44 3.35 6.18 0.00 -0.35 -2.50 105.19 119.41 3gbv n GLY 287 Ca -0.20 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.69 2.25 0.30 1.61 2.02 -1.26 -0.78 117.35 118.80 3gbv s TYR 288 Ca 0.18 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3gbv s TYR 288 Cb 0.01 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 3gbv s TYR 288 CO 0.13 0.20 0.00 -0.25 -1.57 0.00 0.00 175.55 174.06 3gbv n ASP 289 N 1.44 -4.59 -2.14 2.29 8.00 0.18 -4.55 116.55 117.18 3gbv n ASP 289 Ca -0.17 0.90 -0.20 0.00 0.71 0.00 0.00 54.79 56.03 3gbv n ASP 289 Cb 0.52 -2.15 -0.03 0.00 -0.02 0.00 0.00 41.12 39.44 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 -1.77 6.27 -4.74 0.64 4.32 -1.26 -4.77 117.00 115.69 3gbv n LEU 290 Ca 0.00 -3.56 -0.35 0.00 -0.02 0.00 0.00 56.01 52.07 3gbv n LEU 290 Cb 0.18 -1.18 0.06 0.00 -1.62 0.00 0.00 43.42 40.87 3gbv n LEU 290 CO 0.00 1.48 0.83 -0.76 -1.22 0.00 0.00 177.39 177.72 3gbv s LEU 291 N -1.67 3.50 0.28 2.23 1.02 -1.26 -4.78 118.68 118.01 3gbv s LEU 291 Ca 0.45 2.38 -0.03 0.00 0.02 0.00 0.00 54.13 56.95 3gbv s LEU 291 Cb 0.30 -4.59 0.41 0.00 0.02 0.00 0.00 46.19 42.32 3gbv s LEU 291 CO -0.10 -1.90 1.92 -0.08 0.02 0.00 0.00 176.35 176.22 3gbv h GLU 292 N 0.33 1.15 0.00 1.70 4.81 -1.94 -0.65 114.58 119.98 3gbv h GLU 292 Ca -0.49 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.58 3gbv h GLU 292 Cb 1.30 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3gbv h GLU 292 CO 0.53 0.76 -0.42 0.00 -0.73 0.00 0.00 179.01 179.15 3gbv h ARG 293 N 1.18 0.00 -0.18 1.92 3.08 -1.91 -1.74 114.38 116.73 3gbv h ARG 293 Ca 0.37 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.35 3gbv h ARG 293 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3gbv h ARG 293 CO -0.11 0.42 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.11 3gbv h ASN 294 N 0.00 0.48 -0.80 7.04 2.35 -1.51 -2.61 115.58 120.53 3gbv h ASN 294 Ca -0.00 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 3gbv h ASN 294 Cb 0.84 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 3gbv h ASN 294 CO 0.05 0.87 0.34 0.58 -1.65 0.00 0.00 177.43 177.62 3gbv h VAL 295 N 0.11 1.26 -0.55 2.81 2.07 -0.97 -0.30 116.25 120.68 3gbv h VAL 295 Ca 0.03 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3gbv h VAL 295 Cb 0.73 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3gbv h VAL 295 CO 0.05 0.33 0.37 0.74 0.02 0.00 0.00 177.57 179.07 3gbv h THR 296 N 1.16 1.14 -0.05 2.57 2.02 -1.30 0.22 112.91 118.67 3gbv h THR 296 Ca 0.27 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 3gbv h THR 296 Cb 0.18 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3gbv h THR 296 CO -0.03 0.14 -0.26 0.00 0.37 0.00 0.00 175.52 175.74 3gbv h LEU 298 N 0.08 0.64 -0.82 0.00 5.85 0.37 -1.69 115.31 119.73 3gbv h LEU 298 Ca 0.01 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 3gbv h LEU 298 Cb 0.51 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3gbv h LEU 298 CO 0.04 0.87 -0.36 0.11 -0.34 0.00 0.00 178.44 178.75 3gbv h LYS 299 N 0.40 0.00 0.00 1.25 1.57 0.04 -3.12 116.57 116.71 3gbv h LYS 299 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3gbv h LYS 299 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3gbv h LYS 299 CO 0.04 0.36 -0.56 0.93 -0.57 0.00 0.00 179.45 179.65 3gbv h GLU 300 N 0.00 0.00 0.00 3.15 5.08 -0.77 -3.49 114.58 118.55 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 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3gbv h GLU 300 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 3gbv n GLY 301 N 1.33 0.28 0.17 -3.84 0.00 -0.70 -4.95 105.19 97.48 3gbv n GLY 301 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 1.37 -3.36 2.61 1.35 -1.69 -3.42 112.91 109.78 3gbv h THR 302 Ca 0.00 -1.85 -0.65 0.00 -0.55 0.00 0.00 66.41 63.36 3gbv h THR 302 Cb 0.00 1.93 -0.20 0.00 -1.73 0.00 0.00 68.15 68.15 3gbv h THR 302 CO 0.00 0.54 -0.66 -0.69 -0.25 0.00 0.00 175.52 174.46 3gbv s VAL 303 N -3.85 3.93 -0.16 6.82 1.01 -0.97 -1.50 120.40 125.69 3gbv s VAL 303 Ca -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3gbv s VAL 303 Cb 0.13 -2.70 -0.23 0.00 0.00 0.00 0.00 36.38 33.57 3gbv s VAL 303 CO 0.78 0.52 0.21 -1.20 0.00 0.00 0.00 175.10 175.41 3gbv n SER 304 N 3.18 1.95 -3.98 3.32 7.64 0.90 -4.34 113.62 122.29 3gbv n SER 304 Ca -0.18 0.12 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 3gbv n SER 304 Cb 0.53 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.97 3gbv n SER 304 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gbv s PHE 305 N -2.55 0.30 -0.03 1.43 0.08 -1.22 -4.61 117.98 111.39 3gbv s PHE 305 Ca -0.24 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 56.37 3gbv s PHE 305 Cb 0.07 -0.21 -0.00 0.00 -0.57 0.00 0.00 43.02 42.32 3gbv s PHE 305 CO 0.73 -0.16 -0.13 -0.51 -0.10 0.00 0.00 175.22 175.05 3gbv s LEU 306 N -1.33 1.88 -0.21 -0.37 1.43 -0.88 -1.21 118.68 117.99 3gbv s LEU 306 Ca -0.14 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3gbv s LEU 306 Cb -0.09 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3gbv s LEU 306 CO -0.01 0.12 0.05 -0.63 0.23 0.00 0.00 176.35 176.11 3gbv s ILE 307 N 0.03 4.35 0.26 -0.59 1.01 0.04 -0.91 121.20 125.38 3gbv s ILE 307 Ca -0.02 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.53 3gbv s ILE 307 Cb -0.09 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3gbv s ILE 307 CO 0.01 0.40 0.18 0.00 0.00 0.00 0.00 174.94 175.53 3gbv s ALA 308 N 1.02 3.55 -0.01 9.38 0.00 -0.05 0.52 121.76 136.18 3gbv s ALA 308 Ca 0.03 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.55 3gbv s ALA 308 Cb -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3gbv s ALA 308 CO 0.03 0.24 0.79 0.00 0.00 0.00 0.00 175.76 176.82 3gbv n GLN 309 N -1.16 0.40 -3.33 0.00 10.64 -1.26 -2.22 117.38 120.45 3gbv n GLN 309 Ca -0.07 -0.96 -0.09 0.00 -1.83 0.00 0.00 57.00 54.04 3gbv n GLN 309 Cb 0.58 -0.63 0.00 0.00 -0.86 0.00 0.00 30.24 29.33 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 -0.17 -1.40 -0.12 2.61 6.02 -1.26 -4.66 117.38 118.39 3gbv n GLN 310 Ca 0.01 1.22 -0.02 0.00 -0.01 0.00 0.00 57.00 58.20 3gbv n GLN 310 Cb 0.56 -4.53 0.22 0.00 1.02 0.00 0.00 30.24 27.51 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 0.15 0.81 -0.16 -1.09 0.13 -1.95 -2.51 132.00 127.38 3gbv h PRO 311 Ca -0.24 -0.15 0.04 0.00 -0.87 0.00 0.00 66.00 64.79 3gbv h PRO 311 Cb 1.15 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.10 3gbv h PRO 311 CO 0.33 0.70 -0.13 0.93 -0.23 0.00 0.00 178.00 179.60 3gbv h GLU 312 N 0.79 -0.14 -0.20 0.86 3.07 -1.89 -1.94 114.58 115.13 3gbv h GLU 312 Ca 0.18 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 3gbv h GLU 312 Cb 0.23 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3gbv h GLU 312 CO -0.01 -0.10 -0.12 1.25 -1.40 0.00 0.00 179.01 178.64 3gbv h LEU 313 N -0.15 0.30 -0.74 1.33 5.85 -1.85 -1.50 115.31 118.55 3gbv h LEU 313 Ca 0.10 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3gbv h LEU 313 Cb 0.30 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3gbv h LEU 313 CO -0.25 0.45 0.11 1.56 -0.34 0.00 0.00 178.44 179.97 3gbv h GLN 314 N 0.30 1.08 -0.13 1.25 4.20 -0.94 0.16 115.11 121.03 3gbv h GLN 314 Ca 0.06 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.40 3gbv h GLN 314 Cb 0.39 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3gbv h GLN 314 CO 0.02 0.98 -0.29 0.78 -0.67 0.00 0.00 178.83 179.66 3gbv h GLY 315 N 1.05 0.46 0.69 3.46 0.00 -1.04 -2.04 103.07 105.64 3gbv h GLY 315 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3gbv h GLY 315 CO 0.01 0.50 -0.19 -2.75 0.00 0.00 0.00 176.54 174.11 3gbv h PHE 316 N 0.00 -0.50 -0.51 5.60 3.57 -1.14 -2.57 116.94 121.38 3gbv h PHE 316 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3gbv h PHE 316 Cb 0.89 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 3gbv h PHE 316 CO 0.11 -0.28 0.34 -0.91 -2.23 0.00 0.00 178.31 175.33 3gbv h ASN 317 N -0.38 0.53 -0.17 0.41 4.21 -0.72 -1.36 115.58 118.12 3gbv h ASN 317 Ca 0.02 -0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.54 3gbv h ASN 317 Cb 0.39 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 3gbv h ASN 317 CO -0.09 0.38 0.02 0.28 -1.29 0.00 0.00 177.43 176.72 3gbv h SER 318 N 0.63 -0.03 -0.41 5.81 0.02 -0.96 0.11 113.55 118.72 3gbv h SER 318 Ca 0.20 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3gbv h SER 318 Cb 0.03 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3gbv h SER 318 CO -0.05 0.01 -0.10 0.40 -1.14 0.00 0.00 176.83 175.96 3gbv h ILE 319 N 0.08 1.27 -0.32 3.27 1.08 -1.30 -2.31 117.51 119.28 3gbv h ILE 319 Ca 0.08 -1.19 0.03 0.00 -0.39 0.00 0.00 64.86 63.39 3gbv h ILE 319 Cb 0.08 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 3gbv h ILE 319 CO -0.11 0.40 0.13 0.50 -0.69 0.00 0.00 178.15 178.37 3gbv h LYS 320 N 0.61 0.27 -1.00 2.37 3.64 -0.97 0.01 116.57 121.50 3gbv h LYS 320 Ca 0.10 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3gbv h LYS 320 Cb 0.62 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 3gbv h LYS 320 CO 0.04 0.18 0.65 1.15 -2.27 0.00 0.00 179.45 179.20 3gbv h THR 321 N 0.28 1.19 -0.52 1.00 2.02 -0.67 -1.10 112.91 115.11 3gbv h THR 321 Ca 0.14 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 3gbv h THR 321 Cb 0.09 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 3gbv h THR 321 CO -0.13 0.23 -0.17 -0.07 0.37 0.00 0.00 175.52 175.76 3gbv h LEU 322 N 1.28 1.04 0.61 2.58 3.38 -0.84 -2.38 115.31 120.98 3gbv h LEU 322 Ca 0.39 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3gbv h LEU 322 Cb -0.03 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.44 3gbv h LEU 322 CO -0.12 1.18 -0.29 0.00 0.09 0.00 0.00 178.44 179.30 3gbv n ASP 324 N -5.40 0.00 -0.08 0.00 3.85 -0.48 0.88 116.55 115.32 3gbv n ASP 324 Ca -0.13 0.45 -0.22 0.00 -0.71 0.00 0.00 54.79 54.19 3gbv n ASP 324 Cb 0.35 -0.48 -0.12 0.00 -1.35 0.00 0.00 41.12 39.52 3gbv n ASP 324 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3gbv h HIS 325 N 0.00 0.12 0.13 2.11 2.76 -1.22 1.89 115.15 120.93 3gbv h HIS 325 Ca 0.00 -0.09 -0.24 0.00 -2.20 0.00 0.00 60.37 57.84 3gbv h HIS 325 Cb 0.27 -0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.23 3gbv h HIS 325 CO 0.00 1.54 -1.15 -0.07 -1.30 0.00 0.00 177.93 176.95 3gbv h LEU 326 N -0.75 0.42 0.00 0.26 3.38 -0.95 -3.22 115.31 114.44 3gbv h LEU 326 Ca -0.35 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 56.69 3gbv h LEU 326 Cb 1.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3gbv h LEU 326 CO -0.13 1.52 -0.47 0.40 0.09 0.00 0.00 178.44 179.85 3gbv h ILE 327 N -0.34 0.28 -0.01 1.22 2.04 0.34 -3.38 117.51 117.66 3gbv h ILE 327 Ca -0.23 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3gbv h ILE 327 Cb 1.71 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3gbv h ILE 327 CO 0.10 0.10 0.00 0.49 0.00 0.00 0.00 178.15 178.83 3gbv n PHE 328 N -4.63 0.01 -4.26 1.37 3.72 -0.84 -4.90 117.46 107.93 3gbv n PHE 328 Ca -0.10 -0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.94 3gbv n PHE 328 Cb 0.28 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.80 -2.46 -2.88 -1.08 5.12 -0.78 -4.89 116.66 108.90 3gbv n ARG 329 Ca 0.19 0.30 -0.21 0.00 -1.93 0.00 0.00 57.85 56.20 3gbv n ARG 329 Cb 0.11 -4.78 0.02 0.00 -1.16 0.00 0.00 32.46 26.65 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 -6.99 2.82 0.19 5.56 1.02 0.63 -4.97 119.74 118.01 3gbv s LYS 330 Ca 0.57 -0.73 -0.15 0.00 0.02 0.00 0.00 55.97 55.69 3gbv s LYS 330 Cb -0.32 -2.57 -0.07 0.00 -0.52 0.00 0.00 37.83 34.35 3gbv s LYS 330 CO 0.95 -0.44 0.61 -2.00 -0.92 0.00 0.00 175.35 173.55 3gbv s GLU 331 N -4.60 4.02 -0.01 1.68 2.56 -1.26 -4.47 118.70 116.62 3gbv s GLU 331 Ca 0.53 0.56 -0.01 0.00 0.00 0.00 0.00 54.97 56.05 3gbv s GLU 331 Cb -0.10 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.20 3gbv s GLU 331 CO 0.37 0.40 0.04 0.14 -0.56 0.00 0.00 175.26 175.65 3gbv s VAL 332 N -1.58 0.01 0.31 3.70 -7.23 -1.26 -4.99 120.40 109.36 3gbv s VAL 332 Ca 0.42 -0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 3gbv s VAL 332 Cb -0.14 -0.09 -0.10 0.00 0.56 0.00 0.00 36.38 36.61 3gbv s VAL 332 CO 0.20 -0.05 1.15 0.00 -0.31 0.00 0.00 175.10 176.09 3gbv s ALA 333 N -0.13 3.39 -0.06 1.32 0.00 -1.26 -4.97 121.76 120.04 3gbv s ALA 333 Ca -0.02 0.98 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 3gbv s ALA 333 Cb -0.01 -3.37 -0.23 0.00 0.00 0.00 0.00 23.12 19.51 3gbv s ALA 333 CO 0.00 -0.32 1.02 0.00 0.00 0.00 0.00 175.76 176.46 3gbv s THR 335 N -3.12 5.31 -0.49 0.00 -4.23 -1.26 0.18 115.64 112.03 3gbv s THR 335 Ca -0.16 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 3gbv s THR 335 Cb 0.00 -3.55 0.14 0.00 1.34 0.00 0.00 72.50 70.43 3gbv s THR 335 CO 0.73 0.28 0.28 0.20 -0.54 0.00 0.00 174.62 175.56 3gbv s ASN 336 N 1.43 3.82 1.08 3.99 0.01 0.21 -4.95 114.94 120.53 3gbv s ASN 336 Ca 0.09 -2.89 -0.15 0.00 -0.71 0.00 0.00 52.86 49.20 3gbv s ASN 336 Cb -0.15 -1.22 0.21 0.00 0.41 0.00 0.00 41.25 40.50 3gbv s ASN 336 CO 0.08 -0.23 0.99 -1.22 -1.51 0.00 0.00 177.10 175.21 3gbv n TYR 337 N 3.21 -3.88 -4.01 2.20 4.01 -1.26 -2.49 117.16 114.95 3gbv n TYR 337 Ca 0.10 -0.88 -0.23 0.00 -0.16 0.00 0.00 57.90 56.74 3gbv n TYR 337 Cb 0.35 -0.86 -0.03 0.00 -0.31 0.00 0.00 39.34 38.49 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 -5.18 3.29 -0.92 -0.72 0.04 -1.26 -4.93 135.00 125.31 3gbv s PRO 339 Ca 0.59 -0.80 -0.02 0.00 0.04 0.00 0.00 61.00 60.80 3gbv s PRO 339 Cb -0.03 -2.81 0.23 0.00 0.04 0.00 0.00 34.50 31.92 3gbv s PRO 339 CO 0.43 0.44 0.83 0.42 0.04 0.00 0.00 177.00 179.16 3gbv s ILE 340 N -1.95 4.55 0.02 0.56 1.01 -1.26 -4.38 121.20 119.75 3gbv s ILE 340 Ca 0.34 -3.85 -0.30 0.00 0.00 0.00 0.00 60.65 56.84 3gbv s ILE 340 Cb -0.09 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3gbv s ILE 340 CO 0.28 -1.10 0.95 -1.81 0.00 0.00 0.00 174.94 173.26 3gbv s ASP 341 N -0.01 7.38 -0.24 3.58 1.01 -0.94 -4.91 116.67 122.53 3gbv s ASP 341 Ca 0.28 1.66 -0.10 0.00 0.71 0.00 0.00 52.55 55.10 3gbv s ASP 341 Cb -0.07 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3gbv s ASP 341 CO -0.12 -0.20 0.15 -0.22 0.21 0.00 0.00 175.17 174.99 3gbv s LEU 342 N 0.72 4.09 0.03 1.23 2.96 -1.26 -0.87 118.68 125.58 3gbv s LEU 342 Ca 0.50 0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.59 3gbv s LEU 342 Cb -0.21 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3gbv s LEU 342 CO 0.28 0.07 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.37 3gbv s LEU 343 N 1.04 2.13 0.33 -0.68 1.43 -0.09 -5.00 118.68 117.85 3gbv s LEU 343 Ca 0.07 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3gbv s LEU 343 Cb -0.13 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 3gbv s LEU 343 CO 0.04 0.25 0.10 0.42 0.23 0.00 0.00 176.35 177.40 3gbv s THR 344 N -0.74 0.74 0.37 5.49 -4.23 -1.26 -2.07 115.64 113.93 3gbv s THR 344 Ca 0.10 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 3gbv s THR 344 Cb -0.10 -2.58 0.29 0.00 1.34 0.00 0.00 72.50 71.45 3gbv s THR 344 CO 0.01 0.00 1.98 0.50 -0.54 0.00 0.00 174.62 176.57 3gbv h LYS 345 N 2.09 0.71 0.00 3.99 3.64 -1.81 -1.06 116.57 124.13 3gbv h LYS 345 Ca -0.37 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3gbv h LYS 345 Cb 1.25 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3gbv h LYS 345 CO 0.61 0.47 0.00 0.39 -2.27 0.00 0.00 179.45 178.65 3gbv n GLU 346 N -4.47 0.01 0.00 1.90 4.71 -1.26 -3.91 120.64 117.62 3gbv n GLU 346 Ca 0.09 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 3gbv n GLU 346 Cb 0.20 -1.52 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 -1.54 0.23 -0.25 1.62 2.04 -0.95 -4.84 115.26 111.57 3gbv n ASN 347 Ca 0.06 -0.61 0.08 0.00 -0.44 0.00 0.00 54.58 53.66 3gbv n ASN 347 Cb 0.29 0.23 0.32 0.00 -2.53 0.00 0.00 39.78 38.09 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 0.27 0.97 0.00 1.53 6.09 -1.32 -1.85 117.51 123.19 3gbv h ILE 348 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 3gbv h ILE 348 Cb 0.13 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.50 3gbv h ILE 348 CO 0.00 0.15 0.00 0.47 -3.07 0.00 0.00 178.15 175.70 3gbv n ASP 349 N -4.52 0.29 -0.72 2.19 8.00 -1.26 -2.93 116.55 117.60 3gbv n ASP 349 Ca 0.14 0.56 0.07 0.00 0.71 0.00 0.00 54.79 56.27 3gbv n ASP 349 Cb 0.31 -0.62 0.13 0.00 -0.02 0.00 0.00 41.12 40.91 3gbv n ASP 349 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3gbv n TYR 350 N -1.80 0.30 -3.23 1.24 4.01 -0.70 -4.97 117.16 112.00 3gbv n TYR 350 Ca 0.04 -0.25 -0.38 0.00 -0.16 0.00 0.00 57.90 57.15 3gbv n TYR 350 Cb 0.25 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.12 3.78 0.00 -0.72 5.04 -1.15 -5.15 117.35 118.03 3gbv s TYR 351 Ca 0.24 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 3gbv s TYR 351 Cb 0.14 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.93 3gbv s TYR 351 CO 0.20 0.54 0.00 0.72 -1.34 0.00 0.00 175.55 175.66