#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fi8 h LYS 80 N 0.00 1.04 0.16 0.00 1.79 -2.07 0.85 116.57 118.34 3fi8 h LYS 80 Ca 0.00 -0.06 -0.29 0.00 -2.18 0.00 0.00 60.65 58.12 3fi8 h LYS 80 Cb 0.00 -0.23 0.02 0.00 -1.58 0.00 0.00 32.23 30.43 3fi8 h LYS 80 CO 0.00 0.69 -1.30 -0.07 -1.08 0.00 0.00 179.45 177.69 3fi8 h LEU 81 N 1.07 0.57 0.05 2.94 3.38 -2.05 -3.37 115.31 117.89 3fi8 h LEU 81 Ca 0.42 -0.60 -0.27 0.00 0.09 0.00 0.00 57.88 57.52 3fi8 h LEU 81 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fi8 h LEU 81 CO -0.17 1.46 -1.37 0.71 0.09 0.00 0.00 178.44 179.16 3fi8 h THR 82 N 0.11 1.30 -0.60 0.22 1.35 -1.91 -3.38 112.91 110.00 3fi8 h THR 82 Ca -0.17 -3.01 0.09 0.00 -0.55 0.00 0.00 66.41 62.78 3fi8 h THR 82 Cb 2.01 2.73 -0.07 0.00 -1.73 0.00 0.00 68.15 71.09 3fi8 h THR 82 CO 0.22 0.81 0.21 0.44 -0.25 0.00 0.00 175.52 176.96 3fi8 h ASP 83 N 0.03 0.20 -0.89 5.36 3.32 0.56 -3.10 116.42 121.90 3fi8 h ASP 83 Ca -0.17 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.02 3fi8 h ASP 83 Cb 1.93 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 41.49 3fi8 h ASP 83 CO 0.14 0.12 0.56 -0.65 -1.72 0.00 0.00 179.24 177.68 3fi8 h PRO 84 N 0.39 0.99 -0.62 3.56 0.11 -1.76 -1.76 132.00 132.91 3fi8 h PRO 84 Ca 0.31 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 3fi8 h PRO 84 Cb 0.38 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 3fi8 h PRO 84 CO -0.31 0.66 0.35 -0.07 -0.21 0.00 0.00 178.00 178.41 3fi8 h LEU 85 N 1.02 0.77 -0.35 2.35 4.07 -1.78 0.19 115.31 121.58 3fi8 h LEU 85 Ca 0.38 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 3fi8 h LEU 85 Cb 0.16 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 3fi8 h LEU 85 CO -0.17 0.64 0.20 0.22 -1.08 0.00 0.00 178.44 178.25 3fi8 h TYR 86 N 0.85 0.47 0.07 1.13 3.20 -1.51 -2.30 116.97 118.88 3fi8 h TYR 86 Ca 0.22 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3fi8 h TYR 86 Cb 0.03 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3fi8 h TYR 86 CO -0.01 0.37 -0.03 0.82 -1.64 0.00 0.00 178.16 177.67 3fi8 h ILE 87 N 0.44 1.05 -0.65 1.81 2.04 -0.79 -2.76 117.51 118.66 3fi8 h ILE 87 Ca 0.12 -0.39 0.14 0.00 1.00 0.00 0.00 64.86 65.73 3fi8 h ILE 87 Cb 0.05 1.31 -0.11 0.00 -0.74 0.00 0.00 36.82 37.33 3fi8 h ILE 87 CO -0.02 0.10 0.04 0.11 0.00 0.00 0.00 178.15 178.38 3fi8 h LYS 88 N -0.26 0.15 -0.53 2.37 1.57 -0.55 -1.66 116.57 117.65 3fi8 h LYS 88 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fi8 h LYS 88 Cb 0.23 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3fi8 h LYS 88 CO 0.01 0.10 0.32 0.87 -0.57 0.00 0.00 179.45 180.19 3fi8 h LYS 89 N 0.15 0.72 -0.38 3.15 1.79 -1.24 -1.63 116.57 119.14 3fi8 h LYS 89 Ca 0.35 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.73 3fi8 h LYS 89 Cb 0.57 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3fi8 h LYS 89 CO -0.53 0.52 0.16 0.82 -1.08 0.00 0.00 179.45 179.34 3fi8 h ILE 90 N 0.72 1.19 -0.54 1.86 2.04 -1.18 -3.06 117.51 118.54 3fi8 h ILE 90 Ca 0.19 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 3fi8 h ILE 90 Cb -0.02 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3fi8 h ILE 90 CO -0.04 0.21 -0.09 0.00 0.00 0.00 0.00 178.15 178.23 3fi8 h LEU 92 N 0.89 0.63 0.00 0.00 4.07 -1.30 -0.82 115.31 118.79 3fi8 h LEU 92 Ca 0.14 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3fi8 h LEU 92 Cb 0.66 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.38 3fi8 h LEU 92 CO 0.05 0.19 -1.02 -1.84 -1.08 0.00 0.00 178.44 174.74 3fi8 n GLU 93 N -4.70 0.02 0.00 1.13 0.28 -0.88 -1.87 120.64 114.63 3fi8 n GLU 93 Ca 0.24 -0.01 0.04 0.00 -0.16 0.00 0.00 57.16 57.27 3fi8 n GLU 93 Cb 0.68 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 32.08 3fi8 n GLU 93 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3fi8 n LYS 94 N -1.53 0.79 -4.92 3.44 4.76 -0.23 -4.93 118.16 115.54 3fi8 n LYS 94 Ca 0.04 -0.86 -0.32 0.00 -2.87 0.00 0.00 58.31 54.30 3fi8 n LYS 94 Cb 0.34 -1.12 -0.16 0.00 -1.84 0.00 0.00 35.03 32.25 3fi8 n LYS 94 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fi8 s VAL 95 N -0.84 2.37 0.23 -0.18 1.01 -0.37 -4.74 120.40 117.89 3fi8 s VAL 95 Ca 0.09 -0.90 -0.32 0.00 0.00 0.00 0.00 61.98 60.86 3fi8 s VAL 95 Cb 0.07 -1.95 -0.12 0.00 0.00 0.00 0.00 36.38 34.37 3fi8 s VAL 95 CO 0.13 0.54 1.60 1.57 0.00 0.00 0.00 175.10 178.94 3fi8 n HIS 96 N 3.70 2.59 0.00 5.22 -0.00 -1.26 -2.11 115.22 123.36 3fi8 n HIS 96 Ca -0.19 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.21 3fi8 n HIS 96 Cb 0.52 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 3fi8 n HIS 96 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3fi8 n ASP 97 N 2.95 0.00 0.24 0.26 9.92 -1.26 -4.86 116.55 123.80 3fi8 n ASP 97 Ca 0.13 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.48 3fi8 n ASP 97 Cb 0.34 -0.25 0.60 0.00 -0.64 0.00 0.00 41.12 41.17 3fi8 n ASP 97 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 3fi8 h TRP 98 N 0.00 0.00 0.00 1.24 4.06 -1.64 -2.55 115.95 117.07 3fi8 h TRP 98 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3fi8 h TRP 98 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3fi8 h TRP 98 CO 0.00 0.18 0.00 -1.13 -3.56 0.00 0.00 178.44 173.93 3fi8 n SER 99 N -3.81 0.00 0.25 -3.49 3.41 -0.78 -0.52 113.62 108.68 3fi8 n SER 99 Ca -0.02 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 3fi8 n SER 99 Cb 0.28 -0.43 0.65 0.00 -0.26 0.00 0.00 64.21 64.45 3fi8 n SER 99 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3fi8 h ARG 100 N 0.00 0.00 -7.21 4.33 2.43 -1.76 -3.45 114.38 108.72 3fi8 h ARG 100 Ca 0.00 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.71 3fi8 h ARG 100 Cb 0.23 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 29.86 3fi8 h ARG 100 CO 0.00 0.15 0.15 0.00 -1.51 0.00 0.00 179.97 178.77 3fi8 s ASN 102 N -4.66 4.09 0.63 0.00 2.20 -1.26 -5.04 114.94 110.91 3fi8 s ASN 102 Ca 0.64 -1.27 0.27 0.00 -0.94 0.00 0.00 52.86 51.56 3fi8 s ASN 102 Cb -0.07 -0.40 1.39 0.00 -2.00 0.00 0.00 41.25 40.17 3fi8 s ASN 102 CO 0.45 -0.50 1.80 1.05 -2.94 0.00 0.00 177.10 176.96 3fi8 h GLU 103 N 1.62 0.00 0.00 3.55 4.11 -1.95 -0.79 114.58 121.12 3fi8 h GLU 103 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 3fi8 h GLU 103 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3fi8 h GLU 103 CO 0.77 0.00 -0.05 -0.44 0.07 0.00 0.00 179.01 179.35 3fi8 h ASP 104 N 0.00 0.00 0.61 3.06 3.32 -2.02 -3.23 116.42 118.16 3fi8 h ASP 104 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3fi8 h ASP 104 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3fi8 h ASP 104 CO -0.00 0.05 -0.55 0.47 -1.72 0.00 0.00 179.24 177.49 3fi8 n ASP 105 N -3.12 0.54 -4.80 6.45 8.00 -0.30 -4.90 116.55 118.42 3fi8 n ASP 105 Ca 0.03 -0.13 -0.36 0.00 0.71 0.00 0.00 54.79 55.04 3fi8 n ASP 105 Cb 0.52 0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.79 3fi8 n ASP 105 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3fi8 s VAL 106 N -3.06 5.39 -0.24 2.53 0.11 -1.22 -1.49 120.40 122.43 3fi8 s VAL 106 Ca 0.09 0.34 -0.06 0.00 -2.93 0.00 0.00 61.98 59.43 3fi8 s VAL 106 Cb 0.16 -3.50 -0.02 0.00 -1.53 0.00 0.00 36.38 31.50 3fi8 s VAL 106 CO 0.71 0.52 0.02 0.00 -3.33 0.00 0.00 175.10 173.01 3fi8 s VAL 108 N 1.55 4.61 -0.13 0.00 1.01 -1.26 -0.50 120.40 125.68 3fi8 s VAL 108 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3fi8 s VAL 108 Cb -0.15 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.23 3fi8 s VAL 108 CO 0.00 0.49 0.07 0.20 0.00 0.00 0.00 175.10 175.87 3fi8 s ASN 109 N 0.17 2.00 0.22 3.32 0.01 -0.12 -5.00 114.94 115.54 3fi8 s ASN 109 Ca 0.03 -0.41 -0.30 0.00 -0.71 0.00 0.00 52.86 51.47 3fi8 s ASN 109 Cb -0.13 -0.24 -0.10 0.00 0.41 0.00 0.00 41.25 41.20 3fi8 s ASN 109 CO 0.01 -0.31 1.43 -1.58 -1.51 0.00 0.00 177.10 175.14 3fi8 s GLN 110 N 2.12 4.28 0.27 -0.60 0.74 -1.26 0.30 119.66 125.53 3fi8 s GLN 110 Ca 0.03 2.25 0.08 0.00 0.05 0.00 0.00 55.36 57.77 3fi8 s GLN 110 Cb -0.15 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 3fi8 s GLN 110 CO -0.07 -0.41 0.12 0.96 -0.55 0.00 0.00 175.29 175.33 3fi8 s ILE 111 N 0.20 3.81 0.37 -2.34 -4.36 -0.29 -4.85 121.20 113.74 3fi8 s ILE 111 Ca 0.60 -1.64 -0.26 0.00 -0.26 0.00 0.00 60.65 59.09 3fi8 s ILE 111 Cb -0.41 -3.11 -0.09 0.00 1.25 0.00 0.00 42.46 40.10 3fi8 s ILE 111 CO 0.40 -0.33 1.15 -1.48 0.24 0.00 0.00 174.94 174.93 3fi8 s LEU 112 N -3.79 4.28 0.00 0.37 2.34 -1.26 -4.41 118.68 116.21 3fi8 s LEU 112 Ca 0.34 2.32 -0.06 0.00 0.06 0.00 0.00 54.13 56.78 3fi8 s LEU 112 Cb -0.06 -3.93 0.02 0.00 -0.56 0.00 0.00 46.19 41.66 3fi8 s LEU 112 CO 0.23 -0.52 0.47 -1.54 -1.06 0.00 0.00 176.35 173.93 3fi8 n SER 113 N 0.36 -1.35 -4.46 1.48 3.41 -1.26 -4.96 113.62 106.85 3fi8 n SER 113 Ca 0.03 -2.28 -0.29 0.00 -0.26 0.00 0.00 58.87 56.07 3fi8 n SER 113 Cb 0.46 2.35 0.14 0.00 -0.26 0.00 0.00 64.21 66.90 3fi8 n SER 113 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fi8 s GLY 114 N -2.56 1.71 0.13 5.00 0.00 -1.26 -4.98 107.32 105.36 3fi8 s GLY 114 Ca 0.16 -1.02 0.25 0.00 0.00 0.00 0.00 44.72 44.11 3fi8 s GLY 114 CO 0.12 -0.38 1.77 1.04 0.00 0.00 0.00 173.10 175.66 3fi8 n LEU 115 N -3.53 0.43 0.19 0.66 4.32 -1.26 -3.48 117.00 114.33 3fi8 n LEU 115 Ca 0.12 0.56 0.07 0.00 -0.02 0.00 0.00 56.01 56.75 3fi8 n LEU 115 Cb 0.60 -0.44 0.26 0.00 -1.62 0.00 0.00 43.42 42.22 3fi8 n LEU 115 CO 0.50 -0.20 0.68 0.00 -1.22 0.00 0.00 177.39 177.15 3fi8 h THR 116 N 0.00 0.61 -3.82 -5.08 1.03 -1.94 -3.46 112.91 100.25 3fi8 h THR 116 Ca 0.00 -1.52 -0.09 0.00 -0.01 0.00 0.00 66.41 64.79 3fi8 h THR 116 Cb 0.54 2.04 -0.14 0.00 -1.07 0.00 0.00 68.15 69.52 3fi8 h THR 116 CO 0.00 0.30 -0.35 0.54 -0.01 0.00 0.00 175.52 176.00 3fi8 s ASN 117 N -6.29 0.09 -0.06 0.00 6.03 -1.23 -4.76 114.94 108.72 3fi8 s ASN 117 Ca 0.03 -0.70 -0.01 0.00 -1.03 0.00 0.00 52.86 51.15 3fi8 s ASN 117 Cb 0.09 0.37 -0.03 0.00 -3.03 0.00 0.00 41.25 38.64 3fi8 s ASN 117 CO 0.68 -0.77 -0.00 -1.10 -2.03 0.00 0.00 177.10 173.88 3fi8 s GLN 118 N -3.89 2.92 0.02 3.55 -0.21 -0.27 -4.43 119.66 117.35 3fi8 s GLN 118 Ca 0.08 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 55.03 3fi8 s GLN 118 Cb 0.04 -2.75 -0.02 0.00 1.00 0.00 0.00 33.01 31.29 3fi8 s GLN 118 CO -0.08 0.68 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.15 3fi8 s LEU 119 N -1.03 2.11 -0.00 2.90 1.02 -1.26 -0.85 118.68 121.57 3fi8 s LEU 119 Ca 0.15 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.96 3fi8 s LEU 119 Cb -0.11 -0.50 0.00 0.00 0.02 0.00 0.00 46.19 45.60 3fi8 s LEU 119 CO 0.04 0.04 -0.01 -0.36 0.02 0.00 0.00 176.35 176.08 3fi8 s PHE 120 N -0.64 0.11 -0.34 0.29 0.08 -0.63 -1.13 117.98 115.71 3fi8 s PHE 120 Ca 0.01 -0.00 -0.28 0.00 0.12 0.00 0.00 56.93 56.78 3fi8 s PHE 120 Cb -0.06 -0.11 0.02 0.00 -0.57 0.00 0.00 43.02 42.30 3fi8 s PHE 120 CO 0.00 -0.02 1.04 -2.00 -0.10 0.00 0.00 175.22 174.14 3fi8 s GLU 121 N 0.16 4.00 -0.18 0.44 2.12 0.15 -1.73 118.70 123.66 3fi8 s GLU 121 Ca -0.01 0.93 -0.06 0.00 0.36 0.00 0.00 54.97 56.19 3fi8 s GLU 121 Cb -0.03 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3fi8 s GLU 121 CO -0.00 -0.93 0.02 0.08 -0.54 0.00 0.00 175.26 173.89 3fi8 s VAL 122 N 3.64 4.38 0.18 3.70 1.01 -0.73 -0.94 120.40 131.64 3fi8 s VAL 122 Ca 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3fi8 s VAL 122 Cb -0.12 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3fi8 s VAL 122 CO 0.17 0.46 0.05 -0.94 0.00 0.00 0.00 175.10 174.84 3fi8 s SER 123 N 0.53 0.80 0.05 3.32 1.04 0.35 -0.91 113.70 118.87 3fi8 s SER 123 Ca 0.01 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.22 3fi8 s SER 123 Cb -0.13 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3fi8 s SER 123 CO 0.02 -0.69 0.00 -0.63 0.98 0.00 0.00 173.24 172.92 3fi8 s ILE 124 N -3.86 4.08 -1.76 -1.02 1.01 -0.50 0.95 121.20 120.10 3fi8 s ILE 124 Ca 0.29 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3fi8 s ILE 124 Cb 0.07 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3fi8 s ILE 124 CO 0.06 0.24 0.09 1.17 0.00 0.00 0.00 174.94 176.50 3fi8 n LYS 125 N 0.94 0.10 0.00 2.79 4.81 -0.55 -4.73 118.16 121.52 3fi8 n LYS 125 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 3fi8 n LYS 125 Cb 0.52 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.56 3fi8 n LYS 125 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3fi8 n GLU 126 N -0.27 0.00 0.05 1.64 0.00 -1.26 -4.03 120.64 116.77 3fi8 n GLU 126 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 3fi8 n GLU 126 Cb 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 31.44 31.21 3fi8 n GLU 126 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 3fi8 h ASP 127 N 0.00 0.90 0.04 -1.84 2.03 -1.99 -3.00 116.42 112.56 3fi8 h ASP 127 Ca 0.00 -0.76 -0.14 0.00 -0.73 0.00 0.00 57.03 55.40 3fi8 h ASP 127 Cb 0.00 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.21 3fi8 h ASP 127 CO 0.00 1.55 -0.45 0.74 -1.03 0.00 0.00 179.24 180.06 3fi8 h THR 128 N 0.35 1.31 -0.52 1.15 2.02 -1.92 0.28 112.91 115.58 3fi8 h THR 128 Ca -0.15 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.36 3fi8 h THR 128 Cb 1.75 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 3fi8 h THR 128 CO 0.21 0.51 0.17 0.00 0.37 0.00 0.00 175.52 176.78 3fi8 h ALA 129 N 1.12 0.69 -0.43 6.16 0.00 -1.85 0.65 119.26 125.60 3fi8 h ALA 129 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3fi8 h ALA 129 Cb 0.94 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3fi8 h ALA 129 CO 0.08 0.33 -0.22 -0.84 0.00 0.00 0.00 179.25 178.60 3fi8 h ILE 130 N 0.72 1.27 0.40 0.00 -2.65 -1.39 0.44 117.51 116.30 3fi8 h ILE 130 Ca 0.17 -1.36 -0.02 0.00 1.03 0.00 0.00 64.86 64.68 3fi8 h ILE 130 Cb 0.26 1.17 0.00 0.00 -2.05 0.00 0.00 36.82 36.21 3fi8 h ILE 130 CO -0.01 0.46 -0.19 1.05 0.03 0.00 0.00 178.15 179.49 3fi8 h GLU 131 N 0.76 -0.51 -0.58 0.16 -0.00 -0.19 -3.10 114.58 111.11 3fi8 h GLU 131 Ca 0.10 0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 3fi8 h GLU 131 Cb 0.76 0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.63 3fi8 h GLU 131 CO 0.06 -0.27 0.00 0.66 -0.00 0.00 0.00 179.01 179.46 3fi8 n TYR 132 N -5.27 0.72 -4.24 2.06 4.01 0.23 -4.92 117.16 109.75 3fi8 n TYR 132 Ca -0.11 -0.28 -0.35 0.00 -0.16 0.00 0.00 57.90 57.00 3fi8 n TYR 132 Cb 0.26 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 3fi8 n TYR 132 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3fi8 n ARG 133 N 0.40 -2.51 -3.02 -0.72 1.85 0.29 -4.91 116.66 108.04 3fi8 n ARG 133 Ca 0.12 0.31 -0.41 0.00 -1.00 0.00 0.00 57.85 56.87 3fi8 n ARG 133 Cb 0.50 -4.73 -0.05 0.00 -1.05 0.00 0.00 32.46 27.12 3fi8 n ARG 133 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3fi8 s ILE 134 N -3.56 4.95 -0.06 8.89 1.01 0.13 -4.97 121.20 127.60 3fi8 s ILE 134 Ca 0.51 1.37 -0.09 0.00 0.00 0.00 0.00 60.65 62.45 3fi8 s ILE 134 Cb -0.29 -4.03 -0.29 0.00 0.01 0.00 0.00 42.46 37.87 3fi8 s ILE 134 CO 0.95 0.06 0.60 0.71 0.00 0.00 0.00 174.94 177.26 3fi8 h THR 135 N 5.22 0.86 -3.26 2.92 1.35 -1.91 -3.43 112.91 114.66 3fi8 h THR 135 Ca -0.30 -2.49 -0.64 0.00 -0.55 0.00 0.00 66.41 62.43 3fi8 h THR 135 Cb 1.13 2.69 -0.14 0.00 -1.73 0.00 0.00 68.15 70.10 3fi8 h THR 135 CO 0.80 0.86 0.37 -0.60 -0.25 0.00 0.00 175.52 176.71 3fi8 s ARG 136 N -2.58 3.27 0.04 4.72 3.52 -1.26 -4.89 118.95 121.76 3fi8 s ARG 136 Ca -0.17 -0.46 0.18 0.00 -0.13 0.00 0.00 55.73 55.15 3fi8 s ARG 136 Cb 0.06 -4.06 -0.16 0.00 -1.56 0.00 0.00 34.95 29.24 3fi8 s ARG 136 CO 0.83 -1.36 0.73 0.54 -0.81 0.00 0.00 175.30 175.23 3fi8 n ARG 137 N 6.96 0.63 -4.13 5.12 1.74 -1.26 -4.89 116.66 120.84 3fi8 n ARG 137 Ca -0.01 0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 57.07 3fi8 n ARG 137 Cb 0.47 -1.75 -0.12 0.00 -1.02 0.00 0.00 32.46 30.04 3fi8 n ARG 137 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fi8 s HIS 138 N -2.97 0.85 0.07 -1.55 3.76 -1.26 -1.42 115.29 112.77 3fi8 s HIS 138 Ca -0.04 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 3fi8 s HIS 138 Cb 0.09 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 3fi8 s HIS 138 CO 0.82 -0.03 -0.05 0.14 -0.85 0.00 0.00 174.74 174.77 3fi8 s VAL 139 N -1.20 0.45 -0.22 -0.90 -7.23 -0.09 -4.12 120.40 107.09 3fi8 s VAL 139 Ca -0.06 -1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 3fi8 s VAL 139 Cb -0.09 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 3fi8 s VAL 139 CO 0.01 -0.84 0.47 -0.22 -0.31 0.00 0.00 175.10 174.21 3fi8 s LEU 140 N -2.71 4.12 -0.32 1.32 2.96 -0.42 -1.77 118.68 121.86 3fi8 s LEU 140 Ca 0.05 0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 3fi8 s LEU 140 Cb 0.03 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 3fi8 s LEU 140 CO -0.06 -0.17 0.20 0.12 -1.32 0.00 0.00 176.35 175.11 3fi8 s PHE 141 N 1.73 3.20 -0.21 5.38 5.36 -0.71 -0.31 117.98 132.43 3fi8 s PHE 141 Ca 0.21 -0.28 -0.05 0.00 -0.96 0.00 0.00 56.93 55.85 3fi8 s PHE 141 Cb -0.15 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.09 3fi8 s PHE 141 CO 0.09 -0.36 0.01 0.50 -1.46 0.00 0.00 175.22 174.00 3fi8 s ARG 142 N 1.69 3.62 -0.19 10.12 3.52 0.32 -1.61 118.95 136.42 3fi8 s ARG 142 Ca 0.06 -0.52 -0.04 0.00 -0.13 0.00 0.00 55.73 55.10 3fi8 s ARG 142 Cb -0.17 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 3fi8 s ARG 142 CO 0.09 -0.02 -0.02 0.42 -0.81 0.00 0.00 175.30 174.96 3fi8 s ILE 143 N 1.08 3.76 0.38 4.11 1.01 -0.03 -0.93 121.20 130.59 3fi8 s ILE 143 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 3fi8 s ILE 143 Cb -0.14 -2.69 0.10 0.00 0.01 0.00 0.00 42.46 39.73 3fi8 s ILE 143 CO 0.02 0.44 0.34 -1.22 0.00 0.00 0.00 174.94 174.52 3fi8 n TYR 144 N 4.20 -3.25 0.00 3.97 0.53 -0.02 -1.11 117.16 121.49 3fi8 n TYR 144 Ca -0.17 -0.31 0.00 0.00 -1.02 0.00 0.00 57.90 56.40 3fi8 n TYR 144 Cb 0.52 -0.35 0.00 0.00 -1.03 0.00 0.00 39.34 38.47 3fi8 n TYR 144 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 3fi8 n PRO 154 N -2.56 0.00 -3.02 -0.72 -0.04 -1.26 -4.30 135.00 123.10 3fi8 n PRO 154 Ca 0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 3fi8 n PRO 154 Cb 0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.60 3fi8 n PRO 154 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fi8 s LEU 155 N 0.00 4.26 0.07 1.53 1.02 -1.26 -5.03 118.68 119.27 3fi8 s LEU 155 Ca 0.00 1.14 -0.31 0.00 0.02 0.00 0.00 54.13 54.98 3fi8 s LEU 155 Cb 0.00 -3.09 -0.10 0.00 0.02 0.00 0.00 46.19 43.02 3fi8 s LEU 155 CO 0.00 -0.20 1.89 -0.24 0.02 0.00 0.00 176.35 177.82 3fi8 n SER 156 N 4.26 4.01 -0.26 2.29 2.88 -1.26 -4.88 113.62 120.67 3fi8 n SER 156 Ca -0.00 0.96 0.06 0.00 -1.33 0.00 0.00 58.87 58.55 3fi8 n SER 156 Cb 0.51 -1.52 0.19 0.00 -0.75 0.00 0.00 64.21 62.64 3fi8 n SER 156 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3fi8 h GLU 157 N 9.30 0.41 -0.28 -1.46 4.22 -1.86 -2.41 114.58 122.50 3fi8 h GLU 157 Ca -0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 3fi8 h GLU 157 Cb 1.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3fi8 h GLU 157 CO 0.94 0.27 0.12 0.35 -2.18 0.00 0.00 179.01 178.51 3fi8 h PHE 158 N 0.42 0.41 -0.63 0.92 3.57 -1.93 0.17 116.94 119.87 3fi8 h PHE 158 Ca 0.42 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.91 3fi8 h PHE 158 Cb 0.65 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 3fi8 h PHE 158 CO -0.18 0.40 0.40 1.49 -2.23 0.00 0.00 178.31 178.20 3fi8 h GLU 159 N 0.30 0.79 -0.11 1.11 4.81 -1.87 -0.57 114.58 119.03 3fi8 h GLU 159 Ca 0.09 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3fi8 h GLU 159 Cb 0.15 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3fi8 h GLU 159 CO -0.01 0.52 0.01 0.28 -0.73 0.00 0.00 179.01 179.08 3fi8 h VAL 160 N 0.81 1.23 -0.61 0.32 2.07 -1.30 -2.62 116.25 116.15 3fi8 h VAL 160 Ca 0.24 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.09 3fi8 h VAL 160 Cb -0.04 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3fi8 h VAL 160 CO -0.08 0.21 0.30 0.22 0.02 0.00 0.00 177.57 178.24 3fi8 h TYR 161 N -0.05 0.54 -0.06 1.57 3.20 -0.35 0.11 116.97 121.93 3fi8 h TYR 161 Ca 0.03 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 3fi8 h TYR 161 Cb 0.32 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3fi8 h TYR 161 CO 0.02 0.22 -0.47 1.57 -1.64 0.00 0.00 178.16 177.86 3fi8 h LYS 162 N 0.54 0.14 -0.59 1.82 2.10 -1.03 0.19 116.57 119.74 3fi8 h LYS 162 Ca 0.29 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.82 3fi8 h LYS 162 Cb 0.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.56 3fi8 h LYS 162 CO -0.22 0.59 0.21 1.15 -2.00 0.00 0.00 179.45 179.17 3fi8 h THR 163 N 0.11 1.23 -0.50 0.07 2.02 -1.06 -1.57 112.91 113.21 3fi8 h THR 163 Ca 0.01 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 3fi8 h THR 163 Cb 0.88 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3fi8 h THR 163 CO 0.07 0.29 -0.03 0.24 0.37 0.00 0.00 175.52 176.46 3fi8 h MET 164 N 0.83 0.91 -0.46 6.66 2.86 0.19 -2.75 114.93 123.17 3fi8 h MET 164 Ca 0.19 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3fi8 h MET 164 Cb 0.24 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3fi8 h MET 164 CO -0.01 0.95 0.21 1.03 1.06 0.00 0.00 176.91 180.15 3fi8 h SER 165 N 0.77 0.61 -0.98 1.22 0.87 -0.68 -1.24 113.55 114.12 3fi8 h SER 165 Ca 0.14 -0.14 0.23 0.00 -1.23 0.00 0.00 61.79 60.78 3fi8 h SER 165 Cb 0.56 -0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.28 3fi8 h SER 165 CO 0.03 0.58 0.63 0.50 -0.53 0.00 0.00 176.83 178.05 3fi8 h LYS 166 N 0.59 0.46 -0.65 2.24 3.64 -1.06 -1.50 116.57 120.29 3fi8 h LYS 166 Ca 0.16 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3fi8 h LYS 166 Cb 0.14 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3fi8 h LYS 166 CO -0.02 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.13 3fi8 n TYR 167 N -4.60 0.86 -1.84 1.91 4.01 -1.04 -4.93 117.16 111.52 3fi8 n TYR 167 Ca 0.23 -0.45 -0.16 0.00 -0.16 0.00 0.00 57.90 57.35 3fi8 n TYR 167 Cb 0.75 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.73 3fi8 n TYR 167 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fi8 n ARG 168 N 1.54 -1.18 0.09 -0.72 5.12 -0.57 -4.87 116.66 116.07 3fi8 n ARG 168 Ca 0.23 0.93 -0.22 0.00 -1.93 0.00 0.00 57.85 56.85 3fi8 n ARG 168 Cb 0.61 -5.19 -0.15 0.00 -1.16 0.00 0.00 32.46 26.56 3fi8 n ARG 168 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3fi8 h ILE 169 N 0.00 1.42 -2.19 0.55 2.04 -1.48 -3.47 117.51 114.38 3fi8 h ILE 169 Ca -0.35 -2.59 -0.46 0.00 1.00 0.00 0.00 64.86 62.47 3fi8 h ILE 169 Cb 1.15 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 40.35 3fi8 h ILE 169 CO 0.46 0.75 -0.34 0.00 0.00 0.00 0.00 178.15 179.02 3fi8 s ALA 170 N -2.52 3.98 0.14 1.87 0.00 -1.08 -3.64 121.76 120.52 3fi8 s ALA 170 Ca -0.12 -1.25 -0.34 0.00 0.00 0.00 0.00 51.96 50.25 3fi8 s ALA 170 Cb 0.02 -1.80 -0.16 0.00 0.00 0.00 0.00 23.12 21.19 3fi8 s ALA 170 CO 0.88 0.07 1.25 -2.30 0.00 0.00 0.00 175.76 175.66 3fi8 n PRO 171 N -1.58 1.23 -1.65 0.00 -0.02 -1.26 -4.50 135.00 127.21 3fi8 n PRO 171 Ca -0.05 0.44 -0.50 0.00 -2.02 0.00 0.00 63.50 61.37 3fi8 n PRO 171 Cb 0.57 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 3fi8 n PRO 171 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fi8 n LEU 172 N 2.26 2.59 -4.65 2.45 7.94 -1.26 -4.65 117.00 121.67 3fi8 n LEU 172 Ca 0.16 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.71 3fi8 n LEU 172 Cb 0.23 -1.30 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 3fi8 n LEU 172 CO 0.62 -0.51 1.40 -0.22 -1.11 0.00 0.00 177.39 177.57 3fi8 s LEU 173 N 1.78 4.21 -0.19 -1.96 0.20 -1.26 0.18 118.68 121.64 3fi8 s LEU 173 Ca 0.86 2.12 -0.21 0.00 0.69 0.00 0.00 54.13 57.60 3fi8 s LEU 173 Cb -0.83 -3.53 -0.21 0.00 -0.43 0.00 0.00 46.19 41.19 3fi8 s LEU 173 CO 0.48 -1.03 0.30 -0.07 -0.29 0.00 0.00 176.35 175.74 3fi8 h LEU 174 N 10.71 0.05 -7.70 -0.68 3.38 -1.30 -3.47 115.31 116.30 3fi8 h LEU 174 Ca -0.39 -0.61 0.13 0.00 0.09 0.00 0.00 57.88 57.10 3fi8 h LEU 174 Cb 1.18 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 3fi8 h LEU 174 CO 0.96 1.48 0.39 0.21 0.09 0.00 0.00 178.44 181.57 3fi8 s ASN 175 N -6.82 -0.23 0.07 -0.43 3.84 -1.01 -5.01 114.94 105.35 3fi8 s ASN 175 Ca -0.27 -0.43 0.05 0.00 0.21 0.00 0.00 52.86 52.42 3fi8 s ASN 175 Cb 0.05 0.56 -0.03 0.00 -0.55 0.00 0.00 41.25 41.29 3fi8 s ASN 175 CO 0.63 -1.03 -0.13 -0.89 -2.79 0.00 0.00 177.10 172.88 3fi8 s THR 176 N -3.50 1.04 0.25 -5.21 2.01 -1.26 -0.52 115.64 108.45 3fi8 s THR 176 Ca 0.11 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 60.87 3fi8 s THR 176 Cb -0.03 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 3fi8 s THR 176 CO 0.02 -0.23 0.18 0.72 -0.69 0.00 0.00 174.62 174.62 3fi8 s PHE 177 N -1.27 1.40 -0.52 4.92 -0.12 -1.12 -4.96 117.98 116.33 3fi8 s PHE 177 Ca -0.03 -1.48 -0.28 0.00 -0.05 0.00 0.00 56.93 55.09 3fi8 s PHE 177 Cb -0.10 -0.64 0.01 0.00 -0.63 0.00 0.00 43.02 41.67 3fi8 s PHE 177 CO 0.02 -0.71 1.41 0.34 -0.05 0.00 0.00 175.22 176.22 3fi8 s ASP 178 N -3.25 6.20 0.00 1.98 3.68 -1.26 -2.63 116.67 121.38 3fi8 s ASP 178 Ca 0.39 0.44 0.00 0.00 2.13 0.00 0.00 52.55 55.52 3fi8 s ASP 178 Cb 0.05 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.98 3fi8 s ASP 178 CO 0.18 -1.62 0.00 0.61 0.13 0.00 0.00 175.17 174.47 3fi8 n GLY 179 N 5.20 0.96 0.00 2.66 0.00 -1.26 -5.07 105.19 107.68 3fi8 n GLY 179 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3fi8 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fi8 n GLY 180 N -0.63 1.92 3.19 -0.02 0.00 -1.08 -0.84 105.19 107.73 3fi8 n GLY 180 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 3fi8 n GLY 180 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fi8 s ARG 181 N -1.36 0.81 -0.13 1.61 1.70 -0.10 -2.78 118.95 118.70 3fi8 s ARG 181 Ca 0.00 -1.02 0.01 0.00 -0.47 0.00 0.00 55.73 54.25 3fi8 s ARG 181 Cb 0.00 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 3fi8 s ARG 181 CO 0.00 -0.24 -0.16 0.42 -1.08 0.00 0.00 175.30 174.24 3fi8 s ILE 182 N -3.88 2.74 0.26 4.99 1.01 0.32 -0.52 121.20 126.13 3fi8 s ILE 182 Ca 0.06 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 60.04 3fi8 s ILE 182 Cb 0.05 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3fi8 s ILE 182 CO -0.10 0.53 -0.17 -1.61 0.00 0.00 0.00 174.94 173.59 3fi8 s GLU 183 N 0.45 1.57 0.13 2.79 2.02 0.58 -0.83 118.70 125.40 3fi8 s GLU 183 Ca -0.12 -1.73 -0.35 0.00 0.02 0.00 0.00 54.97 52.80 3fi8 s GLU 183 Cb -0.16 -1.54 -0.15 0.00 0.10 0.00 0.00 34.13 32.38 3fi8 s GLU 183 CO 0.05 0.26 1.43 -1.91 0.02 0.00 0.00 175.26 175.11 3fi8 n GLU 184 N -0.56 1.58 -2.66 1.61 2.13 0.13 -1.30 120.64 121.58 3fi8 n GLU 184 Ca -0.06 0.57 -0.43 0.00 0.66 0.00 0.00 57.16 57.90 3fi8 n GLU 184 Cb 0.60 -2.26 -0.02 0.00 0.27 0.00 0.00 31.44 30.04 3fi8 n GLU 184 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3fi8 s TRP 185 N 0.60 3.39 -0.08 4.31 -0.11 -1.26 -4.44 118.94 121.35 3fi8 s TRP 185 Ca 0.81 1.51 -0.21 0.00 1.22 0.00 0.00 56.10 59.42 3fi8 s TRP 185 Cb -0.83 -3.25 -0.04 0.00 -1.50 0.00 0.00 33.47 27.86 3fi8 s TRP 185 CO 0.44 -0.41 0.61 -0.51 -4.62 0.00 0.00 176.95 172.45 3fi8 s LEU 186 N 2.77 4.32 0.25 5.86 1.02 -1.26 -4.97 118.68 126.66 3fi8 s LEU 186 Ca 0.46 1.05 0.26 0.00 0.02 0.00 0.00 54.13 55.91 3fi8 s LEU 186 Cb -0.16 -2.92 0.72 0.00 0.02 0.00 0.00 46.19 43.85 3fi8 s LEU 186 CO 0.11 -0.05 1.74 1.88 0.02 0.00 0.00 176.35 180.05 3fi8 h TYR 187 N 6.60 0.00 -0.08 0.29 0.05 -1.96 -3.46 116.97 118.41 3fi8 h TYR 187 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.36 3fi8 h TYR 187 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3fi8 h TYR 187 CO 0.64 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.16 3fi8 n GLY 188 N 1.27 1.03 3.06 3.88 0.00 -1.26 -5.01 105.19 108.16 3fi8 n GLY 188 Ca 0.05 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 3fi8 n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fi8 s ASP 189 N -1.00 0.43 0.65 1.61 1.01 -0.90 -4.92 116.67 113.55 3fi8 s ASP 189 Ca 0.00 -0.85 -0.17 0.00 0.71 0.00 0.00 52.55 52.24 3fi8 s ASP 189 Cb 0.00 0.17 -0.00 0.00 1.01 0.00 0.00 42.92 44.09 3fi8 s ASP 189 CO 0.00 -0.51 1.21 -2.84 0.21 0.00 0.00 175.17 173.25 3fi8 s PRO 190 N -3.18 2.62 0.53 8.23 0.02 -1.26 -0.90 135.00 141.05 3fi8 s PRO 190 Ca 0.00 1.81 -0.22 0.00 0.02 0.00 0.00 61.00 62.61 3fi8 s PRO 190 Cb 0.03 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 3fi8 s PRO 190 CO -0.07 -1.48 1.37 -0.51 -0.33 0.00 0.00 177.00 175.98 3fi8 s LEU 191 N -4.53 3.89 0.62 -5.54 1.43 -0.45 -4.81 118.68 109.29 3fi8 s LEU 191 Ca 0.76 2.80 -0.04 0.00 -1.03 0.00 0.00 54.13 56.62 3fi8 s LEU 191 Cb -0.30 -4.22 0.04 0.00 0.03 0.00 0.00 46.19 41.73 3fi8 s LEU 191 CO 0.39 -1.52 0.90 -0.94 0.23 0.00 0.00 176.35 175.41 3fi8 s SER 192 N -0.88 5.18 0.31 2.29 1.04 -1.26 -4.11 113.70 116.26 3fi8 s SER 192 Ca 0.70 0.38 0.04 0.00 0.48 0.00 0.00 55.95 57.54 3fi8 s SER 192 Cb -0.41 -1.21 0.50 0.00 0.10 0.00 0.00 66.02 65.01 3fi8 s SER 192 CO 0.49 -1.30 1.79 -0.29 0.98 0.00 0.00 173.24 174.92 3fi8 h ILE 193 N -0.26 1.24 -0.01 -1.02 6.09 -1.95 -2.68 117.51 118.91 3fi8 h ILE 193 Ca -0.44 -1.07 -0.15 0.00 -1.37 0.00 0.00 64.86 61.83 3fi8 h ILE 193 Cb 1.29 1.20 -0.02 0.00 0.47 0.00 0.00 36.82 39.77 3fi8 h ILE 193 CO 0.58 0.35 -0.68 0.44 -3.07 0.00 0.00 178.15 175.77 3fi8 h ASP 194 N 0.43 0.07 -0.97 2.19 3.32 -1.96 -2.92 116.42 116.58 3fi8 h ASP 194 Ca 0.08 -0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.27 3fi8 h ASP 194 Cb 0.53 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 3fi8 h ASP 194 CO 0.03 0.72 0.61 0.44 -1.72 0.00 0.00 179.24 179.33 3fi8 h ASP 195 N 0.04 0.66 0.41 6.45 3.32 -1.86 -1.79 116.42 123.65 3fi8 h ASP 195 Ca -0.01 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3fi8 h ASP 195 Cb 1.20 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3fi8 h ASP 195 CO 0.09 0.25 0.00 0.18 -1.72 0.00 0.00 179.24 178.04 3fi8 n LEU 196 N -4.66 0.43 0.15 1.55 4.77 -1.10 -0.93 117.00 117.21 3fi8 n LEU 196 Ca 0.22 0.64 0.06 0.00 -0.03 0.00 0.00 56.01 56.89 3fi8 n LEU 196 Cb 0.61 -0.62 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3fi8 n LEU 196 CO 0.25 -0.59 0.50 0.11 -1.33 0.00 0.00 177.39 176.33 3fi8 h LYS 197 N 0.00 0.00 -6.16 3.23 1.57 -1.46 -3.44 116.57 110.30 3fi8 h LYS 197 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3fi8 h LYS 197 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3fi8 h LYS 197 CO 0.00 0.31 0.92 1.21 -0.57 0.00 0.00 179.45 181.33 3fi8 s ASN 198 N -6.28 6.91 0.32 0.86 3.84 -0.11 -4.92 114.94 115.56 3fi8 s ASN 198 Ca 0.04 1.74 0.02 0.00 0.21 0.00 0.00 52.86 54.88 3fi8 s ASN 198 Cb 0.07 -2.54 0.55 0.00 -0.55 0.00 0.00 41.25 38.78 3fi8 s ASN 198 CO 0.73 -0.78 1.89 0.11 -2.79 0.00 0.00 177.10 176.25 3fi8 h LYS 199 N 8.36 0.68 -0.03 0.43 1.57 -1.88 -1.71 116.57 123.99 3fi8 h LYS 199 Ca -0.28 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.30 3fi8 h LYS 199 Cb 1.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3fi8 h LYS 199 CO 0.97 0.61 -0.36 1.03 -0.57 0.00 0.00 179.45 181.13 3fi8 h SER 200 N 0.67 0.07 -0.04 0.86 0.87 -1.94 -1.26 113.55 112.77 3fi8 h SER 200 Ca 0.15 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 3fi8 h SER 200 Cb 0.23 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3fi8 h SER 200 CO -0.00 0.43 -0.45 0.40 -0.53 0.00 0.00 176.83 176.68 3fi8 h ILE 201 N 0.06 1.43 -0.82 2.23 2.04 -1.68 -2.56 117.51 118.21 3fi8 h ILE 201 Ca 0.01 -1.90 0.16 0.00 1.00 0.00 0.00 64.86 64.12 3fi8 h ILE 201 Cb 0.67 2.46 -0.10 0.00 -0.74 0.00 0.00 36.82 39.12 3fi8 h ILE 201 CO 0.05 0.55 0.38 -0.07 0.00 0.00 0.00 178.15 179.06 3fi8 h LEU 202 N -0.13 0.41 -0.27 1.44 3.38 -1.19 0.12 115.31 119.06 3fi8 h LEU 202 Ca -0.04 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fi8 h LEU 202 Cb 1.13 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3fi8 h LEU 202 CO 0.09 0.15 0.17 0.58 0.09 0.00 0.00 178.44 179.51 3fi8 h VAL 203 N 0.53 1.09 -0.85 1.22 2.07 -1.23 -0.67 116.25 118.41 3fi8 h VAL 203 Ca 0.46 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 3fi8 h VAL 203 Cb 0.71 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3fi8 h VAL 203 CO -0.40 0.09 0.52 1.23 0.02 0.00 0.00 177.57 179.03 3fi8 h GLY 204 N 0.35 1.23 0.93 2.17 0.00 -0.95 -0.30 103.07 106.51 3fi8 h GLY 204 Ca 0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3fi8 h GLY 204 CO -0.02 0.49 -0.22 -2.22 0.00 0.00 0.00 176.54 174.57 3fi8 h ILE 205 N 1.17 1.30 -0.81 2.60 2.04 -0.51 -2.56 117.51 120.75 3fi8 h ILE 205 Ca 0.31 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 3fi8 h ILE 205 Cb -0.06 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3fi8 h ILE 205 CO -0.06 0.43 0.35 0.00 0.00 0.00 0.00 178.15 178.88 3fi8 h ALA 206 N 0.72 1.09 0.04 1.87 0.00 -0.88 0.10 119.26 122.21 3fi8 h ALA 206 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fi8 h ALA 206 Cb 0.77 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fi8 h ALA 206 CO 0.06 0.66 -0.02 -0.91 0.00 0.00 0.00 179.25 179.04 3fi8 h ASN 207 N 1.17 -0.05 -0.40 0.00 2.35 -0.97 0.15 115.58 117.83 3fi8 h ASN 207 Ca 0.27 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3fi8 h ASN 207 Cb 0.17 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3fi8 h ASN 207 CO -0.03 -0.00 0.22 0.58 -1.65 0.00 0.00 177.43 176.55 3fi8 h VAL 208 N -0.09 1.15 -0.27 2.81 2.07 -1.26 -1.37 116.25 119.29 3fi8 h VAL 208 Ca -0.01 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 3fi8 h VAL 208 Cb 0.07 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3fi8 h VAL 208 CO 0.01 0.16 -0.30 0.25 0.02 0.00 0.00 177.57 177.70 3fi8 h LEU 209 N 0.51 0.58 -0.55 2.57 5.85 -0.71 -0.20 115.31 123.36 3fi8 h LEU 209 Ca 0.14 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3fi8 h LEU 209 Cb 0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3fi8 h LEU 209 CO -0.02 0.85 0.30 1.23 -0.34 0.00 0.00 178.44 180.45 3fi8 h GLY 210 N 1.03 0.82 0.77 3.75 0.00 -0.34 -1.77 103.07 107.33 3fi8 h GLY 210 Ca 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3fi8 h GLY 210 CO 0.06 0.36 -0.11 0.50 0.00 0.00 0.00 176.54 177.35 3fi8 h LYS 211 N 0.74 0.38 -0.95 4.80 1.57 -1.07 -3.18 116.57 118.86 3fi8 h LYS 211 Ca 0.19 -0.18 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 3fi8 h LYS 211 Cb 0.05 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.28 3fi8 h LYS 211 CO -0.03 0.71 0.60 0.35 -0.57 0.00 0.00 179.45 180.51 3fi8 h PHE 212 N 0.05 0.98 0.00 -1.35 3.57 -0.78 -0.89 116.94 118.51 3fi8 h PHE 212 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3fi8 h PHE 212 Cb 0.62 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3fi8 h PHE 212 CO 0.07 0.36 0.00 0.72 -2.23 0.00 0.00 178.31 177.23 3fi8 n HIS 213 N -4.60 0.61 0.87 0.41 8.25 -0.69 -2.31 115.22 117.75 3fi8 n HIS 213 Ca 0.19 0.21 0.13 0.00 -0.26 0.00 0.00 57.72 57.99 3fi8 n HIS 213 Cb 0.43 -0.84 0.46 0.00 1.12 0.00 0.00 29.99 31.16 3fi8 n HIS 213 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fi8 n THR 214 N -2.02 0.18 -0.25 1.59 -2.24 -0.34 -4.34 114.28 106.86 3fi8 n THR 214 Ca 0.04 -0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3fi8 n THR 214 Cb 0.30 -0.34 0.18 0.00 -2.10 0.00 0.00 70.33 68.36 3fi8 n THR 214 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3fi8 h LEU 215 N 0.00 0.01 -1.37 3.22 5.85 -1.53 -0.77 115.31 120.72 3fi8 h LEU 215 Ca 0.00 0.15 0.14 0.00 0.84 0.00 0.00 57.88 59.01 3fi8 h LEU 215 Cb 0.58 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3fi8 h LEU 215 CO 0.00 -0.04 0.55 -1.28 -0.34 0.00 0.00 178.44 177.34 3fi8 h SER 216 N 0.27 0.58 0.10 1.25 0.87 -1.82 0.35 113.55 115.15 3fi8 h SER 216 Ca 0.41 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 3fi8 h SER 216 Cb 0.70 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3fi8 h SER 216 CO -0.51 0.30 -1.54 -2.11 -0.53 0.00 0.00 176.83 172.44 3fi8 n ARG 217 N -4.54 0.42 -0.05 2.24 1.85 -0.42 -4.51 116.66 111.66 3fi8 n ARG 217 Ca 0.16 -0.10 0.01 0.00 -1.00 0.00 0.00 57.85 56.92 3fi8 n ARG 217 Cb 0.48 -1.54 -0.15 0.00 -1.05 0.00 0.00 32.46 30.20 3fi8 n ARG 217 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3fi8 n LYS 218 N -2.02 0.75 -4.36 2.89 5.02 -0.48 -4.96 118.16 115.01 3fi8 n LYS 218 Ca -0.01 -0.11 -0.27 0.00 -2.02 0.00 0.00 58.31 55.91 3fi8 n LYS 218 Cb 0.48 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 3fi8 n LYS 218 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3fi8 s ARG 219 N -2.98 2.14 -0.57 1.97 1.81 0.12 -5.05 118.95 116.38 3fi8 s ARG 219 Ca -0.08 -2.02 -0.13 0.00 -1.72 0.00 0.00 55.73 51.77 3fi8 s ARG 219 Cb 0.10 -1.82 0.14 0.00 -0.45 0.00 0.00 34.95 32.92 3fi8 s ARG 219 CO 0.81 -0.17 0.50 -1.58 -0.68 0.00 0.00 175.30 174.19 3fi8 s HIS 220 N -2.69 3.39 0.66 -0.53 5.65 -1.26 -4.67 115.29 115.84 3fi8 s HIS 220 Ca 0.34 -1.63 -0.14 0.00 0.25 0.00 0.00 55.06 53.88 3fi8 s HIS 220 Cb 0.05 -3.69 -0.00 0.00 -1.18 0.00 0.00 32.58 27.76 3fi8 s HIS 220 CO 0.18 -1.00 1.08 -0.51 -0.65 0.00 0.00 174.74 173.84 3fi8 s LEU 221 N 1.23 3.34 -0.03 8.88 1.43 -1.26 -4.92 118.68 127.35 3fi8 s LEU 221 Ca 0.07 1.85 -0.34 0.00 -1.03 0.00 0.00 54.13 54.68 3fi8 s LEU 221 Cb -0.25 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.31 3fi8 s LEU 221 CO -0.00 -1.51 1.81 -2.65 0.23 0.00 0.00 176.35 174.23 3fi8 n PRO 222 N -2.55 2.18 0.21 1.29 -0.02 -1.26 -4.84 135.00 130.01 3fi8 n PRO 222 Ca 0.09 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.51 3fi8 n PRO 222 Cb 0.53 -2.63 0.51 0.00 -0.02 0.00 0.00 33.50 31.89 3fi8 n PRO 222 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3fi8 h GLU 223 N 8.44 0.00 0.00 -0.52 5.08 -2.04 -3.02 114.58 122.52 3fi8 h GLU 223 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3fi8 h GLU 223 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3fi8 h GLU 223 CO 0.93 0.00 0.00 1.12 -1.00 0.00 0.00 179.01 180.06 3fi8 h HIS 224 N 0.00 0.00 -2.60 4.33 2.07 -2.04 -3.45 115.15 113.46 3fi8 h HIS 224 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 3fi8 h HIS 224 Cb 0.59 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.62 3fi8 h HIS 224 CO 0.00 0.00 1.06 0.91 -3.07 0.00 0.00 177.93 176.83 3fi8 n TRP 225 N -2.31 2.72 -1.66 6.12 8.01 -1.15 -4.90 117.44 124.28 3fi8 n TRP 225 Ca 0.04 -0.05 -0.50 0.00 -1.31 0.00 0.00 57.50 55.69 3fi8 n TRP 225 Cb 0.38 -2.70 -0.05 0.00 -2.01 0.00 0.00 31.31 26.92 3fi8 n TRP 225 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3fi8 n ASP 226 N 4.69 2.67 -0.91 -0.99 2.03 -1.26 -4.90 116.55 117.88 3fi8 n ASP 226 Ca 0.17 1.07 0.12 0.00 0.52 0.00 0.00 54.79 56.66 3fi8 n ASP 226 Cb 0.36 -1.30 0.24 0.00 -0.72 0.00 0.00 41.12 39.70 3fi8 n ASP 226 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3fi8 n LYS 227 N 4.20 2.22 -1.95 -0.67 4.76 -1.26 -4.42 118.16 121.04 3fi8 n LYS 227 Ca 0.20 -1.81 -0.42 0.00 -2.87 0.00 0.00 58.31 53.41 3fi8 n LYS 227 Cb 0.24 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 3fi8 n LYS 227 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3fi8 s THR 228 N -1.77 3.45 0.22 -0.18 2.01 -1.26 -4.85 115.64 113.25 3fi8 s THR 228 Ca 0.34 0.59 -0.31 0.00 0.31 0.00 0.00 61.69 62.61 3fi8 s THR 228 Cb 0.21 -3.38 -0.14 0.00 0.01 0.00 0.00 72.50 69.20 3fi8 s THR 228 CO 0.30 -0.05 1.26 -2.65 -0.69 0.00 0.00 174.62 172.80 3fi8 n PRO 229 N 7.02 1.60 0.29 4.92 -0.02 -1.26 -4.74 135.00 142.82 3fi8 n PRO 229 Ca 0.17 0.57 0.18 0.00 -2.02 0.00 0.00 63.50 62.40 3fi8 n PRO 229 Cb 0.42 -2.13 0.87 0.00 -0.02 0.00 0.00 33.50 32.64 3fi8 n PRO 229 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fi8 h VAL 231 N 0.00 1.20 0.27 0.00 2.07 -1.88 0.34 116.25 118.24 3fi8 h VAL 231 Ca -0.00 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3fi8 h VAL 231 Cb 0.31 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3fi8 h VAL 231 CO 0.00 0.21 -0.13 -0.26 0.02 0.00 0.00 177.57 177.41 3fi8 h PHE 232 N 1.13 -0.34 -0.08 1.57 0.04 -1.72 -2.39 116.94 115.14 3fi8 h PHE 232 Ca 0.32 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.09 3fi8 h PHE 232 Cb -0.10 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3fi8 h PHE 232 CO -0.01 -0.05 0.02 0.87 -0.60 0.00 0.00 178.31 178.54 3fi8 h LYS 233 N -0.60 0.06 -0.28 1.51 1.57 -1.46 -1.62 116.57 115.75 3fi8 h LYS 233 Ca -0.04 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3fi8 h LYS 233 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3fi8 h LYS 233 CO 0.06 0.04 0.05 0.52 -0.57 0.00 0.00 179.45 179.55 3fi8 h MET 234 N 0.07 0.47 -0.57 3.15 2.86 -0.41 -1.29 114.93 119.21 3fi8 h MET 234 Ca 0.04 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3fi8 h MET 234 Cb 0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3fi8 h MET 234 CO -0.04 0.58 0.26 1.98 1.06 0.00 0.00 176.91 180.74 3fi8 h MET 235 N 0.29 0.82 0.33 1.72 1.85 -1.43 -1.05 114.93 117.47 3fi8 h MET 235 Ca 0.09 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 3fi8 h MET 235 Cb 0.33 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.22 3fi8 h MET 235 CO 0.01 0.68 -0.16 0.22 -0.40 0.00 0.00 176.91 177.26 3fi8 h ASP 236 N 0.77 -0.38 -0.03 1.39 3.58 -1.25 -2.28 116.42 118.21 3fi8 h ASP 236 Ca 0.19 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.51 3fi8 h ASP 236 Cb 0.14 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 3fi8 h ASP 236 CO -0.02 0.06 -0.17 -0.09 -2.88 0.00 0.00 179.24 176.14 3fi8 h ARG 237 N -0.93 -0.25 0.00 0.28 2.43 -1.28 -1.56 114.38 113.07 3fi8 h ARG 237 Ca -0.05 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3fi8 h ARG 237 Cb 0.52 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3fi8 h ARG 237 CO 0.08 -0.17 -0.56 -1.49 -1.51 0.00 0.00 179.97 176.32 3fi8 h TRP 238 N -0.26 0.00 -0.10 2.20 6.55 -1.29 -2.54 115.95 120.51 3fi8 h TRP 238 Ca 0.06 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.82 3fi8 h TRP 238 Cb 0.35 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 3fi8 h TRP 238 CO -0.24 0.56 -0.27 -0.09 -1.05 0.00 0.00 178.44 177.36 3fi8 h ARG 239 N 0.00 0.36 -0.46 0.49 2.43 -1.35 -2.45 114.38 113.41 3fi8 h ARG 239 Ca -0.01 -0.25 0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3fi8 h ARG 239 Cb 1.14 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.64 3fi8 h ARG 239 CO 0.07 0.87 -0.13 -0.07 -1.51 0.00 0.00 179.97 179.20 3fi8 h LEU 240 N -0.09 -0.46 -1.25 3.80 4.07 -1.14 -1.48 115.31 118.76 3fi8 h LEU 240 Ca -0.01 0.14 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 3fi8 h LEU 240 Cb 0.88 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.89 3fi8 h LEU 240 CO 0.06 -0.16 0.11 0.00 -1.08 0.00 0.00 178.44 177.36 3fi8 h ALA 241 N 1.42 1.40 -0.01 1.53 0.00 -1.47 -2.44 119.26 119.70 3fi8 h ALA 241 Ca 0.22 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3fi8 h ALA 241 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fi8 h ALA 241 CO -0.48 0.44 -0.59 0.28 0.00 0.00 0.00 179.25 178.90 3fi8 h VAL 242 N 0.61 1.42 0.00 0.00 2.07 -0.90 -3.07 116.25 116.38 3fi8 h VAL 242 Ca 0.14 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.61 3fi8 h VAL 242 Cb 0.22 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3fi8 h VAL 242 CO -0.00 0.58 -0.15 0.28 0.02 0.00 0.00 177.57 178.29 3fi8 h SER 243 N 0.03 0.00 0.12 0.57 0.02 -0.78 -2.79 113.55 110.73 3fi8 h SER 243 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3fi8 h SER 243 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3fi8 h SER 243 CO 0.08 0.15 -0.01 0.59 -1.14 0.00 0.00 176.83 176.50 3fi8 n ASN 244 N -3.63 0.15 -4.83 3.07 3.02 -1.16 -4.90 115.26 106.99 3fi8 n ASN 244 Ca -0.01 -0.86 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 3fi8 n ASN 244 Cb 0.28 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 3fi8 n ASN 244 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fi8 s TYR 245 N -2.13 3.70 0.56 3.10 4.12 -1.05 -5.09 117.35 120.56 3fi8 s TYR 245 Ca 0.42 1.17 -0.10 0.00 0.02 0.00 0.00 57.07 58.59 3fi8 s TYR 245 Cb 0.21 -2.44 -0.04 0.00 -1.52 0.00 0.00 41.96 38.17 3fi8 s TYR 245 CO 0.39 0.51 0.94 0.21 0.02 0.00 0.00 175.55 177.61 3fi8 s LYS 246 N -1.54 3.62 -1.53 -0.62 2.20 -1.26 -4.48 119.74 116.14 3fi8 s LYS 246 Ca 0.33 0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 56.49 3fi8 s LYS 246 Cb -0.17 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 3fi8 s LYS 246 CO 0.19 -0.40 0.52 0.09 -0.36 0.00 0.00 175.35 175.39 3fi8 n ASN 247 N -2.42 -5.95 0.21 1.43 5.03 -1.26 -4.90 115.26 107.39 3fi8 n ASN 247 Ca 0.04 -0.25 0.06 0.00 0.87 0.00 0.00 54.58 55.30 3fi8 n ASN 247 Cb 0.54 -4.79 0.45 0.00 -1.02 0.00 0.00 39.78 34.96 3fi8 n ASN 247 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3fi8 h LEU 248 N -1.19 0.00 -2.67 3.41 -0.00 -1.94 -1.70 115.31 111.21 3fi8 h LEU 248 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 3fi8 h LEU 248 Cb 1.35 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.01 3fi8 h LEU 248 CO 0.55 0.30 0.10 0.44 -0.00 0.00 0.00 178.44 179.83 3fi8 h ASP 249 N 0.00 0.00 0.66 -0.43 5.19 -1.91 0.12 116.42 120.05 3fi8 h ASP 249 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3fi8 h ASP 249 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 3fi8 h ASP 249 CO 0.04 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.45 3fi8 n LYS 250 N -3.07 0.16 -0.08 3.56 5.02 -0.64 -3.38 118.16 119.74 3fi8 n LYS 250 Ca -0.03 0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 3fi8 n LYS 250 Cb 0.17 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 3fi8 n LYS 250 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3fi8 n VAL 251 N -1.40 1.44 -3.71 -0.18 0.31 0.37 -5.05 118.33 110.11 3fi8 n VAL 251 Ca 0.08 0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 64.46 3fi8 n VAL 251 Cb 0.24 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 30.72 3fi8 n VAL 251 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3fi8 s THR 252 N -2.38 0.01 0.62 2.52 -1.32 -1.02 -4.88 115.64 109.18 3fi8 s THR 252 Ca -0.18 -0.06 0.34 0.00 -1.21 0.00 0.00 61.69 60.57 3fi8 s THR 252 Cb 0.03 -0.67 0.38 0.00 -1.51 0.00 0.00 72.50 70.73 3fi8 s THR 252 CO 0.28 -0.03 2.24 0.17 -2.21 0.00 0.00 174.62 175.06 3fi8 h LEU 253 N 5.05 0.00 -3.68 9.08 -0.00 -1.86 -2.90 115.31 121.01 3fi8 h LEU 253 Ca -0.28 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.19 3fi8 h LEU 253 Cb 1.18 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 41.59 3fi8 h LEU 253 CO 0.25 0.00 0.12 -0.90 -0.00 0.00 0.00 178.44 177.91 3fi8 n ASP 254 N -3.58 4.23 -0.27 0.17 5.68 -1.26 -4.78 116.55 116.74 3fi8 n ASP 254 Ca -0.02 -3.76 -0.06 0.00 -0.50 0.00 0.00 54.79 50.45 3fi8 n ASP 254 Cb 0.14 -0.69 0.05 0.00 -1.14 0.00 0.00 41.12 39.48 3fi8 n ASP 254 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3fi8 h ILE 255 N 1.21 1.25 0.00 2.12 6.09 -1.84 -2.55 117.51 123.80 3fi8 h ILE 255 Ca 0.41 -0.78 -0.04 0.00 -1.37 0.00 0.00 64.86 63.07 3fi8 h ILE 255 Cb 1.68 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 39.35 3fi8 h ILE 255 CO 0.84 0.32 -0.19 -0.55 -3.07 0.00 0.00 178.15 175.50 3fi8 h ASN 256 N 1.06 0.00 -0.80 2.19 7.08 -1.89 -0.59 115.58 122.63 3fi8 h ASN 256 Ca 0.25 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.51 3fi8 h ASN 256 Cb 0.21 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.40 3fi8 h ASN 256 CO -0.02 0.19 0.50 0.50 -2.08 0.00 0.00 177.43 176.52 3fi8 h LYS 257 N 0.00 0.93 0.09 4.14 3.64 -1.84 -0.17 116.57 123.36 3fi8 h LYS 257 Ca -0.00 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.07 3fi8 h LYS 257 Cb 0.39 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3fi8 h LYS 257 CO 0.02 0.61 -1.15 1.88 -2.27 0.00 0.00 179.45 178.55 3fi8 h TYR 258 N 0.96 0.37 -0.83 1.91 -1.99 -1.17 -0.12 116.97 116.09 3fi8 h TYR 258 Ca 0.33 -0.26 0.01 0.00 2.00 0.00 0.00 58.73 60.81 3fi8 h TYR 258 Cb 0.07 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.74 3fi8 h TYR 258 CO -0.03 1.19 0.55 0.82 -0.00 0.00 0.00 178.16 180.69 3fi8 h ILE 259 N 0.06 1.21 -0.25 -2.88 1.08 -1.16 -1.92 117.51 113.66 3fi8 h ILE 259 Ca -0.10 -0.39 -0.11 0.00 -0.39 0.00 0.00 64.86 63.87 3fi8 h ILE 259 Cb 1.88 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 3fi8 h ILE 259 CO 0.18 0.21 -0.31 1.56 -0.69 0.00 0.00 178.15 179.09 3fi8 h GLN 260 N 1.13 0.52 -0.88 2.37 4.20 -0.95 -3.20 115.11 118.30 3fi8 h GLN 260 Ca 0.31 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3fi8 h GLN 260 Cb -0.13 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3fi8 h GLN 260 CO -0.07 0.77 0.46 0.93 -0.67 0.00 0.00 178.83 180.26 3fi8 h GLU 261 N 0.45 1.24 0.17 1.46 4.39 -0.53 -3.05 114.58 118.71 3fi8 h GLU 261 Ca 0.05 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.61 3fi8 h GLU 261 Cb 0.77 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3fi8 h GLU 261 CO 0.06 0.92 -0.26 0.66 -1.16 0.00 0.00 179.01 179.24 3fi8 h SER 262 N 1.24 -0.71 1.22 1.42 4.64 -1.35 0.69 113.55 120.69 3fi8 h SER 262 Ca 0.31 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.68 3fi8 h SER 262 Cb 0.06 0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3fi8 h SER 262 CO -0.05 -0.36 -0.12 1.12 -0.87 0.00 0.00 176.83 176.56 3fi8 h HIS 263 N -0.50 0.00 -0.32 4.77 2.07 -1.66 -0.28 115.15 119.23 3fi8 h HIS 263 Ca 0.01 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.44 3fi8 h HIS 263 Cb 0.50 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.46 3fi8 h HIS 263 CO -0.21 0.12 -0.18 -0.22 -3.07 0.00 0.00 177.93 174.37 3fi8 h LYS 264 N 0.00 0.59 -0.15 5.12 3.64 -1.37 -2.22 116.57 122.18 3fi8 h LYS 264 Ca -0.00 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.10 3fi8 h LYS 264 Cb 0.76 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3fi8 h LYS 264 CO 0.02 0.74 -0.22 0.35 -2.27 0.00 0.00 179.45 178.07 3fi8 h PHE 265 N 0.53 0.50 -0.97 1.91 3.57 0.27 -2.08 116.94 120.66 3fi8 h PHE 265 Ca 0.09 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3fi8 h PHE 265 Cb 0.60 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 3fi8 h PHE 265 CO 0.02 0.84 0.62 -0.07 -2.23 0.00 0.00 178.31 177.49 3fi8 h LEU 266 N 0.02 1.00 -0.32 0.59 3.38 -1.11 0.48 115.31 119.36 3fi8 h LEU 266 Ca 0.01 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3fi8 h LEU 266 Cb 0.78 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fi8 h LEU 266 CO 0.05 0.65 -0.14 0.50 0.09 0.00 0.00 178.44 179.59 3fi8 h LYS 267 N 1.15 0.67 -0.15 1.13 3.64 -1.40 -1.54 116.57 120.06 3fi8 h LYS 267 Ca 0.41 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3fi8 h LYS 267 Cb 0.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3fi8 h LYS 267 CO -0.16 0.87 0.08 0.35 -2.27 0.00 0.00 179.45 178.32 3fi8 h PHE 268 N 0.44 0.15 0.00 1.91 3.57 -0.94 -2.86 116.94 119.20 3fi8 h PHE 268 Ca 0.07 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3fi8 h PHE 268 Cb 0.67 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3fi8 h PHE 268 CO 0.06 0.09 -0.12 0.97 -2.23 0.00 0.00 178.31 177.08 3fi8 h ILE 269 N 0.17 0.54 -0.50 1.41 6.09 0.02 0.10 117.51 125.34 3fi8 h ILE 269 Ca 0.06 -0.57 -0.05 0.00 -1.37 0.00 0.00 64.86 62.93 3fi8 h ILE 269 Cb 0.00 1.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.65 3fi8 h ILE 269 CO -0.03 0.12 0.11 0.11 -3.07 0.00 0.00 178.15 175.39 3fi8 h LYS 270 N 0.00 0.80 -0.01 2.19 1.57 -1.05 -2.51 116.57 117.56 3fi8 h LYS 270 Ca -0.00 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 3fi8 h LYS 270 Cb 0.36 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.58 3fi8 h LYS 270 CO 0.02 0.78 -0.41 0.82 -0.57 0.00 0.00 179.45 180.09 3fi8 h ILE 271 N 0.69 1.49 -0.51 1.86 2.04 -1.35 -3.38 117.51 118.34 3fi8 h ILE 271 Ca 0.15 -1.99 -0.03 0.00 1.00 0.00 0.00 64.86 63.99 3fi8 h ILE 271 Cb 0.35 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 3fi8 h ILE 271 CO 0.00 0.56 0.20 0.22 0.00 0.00 0.00 178.15 179.14 3fi8 h TYR 272 N -0.30 0.78 0.00 1.37 3.20 -0.80 -2.26 116.97 118.96 3fi8 h TYR 272 Ca -0.05 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3fi8 h TYR 272 Cb 1.14 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.18 3fi8 h TYR 272 CO 0.16 0.65 0.00 0.25 -1.64 0.00 0.00 178.16 177.58 3fi8 n THR 273 N -4.54 0.00 1.10 1.81 -2.24 -0.95 -2.11 114.28 107.35 3fi8 n THR 273 Ca 0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3fi8 n THR 273 Cb 0.16 -0.04 0.15 0.00 -2.10 0.00 0.00 70.33 68.50 3fi8 n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fi8 n GLN 274 N -0.50 1.16 -1.77 -0.78 6.02 -0.85 -4.88 117.38 115.78 3fi8 n GLN 274 Ca 0.00 -0.88 -0.41 0.00 -0.01 0.00 0.00 57.00 55.70 3fi8 n GLN 274 Cb 0.00 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.77 3fi8 n GLN 274 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3fi8 s ILE 275 N -2.44 2.01 -1.05 5.09 1.01 -0.90 -4.90 121.20 120.02 3fi8 s ILE 275 Ca 0.22 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.65 3fi8 s ILE 275 Cb 0.19 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 3fi8 s ILE 275 CO 0.53 0.00 1.80 -0.70 0.00 0.00 0.00 174.94 176.57 3fi8 s GLU 276 N -1.22 2.97 -0.19 2.79 -6.30 -1.26 -4.85 118.70 110.65 3fi8 s GLU 276 Ca 0.59 -0.92 -0.15 0.00 -2.50 0.00 0.00 54.97 51.99 3fi8 s GLU 276 Cb -0.48 -5.24 0.05 0.00 0.00 0.00 0.00 34.13 28.47 3fi8 s GLU 276 CO 0.55 -3.11 0.48 1.21 0.02 0.00 0.00 175.26 174.42 3fi8 s ASN 277 N 6.46 -0.53 0.51 -1.70 3.04 -1.26 -5.06 114.94 116.39 3fi8 s ASN 277 Ca 0.62 0.99 0.30 0.00 0.04 0.00 0.00 52.86 54.81 3fi8 s ASN 277 Cb -0.02 0.97 1.28 0.00 -1.54 0.00 0.00 41.25 41.94 3fi8 s ASN 277 CO 0.02 -0.18 1.96 0.16 -3.04 0.00 0.00 177.10 176.02 3fi8 h ILE 278 N 4.66 0.30 -0.78 -5.21 3.07 -1.94 -1.44 117.51 116.17 3fi8 h ILE 278 Ca -0.29 -0.71 0.23 0.00 1.55 0.00 0.00 64.86 65.63 3fi8 h ILE 278 Cb 1.18 1.55 -0.03 0.00 -0.27 0.00 0.00 36.82 39.25 3fi8 h ILE 278 CO 0.22 0.10 0.58 0.00 -1.05 0.00 0.00 178.15 178.00 3fi8 h ALA 279 N 1.90 2.72 -0.05 0.16 0.00 -1.94 0.11 119.26 122.16 3fi8 h ALA 279 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fi8 h ALA 279 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fi8 h ALA 279 CO 0.01 -0.98 0.00 0.09 0.00 0.00 0.00 179.25 178.37 3fi8 n ASN 280 N -4.23 0.96 -4.71 0.00 3.02 -0.54 -2.44 115.26 107.32 3fi8 n ASN 280 Ca 0.16 -1.42 -0.40 0.00 -0.03 0.00 0.00 54.58 52.89 3fi8 n ASN 280 Cb 0.87 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 40.04 3fi8 n ASN 280 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fi8 n ASP 281 N -0.21 2.42 -4.35 6.41 8.00 0.36 -4.75 116.55 124.44 3fi8 n ASP 281 Ca 0.19 1.04 -0.37 0.00 0.71 0.00 0.00 54.79 56.36 3fi8 n ASP 281 Cb 0.25 -1.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.70 3fi8 n ASP 281 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fi8 s ILE 282 N -1.26 3.88 0.32 0.53 1.01 -1.26 -0.90 121.20 123.51 3fi8 s ILE 282 Ca 0.66 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3fi8 s ILE 282 Cb -0.47 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3fi8 s ILE 282 CO 0.54 0.17 0.13 0.68 0.00 0.00 0.00 174.94 176.47 3fi8 s VAL 283 N 1.50 0.52 -0.30 2.92 -7.23 -0.65 -4.90 120.40 112.26 3fi8 s VAL 283 Ca 0.03 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.91 3fi8 s VAL 283 Cb -0.16 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.24 3fi8 s VAL 283 CO 0.01 0.00 1.16 0.12 -0.31 0.00 0.00 175.10 176.09 3fi8 s PHE 284 N -3.53 2.98 0.12 2.82 5.36 -1.26 -1.06 117.98 123.42 3fi8 s PHE 284 Ca 0.34 1.08 0.06 0.00 -0.96 0.00 0.00 56.93 57.45 3fi8 s PHE 284 Cb 0.06 -3.74 -0.04 0.00 -0.34 0.00 0.00 43.02 38.96 3fi8 s PHE 284 CO 0.16 -1.14 -0.03 0.00 -1.46 0.00 0.00 175.22 172.75 3fi8 h HIS 286 N 3.22 0.87 0.00 0.00 2.76 -1.93 -2.00 115.15 118.07 3fi8 h HIS 286 Ca -0.48 -0.41 0.00 0.00 -2.20 0.00 0.00 60.37 57.28 3fi8 h HIS 286 Cb 1.18 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.01 3fi8 h HIS 286 CO 0.61 1.22 0.00 0.09 -1.30 0.00 0.00 177.93 178.55 3fi8 n ASN 287 N -4.08 -0.79 -2.70 3.26 3.02 -1.26 -3.01 115.26 109.71 3fi8 n ASN 287 Ca -0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.40 3fi8 n ASN 287 Cb 0.70 -1.49 0.06 0.00 -0.61 0.00 0.00 39.78 38.44 3fi8 n ASN 287 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3fi8 n ASP 288 N -0.09 0.67 -4.69 6.41 2.03 -1.26 -4.95 116.55 114.68 3fi8 n ASP 288 Ca 0.00 -2.53 -0.42 0.00 0.52 0.00 0.00 54.79 52.36 3fi8 n ASP 288 Cb 0.05 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 3fi8 n ASP 288 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3fi8 s LEU 289 N -3.30 4.26 -0.08 -2.67 2.96 -1.26 -4.80 118.68 113.79 3fi8 s LEU 289 Ca 0.25 1.64 -0.32 0.00 -0.22 0.00 0.00 54.13 55.48 3fi8 s LEU 289 Cb 0.43 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.68 3fi8 s LEU 289 CO -0.01 -0.51 1.09 0.00 -1.32 0.00 0.00 176.35 175.61 3fi8 s GLN 290 N 2.11 0.57 0.26 1.98 -2.07 -1.26 -3.54 119.66 117.71 3fi8 s GLN 290 Ca 0.51 -0.24 -0.01 0.00 -1.82 0.00 0.00 55.36 53.80 3fi8 s GLN 290 Cb -0.21 0.24 0.51 0.00 -1.09 0.00 0.00 33.01 32.46 3fi8 s GLN 290 CO 0.19 -0.25 1.79 1.05 -1.32 0.00 0.00 175.29 176.75 3fi8 h GLU 291 N 2.00 0.74 0.00 9.60 9.09 -1.89 -1.66 114.58 132.46 3fi8 h GLU 291 Ca -0.17 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.19 3fi8 h GLU 291 Cb 1.20 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3fi8 h GLU 291 CO 0.26 0.49 0.00 0.09 0.05 0.00 0.00 179.01 179.90 3fi8 n ASN 292 N -4.77 0.08 -1.06 3.06 3.02 -1.26 -2.14 115.26 112.20 3fi8 n ASN 292 Ca 0.17 0.52 0.10 0.00 -0.03 0.00 0.00 54.58 55.34 3fi8 n ASN 292 Cb 0.38 -0.54 0.23 0.00 -0.61 0.00 0.00 39.78 39.24 3fi8 n ASN 292 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fi8 n ASN 293 N -1.59 3.42 -4.06 6.41 3.02 -0.63 -4.86 115.26 116.97 3fi8 n ASN 293 Ca 0.03 -1.96 -0.32 0.00 -0.03 0.00 0.00 54.58 52.30 3fi8 n ASN 293 Cb 0.15 -0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 38.85 3fi8 n ASN 293 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fi8 s ILE 294 N -1.14 2.04 -0.03 2.41 1.01 -0.91 -1.30 121.20 123.29 3fi8 s ILE 294 Ca 0.37 -1.39 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 3fi8 s ILE 294 Cb 0.20 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 3fi8 s ILE 294 CO 0.27 0.11 0.56 -0.04 0.00 0.00 0.00 174.94 175.84 3fi8 s MET 295 N 1.20 4.29 -0.25 2.79 -1.94 0.10 -1.35 119.30 124.14 3fi8 s MET 295 Ca -0.05 0.66 0.01 0.00 -1.71 0.00 0.00 55.69 54.59 3fi8 s MET 295 Cb -0.18 -3.35 0.04 0.00 2.01 0.00 0.00 34.83 33.35 3fi8 s MET 295 CO -0.07 0.35 -0.10 1.21 -0.01 0.00 0.00 175.02 176.40 3fi8 s ASN 296 N -0.10 4.23 -0.33 3.03 2.47 -0.08 0.02 114.94 124.17 3fi8 s ASN 296 Ca 0.30 -1.09 -0.02 0.00 0.42 0.00 0.00 52.86 52.47 3fi8 s ASN 296 Cb -0.17 -1.59 0.07 0.00 -1.45 0.00 0.00 41.25 38.10 3fi8 s ASN 296 CO 0.16 -0.15 0.07 -0.89 -3.72 0.00 0.00 177.10 172.57 3fi8 s THR 297 N 1.22 3.11 -1.52 -5.21 2.01 -0.69 -2.12 115.64 112.45 3fi8 s THR 297 Ca -0.03 -1.58 -0.05 0.00 0.31 0.00 0.00 61.69 60.34 3fi8 s THR 297 Cb -0.18 -2.90 0.05 0.00 0.01 0.00 0.00 72.50 69.48 3fi8 s THR 297 CO -0.06 -0.29 0.45 -3.20 -0.69 0.00 0.00 174.62 170.84 3fi8 n ASN 298 N 4.62 -0.93 -0.16 3.53 2.85 -1.26 -0.27 115.26 123.65 3fi8 n ASN 298 Ca -0.09 -1.05 -0.02 0.00 -0.11 0.00 0.00 54.58 53.30 3fi8 n ASN 298 Cb 0.43 -2.73 -0.01 0.00 1.24 0.00 0.00 39.78 38.71 3fi8 n ASN 298 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 3fi8 n LYS 299 N -4.42 -0.31 -3.77 1.20 2.85 -1.26 -5.01 118.16 107.43 3fi8 n LYS 299 Ca -0.21 0.38 -0.37 0.00 -1.05 0.00 0.00 58.31 57.06 3fi8 n LYS 299 Cb 0.63 -3.86 -0.13 0.00 -0.65 0.00 0.00 35.03 31.03 3fi8 n LYS 299 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fi8 s LEU 301 N 1.44 4.30 0.10 0.00 1.43 -1.26 -1.70 118.68 122.98 3fi8 s LEU 301 Ca 0.00 0.89 0.08 0.00 -1.03 0.00 0.00 54.13 54.07 3fi8 s LEU 301 Cb -0.18 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 3fi8 s LEU 301 CO 0.02 0.02 -0.21 -0.13 0.23 0.00 0.00 176.35 176.28 3fi8 s ARG 302 N 0.46 1.16 -0.05 1.70 1.81 0.10 -4.97 118.95 119.17 3fi8 s ARG 302 Ca 0.27 -1.14 -0.05 0.00 -1.72 0.00 0.00 55.73 53.09 3fi8 s ARG 302 Cb -0.16 -1.42 -0.04 0.00 -0.45 0.00 0.00 34.95 32.88 3fi8 s ARG 302 CO 0.12 0.33 0.18 -0.51 -0.68 0.00 0.00 175.30 174.74 3fi8 s LEU 303 N -1.84 4.38 0.30 2.53 1.43 -1.24 0.00 118.68 124.25 3fi8 s LEU 303 Ca 0.07 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 3fi8 s LEU 303 Cb -0.10 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 3fi8 s LEU 303 CO 0.04 0.32 0.13 0.27 0.23 0.00 0.00 176.35 177.34 3fi8 s ILE 304 N -1.21 0.48 -0.25 -0.59 -4.36 -0.42 -4.33 121.20 110.52 3fi8 s ILE 304 Ca 0.23 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.53 3fi8 s ILE 304 Cb -0.12 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.04 3fi8 s ILE 304 CO 0.13 0.00 0.33 -0.67 0.24 0.00 0.00 174.94 174.97 3fi8 n ASP 305 N -0.80 -5.51 -1.94 4.36 -0.08 -1.26 -4.85 116.55 106.47 3fi8 n ASP 305 Ca -0.00 0.36 -0.15 0.00 -1.51 0.00 0.00 54.79 53.48 3fi8 n ASP 305 Cb 0.65 -3.59 0.21 0.00 2.34 0.00 0.00 41.12 40.74 3fi8 n ASP 305 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3fi8 n PHE 306 N -0.32 2.51 0.09 -0.67 3.72 -1.26 -4.63 117.46 116.90 3fi8 n PHE 306 Ca 0.07 -1.64 0.02 0.00 -0.05 0.00 0.00 57.45 55.85 3fi8 n PHE 306 Cb 0.25 -0.79 0.39 0.00 -0.94 0.00 0.00 39.48 38.39 3fi8 n PHE 306 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fi8 h GLU 307 N 1.38 0.30 -0.23 -1.08 5.08 -1.90 -2.72 114.58 115.41 3fi8 h GLU 307 Ca 0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3fi8 h GLU 307 Cb 2.49 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.69 3fi8 h GLU 307 CO 0.87 0.38 0.00 0.66 -1.00 0.00 0.00 179.01 179.92 3fi8 n TYR 308 N -4.31 0.30 -1.96 4.33 4.02 -1.26 -4.76 117.16 113.51 3fi8 n TYR 308 Ca -0.00 -0.24 -0.41 0.00 -0.01 0.00 0.00 57.90 57.24 3fi8 n TYR 308 Cb 0.23 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 3fi8 n TYR 308 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3fi8 s SER 309 N -1.13 6.59 -0.01 7.72 0.01 -1.03 -4.68 113.70 121.17 3fi8 s SER 309 Ca 0.24 2.73 -0.21 0.00 1.31 0.00 0.00 55.95 60.02 3fi8 s SER 309 Cb 0.14 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.82 3fi8 s SER 309 CO 0.20 -0.75 0.95 0.61 0.41 0.00 0.00 173.24 174.65 3fi8 n GLY 310 N 2.23 0.33 3.74 3.44 0.00 -0.75 -4.85 105.19 109.34 3fi8 n GLY 310 Ca 0.07 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 3fi8 n GLY 310 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fi8 s TYR 311 N -2.32 2.99 0.23 1.61 2.02 -1.26 -0.98 117.35 119.64 3fi8 s TYR 311 Ca 0.22 0.92 -0.20 0.00 -0.37 0.00 0.00 57.07 57.65 3fi8 s TYR 311 Cb -0.01 -3.87 0.03 0.00 -0.40 0.00 0.00 41.96 37.72 3fi8 s TYR 311 CO -0.00 -2.92 0.62 1.21 -1.57 0.00 0.00 175.55 172.89 3fi8 s ASN 312 N 0.52 -0.32 0.23 2.29 3.84 -0.22 -0.25 114.94 121.03 3fi8 s ASN 312 Ca 0.62 -0.46 -0.31 0.00 0.21 0.00 0.00 52.86 52.92 3fi8 s ASN 312 Cb -0.43 0.65 -0.11 0.00 -0.55 0.00 0.00 41.25 40.81 3fi8 s ASN 312 CO 0.42 -1.17 1.64 -0.36 -2.79 0.00 0.00 177.10 174.84 3fi8 s PHE 313 N -3.88 2.88 0.53 0.43 0.08 -1.26 -1.64 117.98 115.12 3fi8 s PHE 313 Ca 0.09 0.57 0.20 0.00 0.12 0.00 0.00 56.93 57.91 3fi8 s PHE 313 Cb -0.03 -4.07 1.41 0.00 -0.57 0.00 0.00 43.02 39.75 3fi8 s PHE 313 CO -0.00 -3.86 2.17 1.25 -0.10 0.00 0.00 175.22 174.67 3fi8 h LEU 314 N 6.03 0.00 -0.85 -0.37 6.46 -1.09 -0.10 115.31 125.39 3fi8 h LEU 314 Ca -0.44 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 3fi8 h LEU 314 Cb 1.21 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.14 3fi8 h LEU 314 CO 0.89 0.01 -0.03 0.77 -0.62 0.00 0.00 178.44 179.46 3fi8 h SER 315 N 0.00 0.00 -0.14 1.25 4.64 -1.75 -3.08 113.55 114.47 3fi8 h SER 315 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3fi8 h SER 315 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3fi8 h SER 315 CO 0.00 0.03 -0.50 0.00 -0.87 0.00 0.00 176.83 175.49 3fi8 h ALA 316 N 1.97 0.63 -0.52 5.18 0.00 -1.30 0.72 119.26 125.94 3fi8 h ALA 316 Ca -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3fi8 h ALA 316 Cb 0.73 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3fi8 h ALA 316 CO 0.00 0.68 0.33 0.22 0.00 0.00 0.00 179.25 180.49 3fi8 h ASP 317 N 0.56 0.56 -0.35 0.00 3.58 -1.58 -1.90 116.42 117.30 3fi8 h ASP 317 Ca 0.02 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 3fi8 h ASP 317 Cb 1.07 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 3fi8 h ASP 317 CO 0.10 0.40 -0.32 0.40 -2.88 0.00 0.00 179.24 176.95 3fi8 h ILE 318 N 0.67 1.28 -1.00 2.25 2.04 -1.48 -2.68 117.51 118.59 3fi8 h ILE 318 Ca 0.20 -1.49 0.02 0.00 1.00 0.00 0.00 64.86 64.60 3fi8 h ILE 318 Cb -0.04 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3fi8 h ILE 318 CO -0.07 0.49 0.66 0.00 0.00 0.00 0.00 178.15 179.23 3fi8 h ALA 319 N 0.75 1.30 -0.06 1.87 0.00 -0.72 -0.14 119.26 122.26 3fi8 h ALA 319 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fi8 h ALA 319 Cb 0.90 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3fi8 h ALA 319 CO 0.08 0.60 0.04 -0.97 0.00 0.00 0.00 179.25 179.00 3fi8 h ASN 320 N 1.31 0.07 -0.18 0.00 -1.24 -1.22 -0.82 115.58 113.50 3fi8 h ASN 320 Ca 0.38 -0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.41 3fi8 h ASN 320 Cb -0.08 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 38.91 3fi8 h ASN 320 CO -0.10 0.08 -0.13 0.15 -1.29 0.00 0.00 177.43 176.13 3fi8 h PHE 321 N 0.06 -0.34 -0.76 0.67 3.57 -1.08 -1.81 116.94 117.25 3fi8 h PHE 321 Ca 0.02 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.65 3fi8 h PHE 321 Cb 0.02 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 3fi8 h PHE 321 CO -0.07 -0.20 0.38 0.74 -2.23 0.00 0.00 178.31 176.94 3fi8 h PHE 322 N -0.14 0.68 -0.77 0.41 -1.00 -0.75 -1.62 116.94 113.75 3fi8 h PHE 322 Ca 0.11 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 3fi8 h PHE 322 Cb 0.30 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 3fi8 h PHE 322 CO -0.28 0.22 0.42 0.82 -1.61 0.00 0.00 178.31 177.89 3fi8 h ILE 323 N 0.62 1.23 0.00 -0.55 2.04 -0.81 -2.66 117.51 117.38 3fi8 h ILE 323 Ca 0.39 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3fi8 h ILE 323 Cb 0.45 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3fi8 h ILE 323 CO -0.30 0.25 0.00 -0.62 0.00 0.00 0.00 178.15 177.48 3fi8 n GLU 324 N -4.36 0.03 0.25 2.37 -0.58 -0.62 -1.73 120.64 116.00 3fi8 n GLU 324 Ca 0.08 0.20 0.17 0.00 -0.42 0.00 0.00 57.16 57.19 3fi8 n GLU 324 Cb 0.10 -1.50 0.78 0.00 -0.57 0.00 0.00 31.44 30.24 3fi8 n GLU 324 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3fi8 h THR 325 N 0.00 0.00 -0.12 2.62 1.35 -1.39 -2.90 112.91 112.47 3fi8 h THR 325 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3fi8 h THR 325 Cb 0.27 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3fi8 h THR 325 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3fi8 n THR 326 N -2.78 0.19 -4.01 6.82 -2.24 -0.70 -4.63 114.28 106.93 3fi8 n THR 326 Ca -0.00 -0.60 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 3fi8 n THR 326 Cb 0.19 1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 69.45 3fi8 n THR 326 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3fi8 s ILE 327 N -1.38 1.58 -0.30 2.28 1.01 -1.10 -0.20 121.20 123.10 3fi8 s ILE 327 Ca 0.24 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 3fi8 s ILE 327 Cb 0.16 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 3fi8 s ILE 327 CO 0.23 0.40 0.11 -0.62 0.00 0.00 0.00 174.94 175.05 3fi8 s ASP 328 N 1.47 5.31 0.00 3.58 2.15 -0.03 -4.94 116.67 124.21 3fi8 s ASP 328 Ca 0.04 -0.57 0.25 0.00 0.43 0.00 0.00 52.55 52.69 3fi8 s ASP 328 Cb -0.14 -1.94 0.60 0.00 -0.30 0.00 0.00 42.92 41.14 3fi8 s ASP 328 CO -0.10 -0.18 1.49 -1.22 -0.17 0.00 0.00 175.17 174.99 3fi8 n TYR 329 N 4.92 0.12 0.94 -5.34 4.01 -1.26 -0.91 117.16 119.64 3fi8 n TYR 329 Ca -0.14 -0.06 0.09 0.00 -0.16 0.00 0.00 57.90 57.63 3fi8 n TYR 329 Cb 0.49 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.80 3fi8 n TYR 329 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3fi8 n SER 330 N 0.83 2.05 -4.74 7.72 3.41 -1.26 -4.71 113.62 116.92 3fi8 n SER 330 Ca 0.17 -1.85 -0.41 0.00 -0.26 0.00 0.00 58.87 56.52 3fi8 n SER 330 Cb 0.48 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3fi8 n SER 330 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3fi8 s TYR 331 N -1.64 3.40 -0.27 7.33 5.04 -1.26 -4.94 117.35 125.00 3fi8 s TYR 331 Ca 0.31 1.38 0.13 0.00 -2.44 0.00 0.00 57.07 56.44 3fi8 s TYR 331 Cb 0.17 -3.46 0.30 0.00 0.35 0.00 0.00 41.96 39.32 3fi8 s TYR 331 CO 0.24 -1.34 1.22 -1.71 -1.34 0.00 0.00 175.55 172.62 3fi8 n ASN 332 N 2.64 2.84 -4.08 4.32 5.15 -1.26 -4.25 115.26 120.61 3fi8 n ASN 332 Ca 0.05 -2.63 -0.22 0.00 -0.60 0.00 0.00 54.58 51.18 3fi8 n ASN 332 Cb 0.44 -0.33 -0.09 0.00 -0.53 0.00 0.00 39.78 39.27 3fi8 n ASN 332 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fi8 s ALA 333 N -2.11 2.38 0.24 5.20 0.00 -1.26 -4.99 121.76 121.23 3fi8 s ALA 333 Ca 0.27 -1.61 -0.31 0.00 0.00 0.00 0.00 51.96 50.30 3fi8 s ALA 333 Cb 0.21 0.94 -0.14 0.00 0.00 0.00 0.00 23.12 24.13 3fi8 s ALA 333 CO 0.07 -0.42 1.36 0.98 0.00 0.00 0.00 175.76 177.75 3fi8 n TYR 334 N -0.72 2.06 0.52 0.00 9.36 -1.26 0.09 117.16 127.19 3fi8 n TYR 334 Ca -0.02 0.47 0.05 0.00 3.32 0.00 0.00 57.90 61.73 3fi8 n TYR 334 Cb 0.65 -2.43 0.18 0.00 -0.63 0.00 0.00 39.34 37.11 3fi8 n TYR 334 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fi8 n PRO 335 N 1.87 2.28 -1.75 2.98 -0.04 -1.26 -4.91 135.00 134.17 3fi8 n PRO 335 Ca 0.11 -1.46 -0.07 0.00 -0.04 0.00 0.00 63.50 62.04 3fi8 n PRO 335 Cb 0.31 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 3fi8 n PRO 335 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3fi8 n PHE 336 N 0.52 -0.19 -3.43 0.54 3.72 0.11 -2.38 117.46 116.34 3fi8 n PHE 336 Ca 0.13 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.41 3fi8 n PHE 336 Cb 0.47 -1.76 -0.02 0.00 -0.94 0.00 0.00 39.48 37.23 3fi8 n PHE 336 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3fi8 s PHE 337 N -2.30 -0.55 -0.02 1.38 -0.12 -1.26 -4.55 117.98 110.57 3fi8 s PHE 337 Ca 0.00 0.41 0.01 0.00 -0.05 0.00 0.00 56.93 57.30 3fi8 s PHE 337 Cb 0.00 0.54 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 3fi8 s PHE 337 CO 0.00 -0.81 -0.02 0.42 -0.05 0.00 0.00 175.22 174.76 3fi8 s ILE 338 N -3.46 0.24 -0.24 -4.49 1.01 -0.08 -4.93 121.20 109.25 3fi8 s ILE 338 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 3fi8 s ILE 338 Cb -0.01 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 3fi8 s ILE 338 CO -0.10 0.11 0.12 -0.63 0.00 0.00 0.00 174.94 174.43 3fi8 s ILE 339 N 0.41 4.84 -0.40 2.92 -1.09 -1.26 -0.86 121.20 125.77 3fi8 s ILE 339 Ca -0.04 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 3fi8 s ILE 339 Cb -0.07 -3.26 0.12 0.00 -1.58 0.00 0.00 42.46 37.66 3fi8 s ILE 339 CO -0.01 0.34 0.16 0.20 -1.23 0.00 0.00 174.94 174.40 3fi8 s ASN 340 N 1.33 4.25 0.50 3.58 0.01 0.72 -4.99 114.94 120.34 3fi8 s ASN 340 Ca 0.06 -2.38 0.29 0.00 -0.71 0.00 0.00 52.86 50.12 3fi8 s ASN 340 Cb -0.15 -1.34 1.01 0.00 0.41 0.00 0.00 41.25 41.18 3fi8 s ASN 340 CO 0.05 -0.32 1.85 0.07 -1.51 0.00 0.00 177.10 177.24 3fi8 h LYS 341 N 7.22 0.00 0.00 -0.60 2.10 -1.96 -2.24 116.57 121.08 3fi8 h LYS 341 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 3fi8 h LYS 341 Cb 0.96 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 3fi8 h LYS 341 CO 0.54 0.06 -0.05 1.57 -2.00 0.00 0.00 179.45 179.58 3fi8 h LYS 342 N 0.00 0.00 -0.06 0.07 2.10 -1.95 -2.72 116.57 114.01 3fi8 h LYS 342 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fi8 h LYS 342 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 3fi8 h LYS 342 CO 0.01 0.05 0.00 0.09 -2.00 0.00 0.00 179.45 177.60 3fi8 n ASN 343 N -3.47 0.83 -4.62 7.07 3.02 -0.84 -4.90 115.26 112.34 3fi8 n ASN 343 Ca -0.02 -1.47 -0.50 0.00 -0.03 0.00 0.00 54.58 52.55 3fi8 n ASN 343 Cb 0.18 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.25 3fi8 n ASN 343 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fi8 n TYR 344 N -0.27 1.78 -1.55 3.10 9.36 -1.03 -4.64 117.16 123.91 3fi8 n TYR 344 Ca 0.17 0.51 -0.52 0.00 3.32 0.00 0.00 57.90 61.38 3fi8 n TYR 344 Cb 0.21 -2.41 -0.05 0.00 -0.63 0.00 0.00 39.34 36.46 3fi8 n TYR 344 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 3fi8 n ILE 345 N 2.94 0.50 -1.44 2.97 3.06 -1.26 -4.88 119.36 121.25 3fi8 n ILE 345 Ca 0.18 -0.12 -0.30 0.00 -2.50 0.00 0.00 62.75 60.01 3fi8 n ILE 345 Cb 0.22 -0.59 0.10 0.00 0.54 0.00 0.00 39.64 39.91 3fi8 n ILE 345 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3fi8 s SER 346 N 0.08 4.23 0.15 9.51 1.04 -1.26 -4.77 113.70 122.67 3fi8 s SER 346 Ca 0.80 1.40 -0.17 0.00 0.48 0.00 0.00 55.95 58.46 3fi8 s SER 346 Cb -0.98 -2.12 0.06 0.00 0.10 0.00 0.00 66.02 63.08 3fi8 s SER 346 CO 0.52 -2.15 1.74 0.22 0.98 0.00 0.00 173.24 174.54 3fi8 h TYR 347 N -1.21 0.14 -0.85 5.02 3.20 -1.99 0.05 116.97 121.34 3fi8 h TYR 347 Ca -0.47 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.38 3fi8 h TYR 347 Cb 1.27 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 3fi8 h TYR 347 CO 0.46 0.04 0.41 0.93 -1.64 0.00 0.00 178.16 178.36 3fi8 h GLU 348 N 0.21 1.22 -0.57 1.82 3.07 -2.00 -1.79 114.58 116.54 3fi8 h GLU 348 Ca 0.16 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 3fi8 h GLU 348 Cb 0.17 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3fi8 h GLU 348 CO -0.20 0.93 0.07 0.77 -1.40 0.00 0.00 179.01 179.18 3fi8 h SER 349 N 1.20 0.90 -0.57 1.42 0.02 -1.78 -1.83 113.55 112.91 3fi8 h SER 349 Ca 0.29 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3fi8 h SER 349 Cb 0.12 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3fi8 h SER 349 CO -0.04 0.92 0.30 0.03 -1.14 0.00 0.00 176.83 176.90 3fi8 h ARG 350 N 0.88 0.81 -0.44 3.45 3.08 -0.53 0.27 114.38 121.90 3fi8 h ARG 350 Ca 0.18 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3fi8 h ARG 350 Cb 0.43 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3fi8 h ARG 350 CO 0.01 0.63 0.12 0.82 -1.07 0.00 0.00 179.97 180.49 3fi8 h ILE 351 N 0.77 1.23 -0.74 2.04 2.04 -1.26 -0.51 117.51 121.08 3fi8 h ILE 351 Ca 0.20 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3fi8 h ILE 351 Cb 0.07 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3fi8 h ILE 351 CO -0.03 0.28 0.42 0.25 0.00 0.00 0.00 178.15 179.06 3fi8 h LEU 352 N 0.57 0.92 -0.28 1.44 5.85 -1.13 -1.18 115.31 121.50 3fi8 h LEU 352 Ca 0.14 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3fi8 h LEU 352 Cb 0.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3fi8 h LEU 352 CO -0.00 0.74 0.06 0.15 -0.34 0.00 0.00 178.44 179.05 3fi8 h PHE 353 N 1.02 0.48 -0.43 1.25 3.57 -0.32 -1.99 116.94 120.52 3fi8 h PHE 353 Ca 0.26 -0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 3fi8 h PHE 353 Cb 0.02 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3fi8 h PHE 353 CO -0.00 0.53 -0.24 0.28 -2.23 0.00 0.00 178.31 176.65 3fi8 h VAL 354 N 0.28 1.27 -0.45 1.41 2.07 -0.96 0.63 116.25 120.50 3fi8 h VAL 354 Ca 0.09 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 3fi8 h VAL 354 Cb 0.30 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3fi8 h VAL 354 CO 0.00 0.47 0.08 0.74 0.02 0.00 0.00 177.57 178.88 3fi8 h THR 355 N 0.76 1.24 -0.22 2.57 2.02 -1.23 -0.15 112.91 117.90 3fi8 h THR 355 Ca 0.10 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 3fi8 h THR 355 Cb 0.79 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3fi8 h THR 355 CO 0.07 0.31 -0.04 0.74 0.37 0.00 0.00 175.52 176.96 3fi8 h THR 356 N 0.61 1.28 -0.52 3.16 2.02 -1.12 -2.32 112.91 116.02 3fi8 h THR 356 Ca 0.14 -1.01 0.09 0.00 0.77 0.00 0.00 66.41 66.40 3fi8 h THR 356 Cb 0.38 1.51 -0.08 0.00 -1.74 0.00 0.00 68.15 68.22 3fi8 h THR 356 CO 0.01 0.31 0.08 0.22 0.37 0.00 0.00 175.52 176.51 3fi8 h TYR 357 N 0.15 0.12 0.00 3.16 3.20 -0.70 -2.34 116.97 120.56 3fi8 h TYR 357 Ca 0.06 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3fi8 h TYR 357 Cb 0.49 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3fi8 h TYR 357 CO 0.05 -0.04 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.16 3fi8 h LEU 358 N 0.21 0.00 -1.44 2.82 3.38 -0.86 0.98 115.31 120.41 3fi8 h LEU 358 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3fi8 h LEU 358 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3fi8 h LEU 358 CO -0.36 0.30 -0.11 0.77 0.09 0.00 0.00 178.44 179.13 3fi8 h SER 359 N 0.00 0.00 0.00 -0.43 4.64 -0.86 -2.36 113.55 114.54 3fi8 h SER 359 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.93 3fi8 h SER 359 Cb 0.85 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.87 3fi8 h SER 359 CO 0.04 0.11 -2.45 0.29 -0.87 0.00 0.00 176.83 173.95 3fi8 n LYS 360 N -3.29 0.66 -0.14 4.77 4.76 -0.69 -4.66 118.16 119.56 3fi8 n LYS 360 Ca -0.00 0.11 -0.12 0.00 -2.87 0.00 0.00 58.31 55.44 3fi8 n LYS 360 Cb 0.34 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.99 3fi8 n LYS 360 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3fi8 h TYR 361 N 0.00 1.02 -3.42 2.13 3.20 -0.87 -3.42 116.97 115.61 3fi8 h TYR 361 Ca -0.57 -0.25 -0.54 0.00 3.14 0.00 0.00 58.73 60.51 3fi8 h TYR 361 Cb 1.99 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.98 3fi8 h TYR 361 CO 0.02 1.03 0.12 -0.51 -1.64 0.00 0.00 178.16 177.18 3fi8 s LEU 362 N -9.12 4.53 0.72 2.82 1.43 -0.89 -4.84 118.68 113.33 3fi8 s LEU 362 Ca -0.12 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.30 3fi8 s LEU 362 Cb 0.11 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 43.17 3fi8 s LEU 362 CO 0.85 0.16 0.99 0.47 0.23 0.00 0.00 176.35 179.05 3fi8 n ASP 363 N 2.05 0.56 -0.23 2.29 8.00 -1.26 -4.87 116.55 123.09 3fi8 n ASP 363 Ca -0.06 0.67 0.09 0.00 0.71 0.00 0.00 54.79 56.20 3fi8 n ASP 363 Cb 0.50 -1.42 0.36 0.00 -0.02 0.00 0.00 41.12 40.55 3fi8 n ASP 363 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fi8 h ASP 364 N -0.24 0.66 -0.41 -2.24 3.32 -1.97 -2.18 116.42 113.36 3fi8 h ASP 364 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3fi8 h ASP 364 Cb 1.33 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3fi8 h ASP 364 CO 0.47 0.39 0.00 -1.54 -1.72 0.00 0.00 179.24 176.84 3fi8 n SER 365 N -4.51 4.22 -4.73 6.45 3.41 -1.26 -5.01 113.62 112.18 3fi8 n SER 365 Ca 0.14 -2.61 -0.41 0.00 -0.26 0.00 0.00 58.87 55.73 3fi8 n SER 365 Cb 0.34 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.69 3fi8 n SER 365 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3fi8 n THR 366 N 0.47 2.49 1.74 6.66 5.66 -0.82 -4.92 114.28 125.56 3fi8 n THR 366 Ca 0.19 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.83 3fi8 n THR 366 Cb 0.88 -1.72 0.80 0.00 -1.55 0.00 0.00 70.33 68.75 3fi8 n THR 366 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fi8 n ALA 367 N -0.05 2.53 0.00 1.79 0.00 -1.26 -5.05 120.51 118.47 3fi8 n ALA 367 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fi8 n ALA 367 Cb 0.40 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3fi8 n ALA 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fi8 n ALA 368 N -0.98 0.00 0.00 0.00 0.00 -1.26 -5.22 120.51 113.05 3fi8 n ALA 368 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3fi8 n ALA 368 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3fi8 n ALA 368 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3fi8 n ASP 370 N 0.00 0.00 -0.32 0.00 2.03 -1.26 -5.09 116.55 111.91 3fi8 n ASP 370 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 3fi8 n ASP 370 Cb 0.00 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.67 3fi8 n ASP 370 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3fi8 h GLN 371 N 0.00 0.62 -0.88 -0.67 4.15 -2.05 -2.42 115.11 113.85 3fi8 h GLN 371 Ca 0.00 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 3fi8 h GLN 371 Cb 0.00 -0.14 -0.11 0.00 0.21 0.00 0.00 27.48 27.44 3fi8 h GLN 371 CO 0.00 0.41 0.23 -0.25 -1.93 0.00 0.00 178.83 177.29 3fi8 n ASP 372 N -4.86 3.71 -0.19 -0.69 8.00 -1.26 -4.48 116.55 116.77 3fi8 n ASP 372 Ca 0.20 -2.82 -0.01 0.00 0.71 0.00 0.00 54.79 52.87 3fi8 n ASP 372 Cb 0.52 -0.67 0.09 0.00 -0.02 0.00 0.00 41.12 41.04 3fi8 n ASP 372 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3fi8 h ILE 373 N 1.48 0.80 -0.12 0.53 2.04 -1.86 0.35 117.51 120.73 3fi8 h ILE 373 Ca 0.22 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.77 3fi8 h ILE 373 Cb 1.84 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3fi8 h ILE 373 CO 0.52 0.07 -0.58 0.40 0.00 0.00 0.00 178.15 178.56 3fi8 h ILE 374 N 0.41 1.34 0.02 -0.67 1.08 -1.86 -0.61 117.51 117.21 3fi8 h ILE 374 Ca 0.28 -1.87 0.02 0.00 -0.39 0.00 0.00 64.86 62.91 3fi8 h ILE 374 Cb 0.32 2.13 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 3fi8 h ILE 374 CO -0.28 0.57 -0.19 0.44 -0.69 0.00 0.00 178.15 178.00 3fi8 h ASP 375 N 0.25 -0.55 -0.40 1.72 3.32 -1.75 0.54 116.42 119.54 3fi8 h ASP 375 Ca -0.04 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3fi8 h ASP 375 Cb 1.22 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 3fi8 h ASP 375 CO 0.12 -0.26 0.26 1.56 -1.72 0.00 0.00 179.24 179.20 3fi8 h GLN 376 N -0.32 0.51 -0.31 3.56 4.20 -0.33 -0.74 115.11 121.68 3fi8 h GLN 376 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3fi8 h GLN 376 Cb 0.38 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3fi8 h GLN 376 CO -0.16 0.34 0.20 0.35 -0.67 0.00 0.00 178.83 178.89 3fi8 h PHE 377 N 0.52 0.38 -0.43 2.96 3.57 -0.93 0.13 116.94 123.15 3fi8 h PHE 377 Ca 0.15 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3fi8 h PHE 377 Cb -0.04 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3fi8 h PHE 377 CO -0.05 0.24 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.15 3fi8 h LEU 378 N 0.42 0.70 -0.50 0.59 3.38 -0.62 -2.48 115.31 116.79 3fi8 h LEU 378 Ca 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3fi8 h LEU 378 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3fi8 h LEU 378 CO -0.03 0.80 0.16 -0.08 0.09 0.00 0.00 178.44 179.38 3fi8 h GLU 379 N 0.67 0.78 -0.57 1.13 4.81 -0.74 -2.67 114.58 118.00 3fi8 h GLU 379 Ca 0.13 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3fi8 h GLU 379 Cb 0.49 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3fi8 h GLU 379 CO 0.03 0.72 0.07 0.00 -0.73 0.00 0.00 179.01 179.10 3fi8 h ALA 380 N 1.02 1.06 -0.31 2.92 0.00 -0.77 -0.65 119.26 122.53 3fi8 h ALA 380 Ca 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fi8 h ALA 380 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fi8 h ALA 380 CO -0.01 0.60 0.18 0.82 0.00 0.00 0.00 179.25 180.84 3fi8 h ILE 381 N 0.86 1.03 -0.58 0.00 2.04 -1.47 -0.17 117.51 119.23 3fi8 h ILE 381 Ca 0.17 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 3fi8 h ILE 381 Cb 0.41 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3fi8 h ILE 381 CO 0.01 0.07 -0.02 -0.33 0.00 0.00 0.00 178.15 177.88 3fi8 h GLU 382 N 0.37 1.02 -0.07 2.37 4.39 -1.10 -0.75 114.58 120.80 3fi8 h GLU 382 Ca 0.12 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.52 3fi8 h GLU 382 Cb 0.00 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3fi8 h GLU 382 CO -0.06 1.01 -0.08 0.28 -1.16 0.00 0.00 179.01 179.00 3fi8 h VAL 383 N 0.93 0.78 -0.17 3.13 2.07 -0.96 -2.29 116.25 119.73 3fi8 h VAL 383 Ca 0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 3fi8 h VAL 383 Cb 0.57 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3fi8 h VAL 383 CO 0.03 0.00 -0.02 1.56 0.02 0.00 0.00 177.57 179.16 3fi8 h GLN 384 N -0.10 0.25 -0.71 1.57 1.08 -0.82 -2.25 115.11 114.12 3fi8 h GLN 384 Ca 0.06 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 3fi8 h GLN 384 Cb 0.18 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 3fi8 h GLN 384 CO -0.13 0.30 0.43 0.00 -0.95 0.00 0.00 178.83 178.48 3fi8 h ALA 385 N 1.74 0.95 -0.40 3.87 0.00 -0.57 -2.27 119.26 122.57 3fi8 h ALA 385 Ca 0.06 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3fi8 h ALA 385 Cb 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3fi8 h ALA 385 CO 0.01 0.17 -0.17 1.25 0.00 0.00 0.00 179.25 180.51 3fi8 h LEU 386 N 0.82 -0.59 -1.33 0.00 5.85 -1.07 -2.06 115.31 116.93 3fi8 h LEU 386 Ca 0.30 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 59.12 3fi8 h LEU 386 Cb 0.09 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3fi8 h LEU 386 CO -0.14 -0.20 -0.07 1.23 -0.34 0.00 0.00 178.44 178.91 3fi8 h GLY 387 N -0.09 0.39 1.18 3.75 0.00 -1.51 -3.06 103.07 103.72 3fi8 h GLY 387 Ca 0.19 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 3fi8 h GLY 387 CO -0.46 0.22 0.06 1.41 0.00 0.00 0.00 176.54 177.76 3fi8 h LEU 388 N 0.34 0.96 -0.66 3.11 3.38 -0.84 -0.17 115.31 121.44 3fi8 h LEU 388 Ca 0.07 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3fi8 h LEU 388 Cb 0.35 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3fi8 h LEU 388 CO 0.02 0.98 0.41 0.45 0.09 0.00 0.00 178.44 180.39 3fi8 h HIS 389 N 0.93 0.77 -0.18 1.13 3.86 -1.37 0.14 115.15 120.44 3fi8 h HIS 389 Ca 0.18 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3fi8 h HIS 389 Cb 0.46 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3fi8 h HIS 389 CO 0.03 0.45 0.07 -0.07 0.86 0.00 0.00 177.93 179.27 3fi8 h LEU 390 N 0.81 0.24 0.39 2.43 3.38 -1.45 -1.35 115.31 119.76 3fi8 h LEU 390 Ca 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3fi8 h LEU 390 Cb 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3fi8 h LEU 390 CO -0.10 0.33 -0.26 0.40 0.09 0.00 0.00 178.44 178.90 3fi8 h ILE 391 N 0.14 0.46 -0.09 1.22 2.04 -0.63 -0.61 117.51 120.03 3fi8 h ILE 391 Ca 0.06 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 3fi8 h ILE 391 Cb 0.16 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3fi8 h ILE 391 CO -0.01 0.00 -0.41 -0.50 0.00 0.00 0.00 178.15 177.24 3fi8 h TRP 392 N -0.63 0.23 -0.35 1.37 4.06 -0.82 -0.61 115.95 119.20 3fi8 h TRP 392 Ca -0.04 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 3fi8 h TRP 392 Cb 0.53 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 3fi8 h TRP 392 CO -0.11 0.58 0.21 0.00 -3.56 0.00 0.00 178.44 175.55 3fi8 h ALA 393 N 1.41 0.44 -0.24 1.49 0.00 -0.98 -1.08 119.26 120.31 3fi8 h ALA 393 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3fi8 h ALA 393 Cb 0.79 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3fi8 h ALA 393 CO 0.06 -0.05 0.06 0.74 0.00 0.00 0.00 179.25 180.06 3fi8 h PHE 394 N 0.45 0.41 -0.69 0.00 0.04 -0.92 -0.63 116.94 115.60 3fi8 h PHE 394 Ca 0.12 -0.05 0.15 0.00 2.80 0.00 0.00 57.97 60.99 3fi8 h PHE 394 Cb 0.02 -0.11 -0.13 0.00 2.20 0.00 0.00 35.95 37.93 3fi8 h PHE 394 CO -0.04 0.48 -0.08 2.35 -0.60 0.00 0.00 178.31 180.42 3fi8 h TRP 395 N 0.22 -0.20 -0.14 -0.55 7.01 -1.07 -1.34 115.95 119.88 3fi8 h TRP 395 Ca 0.08 0.06 -0.17 0.00 2.11 0.00 0.00 58.89 60.96 3fi8 h TRP 395 Cb 0.28 0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 3fi8 h TRP 395 CO 0.01 -0.25 -0.63 1.03 -2.79 0.00 0.00 178.44 175.80 3fi8 h SER 396 N 0.05 0.58 -0.34 2.65 0.87 -0.85 -1.94 113.55 114.57 3fi8 h SER 396 Ca 0.35 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3fi8 h SER 396 Cb 0.58 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3fi8 h SER 396 CO -0.66 1.06 0.19 0.40 -0.53 0.00 0.00 176.83 177.29 3fi8 h ILE 397 N 0.37 1.02 -0.71 2.23 2.04 -0.66 0.13 117.51 121.93 3fi8 h ILE 397 Ca -0.01 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.74 3fi8 h ILE 397 Cb 1.19 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3fi8 h ILE 397 CO 0.12 0.07 0.45 0.40 0.00 0.00 0.00 178.15 179.19 3fi8 h ILE 398 N 0.39 1.13 -0.30 -0.67 2.04 -1.10 -0.27 117.51 118.73 3fi8 h ILE 398 Ca 0.13 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 3fi8 h ILE 398 Cb 0.01 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3fi8 h ILE 398 CO -0.07 0.16 -0.37 0.03 0.00 0.00 0.00 178.15 177.91 3fi8 h ARG 399 N 0.90 0.68 0.07 2.37 3.08 -1.11 -1.08 114.38 119.29 3fi8 h ARG 399 Ca 0.28 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3fi8 h ARG 399 Cb -0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3fi8 h ARG 399 CO -0.09 0.94 -0.16 0.78 -1.07 0.00 0.00 179.97 180.37 3fi8 h GLY 400 N 0.98 -0.26 1.64 0.04 0.00 -0.36 0.33 103.07 105.44 3fi8 h GLY 400 Ca 0.05 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 3fi8 h GLY 400 CO 0.08 -0.15 -0.12 -0.97 0.00 0.00 0.00 176.54 175.37 3fi8 h TYR 401 N -0.29 0.47 -0.00 5.60 -1.99 -0.92 -3.10 116.97 116.74 3fi8 h TYR 401 Ca 0.03 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3fi8 h TYR 401 Cb 0.32 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.92 3fi8 h TYR 401 CO -0.18 0.56 -0.49 0.00 -0.00 0.00 0.00 178.16 178.04 3fi8 n GLN 402 N -4.22 0.36 0.00 4.88 10.64 -0.42 -5.10 117.38 123.52 3fi8 n GLN 402 Ca 0.00 -0.23 0.00 0.00 -1.83 0.00 0.00 57.00 54.94 3fi8 n GLN 402 Cb 0.31 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 3fi8 n GLN 402 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 3fi8 n THR 403 N -1.12 0.00 -1.63 -0.39 -2.24 0.09 -5.06 114.28 103.94 3fi8 n THR 403 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3fi8 n THR 403 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3fi8 n THR 403 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3fi8 n PHE 409 N 0.00 -1.13 -2.77 4.78 7.35 -1.26 -4.94 117.46 119.49 3fi8 n PHE 409 Ca 0.00 0.66 -0.42 0.00 -0.76 0.00 0.00 57.45 56.93 3fi8 n PHE 409 Cb 0.00 -1.21 -0.03 0.00 0.35 0.00 0.00 39.48 38.58 3fi8 n PHE 409 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3fi8 s ASP 410 N -0.30 6.25 0.31 -2.13 -1.08 -1.00 -4.87 116.67 113.85 3fi8 s ASP 410 Ca 0.00 -1.02 0.04 0.00 -0.52 0.00 0.00 52.55 51.04 3fi8 s ASP 410 Cb 0.00 -2.46 0.50 0.00 -1.46 0.00 0.00 42.92 39.50 3fi8 s ASP 410 CO 0.00 -1.50 1.79 -0.26 0.52 0.00 0.00 175.17 175.72 3fi8 h PHE 411 N 9.61 0.52 0.06 -5.34 0.04 -1.91 -1.60 116.94 118.32 3fi8 h PHE 411 Ca -0.19 -0.08 -0.28 0.00 2.80 0.00 0.00 57.97 60.22 3fi8 h PHE 411 Cb 1.05 -0.14 0.02 0.00 2.20 0.00 0.00 35.95 39.09 3fi8 h PHE 411 CO 1.06 0.62 -1.13 0.74 -0.60 0.00 0.00 178.31 178.99 3fi8 h PHE 412 N 0.45 0.98 -0.60 -0.55 0.04 -1.89 -0.38 116.94 114.98 3fi8 h PHE 412 Ca 0.08 -0.58 -0.08 0.00 2.80 0.00 0.00 57.97 60.20 3fi8 h PHE 412 Cb 0.52 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3fi8 h PHE 412 CO 0.02 1.42 0.06 1.25 -0.60 0.00 0.00 178.31 180.46 3fi8 h LEU 413 N 0.32 0.96 -0.46 1.54 5.85 -1.94 -1.30 115.31 120.28 3fi8 h LEU 413 Ca -0.15 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3fi8 h LEU 413 Cb 1.80 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3fi8 h LEU 413 CO 0.22 0.98 0.13 0.22 -0.34 0.00 0.00 178.44 179.65 3fi8 h TYR 414 N 0.93 0.75 -0.35 1.25 3.20 -1.17 -0.04 116.97 121.55 3fi8 h TYR 414 Ca 0.18 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3fi8 h TYR 414 Cb 0.45 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3fi8 h TYR 414 CO 0.03 0.67 0.04 0.00 -1.64 0.00 0.00 178.16 177.27 3fi8 h ALA 415 N 0.99 0.35 -0.27 1.82 0.00 -0.96 0.20 119.26 121.39 3fi8 h ALA 415 Ca 0.15 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3fi8 h ALA 415 Cb 0.28 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3fi8 h ALA 415 CO -0.00 -0.36 -0.01 -0.22 0.00 0.00 0.00 179.25 178.65 3fi8 h LYS 416 N 0.15 0.06 -0.71 0.00 3.64 -0.72 0.92 116.57 119.91 3fi8 h LYS 416 Ca 0.17 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3fi8 h LYS 416 Cb 0.20 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3fi8 h LYS 416 CO -0.24 0.04 0.46 0.93 -2.27 0.00 0.00 179.45 178.37 3fi8 h GLU 417 N 0.07 0.90 0.00 1.90 4.39 -0.73 -0.84 114.58 120.27 3fi8 h GLU 417 Ca 0.13 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 3fi8 h GLU 417 Cb 0.18 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3fi8 h GLU 417 CO -0.23 0.59 -0.27 0.00 -1.16 0.00 0.00 179.01 177.94 3fi8 h ARG 418 N 0.92 0.00 -0.14 2.33 2.47 -0.03 -1.76 114.38 118.17 3fi8 h ARG 418 Ca 0.27 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.78 3fi8 h ARG 418 Cb -0.06 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3fi8 h ARG 418 CO -0.08 0.27 -0.75 -0.07 0.56 0.00 0.00 179.97 179.90 3fi8 h LEU 419 N 0.00 0.81 -1.31 3.04 3.38 0.10 -0.94 115.31 120.40 3fi8 h LEU 419 Ca -0.00 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 3fi8 h LEU 419 Cb 0.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3fi8 h LEU 419 CO 0.04 1.31 0.29 0.11 0.09 0.00 0.00 178.44 180.27 3fi8 h LYS 420 N 0.47 0.77 -0.42 1.13 1.57 -1.00 -1.32 116.57 117.77 3fi8 h LYS 420 Ca -0.04 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3fi8 h LYS 420 Cb 1.36 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3fi8 h LYS 420 CO 0.15 0.58 0.11 0.52 -0.57 0.00 0.00 179.45 180.23 3fi8 h MET 421 N 0.77 0.66 -0.32 3.15 2.86 -1.05 -0.96 114.93 120.04 3fi8 h MET 421 Ca 0.20 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 3fi8 h MET 421 Cb 0.04 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.53 3fi8 h MET 421 CO -0.03 0.67 -0.31 -0.92 1.06 0.00 0.00 176.91 177.38 3fi8 h TYR 422 N 0.53 -0.87 -0.33 -0.22 3.20 -0.41 0.28 116.97 119.15 3fi8 h TYR 422 Ca 0.13 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3fi8 h TYR 422 Cb 0.31 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 3fi8 h TYR 422 CO 0.02 -0.38 0.09 -0.44 -1.64 0.00 0.00 178.16 175.81 3fi8 h ASP 423 N -0.29 0.08 -0.62 -2.11 3.32 -1.02 0.19 116.42 115.96 3fi8 h ASP 423 Ca 0.15 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3fi8 h ASP 423 Cb 0.53 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3fi8 h ASP 423 CO -0.48 0.08 0.28 -0.33 -1.72 0.00 0.00 179.24 177.07 3fi8 h GLU 424 N 0.23 0.91 -0.64 3.56 5.08 -0.80 -2.07 114.58 120.85 3fi8 h GLU 424 Ca 0.15 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3fi8 h GLU 424 Cb 0.15 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3fi8 h GLU 424 CO -0.18 0.75 0.08 0.37 -1.00 0.00 0.00 179.01 179.03 3fi8 h GLN 425 N 0.86 1.07 -0.57 2.33 5.75 0.11 -1.95 115.11 122.71 3fi8 h GLN 425 Ca 0.21 -0.30 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3fi8 h GLN 425 Cb 0.16 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3fi8 h GLN 425 CO -0.02 1.00 0.22 -0.22 -2.65 0.00 0.00 178.83 177.16 3fi8 h LYS 426 N 0.99 0.85 -0.17 1.69 3.64 -0.48 -0.46 116.57 122.62 3fi8 h LYS 426 Ca 0.19 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3fi8 h LYS 426 Cb 0.47 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3fi8 h LYS 426 CO 0.02 0.74 0.08 0.37 -2.27 0.00 0.00 179.45 178.38 3fi8 h GLN 427 N 0.78 0.16 -0.26 1.90 4.15 -1.20 -2.01 115.11 118.63 3fi8 h GLN 427 Ca 0.19 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.66 3fi8 h GLN 427 Cb 0.21 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.79 3fi8 h GLN 427 CO -0.01 0.11 -0.21 -0.92 -1.93 0.00 0.00 178.83 175.87 3fi8 h TYR 428 N 0.17 -0.53 0.05 3.99 3.20 -0.80 -1.05 116.97 122.00 3fi8 h TYR 428 Ca 0.07 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3fi8 h TYR 428 Cb 0.02 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3fi8 h TYR 428 CO -0.09 -0.28 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.05 3fi8 h LEU 429 N -0.20 -0.06 -1.91 2.82 3.38 -0.97 -2.62 115.31 115.75 3fi8 h LEU 429 Ca 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fi8 h LEU 429 Cb 0.42 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3fi8 h LEU 429 CO -0.38 -0.02 -0.01 0.24 0.09 0.00 0.00 178.44 178.37 3fi8 h MET 430 N -0.09 0.00 0.57 1.13 2.86 -1.19 -2.55 114.93 115.65 3fi8 h MET 430 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fi8 h MET 430 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3fi8 h MET 430 CO 0.01 0.01 -0.28 0.77 1.06 0.00 0.00 176.91 178.48 3fi8 h SER 431 N 0.00 -0.67 -0.01 1.22 0.02 -0.80 -3.51 113.55 109.80 3fi8 h SER 431 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3fi8 h SER 431 Cb 0.36 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3fi8 h SER 431 CO 0.00 -0.47 0.00 0.29 -1.14 0.00 0.00 176.83 175.51