#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qye n SER 73 N 0.00 1.69 -4.79 4.39 3.41 -1.26 -4.90 113.62 112.16 1qye n SER 73 Ca 0.00 0.11 -0.37 0.00 -0.26 0.00 0.00 58.87 58.34 1qye n SER 73 Cb 0.00 -1.26 -0.06 0.00 -0.26 0.00 0.00 64.21 62.63 1qye n SER 73 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1qye s GLU 74 N 7.48 4.02 0.12 4.33 2.12 -1.12 -4.96 118.70 130.69 1qye s GLU 74 Ca 1.13 0.19 -0.04 0.00 0.36 0.00 0.00 54.97 56.62 1qye s GLU 74 Cb -0.79 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 1qye s GLU 74 CO 0.43 0.47 0.35 0.15 -0.54 0.00 0.00 175.26 176.12 1qye s LYS 75 N -0.29 3.59 0.03 4.30 3.01 -1.26 -2.55 119.74 126.57 1qye s LYS 75 Ca 0.19 -0.13 -0.03 0.00 -1.01 0.00 0.00 55.97 54.99 1qye s LYS 75 Cb -0.14 -2.89 -0.02 0.00 -1.01 0.00 0.00 37.83 33.77 1qye s LYS 75 CO 0.08 0.50 0.03 -0.06 0.51 0.00 0.00 175.35 176.40 1qye s PHE 76 N -1.62 0.24 0.01 3.18 0.40 0.64 -5.00 117.98 115.83 1qye s PHE 76 Ca 0.40 -0.53 -0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1qye s PHE 76 Cb -0.12 -0.18 -0.04 0.00 0.51 0.00 0.00 43.02 43.19 1qye s PHE 76 CO 0.25 -0.27 0.09 0.00 0.70 0.00 0.00 175.22 175.99 1qye s ALA 77 N -2.03 3.63 0.71 5.36 0.00 -1.26 -1.23 121.76 126.93 1qye s ALA 77 Ca -0.10 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1qye s ALA 77 Cb -0.05 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.49 1qye s ALA 77 CO -0.03 0.71 1.09 -0.06 0.00 0.00 0.00 175.76 177.47 1qye s PHE 78 N -1.23 2.70 0.48 0.00 0.40 -1.26 -4.94 117.98 114.12 1qye s PHE 78 Ca 0.24 1.53 -0.21 0.00 -0.60 0.00 0.00 56.93 57.89 1qye s PHE 78 Cb -0.12 -3.07 -0.08 0.00 0.51 0.00 0.00 43.02 40.26 1qye s PHE 78 CO 0.16 -1.62 1.08 -1.14 0.70 0.00 0.00 175.22 174.39 1qye s GLN 79 N -4.55 3.78 0.18 0.44 0.74 -0.96 -4.88 119.66 114.41 1qye s GLN 79 Ca 0.63 1.51 -0.18 0.00 0.05 0.00 0.00 55.36 57.37 1qye s GLN 79 Cb -0.18 -2.22 0.12 0.00 1.10 0.00 0.00 33.01 31.84 1qye s GLN 79 CO 0.49 -0.47 1.63 0.00 -0.55 0.00 0.00 175.29 176.38 1qye h ALA 80 N 1.76 0.14 -0.89 1.58 0.00 -1.94 -0.90 119.26 119.01 1qye h ALA 80 Ca -0.49 0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.73 1qye h ALA 80 Cb 1.23 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.45 1qye h ALA 80 CO 0.59 -0.55 0.57 0.93 0.00 0.00 0.00 179.25 180.80 1qye h GLU 81 N -0.10 0.64 -0.10 0.00 3.07 -1.97 -0.64 114.58 115.47 1qye h GLU 81 Ca 0.22 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.87 1qye h GLU 81 Cb 0.44 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1qye h GLU 81 CO -0.52 0.42 -0.65 0.28 -1.40 0.00 0.00 179.01 177.14 1qye h VAL 82 N 0.65 1.37 -0.36 3.13 2.07 -1.52 0.25 116.25 121.84 1qye h VAL 82 Ca 0.45 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 1qye h VAL 82 Cb 0.77 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1qye h VAL 82 CO -0.20 0.61 0.14 0.78 0.02 0.00 0.00 177.57 178.92 1qye h ASN 83 N 0.28 0.50 -0.50 0.57 2.35 -0.52 0.22 115.58 118.48 1qye h ASN 83 Ca -0.01 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 1qye h ASN 83 Cb 1.20 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 1qye h ASN 83 CO 0.11 0.53 0.01 -0.09 -1.65 0.00 0.00 177.43 176.34 1qye h ARG 84 N 0.43 0.88 -0.65 0.81 2.43 -1.06 -2.55 114.38 114.66 1qye h ARG 84 Ca 0.12 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1qye h ARG 84 Cb 0.19 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1qye h ARG 84 CO -0.01 0.91 0.38 1.98 -1.51 0.00 0.00 179.97 181.72 1qye h MET 85 N 0.75 0.90 -0.46 0.20 4.05 -0.25 -1.42 114.93 118.70 1qye h MET 85 Ca 0.14 -0.09 0.05 0.00 -0.28 0.00 0.00 59.70 59.53 1qye h MET 85 Cb 0.50 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.07 1qye h MET 85 CO 0.02 0.66 0.18 0.52 0.23 0.00 0.00 176.91 178.52 1qye h MET 86 N 0.89 0.35 -0.60 0.39 2.86 -0.34 -0.23 114.93 118.25 1qye h MET 86 Ca 0.23 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1qye h MET 86 Cb 0.01 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1qye h MET 86 CO -0.04 0.23 0.21 0.87 1.06 0.00 0.00 176.91 179.24 1qye h LYS 87 N 0.37 0.92 -0.11 1.72 1.57 -1.05 0.27 116.57 120.26 1qye h LYS 87 Ca 0.21 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1qye h LYS 87 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1qye h LYS 87 CO -0.20 0.81 0.07 -0.07 -0.57 0.00 0.00 179.45 179.49 1qye h LEU 88 N 0.85 0.12 -0.18 2.94 3.38 -0.81 -0.73 115.31 120.86 1qye h LEU 88 Ca 0.20 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1qye h LEU 88 Cb 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1qye h LEU 88 CO -0.01 0.09 0.10 0.40 0.09 0.00 0.00 178.44 179.10 1qye h ILE 89 N 0.14 1.01 -0.08 1.22 2.04 -0.85 -1.63 117.51 119.37 1qye h ILE 89 Ca 0.04 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1qye h ILE 89 Cb -0.01 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1qye h ILE 89 CO -0.01 0.04 0.05 0.40 0.00 0.00 0.00 178.15 178.63 1qye h ILE 90 N 0.21 1.04 0.00 -0.67 2.04 -0.71 -2.13 117.51 117.29 1qye h ILE 90 Ca 0.07 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1qye h ILE 90 Cb 0.00 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1qye h ILE 90 CO -0.04 0.04 0.00 0.78 0.00 0.00 0.00 178.15 178.92 1qye h ASN 91 N 0.09 0.00 0.47 1.72 4.21 -1.07 -1.00 115.58 120.00 1qye h ASN 91 Ca 0.03 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.30 1qye h ASN 91 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1qye h ASN 91 CO -0.01 0.00 -1.06 -1.28 -1.29 0.00 0.00 177.43 173.80 1qye h SER 92 N 0.00 0.47 -0.29 5.81 0.87 -0.64 -3.30 113.55 116.47 1qye h SER 92 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1qye h SER 92 Cb 0.38 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1qye h SER 92 CO 0.00 1.26 0.00 0.18 -0.53 0.00 0.00 176.83 177.74 1qye n LEU 93 N -3.66 3.39 -0.00 2.23 4.77 -0.98 -4.71 117.00 118.04 1qye n LEU 93 Ca -0.07 -2.53 0.18 0.00 -0.03 0.00 0.00 56.01 53.56 1qye n LEU 93 Cb 0.91 -0.39 0.65 0.00 -2.33 0.00 0.00 43.42 42.26 1qye n LEU 93 CO 0.52 0.70 1.18 0.22 -1.33 0.00 0.00 177.39 178.67 1qye h TYR 94 N 1.84 0.08 -0.67 -1.77 3.20 -1.27 0.17 116.97 118.56 1qye h TYR 94 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1qye h TYR 94 Cb 1.09 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1qye h TYR 94 CO 0.36 0.04 0.00 1.63 -1.64 0.00 0.00 178.16 178.54 1qye n LYS 95 N -4.41 2.59 -2.78 1.82 4.76 -1.26 -4.30 118.16 114.59 1qye n LYS 95 Ca 0.09 -2.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.06 1qye n LYS 95 Cb 0.53 -1.54 0.05 0.00 -1.84 0.00 0.00 35.03 32.24 1qye n LYS 95 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1qye n ASN 96 N 1.52 1.37 -0.44 4.39 3.02 0.56 -4.95 115.26 120.73 1qye n ASN 96 Ca 0.23 -2.03 0.37 0.00 -0.03 0.00 0.00 54.58 53.12 1qye n ASN 96 Cb 0.58 -0.41 0.62 0.00 -0.61 0.00 0.00 39.78 39.97 1qye n ASN 96 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qye n LYS 97 N -0.61 -0.03 0.22 3.52 5.02 -0.93 -0.29 118.16 125.05 1qye n LYS 97 Ca 0.05 1.14 0.17 0.00 -2.02 0.00 0.00 58.31 57.66 1qye n LYS 97 Cb 0.82 -2.26 0.86 0.00 -0.02 0.00 0.00 35.03 34.43 1qye n LYS 97 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1qye h GLU 98 N 0.00 0.00 0.00 1.97 9.09 -1.92 -1.97 114.58 121.75 1qye h GLU 98 Ca 0.81 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.22 1qye h GLU 98 Cb 2.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.73 1qye h GLU 98 CO -0.41 0.00 0.00 -0.89 0.05 0.00 0.00 179.01 177.76 1qye n ILE 99 N -3.68 1.25 -0.27 -1.06 5.41 0.60 -2.56 119.36 119.06 1qye n ILE 99 Ca 0.01 0.54 -0.01 0.00 1.00 0.00 0.00 62.75 64.29 1qye n ILE 99 Cb 0.31 -1.51 0.17 0.00 -0.71 0.00 0.00 39.64 37.91 1qye n ILE 99 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 1qye h PHE 100 N 0.00 1.07 -0.56 1.39 -0.00 -1.58 -2.48 116.94 114.78 1qye h PHE 100 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.92 1qye h PHE 100 Cb 0.09 -0.35 -0.02 0.00 -0.00 0.00 0.00 35.95 35.66 1qye h PHE 100 CO 0.00 0.71 0.18 1.25 -0.00 0.00 0.00 178.31 180.45 1qye h LEU 101 N 1.12 0.82 -0.98 2.10 5.85 -1.75 -1.63 115.31 120.83 1qye h LEU 101 Ca 0.29 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1qye h LEU 101 Cb -0.04 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1qye h LEU 101 CO -0.05 0.80 0.64 -0.09 -0.34 0.00 0.00 178.44 179.40 1qye h ARG 102 N 0.79 1.18 -0.27 1.25 2.43 -1.62 -0.99 114.38 117.13 1qye h ARG 102 Ca 0.18 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 1qye h ARG 102 Cb 0.28 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1qye h ARG 102 CO -0.01 0.78 -0.48 0.93 -1.51 0.00 0.00 179.97 179.68 1qye h GLU 103 N 1.21 0.74 -0.46 0.20 4.39 -1.14 -0.50 114.58 119.02 1qye h GLU 103 Ca 0.40 -0.43 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 1qye h GLU 103 Cb 0.06 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1qye h GLU 103 CO -0.14 1.05 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.54 1qye h LEU 104 N 0.59 0.87 -0.47 1.33 3.38 -0.84 0.15 115.31 120.32 1qye h LEU 104 Ca 0.03 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1qye h LEU 104 Cb 1.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1qye h LEU 104 CO 0.10 1.02 -0.21 0.40 0.09 0.00 0.00 178.44 179.84 1qye h ILE 105 N 0.77 1.27 -0.73 1.22 2.04 -1.10 -1.35 117.51 119.63 1qye h ILE 105 Ca 0.12 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1qye h ILE 105 Cb 0.67 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1qye h ILE 105 CO 0.05 0.47 0.40 -1.28 0.00 0.00 0.00 178.15 177.79 1qye h SER 106 N 0.83 0.91 -0.44 1.72 0.87 -0.85 0.50 113.55 117.10 1qye h SER 106 Ca 0.11 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1qye h SER 106 Cb 0.79 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1qye h SER 106 CO 0.07 0.75 0.21 0.78 -0.53 0.00 0.00 176.83 178.11 1qye h ASN 107 N 1.01 0.57 -0.75 6.23 2.35 -0.74 -0.78 115.58 123.46 1qye h ASN 107 Ca 0.26 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1qye h ASN 107 Cb 0.04 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 1qye h ASN 107 CO -0.04 0.53 0.49 0.00 -1.65 0.00 0.00 177.43 176.77 1qye h ALA 108 N 1.06 0.96 -0.48 -0.83 0.00 -0.80 -1.23 119.26 117.93 1qye h ALA 108 Ca 0.15 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1qye h ALA 108 Cb 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1qye h ALA 108 CO -0.02 0.38 0.26 1.03 0.00 0.00 0.00 179.25 180.91 1qye h SER 109 N 1.02 0.40 -0.35 0.00 0.87 -0.42 0.44 113.55 115.52 1qye h SER 109 Ca 0.28 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1qye h SER 109 Cb -0.11 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1qye h SER 109 CO -0.06 0.29 0.21 0.44 -0.53 0.00 0.00 176.83 177.17 1qye h ASP 110 N 0.52 0.34 -0.40 6.23 3.45 -0.51 -0.28 116.42 125.77 1qye h ASP 110 Ca 0.20 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.63 1qye h ASP 110 Cb 0.07 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1qye h ASP 110 CO -0.12 0.25 0.17 0.00 -1.57 0.00 0.00 179.24 177.97 1qye h ALA 111 N 1.15 1.45 -0.29 3.45 0.00 -0.76 -1.25 119.26 123.01 1qye h ALA 111 Ca 0.14 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1qye h ALA 111 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1qye h ALA 111 CO -0.06 0.42 -0.48 -0.07 0.00 0.00 0.00 179.25 179.06 1qye h LEU 112 N 0.64 0.87 -0.64 0.00 3.38 -0.29 -0.62 115.31 118.65 1qye h LEU 112 Ca 0.16 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1qye h LEU 112 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1qye h LEU 112 CO -0.01 1.20 0.07 0.44 0.09 0.00 0.00 178.44 180.23 1qye h ASP 113 N 0.63 1.05 0.05 -0.43 3.32 -0.47 -1.61 116.42 118.94 1qye h ASP 113 Ca 0.03 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1qye h ASP 113 Cb 1.06 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1qye h ASP 113 CO 0.11 1.06 -0.02 0.11 -1.72 0.00 0.00 179.24 178.77 1qye h LYS 114 N 1.00 -0.06 -0.59 3.56 1.57 -1.17 -0.28 116.57 120.60 1qye h LYS 114 Ca 0.19 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1qye h LYS 114 Cb 0.48 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1qye h LYS 114 CO 0.02 0.02 0.20 0.97 -0.57 0.00 0.00 179.45 180.08 1qye h ILE 115 N -0.12 1.22 -0.64 1.86 6.09 -1.42 -0.42 117.51 124.08 1qye h ILE 115 Ca -0.01 -0.74 -0.02 0.00 -1.37 0.00 0.00 64.86 62.72 1qye h ILE 115 Cb 0.11 0.56 -0.03 0.00 0.47 0.00 0.00 36.82 37.93 1qye h ILE 115 CO 0.01 0.29 0.31 -0.09 -3.07 0.00 0.00 178.15 175.60 1qye h ARG 116 N 0.85 0.93 -0.44 2.19 2.43 -0.96 0.68 114.38 120.06 1qye h ARG 116 Ca 0.20 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1qye h ARG 116 Cb 0.23 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1qye h ARG 116 CO -0.01 0.74 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.88 1qye h LEU 117 N 0.89 0.96 -1.43 3.80 3.38 -0.55 -2.58 115.31 119.77 1qye h LEU 117 Ca 0.22 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1qye h LEU 117 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1qye h LEU 117 CO -0.03 1.15 -0.02 0.40 0.09 0.00 0.00 178.44 180.03 1qye h ILE 118 N 0.80 1.16 0.00 1.22 2.04 -0.65 -1.56 117.51 120.52 1qye h ILE 118 Ca 0.10 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1qye h ILE 118 Cb 0.81 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1qye h ILE 118 CO 0.07 0.21 -0.06 0.77 0.00 0.00 0.00 178.15 179.14 1qye h SER 119 N 0.33 0.00 0.54 1.72 4.64 -0.46 0.21 113.55 120.53 1qye h SER 119 Ca 0.07 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1qye h SER 119 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1qye h SER 119 CO 0.01 0.06 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.62 1qye h LEU 120 N 0.00 0.00 0.00 5.97 3.38 -1.19 -3.36 115.31 120.11 1qye h LEU 120 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qye h LEU 120 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1qye h LEU 120 CO 0.01 0.34 -0.61 0.35 0.09 0.00 0.00 178.44 178.61 1qye n THR 121 N -3.80 0.94 -2.21 0.22 -2.24 -0.47 -4.93 114.28 101.79 1qye n THR 121 Ca -0.01 0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.62 1qye n THR 121 Cb 0.42 -2.02 -0.03 0.00 -2.10 0.00 0.00 70.33 66.61 1qye n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qye s ASP 122 N -5.21 6.82 0.24 3.42 -1.08 0.61 -4.91 116.67 116.56 1qye s ASP 122 Ca -0.18 2.05 0.09 0.00 -0.52 0.00 0.00 52.55 54.00 1qye s ASP 122 Cb 0.02 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 39.17 1qye s ASP 122 CO 0.26 -0.78 1.54 1.05 0.52 0.00 0.00 175.17 177.76 1qye h GLU 123 N 8.36 0.03 -0.66 4.34 4.11 -1.86 -3.10 114.58 125.81 1qye h GLU 123 Ca -0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1qye h GLU 123 Cb 1.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1qye h GLU 123 CO 0.93 0.71 0.00 0.09 0.07 0.00 0.00 179.01 180.81 1qye n ASN 124 N -3.73 3.87 -0.25 3.06 4.13 -1.26 -4.64 115.26 116.44 1qye n ASN 124 Ca -0.01 -2.17 0.05 0.00 1.68 0.00 0.00 54.58 54.14 1qye n ASN 124 Cb 0.68 -0.49 0.17 0.00 -1.54 0.00 0.00 39.78 38.60 1qye n ASN 124 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qye h ALA 125 N 4.13 0.85 -0.10 5.41 0.00 -1.88 -2.10 119.26 125.57 1qye h ALA 125 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1qye h ALA 125 Cb 1.07 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1qye h ALA 125 CO 0.09 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1qye n LEU 126 N -5.28 1.79 -0.31 0.00 4.77 -1.26 -4.52 117.00 112.19 1qye n LEU 126 Ca 0.14 -0.67 0.14 0.00 -0.03 0.00 0.00 56.01 55.59 1qye n LEU 126 Cb 0.47 -0.06 0.30 0.00 -2.33 0.00 0.00 43.42 41.81 1qye n LEU 126 CO 0.08 0.34 0.89 0.00 -1.33 0.00 0.00 177.39 177.37 1qye h ALA 127 N 4.27 1.27 0.00 -1.18 0.00 -1.71 0.35 119.26 122.25 1qye h ALA 127 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1qye h ALA 127 Cb 0.56 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qye h ALA 127 CO 0.00 -0.54 0.00 0.78 0.00 0.00 0.00 179.25 179.49 1qye h GLY 128 N 0.11 0.00 -5.11 0.00 0.00 -1.81 -3.40 103.07 92.86 1qye h GLY 128 Ca 0.58 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.99 1qye h GLY 128 CO -0.76 0.00 -0.11 0.21 0.00 0.00 0.00 176.54 175.88 1qye s ASN 129 N -4.71 -0.29 0.00 0.19 3.84 0.11 -4.16 114.94 109.93 1qye s ASN 129 Ca 0.01 -0.23 0.00 0.00 0.21 0.00 0.00 52.86 52.86 1qye s ASN 129 Cb 0.09 0.37 0.00 0.00 -0.55 0.00 0.00 41.25 41.16 1qye s ASN 129 CO 0.41 -0.02 0.59 -0.62 -2.79 0.00 0.00 177.10 174.67 1qye n GLU 130 N 3.21 0.00 -3.76 0.43 -0.58 -0.74 -4.66 120.64 114.55 1qye n GLU 130 Ca 0.08 0.17 -0.27 0.00 -0.42 0.00 0.00 57.16 56.72 1qye n GLU 130 Cb 0.64 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 1qye n GLU 130 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1qye s GLU 131 N -2.19 3.50 -0.49 3.49 0.41 -1.26 -5.06 118.70 117.10 1qye s GLU 131 Ca 0.00 -0.42 0.03 0.00 -0.41 0.00 0.00 54.97 54.17 1qye s GLU 131 Cb 0.00 -2.87 0.15 0.00 -1.78 0.00 0.00 34.13 29.62 1qye s GLU 131 CO 0.00 0.43 0.30 -0.51 -0.49 0.00 0.00 175.26 174.99 1qye s LEU 132 N -3.33 3.02 0.22 1.80 1.43 -1.26 -4.77 118.68 115.79 1qye s LEU 132 Ca 0.37 -2.95 0.00 0.00 -1.03 0.00 0.00 54.13 50.52 1qye s LEU 132 Cb -0.11 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1qye s LEU 132 CO 0.29 -0.22 0.15 0.42 0.23 0.00 0.00 176.35 177.23 1qye s THR 133 N -0.08 0.01 -0.17 5.49 -4.23 -1.26 -4.35 115.64 111.05 1qye s THR 133 Ca 0.21 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1qye s THR 133 Cb -0.16 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1qye s THR 133 CO -0.06 0.00 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.19 1qye s VAL 134 N -4.05 1.69 -0.14 2.29 1.01 -0.92 -1.85 120.40 118.44 1qye s VAL 134 Ca 0.39 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1qye s VAL 134 Cb 0.06 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1qye s VAL 134 CO 0.14 0.35 -0.21 -0.54 0.00 0.00 0.00 175.10 174.85 1qye s LYS 135 N 1.41 3.06 -0.07 2.72 1.02 0.14 -0.37 119.74 127.67 1qye s LYS 135 Ca 0.02 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.21 1qye s LYS 135 Cb -0.14 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1qye s LYS 135 CO -0.10 0.01 -0.17 0.42 -0.92 0.00 0.00 175.35 174.59 1qye s ILE 136 N 0.77 2.81 -0.04 2.17 1.01 0.12 -0.87 121.20 127.16 1qye s ILE 136 Ca -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1qye s ILE 136 Cb -0.16 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1qye s ILE 136 CO -0.00 0.57 0.10 -1.59 0.00 0.00 0.00 174.94 174.02 1qye s LYS 137 N -0.39 0.09 -0.17 2.79 -2.85 -0.73 -0.99 119.74 117.49 1qye s LYS 137 Ca 0.04 0.18 -0.11 0.00 -1.00 0.00 0.00 55.97 55.08 1qye s LYS 137 Cb -0.12 -0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 35.58 1qye s LYS 137 CO 0.02 -0.05 0.19 0.00 0.10 0.00 0.00 175.35 175.61 1qye n ASP 139 N 3.36 3.82 -0.32 0.00 -0.08 0.10 -4.92 116.55 118.50 1qye n ASP 139 Ca -0.15 -3.48 0.20 0.00 -1.51 0.00 0.00 54.79 49.85 1qye n ASP 139 Cb 0.52 -0.64 0.41 0.00 2.34 0.00 0.00 41.12 43.75 1qye n ASP 139 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1qye h LYS 140 N 3.86 0.15 0.00 -0.67 3.64 -1.78 0.66 116.57 122.43 1qye h LYS 140 Ca 0.18 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1qye h LYS 140 Cb 0.63 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1qye h LYS 140 CO 0.82 0.10 -0.05 1.49 -2.27 0.00 0.00 179.45 179.54 1qye h GLU 141 N 0.15 0.00 -0.06 1.90 4.57 -1.94 -1.86 114.58 117.34 1qye h GLU 141 Ca 0.68 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.86 1qye h GLU 141 Cb 1.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1qye h GLU 141 CO -0.72 0.05 0.00 1.63 -1.18 0.00 0.00 179.01 178.78 1qye n LYS 142 N -3.77 0.83 -3.57 1.92 4.76 0.21 -4.99 118.16 113.56 1qye n LYS 142 Ca -0.03 -1.27 -0.24 0.00 -2.87 0.00 0.00 58.31 53.90 1qye n LYS 142 Cb 0.14 -1.22 0.07 0.00 -1.84 0.00 0.00 35.03 32.19 1qye n LYS 142 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1qye n ASN 143 N 0.60 -6.30 -4.22 4.39 5.15 0.12 -4.99 115.26 110.01 1qye n ASN 143 Ca 0.07 -0.53 -0.25 0.00 -0.60 0.00 0.00 54.58 53.27 1qye n ASN 143 Cb 0.29 -4.97 -0.14 0.00 -0.53 0.00 0.00 39.78 34.43 1qye n ASN 143 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qye s LEU 144 N -7.26 2.12 -0.08 1.20 1.43 -1.10 -2.84 118.68 112.15 1qye s LEU 144 Ca 0.57 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1qye s LEU 144 Cb -0.25 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 1qye s LEU 144 CO 0.70 0.17 -0.23 -0.22 0.23 0.00 0.00 176.35 177.01 1qye s LEU 145 N -0.90 2.16 -0.08 1.79 2.96 -0.74 -0.72 118.68 123.15 1qye s LEU 145 Ca 0.07 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1qye s LEU 145 Cb -0.08 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1qye s LEU 145 CO 0.01 0.20 -0.21 -1.00 -1.32 0.00 0.00 176.35 174.03 1qye s HIS 146 N 0.10 2.19 -0.29 5.38 3.76 -0.72 -0.32 115.29 125.39 1qye s HIS 146 Ca -0.11 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.01 1qye s HIS 146 Cb -0.16 -1.48 0.08 0.00 1.11 0.00 0.00 32.58 32.13 1qye s HIS 146 CO 0.06 -0.32 0.00 0.08 -0.85 0.00 0.00 174.74 173.72 1qye s VAL 147 N 0.27 1.82 -0.10 -0.90 1.01 0.30 -1.77 120.40 121.03 1qye s VAL 147 Ca -0.13 -1.77 -0.00 0.00 0.00 0.00 0.00 61.98 60.08 1qye s VAL 147 Cb -0.16 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1qye s VAL 147 CO 0.06 -0.38 -0.08 -0.89 0.00 0.00 0.00 175.10 173.80 1qye s THR 148 N 1.19 3.53 0.12 3.92 2.01 -0.05 -0.21 115.64 126.15 1qye s THR 148 Ca 0.03 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.58 1qye s THR 148 Cb -0.19 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1qye s THR 148 CO -0.10 0.55 -0.16 1.51 -0.69 0.00 0.00 174.62 175.73 1qye s ASP 149 N -0.20 2.17 -0.63 3.53 1.47 0.80 0.26 116.67 124.07 1qye s ASP 149 Ca 0.02 -0.78 -0.01 0.00 1.18 0.00 0.00 52.55 52.97 1qye s ASP 149 Cb -0.13 -0.09 0.44 0.00 -0.34 0.00 0.00 42.92 42.80 1qye s ASP 149 CO 0.03 -0.08 1.92 0.35 0.68 0.00 0.00 175.17 178.06 1qye n THR 150 N 0.67 3.48 -0.22 2.11 -2.24 -0.77 -0.84 114.28 116.46 1qye n THR 150 Ca -0.16 -3.22 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 1qye n THR 150 Cb 0.56 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1qye n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qye n GLY 151 N -0.86 -1.41 0.24 3.38 0.00 -1.26 -4.70 105.19 100.57 1qye n GLY 151 Ca 0.60 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 45.15 1qye n GLY 151 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qye h VAL 152 N -0.49 0.87 -0.26 1.61 3.04 -1.45 -3.19 116.25 116.37 1qye h VAL 152 Ca 0.00 -0.58 0.03 0.00 -1.01 0.00 0.00 66.70 65.14 1qye h VAL 152 Cb 0.00 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1qye h VAL 152 CO 0.00 0.15 -0.04 0.61 -1.01 0.00 0.00 177.57 177.28 1qye n GLY 153 N -0.87 -2.22 2.90 3.17 0.00 -1.26 -4.29 105.19 102.61 1qye n GLY 153 Ca -0.02 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 1qye n GLY 153 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qye s MET 154 N -1.02 0.29 0.86 1.61 -1.94 -1.26 -4.80 119.30 113.04 1qye s MET 154 Ca 0.00 -0.07 -0.13 0.00 -1.71 0.00 0.00 55.69 53.78 1qye s MET 154 Cb 0.00 -0.32 0.11 0.00 2.01 0.00 0.00 34.83 36.63 1qye s MET 154 CO 0.00 0.02 1.18 0.95 -0.01 0.00 0.00 175.02 177.15 1qye s THR 155 N 0.21 1.99 0.20 2.05 -4.23 -1.26 -3.97 115.64 110.63 1qye s THR 155 Ca -0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 1qye s THR 155 Cb -0.05 -2.90 0.12 0.00 1.34 0.00 0.00 72.50 71.01 1qye s THR 155 CO -0.00 0.00 1.74 -0.09 -0.54 0.00 0.00 174.62 175.73 1qye h ARG 156 N -1.29 0.37 -0.83 3.99 2.43 -1.94 -1.30 114.38 115.82 1qye h ARG 156 Ca -0.47 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1qye h ARG 156 Cb 1.32 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1qye h ARG 156 CO 0.62 0.24 0.47 0.93 -1.51 0.00 0.00 179.97 180.72 1qye h GLU 157 N 0.38 1.14 -0.01 0.20 5.08 -2.00 -2.20 114.58 117.17 1qye h GLU 157 Ca 0.27 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1qye h GLU 157 Cb 0.32 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1qye h GLU 157 CO -0.28 0.82 -0.45 0.93 -1.00 0.00 0.00 179.01 179.04 1qye h GLU 158 N 1.15 0.03 -0.08 2.33 5.08 -1.70 0.71 114.58 122.09 1qye h GLU 158 Ca 0.29 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1qye h GLU 158 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qye h GLU 158 CO -0.05 0.47 0.01 -0.07 -1.00 0.00 0.00 179.01 178.37 1qye h LEU 159 N 0.02 0.13 -0.26 1.33 3.38 -0.72 0.33 115.31 119.53 1qye h LEU 159 Ca -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1qye h LEU 159 Cb 0.80 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1qye h LEU 159 CO 0.06 0.35 0.07 0.58 0.09 0.00 0.00 178.44 179.59 1qye h VAL 160 N -0.10 1.21 0.01 1.22 2.07 -1.21 -2.80 116.25 116.64 1qye h VAL 160 Ca 0.02 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1qye h VAL 160 Cb 0.28 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1qye h VAL 160 CO 0.00 0.22 -0.13 0.11 0.02 0.00 0.00 177.57 177.79 1qye h LYS 161 N 0.25 0.08 -0.14 1.57 6.56 -0.82 -1.83 116.57 122.24 1qye h LYS 161 Ca 0.08 -0.09 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 1qye h LYS 161 Cb 0.27 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1qye h LYS 161 CO 0.00 0.90 -0.38 -0.91 -2.06 0.00 0.00 179.45 177.00 1qye h ASN 162 N -0.70 0.32 0.30 0.86 4.21 -0.46 -1.88 115.58 118.23 1qye h ASN 162 Ca -0.02 -0.13 -0.29 0.00 1.21 0.00 0.00 56.30 57.08 1qye h ASN 162 Cb 0.95 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 38.01 1qye h ASN 162 CO 0.03 0.68 -1.96 0.18 -1.29 0.00 0.00 177.43 175.07 1qye n LEU 163 N -4.05 0.47 -0.27 1.61 4.77 -1.06 -4.50 117.00 113.97 1qye n LEU 163 Ca -0.01 0.22 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1qye n LEU 163 Cb 0.47 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1qye n LEU 163 CO 0.42 0.37 0.19 0.61 -1.33 0.00 0.00 177.39 177.66 1qye n GLY 164 N 1.59 -0.45 3.35 -0.72 0.00 -0.69 -5.00 105.19 103.27 1qye n GLY 164 Ca -0.22 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1qye n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qye s THR 165 N -2.70 0.00 -1.67 2.61 -4.23 -0.71 -2.25 115.64 106.68 1qye s THR 165 Ca 0.14 -1.82 0.21 0.00 -1.18 0.00 0.00 61.69 59.04 1qye s THR 165 Cb 0.17 -2.48 0.67 0.00 1.34 0.00 0.00 72.50 72.20 1qye s THR 165 CO 0.69 0.00 1.56 -0.38 -0.54 0.00 0.00 174.62 175.96 1qye n ILE 166 N -0.43 1.29 -0.34 2.99 2.08 -1.26 -4.64 119.36 119.05 1qye n ILE 166 Ca 0.02 -1.04 0.18 0.00 0.56 0.00 0.00 62.75 62.48 1qye n ILE 166 Cb 0.64 0.34 0.41 0.00 -0.75 0.00 0.00 39.64 40.27 1qye n ILE 166 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qye h ALA 167 N 4.25 1.88 -1.24 -1.39 0.00 -1.95 -3.39 119.26 117.43 1qye h ALA 167 Ca 0.00 0.10 -0.69 0.00 0.00 0.00 0.00 54.91 54.32 1qye h ALA 167 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1qye h ALA 167 CO 0.09 -0.32 1.23 1.17 0.00 0.00 0.00 179.25 181.42 1qye n LYS 168 N -4.81 1.13 0.00 0.00 4.81 -1.26 -4.81 118.16 113.22 1qye n LYS 168 Ca 0.26 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1qye n LYS 168 Cb 0.75 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1qye n LYS 168 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1qye n SER 169 N 8.06 0.00 -0.44 3.14 2.88 -1.26 -0.41 113.62 125.59 1qye n SER 169 Ca 0.36 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.92 1qye n SER 169 Cb 0.19 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.72 1qye n SER 169 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qye n GLY 170 N -0.16 0.35 0.27 0.46 0.00 -1.26 -4.11 105.19 100.74 1qye n GLY 170 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1qye n GLY 170 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qye h THR 171 N 0.91 1.26 -0.49 2.61 2.02 -0.96 -2.42 112.91 115.85 1qye h THR 171 Ca 0.00 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 1qye h THR 171 Cb 0.39 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1qye h THR 171 CO 0.03 0.40 0.14 -1.28 0.37 0.00 0.00 175.52 175.18 1qye h SER 172 N 0.66 0.68 -0.64 4.18 0.87 -1.75 -1.84 113.55 115.71 1qye h SER 172 Ca 0.11 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1qye h SER 172 Cb 0.61 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1qye h SER 172 CO 0.04 0.66 0.30 -0.08 -0.53 0.00 0.00 176.83 177.21 1qye h GLU 173 N 0.71 0.92 -0.59 2.24 4.81 -1.72 -2.14 114.58 118.82 1qye h GLU 173 Ca 0.16 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1qye h GLU 173 Cb 0.24 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1qye h GLU 173 CO -0.01 0.75 0.24 0.35 -0.73 0.00 0.00 179.01 179.62 1qye h PHE 174 N 0.88 0.88 -0.72 0.92 3.04 -1.03 -1.05 116.94 119.86 1qye h PHE 174 Ca 0.22 -0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.15 1qye h PHE 174 Cb 0.14 -0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 1qye h PHE 174 CO 0.00 0.70 0.47 1.25 -2.02 0.00 0.00 178.31 178.72 1qye h LEU 175 N 0.81 0.71 0.05 0.59 6.46 -0.90 0.19 115.31 123.22 1qye h LEU 175 Ca 0.20 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1qye h LEU 175 Cb 0.18 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1qye h LEU 175 CO -0.02 0.48 -0.02 0.78 -0.62 0.00 0.00 178.44 179.04 1qye h ASN 176 N 0.82 -0.05 -0.41 1.25 2.35 -0.96 -2.81 115.58 115.76 1qye h ASN 176 Ca 0.30 -0.60 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 1qye h ASN 176 Cb 0.14 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1qye h ASN 176 CO -0.09 0.62 0.19 0.11 -1.65 0.00 0.00 177.43 176.61 1qye h LYS 177 N -0.77 0.60 0.00 0.81 1.57 -1.04 -1.64 116.57 116.09 1qye h LYS 177 Ca -0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1qye h LYS 177 Cb 0.65 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1qye h LYS 177 CO 0.01 0.53 -0.05 1.98 -0.57 0.00 0.00 179.45 181.36 1qye h MET 178 N 0.53 0.00 0.06 3.15 4.05 -0.75 0.21 114.93 122.18 1qye h MET 178 Ca 0.14 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.40 1qye h MET 178 Cb 0.14 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1qye h MET 178 CO -0.02 0.05 -0.67 1.15 0.23 0.00 0.00 176.91 177.65 1qye h THR 179 N 0.00 1.47 0.63 -0.77 2.02 -1.16 -2.65 112.91 112.44 1qye h THR 179 Ca -0.00 -2.26 -0.03 0.00 0.77 0.00 0.00 66.41 64.89 1qye h THR 179 Cb 0.09 2.86 0.01 0.00 -1.74 0.00 0.00 68.15 69.36 1qye h THR 179 CO 0.01 0.65 -0.30 -0.33 0.37 0.00 0.00 175.52 175.91 1qye h GLU 180 N -0.23 -0.81 -0.85 6.66 5.08 -0.86 -2.50 114.58 121.07 1qye h GLU 180 Ca -0.10 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1qye h GLU 180 Cb 1.43 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 30.74 1qye h GLU 180 CO 0.13 -0.50 -0.47 0.00 -1.00 0.00 0.00 179.01 177.17 1qye h ALA 181 N -0.96 -0.24 -0.34 3.43 0.00 -0.73 0.95 119.26 121.37 1qye h ALA 181 Ca -0.09 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1qye h ALA 181 Cb 0.69 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1qye h ALA 181 CO 0.14 -0.81 0.28 0.37 0.00 0.00 0.00 179.25 179.24 1qye h GLN 182 N -0.08 0.00 0.02 0.00 4.15 -1.47 -1.36 115.11 116.36 1qye h GLN 182 Ca 0.23 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.55 1qye h GLN 182 Cb 0.53 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.23 1qye h GLN 182 CO -0.87 0.00 -0.42 1.49 -1.93 0.00 0.00 178.83 177.10 1qye h GLU 183 N 0.00 0.24 -0.88 1.69 4.81 0.13 -3.33 114.58 117.24 1qye h GLU 183 Ca 0.16 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 1qye h GLU 183 Cb 0.72 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.11 1qye h GLU 183 CO -0.00 1.03 0.18 -0.25 -0.73 0.00 0.00 179.01 179.25 1qye n ASP 184 N -4.37 3.55 -1.60 1.04 8.00 -0.06 -4.90 116.55 118.21 1qye n ASP 184 Ca -0.11 -2.71 -0.21 0.00 0.71 0.00 0.00 54.79 52.47 1qye n ASP 184 Cb 0.60 -0.65 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 1qye n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qye n GLY 185 N -0.04 1.89 3.87 0.44 0.00 -0.86 -4.99 105.19 105.51 1qye n GLY 185 Ca 0.25 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1qye n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qye s GLN 186 N -3.78 3.85 0.30 1.61 -0.21 -0.59 -5.02 119.66 115.81 1qye s GLN 186 Ca 0.00 0.49 -0.29 0.00 0.02 0.00 0.00 55.36 55.57 1qye s GLN 186 Cb 0.00 -2.44 -0.11 0.00 1.00 0.00 0.00 33.01 31.46 1qye s GLN 186 CO 0.00 0.08 1.48 0.45 -2.12 0.00 0.00 175.29 175.17 1qye s SER 187 N -2.79 6.53 0.00 5.90 0.15 -1.26 -4.33 113.70 117.90 1qye s SER 187 Ca 0.51 2.83 0.03 0.00 0.70 0.00 0.00 55.95 60.02 1qye s SER 187 Cb -0.10 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1qye s SER 187 CO 0.26 -0.77 0.15 0.35 1.20 0.00 0.00 173.24 174.42 1qye n THR 188 N 1.70 0.00 -0.26 6.45 -2.24 -1.26 -4.64 114.28 114.04 1qye n THR 188 Ca 0.05 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 61.39 1qye n THR 188 Cb 0.39 1.00 0.11 0.00 -2.10 0.00 0.00 70.33 69.74 1qye n THR 188 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1qye h SER 189 N 0.04 0.63 -0.13 3.42 0.87 -1.91 -2.29 113.55 114.18 1qye h SER 189 Ca 0.00 0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.41 1qye h SER 189 Cb 0.07 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1qye h SER 189 CO 0.00 0.40 -0.56 -0.33 -0.53 0.00 0.00 176.83 175.81 1qye h GLU 190 N 0.76 0.72 -0.09 2.24 3.07 -2.00 -3.14 114.58 116.15 1qye h GLU 190 Ca 0.33 -0.46 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1qye h GLU 190 Cb 0.20 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 1qye h GLU 190 CO -0.19 1.09 -0.26 -0.07 -1.40 0.00 0.00 179.01 178.18 1qye h LEU 191 N 0.55 -0.78 -0.40 1.33 3.38 -1.69 0.37 115.31 118.07 1qye h LEU 191 Ca 0.01 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1qye h LEU 191 Cb 1.14 0.34 -0.09 0.00 0.09 0.00 0.00 40.66 42.13 1qye h LEU 191 CO 0.11 -0.31 -0.31 0.40 0.09 0.00 0.00 178.44 178.42 1qye h ILE 192 N -0.35 0.25 -0.53 1.22 2.04 -1.47 0.93 117.51 119.61 1qye h ILE 192 Ca 0.09 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1qye h ILE 192 Cb 0.48 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1qye h ILE 192 CO -0.29 0.00 0.09 1.23 0.00 0.00 0.00 178.15 179.19 1qye h GLY 193 N -0.24 0.90 0.80 5.37 0.00 -1.42 -2.03 103.07 106.46 1qye h GLY 193 Ca 0.18 -0.55 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1qye h GLY 193 CO -0.53 0.51 0.05 1.46 0.00 0.00 0.00 176.54 178.03 1qye h GLN 194 N 0.80 0.14 -0.35 4.80 4.20 0.18 -2.67 115.11 122.20 1qye h GLN 194 Ca 0.17 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1qye h GLN 194 Cb 0.35 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1qye h GLN 194 CO 0.00 0.09 0.00 1.19 -0.67 0.00 0.00 178.83 179.44 1qye n PHE 195 N -5.07 0.47 -2.68 2.96 3.72 0.11 -4.95 117.46 112.01 1qye n PHE 195 Ca -0.03 -0.23 -0.18 0.00 -0.05 0.00 0.00 57.45 56.96 1qye n PHE 195 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1qye n PHE 195 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qye n GLY 196 N 1.19 -0.50 1.80 1.37 0.00 -0.78 -4.88 105.19 103.39 1qye n GLY 196 Ca 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1qye n GLY 196 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qye n VAL 197 N -3.81 2.83 0.73 1.61 0.24 -1.09 -4.60 118.33 114.23 1qye n VAL 197 Ca -0.14 -1.75 0.09 0.00 -2.04 0.00 0.00 64.34 60.49 1qye n VAL 197 Cb 0.62 -0.34 0.41 0.00 -1.47 0.00 0.00 33.84 33.06 1qye n VAL 197 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qye n GLY 198 N -0.24 -1.00 0.31 7.63 0.00 -1.26 -3.76 105.19 106.87 1qye n GLY 198 Ca 0.38 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.40 1qye n GLY 198 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qye h PHE 199 N 0.00 0.73 0.00 1.61 3.57 -1.86 -1.13 116.94 119.86 1qye h PHE 199 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1qye h PHE 199 Cb 0.24 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1qye h PHE 199 CO 0.00 0.15 0.00 0.66 -2.23 0.00 0.00 178.31 176.89 1qye n TYR 200 N -4.90 0.73 0.36 0.41 4.01 -1.25 -1.98 117.16 114.54 1qye n TYR 200 Ca 0.17 0.30 0.07 0.00 -0.16 0.00 0.00 57.90 58.29 1qye n TYR 200 Cb 0.46 -0.99 0.32 0.00 -0.31 0.00 0.00 39.34 38.82 1qye n TYR 200 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1qye n SER 201 N -2.18 0.21 0.21 7.72 3.41 -0.43 -1.76 113.62 120.80 1qye n SER 201 Ca 0.01 0.56 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 1qye n SER 201 Cb 0.18 -0.60 0.60 0.00 -0.26 0.00 0.00 64.21 64.13 1qye n SER 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qye h ALA 202 N 2.32 1.94 0.00 7.33 0.00 -1.57 -1.32 119.26 127.96 1qye h ALA 202 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qye h ALA 202 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qye h ALA 202 CO 0.00 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.49 1qye n PHE 203 N -4.53 0.00 0.03 0.00 3.72 -0.72 -1.25 117.46 114.70 1qye n PHE 203 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 1qye n PHE 203 Cb 0.08 -0.29 0.05 0.00 -0.94 0.00 0.00 39.48 38.38 1qye n PHE 203 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1qye h LEU 204 N 0.00 0.55 -1.05 4.37 3.38 -1.44 -3.33 115.31 117.78 1qye h LEU 204 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1qye h LEU 204 Cb 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1qye h LEU 204 CO 0.00 1.03 -0.04 1.33 0.09 0.00 0.00 178.44 180.86 1qye n VAL 205 N -3.91 0.00 -4.87 1.22 0.24 -0.81 -5.01 118.33 105.20 1qye n VAL 205 Ca -0.04 -0.48 -0.25 0.00 -2.04 0.00 0.00 64.34 61.53 1qye n VAL 205 Cb 0.64 1.11 -0.15 0.00 -1.47 0.00 0.00 33.84 33.97 1qye n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qye s ALA 206 N -0.65 1.52 -0.21 2.33 0.00 -0.38 -1.45 121.76 122.92 1qye s ALA 206 Ca 0.06 -0.79 0.19 0.00 0.00 0.00 0.00 51.96 51.42 1qye s ALA 206 Cb 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1qye s ALA 206 CO 0.10 0.37 1.12 -0.44 0.00 0.00 0.00 175.76 176.91 1qye h ASP 207 N 5.66 0.00 -3.59 0.00 3.45 -1.49 -3.41 116.42 117.04 1qye h ASP 207 Ca -0.37 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 56.88 1qye h ASP 207 Cb 1.15 0.00 -0.29 0.00 -0.56 0.00 0.00 39.33 39.63 1qye h ASP 207 CO 0.48 0.30 -0.53 -0.75 -1.57 0.00 0.00 179.24 177.17 1qye s LYS 208 N -3.11 0.17 -0.12 3.56 2.20 -1.20 -4.47 119.74 116.78 1qye s LYS 208 Ca 0.01 0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 1qye s LYS 208 Cb 0.08 -0.03 -0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1qye s LYS 208 CO 0.77 -0.10 -0.21 0.08 -0.36 0.00 0.00 175.35 175.54 1qye s VAL 209 N 0.66 2.32 -0.10 4.02 1.01 -0.57 -0.74 120.40 127.00 1qye s VAL 209 Ca -0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1qye s VAL 209 Cb -0.06 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1qye s VAL 209 CO -0.03 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 174.79 1qye s ILE 210 N 0.48 1.71 -0.27 2.22 1.01 0.10 -1.60 121.20 124.85 1qye s ILE 210 Ca -0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1qye s ILE 210 Cb -0.17 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.83 1qye s ILE 210 CO 0.05 0.48 -0.06 -0.69 0.00 0.00 0.00 174.94 174.73 1qye s VAL 211 N 0.63 2.73 -0.19 2.92 1.01 0.49 0.62 120.40 128.61 1qye s VAL 211 Ca -0.14 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.49 1qye s VAL 211 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1qye s VAL 211 CO 0.04 0.06 0.08 -0.89 0.00 0.00 0.00 175.10 174.39 1qye s THR 212 N 1.25 4.90 -0.04 3.92 2.01 -0.20 -0.42 115.64 127.07 1qye s THR 212 Ca -0.03 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 1qye s THR 212 Cb -0.18 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.11 1qye s THR 212 CO -0.04 0.44 0.15 -0.55 -0.69 0.00 0.00 174.62 173.94 1qye s SER 213 N 0.47 -0.10 -0.15 3.53 0.15 -0.37 -0.12 113.70 117.12 1qye s SER 213 Ca 0.04 0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 1qye s SER 213 Cb -0.12 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1qye s SER 213 CO 0.00 -0.17 -0.02 -0.75 1.20 0.00 0.00 173.24 173.50 1qye s LYS 214 N -0.44 1.10 -0.08 5.44 2.47 -0.25 -1.52 119.74 126.46 1qye s LYS 214 Ca -0.05 -0.34 0.00 0.00 -1.56 0.00 0.00 55.97 54.02 1qye s LYS 214 Cb -0.03 -1.76 -0.03 0.00 -1.46 0.00 0.00 37.83 34.54 1qye s LYS 214 CO 0.01 -0.43 -0.07 -1.58 0.16 0.00 0.00 175.35 173.44 1qye s HIS 215 N 1.76 2.93 0.55 4.03 5.65 -1.25 -0.88 115.29 128.08 1qye s HIS 215 Ca 0.02 -0.05 0.41 0.00 0.25 0.00 0.00 55.06 55.69 1qye s HIS 215 Cb -0.15 -1.74 1.61 0.00 -1.18 0.00 0.00 32.58 31.12 1qye s HIS 215 CO -0.07 0.26 1.72 -0.91 -0.65 0.00 0.00 174.74 175.09 1qye h ASN 216 N 5.48 0.00 -0.57 9.88 2.35 -1.91 0.12 115.58 130.93 1qye h ASN 216 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1qye h ASN 216 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1qye h ASN 216 CO 0.54 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.91 1qye n ASN 217 N -4.07 3.35 -3.54 5.81 3.02 -1.26 -4.95 115.26 113.62 1qye n ASN 217 Ca 0.32 -2.11 -0.12 0.00 -0.03 0.00 0.00 54.58 52.65 1qye n ASN 217 Cb 1.51 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 40.22 1qye n ASN 217 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qye s ASP 218 N -0.94 0.37 0.56 6.41 -1.08 0.42 -5.06 116.67 117.34 1qye s ASP 218 Ca 0.40 -1.21 -0.01 0.00 -0.52 0.00 0.00 52.55 51.20 1qye s ASP 218 Cb 0.22 0.65 0.02 0.00 -1.46 0.00 0.00 42.92 42.35 1qye s ASP 218 CO 0.24 -1.27 0.81 0.42 0.52 0.00 0.00 175.17 175.89 1qye s THR 219 N -3.39 3.09 0.00 1.71 -4.23 -1.26 -4.32 115.64 107.25 1qye s THR 219 Ca 0.26 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.00 1qye s THR 219 Cb -0.01 -3.19 -0.06 0.00 1.34 0.00 0.00 72.50 70.58 1qye s THR 219 CO 0.14 -0.15 1.40 -1.58 -0.54 0.00 0.00 174.62 173.89 1qye s GLN 220 N -4.82 4.28 0.35 3.99 0.74 -1.26 -4.67 119.66 118.27 1qye s GLN 220 Ca 0.55 1.97 0.09 0.00 0.05 0.00 0.00 55.36 58.02 1qye s GLN 220 Cb -0.10 -3.56 -0.07 0.00 1.10 0.00 0.00 33.01 30.38 1qye s GLN 220 CO 0.40 -0.57 -0.07 -1.01 -0.55 0.00 0.00 175.29 173.49 1qye s HIS 221 N 2.36 2.37 -0.06 1.67 3.76 -0.58 0.36 115.29 125.17 1qye s HIS 221 Ca 0.64 -0.56 0.02 0.00 -0.15 0.00 0.00 55.06 55.02 1qye s HIS 221 Cb -0.32 -1.42 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1qye s HIS 221 CO 0.27 0.52 -0.13 0.42 -0.85 0.00 0.00 174.74 174.97 1qye s ILE 222 N -2.68 1.19 -0.06 0.60 1.01 -0.09 -1.23 121.20 119.94 1qye s ILE 222 Ca 0.33 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1qye s ILE 222 Cb 0.04 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1qye s ILE 222 CO 0.16 0.37 -0.11 0.86 0.00 0.00 0.00 174.94 176.22 1qye s TRP 223 N 0.60 2.81 -0.08 3.97 -0.00 0.44 -1.62 118.94 125.07 1qye s TRP 223 Ca -0.14 -0.07 -0.08 0.00 -0.00 0.00 0.00 56.10 55.81 1qye s TRP 223 Cb -0.15 -1.66 0.02 0.00 -0.00 0.00 0.00 33.47 31.67 1qye s TRP 223 CO 0.04 0.26 0.23 -1.83 -0.00 0.00 0.00 176.95 175.65 1qye s GLU 224 N -0.80 0.30 -0.07 5.86 4.04 -0.29 -0.38 118.70 127.37 1qye s GLU 224 Ca 0.12 0.25 -0.24 0.00 0.04 0.00 0.00 54.97 55.14 1qye s GLU 224 Cb -0.11 0.14 0.05 0.00 0.02 0.00 0.00 34.13 34.24 1qye s GLU 224 CO 0.01 -0.04 0.55 0.45 -1.84 0.00 0.00 175.26 174.39 1qye s SER 225 N -0.04 -0.51 -0.04 0.83 0.15 -0.63 -1.26 113.70 112.20 1qye s SER 225 Ca -0.02 0.61 0.12 0.00 0.70 0.00 0.00 55.95 57.37 1qye s SER 225 Cb -0.02 0.59 0.35 0.00 -1.71 0.00 0.00 66.02 65.23 1qye s SER 225 CO 0.01 -0.48 1.29 -0.90 1.20 0.00 0.00 173.24 174.35 1qye n ASP 226 N 1.37 3.12 0.00 5.45 5.75 -1.25 -1.51 116.55 129.49 1qye n ASP 226 Ca -0.19 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.35 1qye n ASP 226 Cb 0.56 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1qye n ASP 226 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1qye n SER 227 N 0.24 0.00 -0.13 -1.12 3.41 -1.26 -4.86 113.62 109.90 1qye n SER 227 Ca 0.14 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.87 1qye n SER 227 Cb 0.53 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.77 1qye n SER 227 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qye n ASN 228 N 0.00 0.81 0.00 4.04 3.02 -1.26 -4.98 115.26 116.89 1qye n ASN 228 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1qye n ASN 228 Cb 0.00 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1qye n ASN 228 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1qye n GLU 229 N -1.06 -3.30 -3.68 3.52 0.28 -1.26 -4.84 120.64 110.29 1qye n GLU 229 Ca 0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.96 1qye n GLU 229 Cb 0.34 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.15 1qye n GLU 229 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1qye s PHE 230 N -2.04 -0.24 0.17 -1.84 -0.12 -0.37 -3.76 117.98 109.78 1qye s PHE 230 Ca 0.00 0.19 0.08 0.00 -0.05 0.00 0.00 56.93 57.15 1qye s PHE 230 Cb 0.00 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 1qye s PHE 230 CO 0.00 -0.55 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.33 1qye s SER 231 N -1.98 2.48 -0.01 1.98 0.01 -0.39 -0.26 113.70 115.53 1qye s SER 231 Ca -0.06 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1qye s SER 231 Cb -0.01 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.11 1qye s SER 231 CO -0.02 -0.10 0.02 0.54 0.41 0.00 0.00 173.24 174.08 1qye s VAL 232 N -2.35 -0.02 0.01 3.43 0.11 -1.06 -1.13 120.40 119.39 1qye s VAL 232 Ca 0.16 0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.27 1qye s VAL 232 Cb -0.04 -0.06 -0.00 0.00 -1.53 0.00 0.00 36.38 34.75 1qye s VAL 232 CO 0.06 0.06 0.13 0.27 -3.33 0.00 0.00 175.10 172.28 1qye s ILE 233 N 0.64 0.10 0.54 7.04 -4.36 -0.64 -2.77 121.20 121.75 1qye s ILE 233 Ca -0.05 -0.79 -0.21 0.00 -0.26 0.00 0.00 60.65 59.34 1qye s ILE 233 Cb -0.08 -0.55 -0.05 0.00 1.25 0.00 0.00 42.46 43.04 1qye s ILE 233 CO -0.02 -0.43 1.23 0.00 0.24 0.00 0.00 174.94 175.95 1qye s ALA 234 N -1.70 2.73 -0.46 2.27 0.00 -1.26 -0.91 121.76 122.43 1qye s ALA 234 Ca -0.12 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1qye s ALA 234 Cb -0.06 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.63 1qye s ALA 234 CO -0.00 -1.05 1.11 0.34 0.00 0.00 0.00 175.76 176.16 1qye s ASP 235 N -1.39 6.65 0.58 0.00 -1.08 0.16 -4.73 116.67 116.86 1qye s ASP 235 Ca 0.72 0.50 0.39 0.00 -0.52 0.00 0.00 52.55 53.64 1qye s ASP 235 Cb -0.32 -2.54 2.11 0.00 -1.46 0.00 0.00 42.92 40.71 1qye s ASP 235 CO 0.37 -1.20 2.19 1.55 0.52 0.00 0.00 175.17 178.60 1qye h PRO 236 N 9.09 0.00 0.00 4.34 0.13 -1.91 -1.21 132.00 142.45 1qye h PRO 236 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1qye h PRO 236 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1qye h PRO 236 CO 1.11 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.42 1qye n ARG 237 N -2.86 0.83 0.00 0.86 1.74 -1.26 -5.00 116.66 110.97 1qye n ARG 237 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1qye n ARG 237 Cb 0.06 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1qye n ARG 237 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qye n GLY 238 N 0.54 -0.02 3.15 -0.13 0.00 -0.46 -4.50 105.19 103.77 1qye n GLY 238 Ca 0.12 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1qye n GLY 238 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qye s ASN 239 N -4.00 5.55 -0.02 1.61 2.47 -1.26 -4.52 114.94 114.77 1qye s ASN 239 Ca 0.00 -2.57 0.22 0.00 0.42 0.00 0.00 52.86 50.93 1qye s ASN 239 Cb 0.00 -1.93 -0.31 0.00 -1.45 0.00 0.00 41.25 37.56 1qye s ASN 239 CO 0.00 -0.48 0.60 0.35 -3.72 0.00 0.00 177.10 173.85 1qye n THR 240 N 3.93 0.00 0.05 -5.21 -2.24 -1.26 -4.36 114.28 105.20 1qye n THR 240 Ca 0.05 -0.36 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 1qye n THR 240 Cb 0.40 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.79 1qye n THR 240 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1qye h LEU 241 N 0.00 0.00 0.00 3.22 3.38 -1.96 -3.48 115.31 116.47 1qye h LEU 241 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qye h LEU 241 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1qye h LEU 241 CO 0.00 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1qye n GLY 242 N 1.38 2.07 3.64 0.83 0.00 -1.26 -4.66 105.19 107.19 1qye n GLY 242 Ca -0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 1qye n GLY 242 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qye s ARG 243 N 0.00 0.44 0.00 1.61 3.52 -1.26 -4.68 118.95 118.58 1qye s ARG 243 Ca 0.00 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 1qye s ARG 243 Cb 0.00 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1qye s ARG 243 CO 0.00 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 1qye n GLY 244 N 2.82 0.74 3.04 8.12 0.00 -0.06 -4.44 105.19 115.40 1qye n GLY 244 Ca -0.15 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 1qye n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qye s THR 245 N -1.42 0.04 -0.15 2.61 2.01 -0.02 -1.09 115.64 117.61 1qye s THR 245 Ca 0.00 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1qye s THR 245 Cb 0.00 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.24 1qye s THR 245 CO 0.00 -0.19 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.66 1qye s THR 246 N -0.62 1.87 -0.29 -0.82 2.01 0.82 -0.14 115.64 118.48 1qye s THR 246 Ca -0.07 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1qye s THR 246 Cb -0.04 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1qye s THR 246 CO 0.01 0.51 0.19 -0.63 -0.69 0.00 0.00 174.62 174.01 1qye s ILE 247 N 1.17 5.23 -0.17 1.82 -1.09 0.71 -1.03 121.20 127.84 1qye s ILE 247 Ca 0.00 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1qye s ILE 247 Cb -0.14 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 1qye s ILE 247 CO -0.08 0.21 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.84 1qye s THR 248 N 1.74 3.10 -0.18 2.92 2.01 0.20 -0.54 115.64 124.89 1qye s THR 248 Ca 0.07 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1qye s THR 248 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1qye s THR 248 CO 0.10 0.49 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.74 1qye s LEU 249 N 0.81 3.18 -0.79 4.42 1.43 0.57 0.02 118.68 128.33 1qye s LEU 249 Ca -0.04 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 1qye s LEU 249 Cb -0.15 -1.79 0.16 0.00 0.03 0.00 0.00 46.19 44.44 1qye s LEU 249 CO 0.01 0.10 0.85 -0.69 0.23 0.00 0.00 176.35 176.85 1qye s VAL 250 N 0.78 5.13 0.40 -1.59 1.01 0.08 -1.79 120.40 124.42 1qye s VAL 250 Ca -0.01 -1.80 -0.27 0.00 0.00 0.00 0.00 61.98 59.90 1qye s VAL 250 Cb -0.14 -4.56 -0.10 0.00 0.00 0.00 0.00 36.38 31.57 1qye s VAL 250 CO 0.02 -1.19 1.48 -0.76 0.00 0.00 0.00 175.10 174.65 1qye s LEU 251 N 1.61 4.26 0.88 3.92 1.43 -1.13 -1.32 118.68 128.33 1qye s LEU 251 Ca 0.20 3.04 -0.11 0.00 -1.03 0.00 0.00 54.13 56.23 1qye s LEU 251 Cb -0.13 -3.73 0.12 0.00 0.03 0.00 0.00 46.19 42.48 1qye s LEU 251 CO -0.05 -0.96 1.10 -0.54 0.23 0.00 0.00 176.35 176.13 1qye s LYS 252 N -2.20 1.38 0.08 1.70 1.02 -0.53 -4.73 119.74 116.47 1qye s LYS 252 Ca 0.55 1.12 -0.25 0.00 0.02 0.00 0.00 55.97 57.41 1qye s LYS 252 Cb -0.46 -1.80 -0.16 0.00 -0.52 0.00 0.00 37.83 34.89 1qye s LYS 252 CO 0.62 -2.24 1.71 1.49 -0.92 0.00 0.00 175.35 176.01 1qye h GLU 253 N -1.56 -0.13 0.00 1.68 4.57 -1.95 -1.59 114.58 115.60 1qye h GLU 253 Ca -0.47 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1qye h GLU 253 Cb 1.27 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1qye h GLU 253 CO 0.50 -0.07 0.13 0.39 -1.18 0.00 0.00 179.01 178.78 1qye n GLU 254 N -5.14 0.00 -0.10 1.92 4.71 -1.26 -1.18 120.64 119.59 1qye n GLU 254 Ca -0.08 0.34 0.04 0.00 -0.01 0.00 0.00 57.16 57.46 1qye n GLU 254 Cb 0.09 -1.63 0.09 0.00 -1.01 0.00 0.00 31.44 28.98 1qye n GLU 254 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qye n ALA 255 N -1.33 2.21 -0.01 0.62 0.00 -0.61 -4.69 120.51 116.69 1qye n ALA 255 Ca 0.00 -1.56 0.24 0.00 0.00 0.00 0.00 53.44 52.11 1qye n ALA 255 Cb 0.13 -0.26 0.69 0.00 0.00 0.00 0.00 19.45 20.01 1qye n ALA 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qye h SER 256 N 0.60 0.00 -0.96 0.00 4.64 -1.08 -0.26 113.55 116.50 1qye h SER 256 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1qye h SER 256 Cb 0.77 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.76 1qye h SER 256 CO 0.02 0.00 0.56 -0.78 -0.87 0.00 0.00 176.83 175.77 1qye h ASP 257 N 0.00 0.74 0.00 4.97 1.82 -1.84 0.23 116.42 122.34 1qye h ASP 257 Ca 0.29 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1qye h ASP 257 Cb 1.57 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1qye h ASP 257 CO -0.00 0.30 0.00 -1.22 -1.61 0.00 0.00 179.24 176.70 1qye n TYR 258 N -4.77 0.00 0.40 0.28 4.02 -0.11 -1.33 117.16 115.65 1qye n TYR 258 Ca 0.21 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.21 1qye n TYR 258 Cb 0.49 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.86 1qye n TYR 258 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1qye n LEU 259 N -0.82 0.68 -4.64 7.72 4.77 0.80 -4.76 117.00 120.76 1qye n LEU 259 Ca 0.06 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.78 1qye n LEU 259 Cb 0.03 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1qye n LEU 259 CO 0.05 -0.06 0.89 -1.61 -1.33 0.00 0.00 177.39 175.33 1qye s GLU 260 N -3.26 4.11 0.21 3.23 0.41 -0.44 -4.45 118.70 118.52 1qye s GLU 260 Ca 0.02 1.10 -0.16 0.00 -0.41 0.00 0.00 54.97 55.52 1qye s GLU 260 Cb 0.13 -3.70 0.22 0.00 -1.78 0.00 0.00 34.13 29.00 1qye s GLU 260 CO 0.78 -0.78 1.59 -0.07 -0.49 0.00 0.00 175.26 176.28 1qye h LEU 261 N 9.80 -0.99 -0.72 1.80 3.38 -1.89 -0.08 115.31 126.62 1qye h LEU 261 Ca -0.21 0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1qye h LEU 261 Cb 1.07 0.55 -0.09 0.00 0.09 0.00 0.00 40.66 42.28 1qye h LEU 261 CO 1.00 -0.28 0.28 -0.78 0.09 0.00 0.00 178.44 178.75 1qye h ASP 262 N -0.07 0.28 0.45 -0.43 3.58 -1.96 0.21 116.42 118.48 1qye h ASP 262 Ca 0.31 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.83 1qye h ASP 262 Cb 0.56 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1qye h ASP 262 CO -0.77 0.12 -0.22 0.74 -2.88 0.00 0.00 179.24 176.24 1qye h THR 263 N 0.45 0.54 -0.36 2.25 2.02 -1.33 -2.04 112.91 114.44 1qye h THR 263 Ca 0.38 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1qye h THR 263 Cb 0.54 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1qye h THR 263 CO -0.37 0.05 0.21 -0.29 0.37 0.00 0.00 175.52 175.48 1qye h ILE 264 N -0.76 1.13 -0.52 3.11 6.09 -1.18 -1.82 117.51 123.56 1qye h ILE 264 Ca -0.06 -0.33 0.09 0.00 -1.37 0.00 0.00 64.86 63.19 1qye h ILE 264 Cb 0.54 0.70 -0.07 0.00 0.47 0.00 0.00 36.82 38.45 1qye h ILE 264 CO 0.10 0.13 0.13 0.50 -3.07 0.00 0.00 178.15 175.95 1qye h LYS 265 N 0.46 0.28 -0.78 2.19 3.64 -0.61 0.43 116.57 122.17 1qye h LYS 265 Ca 0.13 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1qye h LYS 265 Cb 0.03 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1qye h LYS 265 CO -0.02 0.18 0.52 -0.91 -2.27 0.00 0.00 179.45 176.95 1qye h ASN 266 N 0.28 0.89 -0.26 4.20 2.35 -1.00 -2.46 115.58 119.58 1qye h ASN 266 Ca 0.26 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1qye h ASN 266 Cb 0.34 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1qye h ASN 266 CO -0.31 0.64 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.99 1qye h LEU 267 N 1.05 0.49 -1.91 1.61 3.38 -0.32 -2.02 115.31 117.60 1qye h LEU 267 Ca 0.29 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 58.01 1qye h LEU 267 Cb -0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1qye h LEU 267 CO -0.06 0.73 0.31 0.58 0.09 0.00 0.00 178.44 180.09 1qye h VAL 268 N 0.24 0.83 0.21 1.22 2.07 0.03 -1.24 116.25 119.60 1qye h VAL 268 Ca 0.07 -0.04 -0.31 0.00 0.82 0.00 0.00 66.70 67.24 1qye h VAL 268 Cb 0.51 0.71 0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1qye h VAL 268 CO 0.02 0.02 -1.45 0.11 0.02 0.00 0.00 177.57 176.30 1qye h LYS 269 N 0.11 0.44 0.00 1.57 1.57 -1.26 -2.64 116.57 116.36 1qye h LYS 269 Ca 0.21 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1qye h LYS 269 Cb 0.69 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1qye h LYS 269 CO -0.02 1.36 0.00 1.63 -0.57 0.00 0.00 179.45 181.85 1qye n LYS 270 N -3.77 0.28 -0.21 3.15 4.76 -0.78 -3.08 118.16 118.51 1qye n LYS 270 Ca -0.19 0.11 0.02 0.00 -2.87 0.00 0.00 58.31 55.38 1qye n LYS 270 Cb 1.03 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.75 1qye n LYS 270 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1qye n TYR 271 N -1.24 0.00 -0.20 2.13 0.53 -0.54 -4.83 117.16 113.01 1qye n TYR 271 Ca 0.09 -0.30 0.00 0.00 -1.02 0.00 0.00 57.90 56.67 1qye n TYR 271 Cb 0.12 -0.06 0.00 0.00 -1.03 0.00 0.00 39.34 38.37 1qye n TYR 271 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1qye n SER 272 N -0.40 0.12 0.11 7.72 3.41 -1.00 -4.77 113.62 118.81 1qye n SER 272 Ca 0.04 -0.45 0.07 0.00 -0.26 0.00 0.00 58.87 58.27 1qye n SER 272 Cb 0.57 0.26 0.37 0.00 -0.26 0.00 0.00 64.21 65.15 1qye n SER 272 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qye n GLN 273 N -0.26 0.09 -0.18 4.33 3.00 -1.23 -0.99 117.38 122.14 1qye n GLN 273 Ca 0.00 0.57 0.06 0.00 -0.01 0.00 0.00 57.00 57.62 1qye n GLN 273 Cb 0.05 -1.85 0.16 0.00 0.00 0.00 0.00 30.24 28.60 1qye n GLN 273 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1qye n PHE 274 N -1.97 0.48 -3.38 1.08 -0.00 -1.26 -4.97 117.46 107.44 1qye n PHE 274 Ca -0.01 -0.47 -0.38 0.00 -0.00 0.00 0.00 57.45 56.59 1qye n PHE 274 Cb 0.08 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.48 39.47 1qye n PHE 274 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1qye s ILE 275 N -1.00 5.22 -0.03 1.97 -1.09 -0.16 -4.96 121.20 121.14 1qye s ILE 275 Ca 0.25 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1qye s ILE 275 Cb 0.13 -3.76 0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1qye s ILE 275 CO 0.17 0.33 1.05 -0.46 -1.23 0.00 0.00 174.94 174.79 1qye n ASN 276 N 3.80 3.03 -3.98 3.58 2.04 -1.26 -4.77 115.26 117.70 1qye n ASN 276 Ca -0.08 -2.09 -0.09 0.00 -0.44 0.00 0.00 54.58 51.88 1qye n ASN 276 Cb 0.52 -0.52 -0.11 0.00 -2.53 0.00 0.00 39.78 37.14 1qye n ASN 276 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1qye s PHE 277 N -0.18 0.27 0.25 -2.53 0.08 -1.26 -5.13 117.98 109.47 1qye s PHE 277 Ca 0.03 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.23 1qye s PHE 277 Cb 0.03 -0.20 -0.09 0.00 -0.57 0.00 0.00 43.02 42.19 1qye s PHE 277 CO 0.01 -0.22 1.21 -1.25 -0.10 0.00 0.00 175.22 174.87 1qye s PRO 278 N -1.71 4.49 -0.19 0.24 0.04 -1.26 -4.90 135.00 131.72 1qye s PRO 278 Ca -0.14 1.95 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1qye s PRO 278 Cb -0.08 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1qye s PRO 278 CO -0.02 -0.04 -0.18 0.42 0.04 0.00 0.00 177.00 177.22 1qye s ILE 279 N -0.59 2.02 0.08 0.56 1.01 -0.91 -2.16 121.20 121.21 1qye s ILE 279 Ca 0.50 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.23 1qye s ILE 279 Cb -0.34 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1qye s ILE 279 CO 0.42 0.46 -0.09 -0.31 0.00 0.00 0.00 174.94 175.42 1qye s TYR 280 N 1.29 2.77 -0.08 3.97 2.02 0.51 -1.02 117.35 126.81 1qye s TYR 280 Ca 0.03 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 1qye s TYR 280 Cb -0.14 -1.47 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1qye s TYR 280 CO -0.12 0.41 -0.15 0.14 -1.57 0.00 0.00 175.55 174.26 1qye s VAL 281 N -1.17 1.42 -0.88 0.71 -7.23 -0.72 0.12 120.40 112.66 1qye s VAL 281 Ca 0.21 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.50 1qye s VAL 281 Cb -0.11 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1qye s VAL 281 CO 0.13 0.42 1.73 0.86 -0.31 0.00 0.00 175.10 177.92 1qye s TRP 282 N 0.68 2.04 0.34 2.82 -0.11 -0.16 -1.41 118.94 123.14 1qye s TRP 282 Ca -0.14 0.16 0.08 0.00 1.22 0.00 0.00 56.10 57.42 1qye s TRP 282 Cb -0.16 -4.30 -0.05 0.00 -1.50 0.00 0.00 33.47 27.47 1qye s TRP 282 CO 0.04 -1.92 0.11 -1.54 -4.62 0.00 0.00 176.95 169.02 1qye s SER 283 N 6.75 4.54 0.23 5.86 1.04 -1.07 -4.69 113.70 126.35 1qye s SER 283 Ca 0.59 -0.85 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1qye s SER 283 Cb -0.06 -0.66 -0.05 0.00 0.10 0.00 0.00 66.02 65.35 1qye s SER 283 CO 0.01 -0.30 -0.13 -0.94 0.98 0.00 0.00 173.24 172.87 1qye s SER 284 N -3.81 2.72 0.00 7.02 1.04 -1.26 -2.14 113.70 117.26 1qye s SER 284 Ca 0.37 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1qye s SER 284 Cb -0.02 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1qye s SER 284 CO 0.22 -0.20 0.00 1.17 0.98 0.00 0.00 173.24 175.41 1qye n LYS 285 N -0.46 0.00 -1.27 4.02 4.81 -0.95 -4.98 118.16 119.34 1qye n LYS 285 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1qye n LYS 285 Cb 0.61 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1qye n LYS 285 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1qye n THR 286 N -1.65 -4.31 -1.05 3.15 -1.04 -1.26 -4.95 114.28 103.17 1qye n THR 286 Ca 0.00 1.84 0.00 0.00 -2.04 0.00 0.00 64.05 63.85 1qye n THR 286 Cb 0.00 -2.64 0.00 0.00 -1.82 0.00 0.00 70.33 65.87 1qye n THR 286 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1qye n LYS 328 N -0.20 0.00 -4.21 -2.82 5.02 -1.26 -5.01 118.16 109.68 1qye n LYS 328 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1qye n LYS 328 Cb 0.00 -0.35 -0.16 0.00 -0.02 0.00 0.00 35.03 34.50 1qye n LYS 328 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qye s THR 329 N -0.12 2.24 -0.24 -0.18 2.01 -1.26 -5.10 115.64 112.99 1qye s THR 329 Ca 0.00 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 1qye s THR 329 Cb 0.00 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1qye s THR 329 CO 0.00 0.53 0.07 0.54 -0.69 0.00 0.00 174.62 175.07 1qye s VAL 330 N 1.20 4.40 -0.15 3.82 0.11 -1.26 -4.98 120.40 123.54 1qye s VAL 330 Ca 0.02 -0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1qye s VAL 330 Cb -0.14 -3.05 -0.01 0.00 -1.53 0.00 0.00 36.38 31.65 1qye s VAL 330 CO -0.09 0.35 -0.12 0.26 -3.33 0.00 0.00 175.10 172.16 1qye s TRP 331 N 1.47 2.83 0.00 1.54 0.52 -1.26 -2.23 118.94 121.81 1qye s TRP 331 Ca 0.06 -0.78 -0.29 0.00 0.02 0.00 0.00 56.10 55.11 1qye s TRP 331 Cb -0.15 -1.89 0.10 0.00 -1.15 0.00 0.00 33.47 30.38 1qye s TRP 331 CO 0.04 -0.32 0.93 0.34 0.02 0.00 0.00 176.95 177.96 1qye s ASP 332 N 0.62 -0.31 -0.03 2.95 3.68 -0.91 -5.02 116.67 117.65 1qye s ASP 332 Ca -0.07 -0.07 -0.30 0.00 2.13 0.00 0.00 52.55 54.25 1qye s ASP 332 Cb -0.15 0.38 -0.06 0.00 -1.45 0.00 0.00 42.92 41.63 1qye s ASP 332 CO 0.03 -0.63 1.67 0.26 0.13 0.00 0.00 175.17 176.63 1qye s TRP 333 N -3.07 2.01 -0.22 -5.34 0.52 -1.26 -2.61 118.94 108.97 1qye s TRP 333 Ca 0.07 0.17 -0.09 0.00 0.02 0.00 0.00 56.10 56.27 1qye s TRP 333 Cb -0.01 -3.94 -0.04 0.00 -1.15 0.00 0.00 33.47 28.32 1qye s TRP 333 CO -0.07 -3.96 0.11 -2.00 0.02 0.00 0.00 176.95 171.05 1qye s GLU 334 N 3.81 3.97 -0.10 4.98 2.12 -0.50 -4.90 118.70 128.08 1qye s GLU 334 Ca 0.74 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.45 1qye s GLU 334 Cb -0.35 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1qye s GLU 334 CO 0.31 0.10 1.03 -1.17 -0.54 0.00 0.00 175.26 174.99 1qye s LEU 335 N 0.89 4.25 -0.01 2.70 2.96 -1.26 -1.75 118.68 126.45 1qye s LEU 335 Ca 0.06 1.56 0.17 0.00 -0.22 0.00 0.00 54.13 55.70 1qye s LEU 335 Cb -0.13 -3.56 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 1qye s LEU 335 CO 0.03 -0.47 0.59 0.23 -1.32 0.00 0.00 176.35 175.41 1qye n MET 336 N 5.05 1.04 -0.87 1.98 2.81 -0.19 -5.01 117.12 121.93 1qye n MET 336 Ca 0.09 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1qye n MET 336 Cb 0.48 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1qye n MET 336 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77