#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hco s LYS 66 N 0.00 3.42 0.33 5.56 2.20 -1.26 -4.97 119.74 125.02 3hco s LYS 66 Ca 0.00 1.71 -0.29 0.00 -0.36 0.00 0.00 55.97 57.03 3hco s LYS 66 Cb 0.00 -2.13 -0.10 0.00 -1.51 0.00 0.00 37.83 34.09 3hco s LYS 66 CO 0.00 -0.82 1.33 -1.25 -0.36 0.00 0.00 175.35 174.25 3hco s PRO 67 N -3.10 4.33 -0.24 4.03 0.04 -1.26 -4.65 135.00 134.16 3hco s PRO 67 Ca 0.71 2.25 -0.10 0.00 0.04 0.00 0.00 61.00 63.89 3hco s PRO 67 Cb -0.27 -3.06 -0.17 0.00 0.04 0.00 0.00 34.50 31.04 3hco s PRO 67 CO 0.31 -0.22 -0.09 1.17 0.04 0.00 0.00 177.00 178.20 3hco n LYS 68 N 0.80 0.63 -4.09 4.56 4.81 -0.21 -4.47 118.16 120.18 3hco n LYS 68 Ca 0.00 0.30 -0.28 0.00 -0.87 0.00 0.00 58.31 57.46 3hco n LYS 68 Cb 0.42 -1.59 -0.17 0.00 0.02 0.00 0.00 35.03 33.71 3hco n LYS 68 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hco s THR 69 N -2.49 1.32 -0.06 3.15 2.01 -0.98 -1.00 115.64 117.60 3hco s THR 69 Ca -0.33 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 3hco s THR 69 Cb 0.10 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3hco s THR 69 CO 0.58 0.41 0.28 -0.83 -0.69 0.00 0.00 174.62 174.37 3hco s GLY 70 N 1.43 2.32 -0.29 4.40 0.00 -0.11 -0.81 107.32 114.26 3hco s GLY 70 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.34 3hco s GLY 70 CO -0.07 -0.09 -0.04 -0.42 0.00 0.00 0.00 173.10 172.48 3hco s ILE 71 N -1.00 2.09 -0.47 0.90 1.09 0.16 -1.39 121.20 122.58 3hco s ILE 71 Ca 0.19 -1.84 -0.24 0.00 -1.10 0.00 0.00 60.65 57.66 3hco s ILE 71 Cb -0.14 -2.35 0.03 0.00 -1.06 0.00 0.00 42.46 38.93 3hco s ILE 71 CO 0.09 -0.27 0.85 -0.22 -0.10 0.00 0.00 174.94 175.29 3hco s LEU 72 N 1.08 4.18 -0.36 2.97 2.96 0.61 -0.46 118.68 129.66 3hco s LEU 72 Ca -0.01 -0.13 -0.22 0.00 -0.22 0.00 0.00 54.13 53.56 3hco s LEU 72 Cb -0.19 -2.98 0.01 0.00 0.50 0.00 0.00 46.19 43.52 3hco s LEU 72 CO -0.07 -1.01 0.71 -0.04 -1.32 0.00 0.00 176.35 174.62 3hco s MET 73 N 3.52 3.69 -0.13 1.98 -1.94 0.47 -0.36 119.30 126.54 3hco s MET 73 Ca 0.31 0.16 -0.04 0.00 -1.71 0.00 0.00 55.69 54.41 3hco s MET 73 Cb -0.12 -3.82 -0.04 0.00 2.01 0.00 0.00 34.83 32.87 3hco s MET 73 CO 0.23 -0.81 0.03 -0.51 -0.01 0.00 0.00 175.02 173.95 3hco s LEU 74 N 2.91 3.69 0.26 -0.03 1.43 -0.54 -0.76 118.68 125.63 3hco s LEU 74 Ca 0.28 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.28 3hco s LEU 74 Cb -0.14 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.23 3hco s LEU 74 CO 0.16 0.29 0.78 0.21 0.23 0.00 0.00 176.35 178.02 3hco s ASN 75 N -0.34 -0.22 0.42 2.29 3.84 -1.05 -0.69 114.94 119.18 3hco s ASN 75 Ca 0.08 -0.60 0.26 0.00 0.21 0.00 0.00 52.86 52.80 3hco s ASN 75 Cb -0.12 0.68 0.66 0.00 -0.55 0.00 0.00 41.25 41.92 3hco s ASN 75 CO 0.02 -1.27 1.72 0.00 -2.79 0.00 0.00 177.10 174.78 3hco h MET 76 N 2.00 0.00 0.00 0.43 -0.00 -1.93 0.41 114.93 115.84 3hco h MET 76 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 3hco h MET 76 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.84 3hco h MET 76 CO 0.25 0.00 -0.00 0.41 -0.00 0.00 0.00 176.91 177.57 3hco n GLY 77 N 0.86 -1.90 3.56 -3.00 0.00 -1.26 -1.97 105.19 101.48 3hco n GLY 77 Ca 0.03 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 3hco n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hco s GLY 78 N -1.92 -0.42 -0.03 -0.02 0.00 -1.26 -4.96 107.32 98.72 3hco s GLY 78 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 44.72 45.12 3hco s GLY 78 CO 0.00 0.22 1.33 2.56 0.00 0.00 0.00 173.10 177.21 3hco s PRO 79 N -3.26 4.30 0.22 2.90 0.04 -1.26 -4.80 135.00 133.14 3hco s PRO 79 Ca 0.06 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 3hco s PRO 79 Cb -0.01 -3.58 0.21 0.00 0.04 0.00 0.00 34.50 31.16 3hco s PRO 79 CO -0.06 -0.54 1.63 1.49 0.04 0.00 0.00 177.00 179.56 3hco h GLU 80 N 7.74 0.73 -4.79 4.56 4.81 -1.90 0.15 114.58 125.86 3hco h GLU 80 Ca -0.36 -0.30 -0.33 0.00 -0.13 0.00 0.00 59.36 58.24 3hco h GLU 80 Cb 1.17 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.37 3hco h GLU 80 CO 0.90 0.90 -0.60 0.95 -0.73 0.00 0.00 179.01 180.42 3hco s THR 81 N -4.55 0.33 0.43 0.32 -4.23 -1.26 -4.09 115.64 102.58 3hco s THR 81 Ca -0.09 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.67 3hco s THR 81 Cb 0.13 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.67 3hco s THR 81 CO 0.83 0.00 2.05 -0.07 -0.54 0.00 0.00 174.62 176.89 3hco h LEU 82 N 2.42 0.00 -1.53 4.79 3.38 -1.84 -0.30 115.31 122.23 3hco h LEU 82 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hco h LEU 82 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hco h LEU 82 CO 0.56 0.14 0.00 1.23 0.09 0.00 0.00 178.44 180.46 3hco h GLY 83 N 0.77 0.00 1.40 0.83 0.00 -1.96 -3.02 103.07 101.08 3hco h GLY 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hco h GLY 83 CO 0.02 0.00 -0.06 1.22 0.00 0.00 0.00 176.54 177.71 3hco n ASP 84 N -3.01 0.18 0.02 0.19 8.00 -0.12 -4.38 116.55 117.43 3hco n ASP 84 Ca 0.00 -0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 3hco n ASP 84 Cb 0.28 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3hco n ASP 84 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hco h VAL 85 N 0.18 1.01 -0.19 2.53 2.07 -1.63 -2.80 116.25 117.41 3hco h VAL 85 Ca 0.00 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3hco h VAL 85 Cb 0.35 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3hco h VAL 85 CO 0.00 0.01 0.01 -0.74 0.02 0.00 0.00 177.57 176.87 3hco h HIS 86 N 0.07 0.01 -0.18 1.57 -0.00 -1.83 -0.51 115.15 114.28 3hco h HIS 86 Ca 0.02 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.26 3hco h HIS 86 Cb -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 3hco h HIS 86 CO -0.08 -0.01 -0.50 -0.44 -0.00 0.00 0.00 177.93 176.90 3hco h ASP 87 N 0.08 0.53 -0.28 3.26 3.32 -1.85 0.47 116.42 121.95 3hco h ASP 87 Ca 0.09 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 56.94 3hco h ASP 87 Cb 0.10 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 3hco h ASP 87 CO -0.14 0.94 -0.14 0.15 -1.72 0.00 0.00 179.24 178.33 3hco h PHE 88 N 0.39 -0.33 -0.62 4.55 3.57 -1.25 -1.19 116.94 122.05 3hco h PHE 88 Ca 0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3hco h PHE 88 Cb 1.01 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 3hco h PHE 88 CO 0.04 -0.21 0.05 -0.07 -2.23 0.00 0.00 178.31 175.89 3hco h LEU 89 N -0.10 1.02 0.04 0.59 3.38 -0.80 -2.23 115.31 117.21 3hco h LEU 89 Ca 0.15 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hco h LEU 89 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3hco h LEU 89 CO -0.35 1.04 -0.19 0.25 0.09 0.00 0.00 178.44 179.29 3hco h LEU 90 N 0.97 -0.54 -1.44 1.67 5.85 -0.67 0.27 115.31 121.42 3hco h LEU 90 Ca 0.18 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 3hco h LEU 90 Cb 0.50 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3hco h LEU 90 CO 0.02 -0.26 -0.28 0.03 -0.34 0.00 0.00 178.44 177.61 3hco h ARG 91 N -0.33 0.00 -0.05 1.25 3.08 -1.14 -1.59 114.38 115.61 3hco h ARG 91 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3hco h ARG 91 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3hco h ARG 91 CO -0.15 0.28 -0.06 1.25 -1.07 0.00 0.00 179.97 180.23 3hco h LEU 92 N 0.00 0.13 -0.92 3.04 6.46 -1.03 -2.98 115.31 120.01 3hco h LEU 92 Ca -0.00 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 3hco h LEU 92 Cb 0.52 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 3hco h LEU 92 CO 0.04 0.62 0.00 -0.26 -0.62 0.00 0.00 178.44 178.22 3hco h PHE 93 N -0.36 0.00 0.00 1.25 -1.00 -0.79 -2.23 116.94 113.81 3hco h PHE 93 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3hco h PHE 93 Cb 0.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.15 3hco h PHE 93 CO 0.10 0.00 -0.13 1.28 -1.61 0.00 0.00 178.31 177.95 3hco n LEU 94 N -2.65 0.49 -4.56 1.54 4.77 -0.61 -4.69 117.00 111.29 3hco n LEU 94 Ca 0.02 0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 56.04 3hco n LEU 94 Cb 0.29 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3hco n LEU 94 CO 0.25 -0.07 1.29 -0.62 -1.33 0.00 0.00 177.39 176.90 3hco s ASP 95 N -3.82 6.00 0.53 -1.43 3.68 -0.84 -4.87 116.67 115.91 3hco s ASP 95 Ca 0.11 0.06 0.31 0.00 2.13 0.00 0.00 52.55 55.17 3hco s ASP 95 Cb 0.15 -2.55 1.30 0.00 -1.45 0.00 0.00 42.92 40.37 3hco s ASP 95 CO 0.60 -1.86 1.96 0.03 0.13 0.00 0.00 175.17 176.03 3hco h ARG 96 N 11.38 0.00 0.00 4.34 3.08 -1.89 -1.96 114.38 129.33 3hco h ARG 96 Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3hco h ARG 96 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3hco h ARG 96 CO 1.22 0.07 -0.20 -0.44 -1.07 0.00 0.00 179.97 179.54 3hco h ASP 97 N 0.00 0.00 0.00 7.04 3.32 -1.96 -3.31 116.42 121.51 3hco h ASP 97 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3hco h ASP 97 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3hco h ASP 97 CO 0.01 0.20 -0.56 0.25 -1.72 0.00 0.00 179.24 177.42 3hco h LEU 98 N 0.00 0.00 -7.61 1.55 5.85 -1.72 -3.41 115.31 109.98 3hco h LEU 98 Ca -0.00 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 3hco h LEU 98 Cb 0.65 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.52 3hco h LEU 98 CO 0.03 1.09 -0.26 0.00 -0.34 0.00 0.00 178.44 178.96 3hco s MET 99 N -2.19 0.86 -0.16 1.25 0.23 -0.78 -4.93 119.30 113.57 3hco s MET 99 Ca -0.20 -0.67 0.02 0.00 -1.03 0.00 0.00 55.69 53.81 3hco s MET 99 Cb 0.02 0.36 0.01 0.00 -1.53 0.00 0.00 34.83 33.70 3hco s MET 99 CO 0.49 -0.28 -0.21 -0.08 -2.03 0.00 0.00 175.02 172.91 3hco s THR 100 N -3.12 2.06 0.04 3.16 -1.32 -1.26 -3.99 115.64 111.21 3hco s THR 100 Ca -0.01 -0.96 0.07 0.00 -1.21 0.00 0.00 61.69 59.58 3hco s THR 100 Cb 0.01 -1.84 -0.02 0.00 -1.51 0.00 0.00 72.50 69.14 3hco s THR 100 CO -0.07 0.54 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.93 3hco s LEU 101 N 1.04 2.16 0.65 9.08 1.43 -1.26 -5.13 118.68 126.66 3hco s LEU 101 Ca -0.01 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 3hco s LEU 101 Cb -0.14 -0.93 -0.00 0.00 0.03 0.00 0.00 46.19 45.14 3hco s LEU 101 CO -0.07 0.15 1.19 -2.16 0.23 0.00 0.00 176.35 175.69 3hco s PRO 102 N -1.15 2.64 -1.38 1.29 0.04 -1.26 -3.42 135.00 131.76 3hco s PRO 102 Ca 0.07 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 3hco s PRO 102 Cb -0.09 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3hco s PRO 102 CO 0.02 -1.44 0.36 0.44 0.04 0.00 0.00 177.00 176.41 3hco n ILE 103 N -2.15 -2.17 -0.17 0.56 -5.35 -1.26 -4.69 119.36 104.13 3hco n ILE 103 Ca 0.13 -0.57 -0.08 0.00 -0.27 0.00 0.00 62.75 61.97 3hco n ILE 103 Cb 0.50 -1.87 0.02 0.00 -1.74 0.00 0.00 39.64 36.55 3hco n ILE 103 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3hco h GLN 104 N -2.15 0.71 -0.03 6.28 4.15 -1.97 -0.09 115.11 122.00 3hco h GLN 104 Ca -0.68 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 58.66 3hco h GLN 104 Cb 1.40 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 3hco h GLN 104 CO 0.61 0.56 0.06 -0.91 -1.93 0.00 0.00 178.83 177.22 3hco h ASN 105 N 0.67 0.00 0.10 -0.69 2.35 -1.91 -0.56 115.58 115.53 3hco h ASN 105 Ca 0.18 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.56 3hco h ASN 105 Cb 0.07 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3hco h ASN 105 CO -0.03 0.00 -2.23 0.29 -1.65 0.00 0.00 177.43 173.81 3hco n LYS 106 N -3.50 0.69 0.08 0.81 4.76 -0.54 -4.51 118.16 115.94 3hco n LYS 106 Ca -0.02 0.17 -0.21 0.00 -2.87 0.00 0.00 58.31 55.38 3hco n LYS 106 Cb 0.14 -1.61 -0.12 0.00 -1.84 0.00 0.00 35.03 31.60 3hco n LYS 106 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3hco h LEU 107 N 0.02 0.85 -0.31 -0.35 4.07 -0.80 -3.34 115.31 115.45 3hco h LEU 107 Ca -0.49 -0.75 0.04 0.00 0.08 0.00 0.00 57.88 56.76 3hco h LEU 107 Cb 2.02 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 43.46 3hco h LEU 107 CO 0.00 1.55 0.06 0.00 -1.08 0.00 0.00 178.44 178.98 3hco h ALA 108 N 0.37 0.33 -0.81 1.53 0.00 -1.34 -0.43 119.26 118.91 3hco h ALA 108 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hco h ALA 108 Cb 1.83 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 3hco h ALA 108 CO 0.22 -0.34 0.52 -1.35 0.00 0.00 0.00 179.25 178.29 3hco h PRO 109 N 0.18 1.07 -0.14 0.00 0.11 -1.79 0.18 132.00 131.61 3hco h PRO 109 Ca 0.14 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3hco h PRO 109 Cb 0.15 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 3hco h PRO 109 CO -0.19 0.72 -0.03 0.35 -0.21 0.00 0.00 178.00 178.65 3hco h PHE 110 N 1.10 0.29 -0.18 0.65 3.57 -1.53 -0.96 116.94 119.88 3hco h PHE 110 Ca 0.29 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3hco h PHE 110 Cb -0.10 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3hco h PHE 110 CO 0.00 0.54 0.11 0.82 -2.23 0.00 0.00 178.31 177.56 3hco h ILE 111 N -0.04 1.06 -0.65 1.41 2.04 -0.71 -0.20 117.51 120.42 3hco h ILE 111 Ca 0.04 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3hco h ILE 111 Cb 0.44 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3hco h ILE 111 CO 0.01 0.05 0.28 0.00 0.00 0.00 0.00 178.15 178.50 3hco h ALA 112 N 1.05 0.87 -0.24 1.87 0.00 -0.63 -0.07 119.26 122.10 3hco h ALA 112 Ca 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hco h ALA 112 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hco h ALA 112 CO -0.01 -0.13 0.06 0.87 0.00 0.00 0.00 179.25 180.03 3hco h LYS 113 N 0.49 0.39 -0.26 0.00 1.79 -0.92 -2.50 116.57 115.57 3hco h LYS 113 Ca 0.32 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.63 3hco h LYS 113 Cb 0.37 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3hco h LYS 113 CO -0.29 0.50 -0.12 -0.09 -1.08 0.00 0.00 179.45 178.37 3hco h ARG 114 N 0.21 0.42 -0.00 3.15 2.43 -0.70 -3.22 114.38 116.68 3hco h ARG 114 Ca 0.08 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hco h ARG 114 Cb 0.29 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hco h ARG 114 CO 0.00 0.55 -0.62 0.54 -1.51 0.00 0.00 179.97 178.93 3hco n ARG 115 N -4.22 0.03 -0.17 0.20 1.74 -0.07 -4.47 116.66 109.70 3hco n ARG 115 Ca 0.00 -0.02 -0.02 0.00 -0.77 0.00 0.00 57.85 57.05 3hco n ARG 115 Cb 0.31 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.32 3hco n ARG 115 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3hco h THR 116 N 0.04 0.69 -0.47 0.55 2.02 -1.45 -1.89 112.91 112.40 3hco h THR 116 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3hco h THR 116 Cb 0.50 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3hco h THR 116 CO 0.00 0.04 0.23 -0.65 0.37 0.00 0.00 175.52 175.51 3hco h PRO 117 N 0.23 0.67 -0.22 6.66 0.11 -1.80 0.24 132.00 137.88 3hco h PRO 117 Ca 0.27 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3hco h PRO 117 Cb 0.37 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3hco h PRO 117 CO -0.36 0.56 0.14 -0.22 -0.21 0.00 0.00 178.00 177.92 3hco h LYS 118 N 0.61 0.30 -0.37 1.05 3.64 -1.81 -1.51 116.57 118.48 3hco h LYS 118 Ca 0.16 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3hco h LYS 118 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3hco h LYS 118 CO -0.02 0.22 -0.27 0.82 -2.27 0.00 0.00 179.45 177.93 3hco h ILE 119 N 0.29 1.28 -0.65 2.00 1.08 -1.12 -1.22 117.51 119.17 3hco h ILE 119 Ca 0.08 -1.40 0.09 0.00 -0.39 0.00 0.00 64.86 63.24 3hco h ILE 119 Cb -0.01 1.28 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 3hco h ILE 119 CO -0.02 0.46 0.29 1.56 -0.69 0.00 0.00 178.15 179.75 3hco h GLN 120 N 0.66 0.49 -0.55 2.37 4.20 -0.46 -0.32 115.11 121.49 3hco h GLN 120 Ca 0.08 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3hco h GLN 120 Cb 0.79 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3hco h GLN 120 CO 0.07 0.32 0.15 1.49 -0.67 0.00 0.00 178.83 180.19 3hco h GLU 121 N 0.50 0.87 -0.53 1.46 4.57 -0.91 0.13 114.58 120.67 3hco h GLU 121 Ca 0.32 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3hco h GLU 121 Cb 0.35 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3hco h GLU 121 CO -0.28 0.81 0.33 1.96 -1.18 0.00 0.00 179.01 180.65 3hco h GLN 122 N 0.78 0.72 -0.36 1.92 1.08 -0.94 -1.91 115.11 116.40 3hco h GLN 122 Ca 0.18 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 3hco h GLN 122 Cb 0.31 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3hco h GLN 122 CO -0.00 0.51 -0.21 1.88 -0.95 0.00 0.00 178.83 180.05 3hco h TYR 123 N 0.72 0.77 -0.88 2.96 -1.99 -0.58 -2.68 116.97 115.29 3hco h TYR 123 Ca 0.19 -0.17 0.11 0.00 2.00 0.00 0.00 58.73 60.87 3hco h TYR 123 Cb -0.04 -0.19 -0.08 0.00 2.00 0.00 0.00 36.73 38.42 3hco h TYR 123 CO -0.03 0.84 0.52 -0.09 -0.00 0.00 0.00 178.16 179.40 3hco h ARG 124 N 0.61 0.80 0.00 4.88 2.43 -0.55 0.47 114.38 123.01 3hco h ARG 124 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hco h ARG 124 Cb 0.69 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3hco h ARG 124 CO 0.05 0.53 0.00 0.00 -1.51 0.00 0.00 179.97 179.04 3hco h ARG 125 N 0.82 0.00 -0.26 0.20 2.47 -1.00 -2.19 114.38 114.42 3hco h ARG 125 Ca 0.44 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 59.11 3hco h ARG 125 Cb 0.46 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 3hco h ARG 125 CO -0.27 0.00 -0.02 0.44 0.56 0.00 0.00 179.97 180.68 3hco n ILE 126 N -2.83 2.33 0.00 2.04 -5.35 -0.59 -4.95 119.36 110.01 3hco n ILE 126 Ca -0.01 -2.16 0.00 0.00 -0.27 0.00 0.00 62.75 60.31 3hco n ILE 126 Cb 0.14 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 3hco n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hco n GLY 127 N -0.78 0.78 0.00 3.28 0.00 -0.82 -4.66 105.19 102.99 3hco n GLY 127 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3hco n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hco n GLY 128 N -1.09 1.04 0.00 -0.02 0.00 0.05 -4.96 105.19 100.21 3hco n GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hco n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hco n GLY 129 N -1.42 -1.10 3.69 -0.02 0.00 -1.20 -2.83 105.19 102.31 3hco n GLY 129 Ca 0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3hco n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hco s SER 130 N -4.00 5.59 0.00 1.61 0.15 0.51 -4.94 113.70 112.61 3hco s SER 130 Ca 0.00 0.16 0.09 0.00 0.70 0.00 0.00 55.95 56.91 3hco s SER 130 Cb 0.00 -1.81 0.33 0.00 -1.71 0.00 0.00 66.02 62.84 3hco s SER 130 CO 0.00 0.29 1.25 -0.81 1.20 0.00 0.00 173.24 175.17 3hco n PRO 131 N 2.76 1.50 -0.35 5.44 -0.04 -1.26 -4.45 135.00 138.60 3hco n PRO 131 Ca -0.18 -0.77 0.03 0.00 -0.04 0.00 0.00 63.50 62.54 3hco n PRO 131 Cb 0.53 -1.21 0.20 0.00 -0.04 0.00 0.00 33.50 32.98 3hco n PRO 131 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hco h ILE 132 N 1.30 1.08 -0.09 0.52 2.10 -1.91 -1.70 117.51 118.81 3hco h ILE 132 Ca 0.00 -0.39 -0.01 0.00 1.08 0.00 0.00 64.86 65.54 3hco h ILE 132 Cb 0.30 -0.15 -0.00 0.00 -1.09 0.00 0.00 36.82 35.87 3hco h ILE 132 CO 0.00 0.21 0.02 0.50 -1.08 0.00 0.00 178.15 177.80 3hco h LYS 133 N 1.14 0.14 -0.34 2.19 3.64 -1.91 0.79 116.57 122.22 3hco h LYS 133 Ca 0.42 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 3hco h LYS 133 Cb 0.17 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3hco h LYS 133 CO -0.16 0.31 0.18 0.82 -2.27 0.00 0.00 179.45 178.33 3hco h ILE 134 N -0.05 1.15 -0.53 2.00 5.03 -1.82 -0.87 117.51 122.42 3hco h ILE 134 Ca 0.03 -0.40 -0.07 0.00 -0.12 0.00 0.00 64.86 64.30 3hco h ILE 134 Cb 0.23 0.80 -0.02 0.00 -3.03 0.00 0.00 36.82 34.80 3hco h ILE 134 CO -0.00 0.15 0.05 -0.50 -0.68 0.00 0.00 178.15 177.17 3hco h TRP 135 N 0.41 0.97 -0.65 1.37 -0.00 -1.29 -1.74 115.95 115.02 3hco h TRP 135 Ca 0.12 -0.15 -0.04 0.00 -0.00 0.00 0.00 58.89 58.81 3hco h TRP 135 Cb 0.08 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 28.95 3hco h TRP 135 CO -0.02 0.88 0.25 1.15 -0.00 0.00 0.00 178.44 180.70 3hco h THR 136 N 0.78 1.24 0.26 1.49 2.02 -0.61 -1.27 112.91 116.82 3hco h THR 136 Ca 0.16 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3hco h THR 136 Cb 0.47 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3hco h THR 136 CO 0.02 0.30 -0.22 0.28 0.37 0.00 0.00 175.52 176.27 3hco h SER 137 N 0.92 -0.57 -0.46 4.18 0.02 -1.05 0.75 113.55 117.34 3hco h SER 137 Ca 0.22 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 3hco h SER 137 Cb 0.22 0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 3hco h SER 137 CO -0.02 -0.33 0.14 0.11 -1.14 0.00 0.00 176.83 175.60 3hco h LYS 138 N -0.49 0.29 -0.68 3.45 6.56 -1.17 0.18 116.57 124.71 3hco h LYS 138 Ca -0.01 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 3hco h LYS 138 Cb 0.44 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.01 3hco h LYS 138 CO -0.03 0.19 0.21 1.96 -2.06 0.00 0.00 179.45 179.73 3hco h GLN 139 N 0.30 1.06 -0.15 3.15 1.08 -1.14 -1.85 115.11 117.56 3hco h GLN 139 Ca 0.22 -0.23 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 3hco h GLN 139 Cb 0.25 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3hco h GLN 139 CO -0.25 0.92 -0.11 0.78 -0.95 0.00 0.00 178.83 179.22 3hco h GLY 140 N 1.00 -0.00 0.35 3.46 0.00 0.04 0.12 103.07 108.04 3hco h GLY 140 Ca 0.22 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.74 3hco h GLY 140 CO -0.01 -0.13 -0.18 0.83 0.00 0.00 0.00 176.54 177.06 3hco h GLU 141 N -0.13 -0.20 -0.68 4.80 5.08 -0.55 -1.93 114.58 120.97 3hco h GLU 141 Ca 0.09 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3hco h GLU 141 Cb 0.26 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3hco h GLU 141 CO -0.22 -0.13 0.45 0.78 -1.00 0.00 0.00 179.01 178.88 3hco h GLY 142 N -0.21 0.96 0.56 -3.84 0.00 -1.07 -2.39 103.07 97.08 3hco h GLY 142 Ca 0.11 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.09 3hco h GLY 142 CO -0.29 0.36 -0.26 1.98 0.00 0.00 0.00 176.54 178.32 3hco h MET 143 N 0.92 -0.46 -0.67 4.80 -1.53 -0.54 -2.36 114.93 115.09 3hco h MET 143 Ca 0.25 0.03 0.02 0.00 -3.44 0.00 0.00 59.70 56.56 3hco h MET 143 Cb -0.10 0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.02 3hco h MET 143 CO -0.05 -0.31 0.43 0.28 0.14 0.00 0.00 176.91 177.40 3hco h VAL 144 N -0.48 1.12 -0.70 -5.77 2.07 -1.28 0.06 116.25 111.27 3hco h VAL 144 Ca 0.03 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3hco h VAL 144 Cb 0.50 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3hco h VAL 144 CO -0.14 0.16 0.28 0.50 0.02 0.00 0.00 177.57 178.38 3hco h LYS 145 N 0.86 1.03 -0.14 1.57 3.11 -1.32 -0.96 116.57 120.72 3hco h LYS 145 Ca 0.26 -0.18 -0.16 0.00 -2.81 0.00 0.00 60.65 57.77 3hco h LYS 145 Cb -0.03 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.01 3hco h LYS 145 CO -0.08 0.84 -0.58 -0.07 -2.81 0.00 0.00 179.45 176.75 3hco h LEU 146 N 1.01 0.50 -0.71 5.20 3.38 -0.96 -3.26 115.31 120.47 3hco h LEU 146 Ca 0.24 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3hco h LEU 146 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hco h LEU 146 CO -0.02 0.97 -0.39 -0.07 0.09 0.00 0.00 178.44 179.01 3hco h LEU 147 N 0.34 0.57 -1.58 1.67 3.38 -0.34 -0.10 115.31 119.24 3hco h LEU 147 Ca 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3hco h LEU 147 Cb 1.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3hco h LEU 147 CO 0.10 0.90 0.00 0.44 0.09 0.00 0.00 178.44 179.97 3hco h ASP 148 N 0.45 0.24 0.28 -0.43 3.32 -1.24 0.15 116.42 119.19 3hco h ASP 148 Ca 0.04 -0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.73 3hco h ASP 148 Cb 0.88 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.40 3hco h ASP 148 CO 0.08 0.29 -1.54 -0.33 -1.72 0.00 0.00 179.24 176.02 3hco h GLU 149 N 0.26 0.47 -0.11 3.56 4.39 -1.55 -3.35 114.58 118.25 3hco h GLU 149 Ca 0.06 -0.81 -0.20 0.00 0.34 0.00 0.00 59.36 58.75 3hco h GLU 149 Cb 0.18 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3hco h GLU 149 CO 0.00 1.38 -0.75 -0.07 -1.16 0.00 0.00 179.01 178.42 3hco h LEU 150 N 0.13 0.68 -6.37 1.33 3.38 -0.45 -3.38 115.31 110.62 3hco h LEU 150 Ca -0.27 -0.44 -0.59 0.00 0.09 0.00 0.00 57.88 56.67 3hco h LEU 150 Cb 2.14 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 42.29 3hco h LEU 150 CO 0.24 1.21 -0.85 -0.24 0.09 0.00 0.00 178.44 178.89 3hco n SER 151 N -3.88 1.37 0.26 -0.43 2.88 0.47 -4.96 113.62 109.33 3hco n SER 151 Ca -0.06 -2.88 0.10 0.00 -1.33 0.00 0.00 58.87 54.70 3hco n SER 151 Cb 0.72 -0.65 0.67 0.00 -0.75 0.00 0.00 64.21 64.21 3hco n SER 151 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hco h PRO 152 N 4.79 0.00 0.00 -1.46 0.13 -1.76 -2.11 132.00 131.59 3hco h PRO 152 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3hco h PRO 152 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3hco h PRO 152 CO 0.57 0.10 -0.02 -0.91 -0.23 0.00 0.00 178.00 177.51 3hco h ASN 153 N 0.00 0.00 -0.01 1.44 2.35 -1.93 -2.72 115.58 114.71 3hco h ASN 153 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hco h ASN 153 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3hco h ASN 153 CO 0.01 0.02 -0.30 0.35 -1.65 0.00 0.00 177.43 175.86 3hco n THR 154 N -3.17 0.00 -2.10 2.81 -2.24 -0.82 -5.01 114.28 103.75 3hco n THR 154 Ca -0.01 -0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 61.04 3hco n THR 154 Cb 0.20 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3hco n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hco s ALA 155 N -1.71 3.06 0.24 6.98 0.00 -1.03 -3.88 121.76 125.42 3hco s ALA 155 Ca 0.11 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 3hco s ALA 155 Cb 0.11 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3hco s ALA 155 CO 0.35 -0.84 0.77 -1.25 0.00 0.00 0.00 175.76 174.79 3hco s PRO 156 N -2.54 4.35 0.10 0.00 0.04 -1.26 -4.79 135.00 130.90 3hco s PRO 156 Ca 0.62 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 3hco s PRO 156 Cb -0.34 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 3hco s PRO 156 CO 0.42 0.39 0.34 -1.01 0.04 0.00 0.00 177.00 177.18 3hco s HIS 157 N -1.50 3.51 -0.03 0.56 3.76 -1.26 -1.05 115.29 119.28 3hco s HIS 157 Ca 0.44 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 3hco s HIS 157 Cb -0.18 -1.99 0.03 0.00 1.11 0.00 0.00 32.58 31.55 3hco s HIS 157 CO 0.22 0.50 0.00 0.21 -0.85 0.00 0.00 174.74 174.82 3hco s LYS 158 N -2.37 0.34 0.23 1.40 2.20 0.01 -4.95 119.74 116.60 3hco s LYS 158 Ca 0.37 0.08 -0.11 0.00 -0.36 0.00 0.00 55.97 55.95 3hco s LYS 158 Cb -0.13 -0.55 -0.07 0.00 -1.51 0.00 0.00 37.83 35.57 3hco s LYS 158 CO 0.23 -0.15 0.57 1.52 -0.36 0.00 0.00 175.35 177.15 3hco s TYR 159 N 1.15 3.44 -0.01 4.03 -0.85 -1.26 -0.66 117.35 123.18 3hco s TYR 159 Ca -0.08 0.93 0.03 0.00 -0.52 0.00 0.00 57.07 57.43 3hco s TYR 159 Cb -0.13 -2.30 -0.01 0.00 0.38 0.00 0.00 41.96 39.90 3hco s TYR 159 CO -0.02 0.27 -0.11 0.71 -1.52 0.00 0.00 175.55 174.88 3hco s TYR 160 N -1.79 1.02 -0.14 -3.49 1.51 0.39 -4.87 117.35 109.98 3hco s TYR 160 Ca 0.47 -0.22 -0.19 0.00 -1.01 0.00 0.00 57.07 56.13 3hco s TYR 160 Cb -0.11 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 3hco s TYR 160 CO 0.21 -0.05 0.50 0.42 -1.11 0.00 0.00 175.55 175.52 3hco s ILE 161 N -0.12 5.16 -0.47 2.71 1.01 -1.26 -0.39 121.20 127.83 3hco s ILE 161 Ca 0.02 0.98 0.03 0.00 0.00 0.00 0.00 60.65 61.67 3hco s ILE 161 Cb -0.06 -3.84 0.14 0.00 0.01 0.00 0.00 42.46 38.71 3hco s ILE 161 CO -0.00 0.28 0.25 -0.83 0.00 0.00 0.00 174.94 174.64 3hco s GLY 162 N 0.80 1.93 0.16 6.18 0.00 0.06 -4.63 107.32 111.82 3hco s GLY 162 Ca 0.26 -2.83 -0.16 0.00 0.00 0.00 0.00 44.72 41.99 3hco s GLY 162 CO 0.10 1.38 0.60 -1.36 0.00 0.00 0.00 173.10 173.83 3hco s PHE 163 N 0.11 3.63 0.14 1.90 2.99 0.12 -2.54 117.98 124.33 3hco s PHE 163 Ca 0.18 1.17 -0.08 0.00 0.00 0.00 0.00 56.93 58.20 3hco s PHE 163 Cb -0.24 -2.45 -0.04 0.00 0.00 0.00 0.00 43.02 40.29 3hco s PHE 163 CO -0.01 0.41 1.39 -0.09 -0.00 0.00 0.00 175.22 176.92 3hco h ARG 164 N 3.58 0.66 0.00 0.44 9.65 -0.82 -1.59 114.38 126.30 3hco h ARG 164 Ca -0.48 -0.50 0.00 0.00 -1.10 0.00 0.00 59.98 57.90 3hco h ARG 164 Cb 1.19 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 3hco h ARG 164 CO 0.65 1.12 0.00 0.66 2.80 0.00 0.00 179.97 185.20 3hco n TYR 165 N -3.92 0.00 -3.96 2.20 0.53 -0.83 -4.74 117.16 106.43 3hco n TYR 165 Ca -0.05 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.74 3hco n TYR 165 Cb 0.70 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.92 3hco n TYR 165 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 3hco s VAL 166 N -0.15 0.14 0.43 -0.72 -7.23 -1.26 -4.17 120.40 107.45 3hco s VAL 166 Ca 0.00 -1.45 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 3hco s VAL 166 Cb 0.00 -1.54 -0.08 0.00 0.56 0.00 0.00 36.38 35.32 3hco s VAL 166 CO 0.00 -0.66 1.22 -1.00 -0.31 0.00 0.00 175.10 174.35 3hco s HIS 167 N -3.91 2.87 0.02 2.82 3.76 -1.26 -3.07 115.29 116.52 3hco s HIS 167 Ca 0.10 1.49 -0.30 0.00 -0.15 0.00 0.00 55.06 56.20 3hco s HIS 167 Cb 0.06 -3.50 -0.05 0.00 1.11 0.00 0.00 32.58 30.20 3hco s HIS 167 CO -0.08 -1.72 1.21 -1.25 -0.85 0.00 0.00 174.74 172.05 3hco s PRO 168 N -2.45 4.40 0.53 8.40 0.04 -1.26 -4.96 135.00 139.70 3hco s PRO 168 Ca 0.60 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 3hco s PRO 168 Cb -0.33 -3.42 -0.07 0.00 0.04 0.00 0.00 34.50 30.72 3hco s PRO 168 CO 0.41 -0.32 1.00 -0.51 0.04 0.00 0.00 177.00 177.62 3hco s LEU 169 N 1.45 3.60 0.28 -3.56 1.43 -1.17 -0.70 118.68 120.00 3hco s LEU 169 Ca 0.58 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 3hco s LEU 169 Cb -0.28 -4.51 0.63 0.00 0.03 0.00 0.00 46.19 42.06 3hco s LEU 169 CO 0.27 -0.72 1.70 0.74 0.23 0.00 0.00 176.35 178.57 3hco h THR 170 N 0.81 0.52 -0.52 5.49 2.02 -1.52 0.13 112.91 119.84 3hco h THR 170 Ca -0.47 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.45 3hco h THR 170 Cb 1.19 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3hco h THR 170 CO 0.60 0.07 -0.15 -0.33 0.37 0.00 0.00 175.52 176.08 3hco h GLU 171 N 0.40 1.02 -0.38 6.66 3.07 -1.91 -0.27 114.58 123.17 3hco h GLU 171 Ca 0.51 -0.40 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 3hco h GLU 171 Cb 0.92 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 3hco h GLU 171 CO -0.50 1.09 -0.12 0.93 -1.40 0.00 0.00 179.01 179.00 3hco h GLU 172 N 0.89 0.68 -0.45 2.33 5.08 -1.42 -1.90 114.58 119.79 3hco h GLU 172 Ca 0.13 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 3hco h GLU 172 Cb 0.73 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3hco h GLU 172 CO 0.06 0.78 -0.21 0.00 -1.00 0.00 0.00 179.01 178.64 3hco h ALA 173 N 1.25 0.78 -0.36 3.43 0.00 -0.73 -2.26 119.26 121.37 3hco h ALA 173 Ca 0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3hco h ALA 173 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hco h ALA 173 CO 0.04 0.66 0.07 0.82 0.00 0.00 0.00 179.25 180.84 3hco h ILE 174 N 0.78 1.23 -0.44 0.00 2.04 -0.61 -1.54 117.51 118.98 3hco h ILE 174 Ca 0.11 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.21 3hco h ILE 174 Cb 0.76 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3hco h ILE 174 CO 0.06 0.27 0.18 -0.08 0.00 0.00 0.00 178.15 178.59 3hco h GLU 175 N 0.44 0.36 -0.56 2.37 4.81 -1.35 -1.39 114.58 119.26 3hco h GLU 175 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3hco h GLU 175 Cb 0.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3hco h GLU 175 CO 0.00 0.24 0.36 1.49 -0.73 0.00 0.00 179.01 180.37 3hco h GLU 176 N 0.37 0.75 -0.52 1.92 4.81 -1.24 -1.96 114.58 118.71 3hco h GLU 176 Ca 0.20 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3hco h GLU 176 Cb 0.16 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3hco h GLU 176 CO -0.18 0.52 0.28 0.52 -0.73 0.00 0.00 179.01 179.43 3hco h MET 177 N 0.76 0.53 0.14 1.92 2.86 -0.80 0.56 114.93 120.90 3hco h MET 177 Ca 0.20 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3hco h MET 177 Cb -0.05 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.49 3hco h MET 177 CO -0.04 0.35 -0.07 0.93 1.06 0.00 0.00 176.91 179.15 3hco h GLU 178 N 0.55 -0.18 -0.99 1.72 4.39 -1.17 -2.58 114.58 116.33 3hco h GLU 178 Ca 0.23 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.09 3hco h GLU 178 Cb 0.10 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.70 3hco h GLU 178 CO -0.14 -0.11 0.62 0.00 -1.16 0.00 0.00 179.01 178.22 3hco h ARG 179 N -0.20 0.83 0.00 2.33 -0.00 -0.89 0.48 114.38 116.93 3hco h ARG 179 Ca -0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 3hco h ARG 179 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 29.94 3hco h ARG 179 CO 0.03 0.55 0.00 -0.25 0.00 0.00 0.00 179.97 180.30 3hco n ASP 180 N -4.66 0.00 -3.66 7.04 9.92 0.15 -4.88 116.55 120.45 3hco n ASP 180 Ca 0.21 0.31 -0.22 0.00 -0.53 0.00 0.00 54.79 54.55 3hco n ASP 180 Cb 0.46 -0.40 0.05 0.00 -0.64 0.00 0.00 41.12 40.60 3hco n ASP 180 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hco n GLY 181 N -0.10 -0.38 3.76 0.44 0.00 0.16 -4.66 105.19 104.41 3hco n GLY 181 Ca 0.05 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3hco n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hco s LEU 182 N -6.80 3.41 0.18 0.99 1.43 -1.23 -4.95 118.68 111.71 3hco s LEU 182 Ca 0.20 2.12 0.14 0.00 -1.03 0.00 0.00 54.13 55.56 3hco s LEU 182 Cb -0.10 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.51 3hco s LEU 182 CO 0.78 -1.77 1.24 -0.33 0.23 0.00 0.00 176.35 176.51 3hco h GLU 183 N 0.07 0.00 -3.09 1.70 5.08 -1.32 -3.43 114.58 113.60 3hco h GLU 183 Ca -0.47 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.72 3hco h GLU 183 Cb 1.26 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.25 3hco h GLU 183 CO 0.53 0.56 -0.41 0.50 -1.00 0.00 0.00 179.01 179.19 3hco s ARG 184 N -2.88 0.30 -0.06 2.33 3.52 -1.16 -3.15 118.95 117.86 3hco s ARG 184 Ca 0.01 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 3hco s ARG 184 Cb 0.08 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 3hco s ARG 184 CO 0.78 -0.05 -0.09 0.00 -0.81 0.00 0.00 175.30 175.13 3hco s ALA 185 N 0.23 1.05 -0.19 6.12 0.00 0.18 -0.93 121.76 128.21 3hco s ALA 185 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 3hco s ALA 185 Cb -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.58 3hco s ALA 185 CO -0.00 0.05 -0.15 0.42 0.00 0.00 0.00 175.76 176.08 3hco s ILE 186 N 0.78 2.48 -0.58 0.00 1.01 -0.48 -1.69 121.20 122.72 3hco s ILE 186 Ca -0.13 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 3hco s ILE 186 Cb -0.15 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.30 3hco s ILE 186 CO 0.02 0.50 0.86 0.00 0.00 0.00 0.00 174.94 176.32 3hco s ALA 187 N 1.35 3.21 -0.44 9.38 0.00 0.30 -0.28 121.76 135.29 3hco s ALA 187 Ca 0.05 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.32 3hco s ALA 187 Cb -0.13 -3.68 0.11 0.00 0.00 0.00 0.00 23.12 19.42 3hco s ALA 187 CO -0.10 -2.43 0.27 0.12 0.00 0.00 0.00 175.76 173.62 3hco s PHE 188 N 3.59 3.51 0.30 0.00 5.99 0.52 -1.25 117.98 130.63 3hco s PHE 188 Ca 0.23 -2.15 -0.29 0.00 0.00 0.00 0.00 56.93 54.71 3hco s PHE 188 Cb -0.16 -3.34 -0.10 0.00 0.00 0.00 0.00 43.02 39.42 3hco s PHE 188 CO 0.13 -0.98 1.33 -0.08 -0.00 0.00 0.00 175.22 175.62 3hco s THR 189 N 1.25 2.80 -2.34 0.12 -1.32 -0.78 -1.47 115.64 113.89 3hco s THR 189 Ca 0.07 0.75 0.21 0.00 -1.21 0.00 0.00 61.69 61.51 3hco s THR 189 Cb -0.24 -3.48 0.44 0.00 -1.51 0.00 0.00 72.50 67.71 3hco s THR 189 CO -0.02 0.16 1.49 0.00 -2.21 0.00 0.00 174.62 174.04 3hco n GLN 190 N 1.35 1.96 -3.27 7.08 1.13 0.13 -4.75 117.38 121.01 3hco n GLN 190 Ca 0.02 -1.44 -0.41 0.00 -1.94 0.00 0.00 57.00 53.23 3hco n GLN 190 Cb 0.42 -1.42 -0.08 0.00 0.11 0.00 0.00 30.24 29.26 3hco n GLN 190 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hco s TYR 191 N -1.71 3.20 0.41 1.08 1.51 -1.26 -4.78 117.35 115.81 3hco s TYR 191 Ca 0.34 0.26 0.21 0.00 -1.01 0.00 0.00 57.07 56.87 3hco s TYR 191 Cb 0.19 -2.83 1.18 0.00 -0.11 0.00 0.00 41.96 40.39 3hco s TYR 191 CO 0.27 -0.45 2.00 -1.35 -1.11 0.00 0.00 175.55 174.91 3hco h PRO 192 N 8.35 0.00 -5.59 -1.71 0.11 -1.86 -3.42 132.00 127.89 3hco h PRO 192 Ca -0.29 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.16 3hco h PRO 192 Cb 1.13 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.01 3hco h PRO 192 CO 0.74 0.18 -0.72 -0.65 -0.21 0.00 0.00 178.00 177.34 3hco s GLN 193 N -4.32 3.25 -0.05 1.05 1.11 -1.26 -0.51 119.66 118.94 3hco s GLN 193 Ca -0.03 -0.61 -0.27 0.00 0.01 0.00 0.00 55.36 54.45 3hco s GLN 193 Cb 0.14 -2.68 -0.03 0.00 -1.01 0.00 0.00 33.01 29.44 3hco s GLN 193 CO 0.64 0.35 0.88 -0.47 0.01 0.00 0.00 175.29 176.71 3hco s TYR 194 N 0.01 3.59 0.06 0.91 5.04 -1.26 -4.85 117.35 120.84 3hco s TYR 194 Ca -0.02 1.50 0.07 0.00 -2.44 0.00 0.00 57.07 56.18 3hco s TYR 194 Cb -0.14 -3.02 -0.03 0.00 0.35 0.00 0.00 41.96 39.13 3hco s TYR 194 CO 0.04 -0.03 -0.19 0.45 -1.34 0.00 0.00 175.55 174.48 3hco s SER 195 N 0.97 2.30 0.58 4.32 0.15 -1.26 -1.73 113.70 119.03 3hco s SER 195 Ca 0.46 -0.54 0.27 0.00 0.70 0.00 0.00 55.95 56.83 3hco s SER 195 Cb -0.19 -0.17 1.64 0.00 -1.71 0.00 0.00 66.02 65.60 3hco s SER 195 CO 0.22 0.11 2.15 0.00 1.20 0.00 0.00 173.24 176.92 3hco h SER 197 N 0.00 0.00 0.00 0.00 4.64 -1.92 -1.21 113.55 115.06 3hco h SER 197 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hco h SER 197 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hco h SER 197 CO -0.00 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 3hco n THR 198 N -3.10 0.00 -0.35 2.95 -2.24 -0.92 -4.43 114.28 106.18 3hco n THR 198 Ca 0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.89 3hco n THR 198 Cb 0.54 -0.21 0.24 0.00 -2.10 0.00 0.00 70.33 68.80 3hco n THR 198 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hco h THR 199 N 0.00 0.90 -0.16 4.28 2.02 -1.76 -1.25 112.91 116.94 3hco h THR 199 Ca 0.00 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 3hco h THR 199 Cb 0.00 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.27 3hco h THR 199 CO 0.00 0.17 0.09 1.23 0.37 0.00 0.00 175.52 177.38 3hco h GLY 200 N 0.95 0.24 0.89 2.16 0.00 -1.22 0.17 103.07 106.26 3hco h GLY 200 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3hco h GLY 200 CO -0.28 0.11 -0.09 0.23 0.00 0.00 0.00 176.54 176.51 3hco h SER 201 N 0.15 -0.24 -0.84 0.19 0.87 -0.67 0.10 113.55 113.12 3hco h SER 201 Ca 0.06 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 3hco h SER 201 Cb 0.08 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 3hco h SER 201 CO -0.01 -0.14 0.55 0.28 -0.53 0.00 0.00 176.83 176.98 3hco h SER 202 N -0.20 0.70 -0.11 6.23 0.02 -0.81 -0.91 113.55 118.46 3hco h SER 202 Ca 0.00 0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.76 3hco h SER 202 Cb 0.19 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.63 3hco h SER 202 CO -0.03 0.40 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.20 3hco h LEU 203 N 0.77 0.89 -1.82 5.07 3.38 -0.33 -3.01 115.31 120.26 3hco h LEU 203 Ca 0.40 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3hco h LEU 203 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hco h LEU 203 CO -0.16 1.41 0.03 0.78 0.09 0.00 0.00 178.44 180.59 3hco h ASN 204 N 0.44 0.13 0.31 -0.43 4.21 -0.40 -0.86 115.58 118.98 3hco h ASN 204 Ca -0.07 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.39 3hco h ASN 204 Cb 1.44 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.60 3hco h ASN 204 CO 0.16 0.13 -0.23 0.00 -1.29 0.00 0.00 177.43 176.21 3hco h ALA 205 N 1.89 1.48 -0.01 -0.83 0.00 -1.04 0.44 119.26 121.18 3hco h ALA 205 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3hco h ALA 205 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hco h ALA 205 CO -0.00 0.29 -0.22 0.82 0.00 0.00 0.00 179.25 180.13 3hco h ILE 206 N 0.00 1.53 -0.63 0.00 2.04 -1.12 -1.11 117.51 118.21 3hco h ILE 206 Ca -0.00 -1.86 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 3hco h ILE 206 Cb 0.44 2.67 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 3hco h ILE 206 CO 0.03 0.51 0.32 0.22 0.00 0.00 0.00 178.15 179.23 3hco h TYR 207 N -0.47 0.89 0.00 1.37 3.20 -1.35 -3.02 116.97 117.59 3hco h TYR 207 Ca -0.02 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 3hco h TYR 207 Cb 0.95 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3hco h TYR 207 CO 0.17 0.66 -0.22 0.00 -1.64 0.00 0.00 178.16 177.13 3hco h ARG 208 N 0.86 0.00 0.05 1.82 3.08 -0.04 -1.54 114.38 118.62 3hco h ARG 208 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3hco h ARG 208 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3hco h ARG 208 CO -0.03 0.22 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.14 3hco h TYR 209 N 0.00 -0.07 -0.71 3.04 3.20 -1.08 0.69 116.97 122.04 3hco h TYR 209 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3hco h TYR 209 Cb 0.40 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3hco h TYR 209 CO 0.00 0.24 0.17 1.88 -1.64 0.00 0.00 178.16 178.81 3hco h TYR 210 N -0.38 1.20 0.00 -3.82 -1.99 -1.45 -0.57 116.97 109.96 3hco h TYR 210 Ca -0.01 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.55 3hco h TYR 210 Cb 0.34 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3hco h TYR 210 CO 0.03 0.97 -0.13 -0.97 -0.00 0.00 0.00 178.16 178.07 3hco h ASN 211 N 1.08 0.00 0.03 3.88 -0.73 -1.25 -1.32 115.58 117.27 3hco h ASN 211 Ca 0.22 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.39 3hco h ASN 211 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.97 3hco h ASN 211 CO 0.00 0.13 -0.01 -0.61 -0.37 0.00 0.00 177.43 176.57 3hco h GLN 212 N 0.00 -0.03 -0.01 6.67 5.75 -0.32 -3.27 115.11 123.89 3hco h GLN 212 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hco h GLN 212 Cb 0.29 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.85 3hco h GLN 212 CO 0.02 0.67 0.00 1.33 -2.65 0.00 0.00 178.83 178.20 3hco n VAL 213 N -4.74 0.02 -2.54 2.39 0.24 -0.27 -4.90 118.33 108.53 3hco n VAL 213 Ca -0.09 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 62.02 3hco n VAL 213 Cb 0.35 -0.16 -0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3hco n VAL 213 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hco n GLY 214 N 0.71 -0.50 3.48 7.63 0.00 -0.53 -4.95 105.19 111.04 3hco n GLY 214 Ca 0.09 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3hco n GLY 214 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hco s ARG 215 N -5.16 1.87 0.08 1.61 1.70 -1.03 -5.05 118.95 112.97 3hco s ARG 215 Ca 0.05 -1.73 0.04 0.00 -0.47 0.00 0.00 55.73 53.62 3hco s ARG 215 Cb -0.03 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 3hco s ARG 215 CO 0.07 -0.77 0.02 0.15 -1.08 0.00 0.00 175.30 173.69 3hco s LYS 216 N -3.15 2.67 0.31 3.89 1.02 -1.26 -4.56 119.74 118.66 3hco s LYS 216 Ca 0.30 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 55.25 3hco s LYS 216 Cb -0.00 -2.61 -0.14 0.00 -0.52 0.00 0.00 37.83 34.56 3hco s LYS 216 CO 0.20 0.56 0.97 -2.30 -0.92 0.00 0.00 175.35 173.85 3hco n PRO 217 N 0.60 1.28 -0.36 -1.68 -0.02 -1.26 -4.90 135.00 128.67 3hco n PRO 217 Ca -0.10 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 3hco n PRO 217 Cb 0.52 -1.83 0.32 0.00 -0.02 0.00 0.00 33.50 32.48 3hco n PRO 217 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hco n THR 218 N 0.07 0.95 -4.20 3.45 -2.24 -1.26 -4.94 114.28 106.11 3hco n THR 218 Ca 0.10 -0.97 -0.17 0.00 -2.27 0.00 0.00 64.05 60.73 3hco n THR 218 Cb 0.33 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.99 3hco n THR 218 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3hco s MET 219 N -1.05 0.91 -0.39 -0.78 -1.94 -1.26 -4.90 119.30 109.89 3hco s MET 219 Ca 0.49 -1.11 -0.29 0.00 -1.71 0.00 0.00 55.69 53.06 3hco s MET 219 Cb 0.26 -0.80 0.02 0.00 2.01 0.00 0.00 34.83 36.32 3hco s MET 219 CO 0.34 0.16 1.21 0.21 -0.01 0.00 0.00 175.02 176.93 3hco s LYS 220 N -2.34 3.81 0.11 2.03 2.47 -1.19 -4.87 119.74 119.76 3hco s LYS 220 Ca 0.04 0.90 -0.01 0.00 -1.56 0.00 0.00 55.97 55.33 3hco s LYS 220 Cb -0.06 -3.89 -0.04 0.00 -1.46 0.00 0.00 37.83 32.37 3hco s LYS 220 CO 0.02 -1.26 0.29 -1.58 0.16 0.00 0.00 175.35 172.98 3hco s TRP 221 N 4.45 3.50 0.30 4.03 0.52 -1.26 -0.65 118.94 129.83 3hco s TRP 221 Ca 0.52 0.35 -0.14 0.00 0.02 0.00 0.00 56.10 56.85 3hco s TRP 221 Cb -0.11 -1.84 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3hco s TRP 221 CO 0.26 0.51 0.60 -1.54 0.02 0.00 0.00 176.95 176.80 3hco s SER 222 N -2.61 0.05 -0.01 2.95 1.04 -0.68 -4.83 113.70 109.60 3hco s SER 222 Ca 0.37 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 3hco s SER 222 Cb -0.12 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3hco s SER 222 CO 0.27 -1.33 0.04 0.28 0.98 0.00 0.00 173.24 173.48 3hco s THR 223 N -3.50 0.01 -0.62 2.02 -1.32 -0.22 -0.54 115.64 111.47 3hco s THR 223 Ca 0.20 -0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.45 3hco s THR 223 Cb -0.03 -0.10 0.16 0.00 -1.51 0.00 0.00 72.50 71.02 3hco s THR 223 CO 0.11 -0.06 0.53 -0.63 -2.21 0.00 0.00 174.62 172.36 3hco s ILE 224 N -0.18 4.83 -1.25 5.08 1.01 -0.38 -4.01 121.20 126.29 3hco s ILE 224 Ca -0.02 -2.11 0.23 0.00 0.00 0.00 0.00 60.65 58.75 3hco s ILE 224 Cb -0.02 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 3hco s ILE 224 CO -0.00 -0.89 1.19 -0.90 0.00 0.00 0.00 174.94 174.34 3hco n ASP 225 N 4.49 0.98 -3.52 3.58 5.75 -1.26 -1.87 116.55 124.70 3hco n ASP 225 Ca -0.00 -0.80 -0.08 0.00 -0.01 0.00 0.00 54.79 53.89 3hco n ASP 225 Cb 0.42 0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 41.05 3hco n ASP 225 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hco s ARG 226 N -2.86 0.90 -0.40 0.11 1.70 -1.26 -4.63 118.95 112.51 3hco s ARG 226 Ca 0.13 -0.35 0.06 0.00 -0.47 0.00 0.00 55.73 55.10 3hco s ARG 226 Cb 0.17 0.40 0.31 0.00 -0.57 0.00 0.00 34.95 35.26 3hco s ARG 226 CO 0.72 -0.39 1.24 -2.67 -1.08 0.00 0.00 175.30 173.12 3hco n TRP 227 N -0.28 -2.06 0.40 5.89 4.27 0.34 -5.03 117.44 120.98 3hco n TRP 227 Ca -0.09 -1.67 0.13 0.00 -3.89 0.00 0.00 57.50 51.97 3hco n TRP 227 Cb 0.62 1.50 0.50 0.00 -1.36 0.00 0.00 31.31 32.58 3hco n TRP 227 CO 0.00 0.00 0.00 -1.00 -2.29 0.00 0.00 177.69 174.40 3hco h PRO 228 N 2.25 0.00 0.00 -2.67 0.13 -1.72 -3.17 132.00 126.81 3hco h PRO 228 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3hco h PRO 228 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hco h PRO 228 CO -0.01 0.00 -0.13 0.25 -0.23 0.00 0.00 178.00 177.87 3hco n THR 229 N -2.35 1.04 -1.63 1.56 -2.24 -1.26 -3.97 114.28 105.42 3hco n THR 229 Ca 0.02 -1.21 -0.48 0.00 -2.27 0.00 0.00 64.05 60.12 3hco n THR 229 Cb 0.26 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 3hco n THR 229 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hco n HIS 230 N -0.74 1.87 0.06 4.78 -0.00 -1.20 -4.81 115.22 115.18 3hco n HIS 230 Ca 0.07 0.48 0.03 0.00 0.46 0.00 0.00 57.72 58.77 3hco n HIS 230 Cb 0.57 -2.42 0.42 0.00 -0.12 0.00 0.00 29.99 28.45 3hco n HIS 230 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3hco h HIS 231 N 4.59 0.38 0.08 1.57 2.07 -1.97 -1.22 115.15 120.65 3hco h HIS 231 Ca -0.45 -0.01 -0.25 0.00 -2.85 0.00 0.00 60.37 56.81 3hco h HIS 231 Cb 1.30 -0.12 -0.00 0.00 2.57 0.00 0.00 27.41 31.15 3hco h HIS 231 CO 0.58 0.33 -1.13 -0.07 -3.07 0.00 0.00 177.93 174.57 3hco h LEU 232 N 0.39 0.36 -0.11 6.12 3.38 -1.94 -0.59 115.31 122.92 3hco h LEU 232 Ca 0.10 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3hco h LEU 232 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3hco h LEU 232 CO -0.01 1.25 -0.01 0.25 0.09 0.00 0.00 178.44 180.01 3hco h LEU 233 N 0.09 -0.07 -0.58 1.67 5.85 -1.60 -0.02 115.31 120.64 3hco h LEU 233 Ca -0.10 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3hco h LEU 233 Cb 1.84 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.89 3hco h LEU 233 CO 0.18 -0.02 0.35 0.40 -0.34 0.00 0.00 178.44 179.01 3hco h ILE 234 N 0.02 1.06 -0.84 4.05 1.08 -1.25 -1.39 117.51 120.24 3hco h ILE 234 Ca 0.05 -0.24 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3hco h ILE 234 Cb 0.07 0.30 -0.06 0.00 -3.07 0.00 0.00 36.82 34.07 3hco h ILE 234 CO -0.10 0.13 0.53 -0.61 -0.69 0.00 0.00 178.15 177.41 3hco h GLN 235 N 0.70 0.98 -0.08 2.37 4.15 -0.79 -1.00 115.11 121.44 3hco h GLN 235 Ca 0.24 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3hco h GLN 235 Cb 0.03 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 3hco h GLN 235 CO -0.10 0.65 0.05 0.00 -1.93 0.00 0.00 178.83 177.50 3hco h PHE 237 N 0.09 0.62 -0.48 0.00 0.05 -1.00 -0.96 116.94 115.26 3hco h PHE 237 Ca 0.03 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.79 3hco h PHE 237 Cb 0.01 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 37.75 3hco h PHE 237 CO -0.07 0.32 0.09 0.00 -0.18 0.00 0.00 178.31 178.47 3hco h ALA 238 N 1.30 0.63 -0.19 2.45 0.00 -1.00 -0.59 119.26 121.85 3hco h ALA 238 Ca 0.26 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hco h ALA 238 Cb 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hco h ALA 238 CO -0.15 0.34 -0.04 -0.44 0.00 0.00 0.00 179.25 178.97 3hco h ASP 239 N 0.66 -0.16 -0.18 0.00 3.45 -0.68 -1.45 116.42 118.07 3hco h ASP 239 Ca 0.15 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.61 3hco h ASP 239 Cb 0.36 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 3hco h ASP 239 CO 0.01 -0.05 -0.03 0.45 -1.57 0.00 0.00 179.24 178.05 3hco h HIS 240 N 0.01 0.48 -0.19 4.55 3.86 -0.96 -1.20 115.15 121.71 3hco h HIS 240 Ca 0.09 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3hco h HIS 240 Cb 0.14 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3hco h HIS 240 CO -0.20 0.50 -0.02 0.82 0.86 0.00 0.00 177.93 179.88 3hco h ILE 241 N 0.44 1.27 -0.45 2.45 2.04 -0.80 -1.97 117.51 120.50 3hco h ILE 241 Ca 0.09 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3hco h ILE 241 Cb 0.34 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3hco h ILE 241 CO 0.01 0.29 0.26 -0.07 0.00 0.00 0.00 178.15 178.64 3hco h LEU 242 N 0.09 0.55 -0.80 1.44 3.38 -0.99 0.13 115.31 119.10 3hco h LEU 242 Ca 0.05 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3hco h LEU 242 Cb 0.44 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3hco h LEU 242 CO 0.01 0.46 0.48 0.50 0.09 0.00 0.00 178.44 179.98 3hco h LYS 243 N 0.59 0.83 -0.07 1.13 3.64 -1.21 -2.00 116.57 119.48 3hco h LYS 243 Ca 0.16 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.27 3hco h LYS 243 Cb 0.02 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3hco h LYS 243 CO -0.03 0.55 -0.86 1.49 -2.27 0.00 0.00 179.45 178.34 3hco h GLU 244 N 0.86 0.61 -0.92 1.90 4.57 -0.72 -3.07 114.58 117.81 3hco h GLU 244 Ca 0.36 -0.56 0.12 0.00 -1.18 0.00 0.00 59.36 58.10 3hco h GLU 244 Cb 0.22 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 3hco h GLU 244 CO -0.19 1.18 0.59 -0.07 -1.18 0.00 0.00 179.01 179.33 3hco h LEU 245 N 0.39 0.77 -2.57 1.64 3.38 -0.39 -1.17 115.31 117.37 3hco h LEU 245 Ca -0.07 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hco h LEU 245 Cb 1.48 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3hco h LEU 245 CO 0.16 0.42 0.12 0.44 0.09 0.00 0.00 178.44 179.68 3hco h ASP 246 N 0.84 0.00 1.14 -0.43 3.45 -1.27 -1.19 116.42 118.95 3hco h ASP 246 Ca 0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.91 3hco h ASP 246 Cb 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3hco h ASP 246 CO -0.21 0.00 -0.11 1.41 -1.57 0.00 0.00 179.24 178.76 3hco n HIS 247 N -3.17 0.45 -3.12 4.55 8.25 -0.44 -4.82 115.22 116.92 3hco n HIS 247 Ca -0.02 0.13 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 3hco n HIS 247 Cb 0.20 -0.68 -0.06 0.00 1.12 0.00 0.00 29.99 30.57 3hco n HIS 247 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hco s PHE 248 N -3.06 3.39 0.32 4.41 0.40 -0.45 -5.02 117.98 117.97 3hco s PHE 248 Ca 0.11 1.16 -0.29 0.00 -0.60 0.00 0.00 56.93 57.31 3hco s PHE 248 Cb 0.15 -2.49 -0.12 0.00 0.51 0.00 0.00 43.02 41.07 3hco s PHE 248 CO 0.59 0.08 1.54 -2.30 0.70 0.00 0.00 175.22 175.83 3hco n PRO 249 N -0.50 2.63 -0.10 0.24 -0.02 -1.26 -4.72 135.00 131.27 3hco n PRO 249 Ca 0.03 0.93 0.22 0.00 -2.02 0.00 0.00 63.50 62.66 3hco n PRO 249 Cb 0.53 -2.68 0.66 0.00 -0.02 0.00 0.00 33.50 31.99 3hco n PRO 249 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 3hco h LEU 250 N 4.15 0.09 -1.72 2.45 -0.00 -1.92 0.14 115.31 118.50 3hco h LEU 250 Ca -0.48 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.39 3hco h LEU 250 Cb 1.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 3hco h LEU 250 CO 0.74 0.04 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.79 3hco h GLU 251 N 0.10 0.00 0.00 0.17 3.07 -2.02 -3.13 114.58 112.76 3hco h GLU 251 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3hco h GLU 251 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3hco h GLU 251 CO -0.04 0.11 -1.70 1.63 -1.40 0.00 0.00 179.01 177.61 3hco n LYS 252 N -3.38 0.63 -0.27 2.33 4.76 0.42 -4.74 118.16 117.92 3hco n LYS 252 Ca -0.01 -0.14 0.07 0.00 -2.87 0.00 0.00 58.31 55.36 3hco n LYS 252 Cb 0.29 -1.42 0.19 0.00 -1.84 0.00 0.00 35.03 32.24 3hco n LYS 252 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3hco h ARG 253 N 0.00 0.15 0.00 1.97 2.43 -1.29 -0.23 114.38 117.41 3hco h ARG 253 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hco h ARG 253 Cb 0.78 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3hco h ARG 253 CO 0.00 0.10 0.00 0.66 -1.51 0.00 0.00 179.97 179.22 3hco h SER 254 N 0.15 0.00 0.58 -3.80 4.64 -1.85 -2.64 113.55 110.63 3hco h SER 254 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3hco h SER 254 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3hco h SER 254 CO -0.64 0.00 -0.57 1.21 -0.87 0.00 0.00 176.83 175.96 3hco n GLU 255 N -2.57 0.09 -2.11 4.77 4.07 -0.10 -4.71 120.64 120.08 3hco n GLU 255 Ca 0.01 0.02 -0.41 0.00 -0.06 0.00 0.00 57.16 56.72 3hco n GLU 255 Cb 0.26 -1.55 -0.02 0.00 -0.06 0.00 0.00 31.44 30.06 3hco n GLU 255 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3hco s VAL 256 N -3.05 2.87 -0.11 6.31 1.01 -1.00 -4.79 120.40 121.64 3hco s VAL 256 Ca 0.09 0.76 -0.21 0.00 0.00 0.00 0.00 61.98 62.62 3hco s VAL 256 Cb 0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3hco s VAL 256 CO 0.71 0.13 0.59 -0.69 0.00 0.00 0.00 175.10 175.85 3hco s VAL 257 N -0.26 5.11 -0.32 2.92 1.01 -0.79 -4.28 120.40 123.78 3hco s VAL 257 Ca 0.56 1.19 -0.18 0.00 0.00 0.00 0.00 61.98 63.55 3hco s VAL 257 Cb -0.39 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3hco s VAL 257 CO 0.44 0.27 0.53 -0.63 0.00 0.00 0.00 175.10 175.70 3hco s ILE 258 N 0.86 5.02 -0.44 2.22 1.01 -0.31 -0.16 121.20 129.39 3hco s ILE 258 Ca 0.31 0.54 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 3hco s ILE 258 Cb -0.16 -3.93 0.11 0.00 0.01 0.00 0.00 42.46 38.49 3hco s ILE 258 CO 0.14 -0.13 0.28 -0.76 0.00 0.00 0.00 174.94 174.47 3hco s LEU 259 N 2.41 5.50 0.05 2.97 1.43 0.83 -1.99 118.68 129.87 3hco s LEU 259 Ca 0.20 -1.94 -0.31 0.00 -1.03 0.00 0.00 54.13 51.05 3hco s LEU 259 Cb -0.15 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 3hco s LEU 259 CO 0.12 -0.63 1.28 -0.36 0.23 0.00 0.00 176.35 177.00 3hco s PHE 260 N 1.27 3.25 -0.19 0.29 0.40 -0.31 -0.82 117.98 121.88 3hco s PHE 260 Ca 0.07 1.12 0.01 0.00 -0.60 0.00 0.00 56.93 57.52 3hco s PHE 260 Cb -0.25 -3.53 0.04 0.00 0.51 0.00 0.00 43.02 39.79 3hco s PHE 260 CO -0.02 -1.77 -0.11 0.45 0.70 0.00 0.00 175.22 174.47 3hco s SER 261 N 1.28 3.21 0.11 1.36 0.15 0.11 -0.65 113.70 119.26 3hco s SER 261 Ca 0.61 -0.79 0.07 0.00 0.70 0.00 0.00 55.95 56.54 3hco s SER 261 Cb -0.31 -1.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 3hco s SER 261 CO 0.28 -0.13 -0.10 0.00 1.20 0.00 0.00 173.24 174.49 3hco s ALA 262 N 1.43 2.94 0.30 5.45 0.00 -1.01 -2.95 121.76 127.92 3hco s ALA 262 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 3hco s ALA 262 Cb -0.15 -0.87 -0.11 0.00 0.00 0.00 0.00 23.12 21.98 3hco s ALA 262 CO -0.09 0.63 1.61 -1.01 0.00 0.00 0.00 175.76 176.90 3hco s HIS 263 N -1.25 2.73 0.97 0.00 3.76 -1.26 -0.22 115.29 120.02 3hco s HIS 263 Ca 0.21 0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 55.76 3hco s HIS 263 Cb -0.11 -4.09 0.17 0.00 1.11 0.00 0.00 32.58 29.66 3hco s HIS 263 CO 0.14 -3.68 1.09 0.45 -0.85 0.00 0.00 174.74 171.89 3hco s SER 264 N 0.50 2.88 0.12 1.40 0.15 -1.14 -4.72 113.70 112.88 3hco s SER 264 Ca 0.64 1.35 0.10 0.00 0.70 0.00 0.00 55.95 58.74 3hco s SER 264 Cb -0.48 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 3hco s SER 264 CO 0.48 -2.99 -0.26 -0.76 1.20 0.00 0.00 173.24 170.91 3hco s LEU 265 N -6.41 2.35 0.41 3.45 1.43 -1.26 -4.97 118.68 113.69 3hco s LEU 265 Ca 0.65 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.78 3hco s LEU 265 Cb -0.19 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.66 3hco s LEU 265 CO 0.58 0.19 1.37 -2.65 0.23 0.00 0.00 176.35 176.07 3hco n PRO 266 N 1.01 2.23 -0.03 1.29 -0.02 -1.26 -0.80 135.00 137.42 3hco n PRO 266 Ca -0.18 0.79 0.22 0.00 -2.02 0.00 0.00 63.50 62.31 3hco n PRO 266 Cb 0.53 -2.51 0.70 0.00 -0.02 0.00 0.00 33.50 32.19 3hco n PRO 266 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3hco h MET 267 N 2.42 0.00 0.00 -0.52 2.86 -0.97 0.37 114.93 119.09 3hco h MET 267 Ca -0.49 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.11 3hco h MET 267 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 3hco h MET 267 CO 0.62 0.00 -0.20 0.66 1.06 0.00 0.00 176.91 179.05 3hco h SER 268 N 0.00 0.00 0.13 1.22 4.64 -1.90 0.13 113.55 117.76 3hco h SER 268 Ca 0.28 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.31 3hco h SER 268 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3hco h SER 268 CO -0.00 0.20 -1.47 0.58 -0.87 0.00 0.00 176.83 175.27 3hco h VAL 269 N 0.00 1.01 -0.20 0.95 2.07 -1.31 -3.00 116.25 115.77 3hco h VAL 269 Ca -0.00 -2.42 0.05 0.00 0.82 0.00 0.00 66.70 65.15 3hco h VAL 269 Cb 0.41 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.84 3hco h VAL 269 CO 0.03 0.73 -0.17 0.58 0.02 0.00 0.00 177.57 178.76 3hco h VAL 270 N -0.24 0.54 0.00 2.57 2.07 -1.21 -2.59 116.25 117.40 3hco h VAL 270 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3hco h VAL 270 Cb 1.81 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3hco h VAL 270 CO 0.08 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.26 3hco n ASN 271 N -5.32 0.58 -0.09 0.57 3.02 0.43 -1.77 115.26 112.69 3hco n ASN 271 Ca -0.02 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.33 3hco n ASN 271 Cb 0.23 -0.78 0.38 0.00 -0.61 0.00 0.00 39.78 39.01 3hco n ASN 271 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hco n ARG 272 N -2.17 0.35 0.00 3.52 1.85 -0.99 -4.90 116.66 114.33 3hco n ARG 272 Ca 0.02 -0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 3hco n ARG 272 Cb 0.19 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 3hco n ARG 272 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hco n GLY 273 N 1.42 1.62 3.71 2.89 0.00 -0.73 -1.54 105.19 112.55 3hco n GLY 273 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3hco n GLY 273 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hco n ASP 274 N 0.00 3.64 0.13 1.61 2.03 -1.15 -4.73 116.55 118.08 3hco n ASP 274 Ca 0.00 1.09 0.12 0.00 0.52 0.00 0.00 54.79 56.52 3hco n ASP 274 Cb 0.00 -1.53 0.49 0.00 -0.72 0.00 0.00 41.12 39.36 3hco n ASP 274 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hco n PRO 275 N 3.31 0.19 0.15 -0.67 -0.02 -1.26 -4.36 135.00 132.33 3hco n PRO 275 Ca 0.14 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.91 3hco n PRO 275 Cb 0.33 -1.86 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 3hco n PRO 275 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3hco h TYR 276 N 0.00 -0.48 -0.98 6.00 3.20 -1.66 -2.53 116.97 120.51 3hco h TYR 276 Ca 0.00 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3hco h TYR 276 Cb 0.36 0.19 -0.09 0.00 1.54 0.00 0.00 36.73 38.73 3hco h TYR 276 CO 0.00 -0.28 0.60 -1.35 -1.64 0.00 0.00 178.16 175.49 3hco h PRO 277 N -0.42 0.88 -0.21 1.82 0.11 -1.88 0.11 132.00 132.42 3hco h PRO 277 Ca -0.01 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.89 3hco h PRO 277 Cb 0.38 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3hco h PRO 277 CO -0.03 0.58 -0.54 0.37 -0.21 0.00 0.00 178.00 178.17 3hco h GLN 278 N 0.91 0.61 -0.08 1.05 -0.00 -1.83 -1.70 115.11 114.06 3hco h GLN 278 Ca 0.51 -0.38 -0.24 0.00 -0.00 0.00 0.00 58.65 58.53 3hco h GLN 278 Cb 0.58 0.04 0.02 0.00 0.00 0.00 0.00 27.48 28.12 3hco h GLN 278 CO -0.30 1.00 -0.90 0.93 0.00 0.00 0.00 178.83 179.56 3hco h GLU 279 N 0.47 0.75 -0.66 1.69 5.08 -0.87 -2.17 114.58 118.87 3hco h GLU 279 Ca 0.01 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 3hco h GLU 279 Cb 1.10 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 3hco h GLU 279 CO 0.11 1.29 0.42 0.28 -1.00 0.00 0.00 179.01 180.10 3hco h VAL 280 N 0.47 1.18 -0.92 3.13 2.07 -0.77 -1.77 116.25 119.64 3hco h VAL 280 Ca -0.09 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.15 3hco h VAL 280 Cb 1.54 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 3hco h VAL 280 CO 0.18 0.18 0.57 0.28 0.02 0.00 0.00 177.57 178.80 3hco h SER 281 N 0.89 0.88 -0.46 0.57 0.02 -1.21 -1.16 113.55 113.09 3hco h SER 281 Ca 0.24 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3hco h SER 281 Cb -0.07 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3hco h SER 281 CO -0.05 0.53 0.22 0.00 -1.14 0.00 0.00 176.83 176.40 3hco h ALA 282 N 1.45 0.59 -0.40 3.77 0.00 -0.80 -2.09 119.26 121.79 3hco h ALA 282 Ca 0.42 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.26 3hco h ALA 282 Cb 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3hco h ALA 282 CO -0.21 0.16 0.14 1.15 0.00 0.00 0.00 179.25 180.49 3hco h THR 283 N 0.60 0.87 -0.55 0.00 2.02 -0.82 -1.55 112.91 113.48 3hco h THR 283 Ca 0.16 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.30 3hco h THR 283 Cb 0.12 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 3hco h THR 283 CO -0.02 0.05 0.26 0.58 0.37 0.00 0.00 175.52 176.76 3hco h VAL 284 N 0.30 0.90 -0.39 3.16 2.07 -1.07 -1.58 116.25 119.64 3hco h VAL 284 Ca 0.19 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 3hco h VAL 284 Cb 0.17 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3hco h VAL 284 CO -0.19 0.09 -0.24 -0.61 0.02 0.00 0.00 177.57 176.63 3hco h GLN 285 N 0.49 0.85 -0.81 1.57 5.75 -0.93 -0.95 115.11 121.08 3hco h GLN 285 Ca 0.26 -0.40 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 3hco h GLN 285 Cb 0.22 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 3hco h GLN 285 CO -0.21 1.04 0.35 0.87 -2.65 0.00 0.00 178.83 178.23 3hco h LYS 286 N 0.66 1.18 -0.20 1.69 1.79 -1.01 0.62 116.57 121.30 3hco h LYS 286 Ca 0.08 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3hco h LYS 286 Cb 0.81 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 3hco h LYS 286 CO 0.07 0.94 0.13 0.28 -1.08 0.00 0.00 179.45 179.78 3hco h VAL 287 N 1.16 1.07 -0.27 0.50 2.07 -1.08 -1.56 116.25 118.14 3hco h VAL 287 Ca 0.27 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 3hco h VAL 287 Cb 0.17 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3hco h VAL 287 CO -0.03 0.06 -0.28 0.24 0.02 0.00 0.00 177.57 177.58 3hco h MET 288 N 0.26 0.54 -0.23 1.57 2.86 -0.81 -0.92 114.93 118.20 3hco h MET 288 Ca 0.07 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3hco h MET 288 Cb -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3hco h MET 288 CO -0.01 0.77 0.11 0.93 1.06 0.00 0.00 176.91 179.77 3hco h GLU 289 N 0.47 0.23 -0.74 1.72 5.08 -0.82 -0.12 114.58 120.39 3hco h GLU 289 Ca 0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3hco h GLU 289 Cb 0.74 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3hco h GLU 289 CO 0.06 0.15 0.28 -0.09 -1.00 0.00 0.00 179.01 178.41 3hco h ARG 290 N 0.24 1.12 0.00 2.33 9.65 -0.89 -1.41 114.38 125.42 3hco h ARG 290 Ca 0.10 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3hco h ARG 290 Cb 0.03 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 3hco h ARG 290 CO -0.07 0.92 0.00 1.28 2.80 0.00 0.00 179.97 184.90 3hco n LEU 291 N -4.27 0.00 -3.33 3.80 4.77 -0.38 -4.89 117.00 112.70 3hco n LEU 291 Ca 0.07 0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 3hco n LEU 291 Cb 0.20 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3hco n LEU 291 CO 0.41 -0.00 0.02 -0.62 -1.33 0.00 0.00 177.39 175.86 3hco n GLU 292 N -1.01 -4.66 -3.96 3.23 1.02 -0.53 -2.47 120.64 112.26 3hco n GLU 292 Ca 0.17 0.69 -0.29 0.00 -0.02 0.00 0.00 57.16 57.71 3hco n GLU 292 Cb 0.08 -5.52 0.00 0.00 -0.02 0.00 0.00 31.44 25.99 3hco n GLU 292 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hco n TYR 293 N -4.36 -1.96 0.19 -0.32 4.01 -0.14 -4.85 117.16 109.72 3hco n TYR 293 Ca -0.04 0.84 0.06 0.00 -0.16 0.00 0.00 57.90 58.59 3hco n TYR 293 Cb 0.57 -3.75 0.36 0.00 -0.31 0.00 0.00 39.34 36.21 3hco n TYR 293 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hco s ASN 295 N -6.43 1.53 0.56 0.00 -0.87 -1.26 -4.90 114.94 103.57 3hco s ASN 295 Ca -0.00 -0.85 -0.16 0.00 -1.57 0.00 0.00 52.86 50.27 3hco s ASN 295 Cb 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 41.25 41.29 3hco s ASN 295 CO 0.68 -0.27 1.03 -2.16 -2.57 0.00 0.00 177.10 173.81 3hco s PRO 296 N -2.98 3.58 0.08 -0.60 0.04 -1.26 -4.89 135.00 128.98 3hco s PRO 296 Ca 0.08 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 3hco s PRO 296 Cb -0.02 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3hco s PRO 296 CO 0.00 -0.59 0.03 1.52 0.04 0.00 0.00 177.00 178.01 3hco s TYR 297 N -2.49 0.56 0.00 0.56 -0.85 -1.26 -1.17 117.35 112.70 3hco s TYR 297 Ca 0.62 -1.04 -0.03 0.00 -0.52 0.00 0.00 57.07 56.10 3hco s TYR 297 Cb -0.14 -0.36 -0.01 0.00 0.38 0.00 0.00 41.96 41.84 3hco s TYR 297 CO 0.34 -0.45 0.06 1.03 -1.52 0.00 0.00 175.55 175.00 3hco s ARG 298 N -3.95 0.33 -0.26 -3.49 1.81 -0.84 -4.97 118.95 107.58 3hco s ARG 298 Ca 0.12 -0.37 -0.17 0.00 -1.72 0.00 0.00 55.73 53.58 3hco s ARG 298 Cb 0.07 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 3hco s ARG 298 CO -0.07 -0.07 0.48 -1.17 -0.68 0.00 0.00 175.30 173.80 3hco s LEU 299 N -1.10 4.05 0.41 2.53 2.96 -1.26 -1.16 118.68 125.11 3hco s LEU 299 Ca -0.12 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3hco s LEU 299 Cb -0.07 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 3hco s LEU 299 CO 0.00 -0.26 0.10 0.68 -1.32 0.00 0.00 176.35 175.55 3hco s VAL 300 N 2.22 0.81 -0.03 1.68 -7.23 0.17 -4.74 120.40 113.28 3hco s VAL 300 Ca 0.20 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 3hco s VAL 300 Cb -0.16 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.39 3hco s VAL 300 CO 0.09 0.00 -0.02 0.26 -0.31 0.00 0.00 175.10 175.12 3hco s TRP 301 N -3.18 0.47 -0.62 2.82 0.52 -0.19 -2.40 118.94 116.37 3hco s TRP 301 Ca 0.24 -0.08 -0.27 0.00 0.02 0.00 0.00 56.10 56.00 3hco s TRP 301 Cb 0.04 -0.46 -0.11 0.00 -1.15 0.00 0.00 33.47 31.79 3hco s TRP 301 CO 0.13 -0.12 2.49 1.04 0.02 0.00 0.00 176.95 180.51 3hco n GLN 302 N 3.87 0.77 0.00 4.98 6.02 0.70 -1.45 117.38 132.27 3hco n GLN 302 Ca -0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 3hco n GLN 302 Cb 0.52 -2.96 0.00 0.00 1.02 0.00 0.00 30.24 28.82 3hco n GLN 302 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hco n SER 303 N 14.62 0.00 0.00 1.08 3.41 -1.26 -2.90 113.62 128.57 3hco n SER 303 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3hco n SER 303 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3hco n SER 303 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3hco n LYS 304 N 0.00 0.00 -4.51 4.33 0.00 -1.26 -4.79 118.16 111.93 3hco n LYS 304 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 3hco n LYS 304 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 34.88 3hco n LYS 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3hco s VAL 305 N -1.43 2.84 0.00 0.58 -7.23 -1.26 -5.09 120.40 108.81 3hco s VAL 305 Ca 0.00 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3hco s VAL 305 Cb 0.00 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3hco s VAL 305 CO 0.00 0.51 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 3hco n GLY 306 N 4.01 -1.93 0.09 2.32 0.00 -1.26 -4.75 105.19 103.68 3hco n GLY 306 Ca -0.19 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 3hco n GLY 306 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hco h PRO 307 N 0.00 0.00 -7.29 1.61 0.13 -2.03 -3.48 132.00 120.94 3hco h PRO 307 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3hco h PRO 307 Cb 0.00 0.00 0.17 0.00 0.13 0.00 0.00 31.00 31.30 3hco h PRO 307 CO 0.00 0.46 0.25 -1.64 -0.23 0.00 0.00 178.00 176.84 3hco s MET 308 N -2.81 1.41 0.11 0.86 -1.94 -1.26 -4.96 119.30 110.72 3hco s MET 308 Ca -0.02 1.31 -0.30 0.00 -1.71 0.00 0.00 55.69 54.97 3hco s MET 308 Cb 0.08 -1.79 -0.06 0.00 2.01 0.00 0.00 34.83 35.07 3hco s MET 308 CO 0.81 -2.28 1.16 -2.14 -0.01 0.00 0.00 175.02 172.56 3hco s PRO 309 N -4.76 4.49 0.30 2.03 0.02 -1.26 -4.98 135.00 130.84 3hco s PRO 309 Ca 0.64 1.76 0.09 0.00 0.02 0.00 0.00 61.00 63.52 3hco s PRO 309 Cb -0.20 -3.31 -0.06 0.00 0.02 0.00 0.00 34.50 30.95 3hco s PRO 309 CO 0.57 -0.13 -0.12 -1.58 -0.33 0.00 0.00 177.00 175.42 3hco s TRP 310 N 0.50 2.19 0.11 6.54 0.52 -1.26 -0.34 118.94 127.20 3hco s TRP 310 Ca 0.55 -0.52 -0.31 0.00 0.02 0.00 0.00 56.10 55.84 3hco s TRP 310 Cb -0.30 -1.16 -0.08 0.00 -1.15 0.00 0.00 33.47 30.79 3hco s TRP 310 CO 0.32 0.52 1.35 -1.17 0.02 0.00 0.00 176.95 177.99 3hco s LEU 311 N -3.51 4.37 0.00 2.99 2.96 0.02 -4.71 118.68 120.80 3hco s LEU 311 Ca 0.30 2.28 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 3hco s LEU 311 Cb 0.01 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.12 3hco s LEU 311 CO 0.14 -0.61 0.08 0.61 -1.32 0.00 0.00 176.35 175.24 3hco n GLY 312 N 3.35 3.51 3.77 7.98 0.00 -1.26 -4.70 105.19 117.84 3hco n GLY 312 Ca 0.11 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 3hco n GLY 312 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hco s PRO 313 N -2.94 2.94 0.25 1.61 0.04 -1.26 -4.85 135.00 130.79 3hco s PRO 313 Ca 0.06 1.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 3hco s PRO 313 Cb -0.00 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3hco s PRO 313 CO 0.04 -1.16 0.86 -1.14 0.04 0.00 0.00 177.00 175.63 3hco s GLN 314 N -3.81 4.57 0.14 4.56 0.74 -1.26 -1.02 119.66 123.58 3hco s GLN 314 Ca 0.69 1.22 -0.21 0.00 0.05 0.00 0.00 55.36 57.12 3hco s GLN 314 Cb -0.22 -3.02 0.02 0.00 1.10 0.00 0.00 33.01 30.88 3hco s GLN 314 CO 0.37 0.42 1.66 1.15 -0.55 0.00 0.00 175.29 178.34 3hco h THR 315 N 2.91 0.58 0.16 -0.34 2.02 -1.58 -0.52 112.91 116.14 3hco h THR 315 Ca -0.47 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3hco h THR 315 Cb 1.20 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3hco h THR 315 CO 0.66 0.00 -0.29 0.44 0.37 0.00 0.00 175.52 176.70 3hco h ASP 316 N -0.13 -0.81 -0.30 4.18 3.32 -1.94 -0.63 116.42 120.12 3hco h ASP 316 Ca 0.13 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hco h ASP 316 Cb 0.33 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3hco h ASP 316 CO -0.31 -0.39 0.17 1.05 -1.72 0.00 0.00 179.24 178.04 3hco h GLU 317 N -0.53 0.44 -0.09 3.56 4.11 -1.92 -1.39 114.58 118.77 3hco h GLU 317 Ca 0.02 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.22 3hco h GLU 317 Cb 0.54 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3hco h GLU 317 CO -0.14 0.34 -0.74 0.77 0.07 0.00 0.00 179.01 179.31 3hco h SER 318 N 0.45 0.54 -0.29 3.06 0.02 -0.69 0.29 113.55 116.94 3hco h SER 318 Ca 0.12 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3hco h SER 318 Cb 0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3hco h SER 318 CO -0.02 1.11 0.08 0.40 -1.14 0.00 0.00 176.83 177.26 3hco h ILE 319 N 0.31 1.21 -0.27 3.27 2.04 -0.40 -0.26 117.51 123.41 3hco h ILE 319 Ca -0.03 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3hco h ILE 319 Cb 1.32 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3hco h ILE 319 CO 0.13 0.22 0.17 0.50 0.00 0.00 0.00 178.15 179.18 3hco h LYS 320 N 0.31 0.35 -0.49 2.37 3.64 -1.19 -1.83 116.57 119.72 3hco h LYS 320 Ca 0.09 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3hco h LYS 320 Cb 0.26 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3hco h LYS 320 CO -0.00 0.24 0.08 0.78 -2.27 0.00 0.00 179.45 178.28 3hco h GLY 321 N 0.35 0.89 0.94 5.01 0.00 -0.84 -0.61 103.07 108.81 3hco h GLY 321 Ca 0.10 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.85 3hco h GLY 321 CO -0.02 0.55 0.26 1.41 0.00 0.00 0.00 176.54 178.74 3hco h LEU 322 N 0.70 0.43 -0.71 3.11 3.38 -0.93 -1.55 115.31 119.73 3hco h LEU 322 Ca 0.15 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3hco h LEU 322 Cb 0.40 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3hco h LEU 322 CO 0.01 0.31 0.29 0.00 0.09 0.00 0.00 178.44 179.14 3hco h GLU 324 N 1.01 0.00 -0.31 0.00 5.08 -0.80 -2.06 114.58 117.49 3hco h GLU 324 Ca 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3hco h GLU 324 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3hco h GLU 324 CO -0.02 0.00 0.01 0.54 -1.00 0.00 0.00 179.01 178.54 3hco n ARG 325 N -2.64 2.87 -0.20 2.33 1.74 -0.61 -4.95 116.66 115.19 3hco n ARG 325 Ca -0.00 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 3hco n ARG 325 Cb 0.18 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3hco n ARG 325 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hco n GLY 326 N -0.55 0.63 3.48 -0.13 0.00 -0.77 -5.01 105.19 102.83 3hco n GLY 326 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 3hco n GLY 326 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hco s ARG 327 N -0.77 3.22 0.00 1.61 1.81 0.01 -4.90 118.95 119.94 3hco s ARG 327 Ca 0.00 -0.57 0.22 0.00 -1.72 0.00 0.00 55.73 53.66 3hco s ARG 327 Cb 0.00 -4.12 -0.07 0.00 -0.45 0.00 0.00 34.95 30.31 3hco s ARG 327 CO 0.00 -1.56 1.04 1.63 -0.68 0.00 0.00 175.30 175.73 3hco n LYS 328 N 7.33 0.82 -3.96 3.54 5.02 -1.26 -3.55 118.16 126.10 3hco n LYS 328 Ca -0.02 -0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 55.31 3hco n LYS 328 Cb 0.46 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 3hco n LYS 328 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hco s ASN 329 N -2.65 2.56 -0.03 4.39 0.01 -1.26 -0.32 114.94 117.64 3hco s ASN 329 Ca 0.15 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.85 3hco s ASN 329 Cb 0.17 -1.01 0.01 0.00 0.41 0.00 0.00 41.25 40.83 3hco s ASN 329 CO 0.67 -0.11 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.45 3hco s ILE 330 N 1.59 0.66 -0.26 0.60 1.01 0.14 -1.89 121.20 123.06 3hco s ILE 330 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 3hco s ILE 330 Cb -0.13 -0.61 0.03 0.00 0.01 0.00 0.00 42.46 41.75 3hco s ILE 330 CO -0.09 0.22 -0.05 -0.22 0.00 0.00 0.00 174.94 174.80 3hco s LEU 331 N 0.37 3.33 -0.03 2.97 2.96 0.77 -1.60 118.68 127.45 3hco s LEU 331 Ca -0.05 -0.96 -0.24 0.00 -0.22 0.00 0.00 54.13 52.66 3hco s LEU 331 Cb -0.10 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3hco s LEU 331 CO 0.00 -0.15 0.73 -0.76 -1.32 0.00 0.00 176.35 174.85 3hco s LEU 332 N 1.31 4.36 -0.21 -0.68 1.43 0.24 -0.12 118.68 125.00 3hco s LEU 332 Ca -0.01 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 3hco s LEU 332 Cb -0.17 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 42.94 3hco s LEU 332 CO -0.04 -0.08 -0.16 -0.69 0.23 0.00 0.00 176.35 175.62 3hco s VAL 333 N 0.54 2.07 -1.00 -1.59 1.01 0.00 -0.86 120.40 120.57 3hco s VAL 333 Ca 0.38 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 3hco s VAL 333 Cb -0.19 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3hco s VAL 333 CO 0.20 0.29 1.78 -2.16 0.00 0.00 0.00 175.10 175.20 3hco s PRO 334 N 1.22 2.97 0.00 2.72 0.04 -1.26 -0.72 135.00 139.97 3hco s PRO 334 Ca -0.01 -0.77 0.27 0.00 0.04 0.00 0.00 61.00 60.53 3hco s PRO 334 Cb -0.16 -5.21 0.90 0.00 0.04 0.00 0.00 34.50 30.07 3hco s PRO 334 CO -0.09 -3.01 1.69 1.51 0.04 0.00 0.00 177.00 177.13 3hco n ILE 335 N 7.46 0.00 -0.64 0.56 0.13 -1.15 -4.09 119.36 121.63 3hco n ILE 335 Ca 0.39 -0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.04 3hco n ILE 335 Cb 0.48 -0.13 0.00 0.00 -0.84 0.00 0.00 39.64 39.15 3hco n ILE 335 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hco n ALA 336 N -1.47 1.27 -3.67 1.51 0.00 -1.26 -5.00 120.51 111.90 3hco n ALA 336 Ca 0.07 -0.58 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 3hco n ALA 336 Cb 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 3hco n ALA 336 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hco s PHE 337 N -0.29 -0.75 -2.52 0.00 5.36 -1.26 -4.77 117.98 113.75 3hco s PHE 337 Ca 0.00 1.47 0.24 0.00 -0.96 0.00 0.00 56.93 57.68 3hco s PHE 337 Cb 0.00 0.29 0.61 0.00 -0.34 0.00 0.00 43.02 43.59 3hco s PHE 337 CO 0.00 -0.45 1.49 0.25 -1.46 0.00 0.00 175.22 175.05 3hco n THR 338 N 5.15 0.20 -4.43 0.12 -2.24 -1.26 -4.84 114.28 106.98 3hco n THR 338 Ca -0.12 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 60.95 3hco n THR 338 Cb 0.51 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 3hco n THR 338 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hco s SER 339 N -1.72 3.64 0.27 3.42 0.01 -1.26 -1.51 113.70 116.54 3hco s SER 339 Ca 0.34 -0.91 -0.29 0.00 1.31 0.00 0.00 55.95 56.40 3hco s SER 339 Cb 0.20 -0.35 -0.14 0.00 0.21 0.00 0.00 66.02 65.94 3hco s SER 339 CO 0.30 0.07 1.16 0.47 0.41 0.00 0.00 173.24 175.65 3hco n ASP 340 N -0.25 1.83 -2.78 2.44 9.92 -1.26 -4.98 116.55 121.47 3hco n ASP 340 Ca -0.08 1.17 -0.13 0.00 -0.53 0.00 0.00 54.79 55.22 3hco n ASP 340 Cb 0.58 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.70 3hco n ASP 340 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hco n HIS 341 N 0.78 -1.39 -1.98 1.24 1.44 -1.26 -4.72 115.22 109.33 3hco n HIS 341 Ca 0.10 -2.08 -0.41 0.00 -2.01 0.00 0.00 57.72 53.32 3hco n HIS 341 Cb 0.31 0.51 -0.02 0.00 0.12 0.00 0.00 29.99 30.92 3hco n HIS 341 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hco s ILE 342 N -2.74 2.49 0.76 0.61 1.01 -1.26 -5.00 121.20 117.06 3hco s ILE 342 Ca 0.25 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.34 3hco s ILE 342 Cb -0.01 -3.29 0.15 0.00 0.01 0.00 0.00 42.46 39.32 3hco s ILE 342 CO 0.18 0.09 1.04 -1.61 0.00 0.00 0.00 174.94 174.65 3hco s GLU 343 N -1.31 1.48 0.54 2.79 2.02 -1.26 -5.10 118.70 117.87 3hco s GLU 343 Ca 0.54 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 54.39 3hco s GLU 343 Cb -0.43 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.55 3hco s GLU 343 CO 0.52 -1.61 0.76 0.95 0.02 0.00 0.00 175.26 175.90 3hco s THR 344 N -3.23 2.67 0.24 3.63 -4.23 -1.26 -4.90 115.64 108.56 3hco s THR 344 Ca 0.68 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 3hco s THR 344 Cb -0.04 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 71.05 3hco s THR 344 CO 0.46 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.62 3hco h LEU 345 N 0.12 0.74 -0.35 4.79 5.85 -1.98 -0.88 115.31 123.60 3hco h LEU 345 Ca -0.41 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3hco h LEU 345 Cb 1.29 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hco h LEU 345 CO 0.50 0.45 0.00 1.88 -0.34 0.00 0.00 178.44 180.94 3hco h TYR 346 N 0.86 0.00 0.03 1.25 -1.99 -1.94 -0.25 116.97 114.93 3hco h TYR 346 Ca 0.37 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.86 3hco h TYR 346 Cb 0.24 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 3hco h TYR 346 CO -0.05 0.00 -1.17 0.93 -0.00 0.00 0.00 178.16 177.87 3hco h GLU 347 N 0.00 0.07 0.00 4.88 5.08 -1.72 -3.42 114.58 119.47 3hco h GLU 347 Ca 0.00 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 3hco h GLU 347 Cb 0.76 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 3hco h GLU 347 CO 0.00 0.98 -2.00 1.28 -1.00 0.00 0.00 179.01 178.27 3hco n LEU 348 N -3.35 0.00 -4.38 1.33 4.77 -0.42 -4.95 117.00 110.00 3hco n LEU 348 Ca -0.05 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.56 3hco n LEU 348 Cb 0.98 0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 42.18 3hco n LEU 348 CO 0.48 0.24 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.89 3hco s ASP 349 N -4.63 5.19 0.18 -1.43 -1.08 -0.13 -4.96 116.67 109.81 3hco s ASP 349 Ca -0.08 -0.58 -0.06 0.00 -0.52 0.00 0.00 52.55 51.32 3hco s ASP 349 Cb 0.08 -1.91 0.08 0.00 -1.46 0.00 0.00 42.92 39.71 3hco s ASP 349 CO 0.71 -0.16 1.52 0.40 0.52 0.00 0.00 175.17 178.16 3hco h ILE 350 N 5.76 1.29 -0.03 4.11 1.08 -1.92 -1.06 117.51 126.74 3hco h ILE 350 Ca -0.33 -1.61 -0.00 0.00 -0.39 0.00 0.00 64.86 62.53 3hco h ILE 350 Cb 1.14 1.52 -0.00 0.00 -3.07 0.00 0.00 36.82 36.41 3hco h ILE 350 CO 0.60 0.52 0.02 -0.33 -0.69 0.00 0.00 178.15 178.27 3hco h GLU 351 N 0.59 0.04 -0.11 2.37 4.39 -1.97 -1.67 114.58 118.23 3hco h GLU 351 Ca 0.04 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3hco h GLU 351 Cb 0.98 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3hco h GLU 351 CO 0.09 0.07 0.05 1.88 -1.16 0.00 0.00 179.01 179.93 3hco h TYR 352 N 0.01 0.16 -0.13 4.33 0.05 -1.88 -2.10 116.97 117.41 3hco h TYR 352 Ca 0.01 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3hco h TYR 352 Cb 0.03 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3hco h TYR 352 CO -0.06 0.25 -0.01 0.66 -1.05 0.00 0.00 178.16 177.95 3hco h SER 353 N 0.02 0.17 0.03 3.88 4.64 -1.15 -1.67 113.55 119.47 3hco h SER 353 Ca 0.04 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hco h SER 353 Cb 0.15 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hco h SER 353 CO -0.00 0.21 -0.02 1.56 -0.87 0.00 0.00 176.83 177.71 3hco h GLN 354 N 0.18 -0.04 -0.55 4.77 4.20 -1.12 -2.50 115.11 120.06 3hco h GLN 354 Ca 0.05 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.87 3hco h GLN 354 Cb 0.14 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.83 3hco h GLN 354 CO 0.00 0.43 -0.10 0.28 -0.67 0.00 0.00 178.83 178.77 3hco h VAL 355 N -0.54 0.48 0.16 -0.54 2.07 -1.05 -1.63 116.25 115.21 3hco h VAL 355 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hco h VAL 355 Cb 0.49 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3hco h VAL 355 CO 0.01 0.00 -0.17 0.25 0.02 0.00 0.00 177.57 177.68 3hco h LEU 356 N 0.02 -0.45 -1.98 2.57 5.85 -1.35 0.16 115.31 120.13 3hco h LEU 356 Ca 0.27 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3hco h LEU 356 Cb 0.41 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 3hco h LEU 356 CO -0.54 -0.25 -0.08 0.00 -0.34 0.00 0.00 178.44 177.23 3hco h ALA 357 N 0.43 1.69 0.00 1.25 0.00 -1.21 -1.04 119.26 120.37 3hco h ALA 357 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hco h ALA 357 Cb 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hco h ALA 357 CO -0.05 0.10 -0.14 0.87 0.00 0.00 0.00 179.25 180.03 3hco h LYS 358 N 0.00 0.00 -0.47 0.00 1.57 -1.05 -1.34 116.57 115.27 3hco h LYS 358 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3hco h LYS 358 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3hco h LYS 358 CO 0.01 0.93 -0.04 0.93 -0.57 0.00 0.00 179.45 180.71 3hco h GLU 359 N -1.00 0.86 0.00 3.15 5.08 -0.88 -3.37 114.58 118.42 3hco h GLU 359 Ca -0.04 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3hco h GLU 359 Cb 0.96 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3hco h GLU 359 CO -0.02 0.92 -0.02 0.00 -1.00 0.00 0.00 179.01 178.89 3hco n GLY 361 N -0.22 -0.37 3.76 0.00 0.00 -0.51 -4.86 105.19 102.99 3hco n GLY 361 Ca 0.00 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3hco n GLY 361 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hco n VAL 362 N -4.19 1.44 -0.10 1.61 3.14 -1.26 -4.88 118.33 114.10 3hco n VAL 362 Ca -0.25 -0.36 -0.15 0.00 -2.96 0.00 0.00 64.34 60.62 3hco n VAL 362 Cb 0.66 -1.99 -0.09 0.00 -1.06 0.00 0.00 33.84 31.36 3hco n VAL 362 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hco n GLU 363 N 1.42 0.51 -3.65 1.45 1.02 0.56 -4.75 120.64 117.20 3hco n GLU 363 Ca 0.05 0.13 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 3hco n GLU 363 Cb 0.38 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 3hco n GLU 363 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hco s ASN 364 N -6.09 -0.66 -0.20 1.62 -0.87 -0.82 -5.03 114.94 102.90 3hco s ASN 364 Ca -0.28 1.25 0.00 0.00 -1.57 0.00 0.00 52.86 52.27 3hco s ASN 364 Cb 0.08 1.79 0.02 0.00 -0.02 0.00 0.00 41.25 43.11 3hco s ASN 364 CO 0.46 -0.23 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.98 3hco s ILE 365 N 2.74 2.34 0.23 0.60 1.01 -1.26 -0.68 121.20 126.18 3hco s ILE 365 Ca -0.03 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.78 3hco s ILE 365 Cb -0.12 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 3hco s ILE 365 CO -0.16 0.45 -0.17 -0.13 0.00 0.00 0.00 174.94 174.93 3hco s ARG 366 N 1.31 1.46 -0.10 2.79 0.52 -0.63 -5.01 118.95 119.30 3hco s ARG 366 Ca 0.04 -1.64 0.02 0.00 -0.52 0.00 0.00 55.73 53.63 3hco s ARG 366 Cb -0.14 -1.40 0.01 0.00 0.52 0.00 0.00 34.95 33.95 3hco s ARG 366 CO -0.10 0.25 -0.15 0.50 0.02 0.00 0.00 175.30 175.82 3hco s ARG 367 N -3.50 2.16 0.64 3.54 3.52 -1.26 -0.59 118.95 123.46 3hco s ARG 367 Ca 0.25 -0.55 -0.18 0.00 -0.13 0.00 0.00 55.73 55.12 3hco s ARG 367 Cb -0.03 -1.80 -0.02 0.00 -1.56 0.00 0.00 34.95 31.54 3hco s ARG 367 CO 0.10 -0.02 1.17 0.00 -0.81 0.00 0.00 175.30 175.74 3hco n ALA 368 N 4.06 0.76 -1.77 6.12 0.00 -0.04 -4.93 120.51 124.70 3hco n ALA 368 Ca -0.20 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 3hco n ALA 368 Cb 0.51 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 3hco n ALA 368 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hco s GLU 369 N -3.18 4.00 0.49 0.00 2.12 -1.26 -4.73 118.70 116.14 3hco s GLU 369 Ca 0.80 1.80 -0.23 0.00 0.36 0.00 0.00 54.97 57.71 3hco s GLU 369 Cb -0.39 -2.61 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 3hco s GLU 369 CO 0.43 -0.35 1.25 -1.12 -0.54 0.00 0.00 175.26 174.92 3hco s SER 370 N -1.21 5.83 -0.03 -1.70 0.01 -1.26 -4.96 113.70 110.37 3hco s SER 370 Ca 0.58 2.50 -0.19 0.00 1.31 0.00 0.00 55.95 60.16 3hco s SER 370 Cb -0.30 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.20 3hco s SER 370 CO 0.37 -1.16 0.79 -0.07 0.41 0.00 0.00 173.24 173.58 3hco h LEU 371 N 1.86 -0.40 -8.15 2.44 3.38 -1.87 -3.44 115.31 109.13 3hco h LEU 371 Ca -0.50 -0.10 -0.79 0.00 0.09 0.00 0.00 57.88 56.58 3hco h LEU 371 Cb 1.27 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 3hco h LEU 371 CO 0.59 0.05 1.23 -3.20 0.09 0.00 0.00 178.44 177.20 3hco n ASN 372 N -5.10 0.83 0.00 -0.43 4.05 -0.57 -2.29 115.26 111.75 3hco n ASN 372 Ca -0.08 0.75 0.00 0.00 0.45 0.00 0.00 54.58 55.71 3hco n ASN 372 Cb 0.25 -0.90 0.00 0.00 1.23 0.00 0.00 39.78 40.36 3hco n ASN 372 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3hco n GLY 373 N 6.97 1.13 3.55 8.20 0.00 -1.26 -4.92 105.19 118.86 3hco n GLY 373 Ca 0.51 -0.22 -0.57 0.00 0.00 0.00 0.00 46.02 45.74 3hco n GLY 373 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hco n ASN 374 N 0.00 0.71 0.29 1.61 4.05 -0.97 -4.93 115.26 116.02 3hco n ASN 374 Ca 0.00 1.14 0.18 0.00 0.45 0.00 0.00 54.58 56.36 3hco n ASN 374 Cb 0.00 -1.02 0.81 0.00 1.23 0.00 0.00 39.78 40.80 3hco n ASN 374 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hco h PRO 375 N 3.79 0.00 0.00 1.20 0.13 -2.00 0.59 132.00 135.71 3hco h PRO 375 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 3hco h PRO 375 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 3hco h PRO 375 CO 0.72 0.01 -0.30 1.25 -0.23 0.00 0.00 178.00 179.45 3hco h LEU 376 N 0.00 0.00 -0.12 1.56 5.85 -1.97 0.58 115.31 121.21 3hco h LEU 376 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hco h LEU 376 Cb 0.39 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3hco h LEU 376 CO 0.00 0.30 0.01 0.15 -0.34 0.00 0.00 178.44 178.57 3hco h PHE 377 N 0.00 0.22 -0.96 1.25 -0.00 -1.22 0.40 116.94 116.62 3hco h PHE 377 Ca -0.00 -0.03 0.05 0.00 -0.00 0.00 0.00 57.97 57.98 3hco h PHE 377 Cb 0.82 -0.06 -0.06 0.00 -0.00 0.00 0.00 35.95 36.65 3hco h PHE 377 CO 0.00 0.42 0.62 0.77 -0.00 0.00 0.00 178.31 180.12 3hco h SER 378 N -0.04 1.02 -0.76 0.41 0.02 -1.28 -0.39 113.55 112.53 3hco h SER 378 Ca 0.04 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3hco h SER 378 Cb 0.32 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3hco h SER 378 CO 0.00 0.68 0.32 0.50 -1.14 0.00 0.00 176.83 177.20 3hco h LYS 379 N 1.17 1.13 -0.48 3.45 3.64 -0.76 -1.65 116.57 123.07 3hco h LYS 379 Ca 0.40 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3hco h LYS 379 Cb 0.07 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3hco h LYS 379 CO -0.14 0.90 0.26 0.00 -2.27 0.00 0.00 179.45 178.20 3hco h ALA 380 N 1.24 0.62 -0.40 5.00 0.00 0.14 -2.06 119.26 123.80 3hco h ALA 380 Ca 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3hco h ALA 380 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hco h ALA 380 CO -0.03 -0.07 0.06 -0.07 0.00 0.00 0.00 179.25 179.14 3hco h LEU 381 N 0.52 0.64 -0.54 0.00 3.38 -0.75 -1.36 115.31 117.20 3hco h LEU 381 Ca 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hco h LEU 381 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hco h LEU 381 CO -0.12 0.75 0.13 0.00 0.09 0.00 0.00 178.44 179.28 3hco h ALA 382 N 0.92 0.71 -0.74 1.53 0.00 -1.29 -1.94 119.26 118.44 3hco h ALA 382 Ca 0.12 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hco h ALA 382 Cb 0.38 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3hco h ALA 382 CO 0.01 0.41 0.45 0.22 0.00 0.00 0.00 179.25 180.34 3hco h ASP 383 N 0.76 0.70 -0.15 0.00 3.58 -1.15 0.10 116.42 120.27 3hco h ASP 383 Ca 0.17 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.64 3hco h ASP 383 Cb 0.34 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 3hco h ASP 383 CO 0.00 0.46 0.08 -0.07 -2.88 0.00 0.00 179.24 176.84 3hco h LEU 384 N 0.84 0.12 -0.28 2.28 3.38 -0.86 -1.07 115.31 119.72 3hco h LEU 384 Ca 0.32 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 3hco h LEU 384 Cb 0.12 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hco h LEU 384 CO -0.15 0.09 -0.27 0.58 0.09 0.00 0.00 178.44 178.78 3hco h VAL 385 N 0.17 1.30 0.04 1.22 2.07 -1.07 0.45 116.25 120.42 3hco h VAL 385 Ca 0.06 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.16 3hco h VAL 385 Cb 0.01 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3hco h VAL 385 CO -0.04 0.45 -0.10 -0.74 0.02 0.00 0.00 177.57 177.17 3hco h HIS 386 N 0.40 -0.25 -0.89 1.57 -0.00 -0.79 0.59 115.15 115.79 3hco h HIS 386 Ca 0.05 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 3hco h HIS 386 Cb 0.83 0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 28.29 3hco h HIS 386 CO 0.07 -0.15 0.57 0.77 -0.00 0.00 0.00 177.93 179.19 3hco h SER 387 N -0.19 0.92 -0.42 3.26 0.02 -1.11 0.02 113.55 116.04 3hco h SER 387 Ca 0.03 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3hco h SER 387 Cb 0.22 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3hco h SER 387 CO -0.07 0.61 0.20 -0.74 -1.14 0.00 0.00 176.83 175.68 3hco h HIS 388 N 1.06 0.37 -0.11 3.45 6.17 -0.40 -1.31 115.15 124.39 3hco h HIS 388 Ca 0.37 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.46 3hco h HIS 388 Cb 0.09 -0.10 -0.00 0.00 2.52 0.00 0.00 27.41 29.91 3hco h HIS 388 CO -0.02 0.18 0.03 0.82 0.71 0.00 0.00 177.93 179.65 3hco h ILE 389 N 0.41 1.18 -0.71 6.26 2.04 -0.23 -2.72 117.51 123.74 3hco h ILE 389 Ca 0.19 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.56 3hco h ILE 389 Cb 0.11 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3hco h ILE 389 CO -0.14 0.16 0.46 1.56 0.00 0.00 0.00 178.15 180.19 3hco h GLN 390 N -0.02 0.73 0.00 2.37 1.08 -0.83 -2.54 115.11 115.91 3hco h GLN 390 Ca 0.03 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3hco h GLN 390 Cb 0.22 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3hco h GLN 390 CO -0.00 0.48 -0.05 0.66 -0.95 0.00 0.00 178.83 178.98 3hco h SER 391 N 0.75 0.00 -0.82 1.46 4.64 -0.93 -3.47 113.55 115.19 3hco h SER 391 Ca 0.30 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.38 3hco h SER 391 Cb 0.22 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.22 3hco h SER 391 CO -0.10 0.05 -0.22 -3.20 -0.87 0.00 0.00 176.83 172.49 3hco n ASN 392 N -3.15 -4.63 -4.78 4.97 5.15 -0.96 -4.97 115.26 106.89 3hco n ASN 392 Ca 0.01 0.29 -0.35 0.00 -0.60 0.00 0.00 54.58 53.93 3hco n ASN 392 Cb 0.37 -3.72 -0.02 0.00 -0.53 0.00 0.00 39.78 35.88 3hco n ASN 392 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3hco s GLU 393 N -2.88 3.74 0.07 1.20 -1.05 -1.25 -4.96 118.70 113.56 3hco s GLU 393 Ca 0.00 1.55 0.21 0.00 -0.15 0.00 0.00 54.97 56.59 3hco s GLU 393 Cb 0.00 -2.23 -0.17 0.00 -0.44 0.00 0.00 34.13 31.29 3hco s GLU 393 CO 0.00 -0.52 0.74 1.28 0.95 0.00 0.00 175.26 177.71 3hco n LEU 394 N -0.77 0.46 -3.60 1.83 4.77 -1.26 -4.74 117.00 113.68 3hco n LEU 394 Ca 0.09 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.27 3hco n LEU 394 Cb 0.50 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hco n LEU 394 CO 0.43 -0.04 1.12 0.00 -1.33 0.00 0.00 177.39 177.57 3hco s SER 396 N -2.99 4.49 0.29 0.00 1.04 -1.26 -4.93 113.70 110.33 3hco s SER 396 Ca 0.14 2.01 -0.02 0.00 0.48 0.00 0.00 55.95 58.56 3hco s SER 396 Cb 0.06 -2.55 0.42 0.00 0.10 0.00 0.00 66.02 64.06 3hco s SER 396 CO -0.05 -2.05 1.94 0.50 0.98 0.00 0.00 173.24 174.57 3hco h LYS 397 N -0.67 1.12 -0.48 4.02 1.63 -2.01 -2.66 116.57 117.51 3hco h LYS 397 Ca -0.45 -0.07 0.09 0.00 -0.85 0.00 0.00 60.65 59.37 3hco h LYS 397 Cb 1.25 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 3hco h LYS 397 CO 0.51 0.74 0.33 1.96 -3.45 0.00 0.00 179.45 179.54 3hco h GLN 398 N 1.15 0.26 0.00 1.90 1.08 -1.95 -1.74 115.11 115.81 3hco h GLN 398 Ca 0.34 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.49 3hco h GLN 398 Cb -0.05 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3hco h GLN 398 CO -0.09 0.17 -0.17 1.25 -0.95 0.00 0.00 178.83 179.04 3hco h LEU 399 N 0.27 0.00 0.00 1.46 5.85 -1.85 -2.32 115.31 118.73 3hco h LEU 399 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hco h LEU 399 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hco h LEU 399 CO -0.05 0.17 0.00 0.35 -0.34 0.00 0.00 178.44 178.58 3hco n THR 400 N -3.52 0.45 -4.06 1.05 -2.24 -0.65 -4.55 114.28 100.76 3hco n THR 400 Ca -0.01 0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 3hco n THR 400 Cb 0.33 -0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 3hco n THR 400 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hco s LEU 401 N -2.65 2.52 0.69 3.22 2.96 -0.87 -5.12 118.68 119.43 3hco s LEU 401 Ca 0.17 -0.70 -0.09 0.00 -0.22 0.00 0.00 54.13 53.29 3hco s LEU 401 Cb 0.13 -1.56 0.04 0.00 0.50 0.00 0.00 46.19 45.30 3hco s LEU 401 CO 0.31 -0.04 1.03 -0.44 -1.32 0.00 0.00 176.35 175.89 3hco s SER 402 N 1.31 5.13 0.31 3.68 0.01 -1.26 -4.97 113.70 117.91 3hco s SER 402 Ca 0.03 0.75 -0.29 0.00 1.31 0.00 0.00 55.95 57.75 3hco s SER 402 Cb -0.14 -1.50 -0.12 0.00 0.21 0.00 0.00 66.02 64.46 3hco s SER 402 CO -0.09 -1.44 1.39 0.00 0.41 0.00 0.00 173.24 173.51 3hco h PRO 404 N 3.36 0.04 -0.08 0.00 0.11 -1.84 -1.94 132.00 131.64 3hco h PRO 404 Ca -0.46 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3hco h PRO 404 Cb 1.27 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3hco h PRO 404 CO 0.69 0.03 -0.30 1.28 -0.21 0.00 0.00 178.00 179.48 3hco n LEU 405 N -4.29 2.97 -4.64 2.35 4.77 -0.59 -5.05 117.00 112.50 3hco n LEU 405 Ca 0.19 -3.68 -0.48 0.00 -0.03 0.00 0.00 56.01 52.00 3hco n LEU 405 Cb 0.94 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 3hco n LEU 405 CO 0.38 1.21 1.11 0.00 -1.33 0.00 0.00 177.39 178.76 3hco n VAL 407 N 3.20 1.89 -3.64 0.00 0.24 -1.26 -4.96 118.33 113.81 3hco n VAL 407 Ca 0.18 -2.01 -0.40 0.00 -2.04 0.00 0.00 64.34 60.07 3hco n VAL 407 Cb 0.25 -0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.36 3hco n VAL 407 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hco s ASN 408 N -2.40 5.58 0.64 -1.34 3.84 -1.26 -4.98 114.94 115.03 3hco s ASN 408 Ca 0.32 -1.36 0.43 0.00 0.21 0.00 0.00 52.86 52.45 3hco s ASN 408 Cb 0.27 -1.97 2.26 0.00 -0.55 0.00 0.00 41.25 41.26 3hco s ASN 408 CO 0.05 -0.47 2.30 1.55 -2.79 0.00 0.00 177.10 177.74 3hco h PRO 409 N 8.36 0.00 -0.01 0.43 0.13 -2.03 -1.82 132.00 137.07 3hco h PRO 409 Ca -0.23 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 3hco h PRO 409 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3hco h PRO 409 CO 0.71 0.00 -0.53 0.28 -0.23 0.00 0.00 178.00 178.23 3hco h VAL 410 N 0.00 1.38 -0.35 1.56 2.07 -2.00 -3.26 116.25 115.65 3hco h VAL 410 Ca 0.00 -1.83 0.07 0.00 0.82 0.00 0.00 66.70 65.76 3hco h VAL 410 Cb 0.07 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 3hco h VAL 410 CO 0.00 0.53 -0.09 0.00 0.02 0.00 0.00 177.57 178.02 3hco h ARG 412 N -0.01 1.28 -0.87 0.00 2.43 -1.75 -1.64 114.38 113.82 3hco h ARG 412 Ca 0.17 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3hco h ARG 412 Cb 0.26 -0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3hco h ARG 412 CO -0.36 0.85 0.57 0.93 -1.51 0.00 0.00 179.97 180.45 3hco h GLU 413 N 1.32 1.14 -0.35 0.20 4.39 -1.30 -1.32 114.58 118.66 3hco h GLU 413 Ca 0.36 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.87 3hco h GLU 413 Cb -0.15 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.24 3hco h GLU 413 CO -0.08 0.76 -0.22 1.15 -1.16 0.00 0.00 179.01 179.47 3hco h THR 414 N 1.18 1.29 -0.25 1.13 2.02 -0.57 -0.55 112.91 117.15 3hco h THR 414 Ca 0.32 -1.36 0.06 0.00 0.77 0.00 0.00 66.41 66.20 3hco h THR 414 Cb -0.13 1.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 3hco h THR 414 CO -0.07 0.45 -0.21 0.50 0.37 0.00 0.00 175.52 176.56 3hco h LYS 415 N 0.55 -0.20 -0.86 6.66 3.64 -1.11 -2.32 116.57 122.94 3hco h LYS 415 Ca 0.07 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3hco h LYS 415 Cb 0.78 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 3hco h LYS 415 CO 0.06 -0.13 0.57 0.77 -2.27 0.00 0.00 179.45 178.45 3hco h SER 416 N -0.20 0.96 -0.25 4.20 0.02 -0.91 -1.24 113.55 116.13 3hco h SER 416 Ca 0.14 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3hco h SER 416 Cb 0.42 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.65 3hco h SER 416 CO -0.37 0.68 -0.32 0.15 -1.14 0.00 0.00 176.83 175.83 3hco h PHE 417 N 1.13 -0.89 -0.17 3.45 3.57 -0.59 -0.37 116.94 123.08 3hco h PHE 417 Ca 0.32 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 3hco h PHE 417 Cb -0.07 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3hco h PHE 417 CO -0.00 -0.39 -0.38 0.74 -2.23 0.00 0.00 178.31 176.06 3hco h PHE 418 N -0.33 0.70 0.00 0.41 -1.00 -0.94 -3.25 116.94 112.53 3hco h PHE 418 Ca 0.13 -0.26 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 3hco h PHE 418 Cb 0.54 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 3hco h PHE 418 CO -0.46 1.00 -0.14 1.79 -1.61 0.00 0.00 178.31 178.89 3hco h THR 419 N 0.19 0.34 -0.11 -1.55 1.35 -1.17 -2.92 112.91 109.04 3hco h THR 419 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3hco h THR 419 Cb 0.98 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3hco h THR 419 CO 0.08 0.14 0.00 -1.20 -0.25 0.00 0.00 175.52 174.29 3hco n SER 420 N -3.28 1.86 -4.77 5.36 7.64 -0.15 -4.99 113.62 115.29 3hco n SER 420 Ca 0.00 -1.67 -0.38 0.00 1.01 0.00 0.00 58.87 57.83 3hco n SER 420 Cb 0.39 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.52 3hco n SER 420 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hco s GLN 421 N -1.87 3.88 0.27 1.43 -1.52 -1.10 -4.93 119.66 115.83 3hco s GLN 421 Ca 0.35 1.88 -0.30 0.00 -1.95 0.00 0.00 55.36 55.33 3hco s GLN 421 Cb 0.20 -2.57 -0.13 0.00 -0.22 0.00 0.00 33.01 30.29 3hco s GLN 421 CO 0.30 -0.48 1.45 0.94 -0.25 0.00 0.00 175.29 177.25 3hco n GLN 422 N -0.18 2.25 -0.11 2.91 7.27 -1.26 -5.02 117.38 123.23 3hco n GLN 422 Ca 0.06 0.80 0.00 0.00 0.07 0.00 0.00 57.00 57.93 3hco n GLN 422 Cb 0.47 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.63 3hco n GLN 422 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41