#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwy s PRO 68 N 0.00 4.25 -0.70 1.61 0.02 -1.26 -4.92 135.00 134.01 3jwy s PRO 68 Ca 0.00 2.32 -0.07 0.00 0.02 0.00 0.00 61.00 63.27 3jwy s PRO 68 Cb 0.00 -3.12 -0.15 0.00 0.02 0.00 0.00 34.50 31.25 3jwy s PRO 68 CO 0.00 -0.46 2.90 1.17 -0.33 0.00 0.00 177.00 180.28 3jwy n LYS 69 N 2.64 2.42 -3.99 5.54 4.81 -1.26 -4.75 118.16 123.58 3jwy n LYS 69 Ca 0.08 -1.40 -0.09 0.00 -0.87 0.00 0.00 58.31 56.04 3jwy n LYS 69 Cb 0.40 -2.30 -0.10 0.00 0.02 0.00 0.00 35.03 33.04 3jwy n LYS 69 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3jwy s PHE 70 N 1.97 0.31 0.14 5.64 0.40 -1.26 -5.11 117.98 120.06 3jwy s PHE 70 Ca 0.58 -0.64 -0.35 0.00 -0.60 0.00 0.00 56.93 55.92 3jwy s PHE 70 Cb 0.21 -0.23 -0.15 0.00 0.51 0.00 0.00 43.02 43.37 3jwy s PHE 70 CO -0.03 -0.28 1.48 -2.30 0.70 0.00 0.00 175.22 174.80 3jwy n PRO 71 N 1.06 1.77 -3.26 0.24 -0.02 -1.25 -4.74 135.00 128.79 3jwy n PRO 71 Ca -0.20 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 3jwy n PRO 71 Cb 0.57 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3jwy n PRO 71 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3jwy s ARG 72 N 0.67 4.30 -0.14 -0.52 3.52 -1.26 -1.33 118.95 124.18 3jwy s ARG 72 Ca 0.80 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 57.02 3jwy s ARG 72 Cb -0.78 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.26 3jwy s ARG 72 CO 0.42 0.29 -0.15 0.08 -0.81 0.00 0.00 175.30 175.13 3jwy s VAL 73 N 0.13 1.60 -0.07 7.11 1.01 0.14 -4.98 120.40 125.34 3jwy s VAL 73 Ca 0.29 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3jwy s VAL 73 Cb -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3jwy s VAL 73 CO 0.14 0.46 -0.13 -0.75 0.00 0.00 0.00 175.10 174.82 3jwy s LYS 74 N 1.34 2.70 -0.29 2.72 2.20 -1.26 -0.94 119.74 126.21 3jwy s LYS 74 Ca 0.02 -0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 54.81 3jwy s LYS 74 Cb -0.13 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 3jwy s LYS 74 CO -0.08 0.55 0.34 1.21 -0.36 0.00 0.00 175.35 177.00 3jwy s ASN 75 N -0.52 6.20 0.19 1.43 3.84 -0.19 -1.21 114.94 124.68 3jwy s ASN 75 Ca 0.07 0.12 0.25 0.00 0.21 0.00 0.00 52.86 53.51 3jwy s ASN 75 Cb -0.12 -2.19 0.63 0.00 -0.55 0.00 0.00 41.25 39.02 3jwy s ASN 75 CO 0.02 -0.20 1.62 -0.50 -2.79 0.00 0.00 177.10 175.24 3jwy h TRP 76 N 8.28 0.00 -0.03 0.43 4.06 -1.01 0.12 115.95 127.79 3jwy h TRP 76 Ca -0.32 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.50 3jwy h TRP 76 Cb 1.16 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.33 3jwy h TRP 76 CO 0.74 0.00 -0.49 1.49 -3.56 0.00 0.00 178.44 176.62 3jwy h GLU 77 N 0.00 0.39 0.00 0.49 4.81 -1.95 -3.39 114.58 114.93 3jwy h GLU 77 Ca 0.00 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 3jwy h GLU 77 Cb 0.76 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3jwy h GLU 77 CO 0.00 1.04 -1.85 1.28 -0.73 0.00 0.00 179.01 178.75 3jwy n LEU 78 N -4.29 0.00 0.00 1.64 4.77 -1.22 -5.00 117.00 112.90 3jwy n LEU 78 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3jwy n LEU 78 Cb 0.61 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3jwy n LEU 78 CO 0.45 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3jwy n GLY 79 N 1.58 0.61 3.85 -0.72 0.00 0.40 -5.05 105.19 105.86 3jwy n GLY 79 Ca -0.07 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3jwy n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwy s SER 80 N -2.00 6.74 -0.02 1.61 1.04 -1.19 -4.87 113.70 115.00 3jwy s SER 80 Ca 0.00 1.23 0.06 0.00 0.48 0.00 0.00 55.95 57.73 3jwy s SER 80 Cb 0.00 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 3jwy s SER 80 CO 0.00 -0.21 -0.21 -0.63 0.98 0.00 0.00 173.24 173.17 3jwy s ILE 81 N -1.99 1.66 0.17 -1.02 -1.09 -1.26 -1.02 121.20 116.66 3jwy s ILE 81 Ca 0.53 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 3jwy s ILE 81 Cb -0.10 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.35 3jwy s ILE 81 CO 0.19 0.47 0.06 0.42 -1.23 0.00 0.00 174.94 174.85 3jwy s THR 82 N -0.46 0.29 -0.03 2.92 -4.23 -0.11 -4.98 115.64 109.03 3jwy s THR 82 Ca 0.07 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 3jwy s THR 82 Cb -0.08 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 3jwy s THR 82 CO -0.01 -0.30 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.23 3jwy s TYR 83 N -3.93 2.22 -0.38 3.99 1.51 -1.26 0.26 117.35 119.76 3jwy s TYR 83 Ca 0.29 -0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 55.64 3jwy s TYR 83 Cb 0.07 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3jwy s TYR 83 CO 0.06 -0.11 0.54 0.34 -1.11 0.00 0.00 175.55 175.28 3jwy s ASP 84 N -0.38 6.31 -0.06 2.29 -1.08 -0.44 -4.74 116.67 118.57 3jwy s ASP 84 Ca 0.04 -0.16 0.20 0.00 -0.52 0.00 0.00 52.55 52.11 3jwy s ASP 84 Cb -0.11 -2.28 -0.30 0.00 -1.46 0.00 0.00 42.92 38.77 3jwy s ASP 84 CO 0.01 -0.57 0.38 0.35 0.52 0.00 0.00 175.17 175.86 3jwy n THR 85 N 5.54 0.23 0.13 1.71 -2.24 -0.41 -3.97 114.28 115.27 3jwy n THR 85 Ca -0.04 -0.52 0.11 0.00 -2.27 0.00 0.00 64.05 61.32 3jwy n THR 85 Cb 0.48 -0.06 0.61 0.00 -2.10 0.00 0.00 70.33 69.26 3jwy n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jwy h LEU 86 N 0.00 0.10 -2.67 3.22 5.85 -1.62 -2.31 115.31 117.87 3jwy h LEU 86 Ca -0.09 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3jwy h LEU 86 Cb 1.15 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3jwy h LEU 86 CO 0.01 0.07 -0.01 0.00 -0.34 0.00 0.00 178.44 178.17 3jwy h ALA 88 N 1.99 1.39 -0.00 0.00 0.00 -1.73 -1.10 119.26 119.82 3jwy h ALA 88 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jwy h ALA 88 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3jwy h ALA 88 CO 0.00 0.00 -0.07 1.04 0.00 0.00 0.00 179.25 180.22 3jwy n GLN 89 N -3.65 0.10 -1.91 0.00 1.13 -0.30 -4.87 117.38 107.87 3jwy n GLN 89 Ca -0.03 -0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.60 3jwy n GLN 89 Cb 0.08 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 3jwy n GLN 89 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3jwy s SER 90 N -2.91 6.56 0.00 1.08 0.15 -0.42 -4.90 113.70 113.26 3jwy s SER 90 Ca 0.16 2.63 0.04 0.00 0.70 0.00 0.00 55.95 59.49 3jwy s SER 90 Cb 0.19 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 62.01 3jwy s SER 90 CO 0.54 -0.85 1.04 0.00 1.20 0.00 0.00 173.24 175.17 3jwy n GLN 91 N 4.13 2.52 -4.16 5.44 1.13 -1.25 -5.00 117.38 120.19 3jwy n GLN 91 Ca 0.14 -1.59 -0.17 0.00 -1.94 0.00 0.00 57.00 53.44 3jwy n GLN 91 Cb 0.38 -1.10 -0.15 0.00 0.11 0.00 0.00 30.24 29.48 3jwy n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3jwy s GLN 92 N -0.92 0.56 0.16 -1.09 2.00 -1.26 -5.14 119.66 113.97 3jwy s GLN 92 Ca 0.08 -0.15 -0.29 0.00 -2.00 0.00 0.00 55.36 53.01 3jwy s GLN 92 Cb 0.04 -0.57 -0.07 0.00 0.80 0.00 0.00 33.01 33.21 3jwy s GLN 92 CO 0.06 0.04 0.91 -0.51 -0.50 0.00 0.00 175.29 175.29 3jwy s ASP 93 N 0.29 7.51 0.56 6.67 1.01 -1.26 -4.34 116.67 127.11 3jwy s ASP 93 Ca -0.03 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.02 3jwy s ASP 93 Cb -0.07 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.29 3jwy s ASP 93 CO -0.00 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.04 3jwy n GLY 94 N 1.92 -0.14 0.26 0.21 0.00 -1.26 -5.02 105.19 101.17 3jwy n GLY 94 Ca -0.01 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.34 3jwy n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jwy n PRO 95 N -0.81 0.87 -2.86 1.61 -0.04 -1.26 -4.95 135.00 127.56 3jwy n PRO 95 Ca 0.00 -0.52 -0.33 0.00 -0.04 0.00 0.00 63.50 62.61 3jwy n PRO 95 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3jwy n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jwy s THR 97 N -2.19 0.38 0.47 0.00 -4.23 -0.73 -5.01 115.64 104.32 3jwy s THR 97 Ca 0.58 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.26 3jwy s THR 97 Cb -0.10 -2.58 0.33 0.00 1.34 0.00 0.00 72.50 71.49 3jwy s THR 97 CO 0.18 0.00 2.02 -0.65 -0.54 0.00 0.00 174.62 175.63 3jwy h PRO 98 N 2.41 0.23 -0.46 3.99 0.11 -2.05 -2.73 132.00 133.51 3jwy h PRO 98 Ca -0.37 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.59 3jwy h PRO 98 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3jwy h PRO 98 CO 0.57 0.15 -0.25 0.00 -0.21 0.00 0.00 178.00 178.26 3jwy h ARG 99 N 0.24 0.99 -2.49 1.05 3.08 -2.02 -3.46 114.38 111.77 3jwy h ARG 99 Ca 0.21 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 3jwy h ARG 99 Cb 0.51 -0.02 -0.24 0.00 0.08 0.00 0.00 29.97 30.31 3jwy h ARG 99 CO -0.04 1.12 -0.15 -0.98 -1.07 0.00 0.00 179.97 178.85 3jwy s ARG 100 N -4.61 0.56 -0.14 0.04 3.03 -1.03 -5.15 118.95 111.65 3jwy s ARG 100 Ca -0.11 0.78 -0.22 0.00 2.03 0.00 0.00 55.73 58.21 3jwy s ARG 100 Cb 0.12 0.20 -0.03 0.00 -1.03 0.00 0.00 34.95 34.21 3jwy s ARG 100 CO 0.87 -0.10 0.66 0.00 -1.13 0.00 0.00 175.30 175.60 3jwy n LEU 102 N 4.47 2.83 0.20 0.00 4.32 -1.26 -4.78 117.00 122.78 3jwy n LEU 102 Ca -0.01 -3.45 0.16 0.00 -0.02 0.00 0.00 56.01 52.69 3jwy n LEU 102 Cb 0.50 -0.50 0.81 0.00 -1.62 0.00 0.00 43.42 42.61 3jwy n LEU 102 CO 0.45 1.02 1.14 1.23 -1.22 0.00 0.00 177.39 180.01 3jwy h GLY 103 N 0.65 0.00 -0.19 -0.72 0.00 -1.94 -2.13 103.07 98.74 3jwy h GLY 103 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3jwy h GLY 103 CO 0.07 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.47 3jwy n SER 104 N -3.93 1.19 -4.69 0.19 3.41 -1.26 -4.86 113.62 103.67 3jwy n SER 104 Ca 0.02 -1.42 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 3jwy n SER 104 Cb 0.31 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3jwy n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jwy s LEU 105 N -1.95 4.30 0.07 1.04 1.43 -0.80 -4.94 118.68 117.82 3jwy s LEU 105 Ca 0.39 1.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.11 3jwy s LEU 105 Cb 0.21 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.72 3jwy s LEU 105 CO 0.33 -0.56 1.63 0.58 0.23 0.00 0.00 176.35 178.56 3jwy h VAL 106 N 4.92 1.12 -3.26 -1.59 2.07 -1.90 -3.40 116.25 114.20 3jwy h VAL 106 Ca -0.36 -0.34 -0.67 0.00 0.82 0.00 0.00 66.70 66.16 3jwy h VAL 106 Cb 1.17 1.24 -0.35 0.00 -1.52 0.00 0.00 31.29 31.83 3jwy h VAL 106 CO 0.87 0.10 -0.84 -0.76 0.02 0.00 0.00 177.57 176.95 3jwy s LEU 107 N -9.92 2.48 0.00 2.57 1.43 -1.26 -5.15 118.68 108.83 3jwy s LEU 107 Ca -0.14 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 3jwy s LEU 107 Cb 0.06 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.77 3jwy s LEU 107 CO 0.68 -0.05 0.00 -0.81 0.23 0.00 0.00 176.35 176.40 3jwy n PRO 108 N 4.58 0.00 -0.09 1.29 -0.04 -1.26 -5.18 135.00 134.30 3jwy n PRO 108 Ca -0.19 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.23 3jwy n PRO 108 Cb 0.48 -0.06 0.17 0.00 -0.04 0.00 0.00 33.50 34.04 3jwy n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jwy h ALA 122 N -0.65 1.11 0.05 0.55 0.00 -1.98 -3.51 119.26 114.82 3jwy h ALA 122 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.36 3jwy h ALA 122 Cb 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3jwy h ALA 122 CO 0.00 0.56 -1.12 0.93 0.00 0.00 0.00 179.25 179.63 3jwy h GLU 123 N 0.70 0.64 -0.50 0.00 3.07 -2.00 -2.82 114.58 113.67 3jwy h GLU 123 Ca 0.13 -0.75 -0.04 0.00 -0.50 0.00 0.00 59.36 58.21 3jwy h GLU 123 Cb 0.47 0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 3jwy h GLU 123 CO 0.02 1.32 0.17 0.37 -1.40 0.00 0.00 179.01 179.50 3jwy h GLN 124 N 0.33 0.76 -0.76 2.33 5.75 -2.04 -3.01 115.11 118.47 3jwy h GLN 124 Ca -0.15 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 3jwy h GLN 124 Cb 1.78 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 30.17 3jwy h GLN 124 CO 0.21 0.70 0.45 1.25 -2.65 0.00 0.00 178.83 178.80 3jwy h LEU 125 N 0.67 0.92 -0.45 -2.39 6.46 -1.95 -2.76 115.31 115.80 3jwy h LEU 125 Ca 0.16 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 3jwy h LEU 125 Cb 0.24 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 3jwy h LEU 125 CO -0.01 0.72 -0.03 0.25 -0.62 0.00 0.00 178.44 178.75 3jwy h LEU 126 N 1.04 0.81 -0.96 2.25 5.85 -1.43 0.12 115.31 123.00 3jwy h LEU 126 Ca 0.27 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 3jwy h LEU 126 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3jwy h LEU 126 CO -0.05 0.94 -0.23 0.77 -0.34 0.00 0.00 178.44 179.52 3jwy h SER 127 N 0.66 0.49 -0.36 1.25 4.64 -1.46 0.23 113.55 118.99 3jwy h SER 127 Ca 0.12 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 3jwy h SER 127 Cb 0.54 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3jwy h SER 127 CO 0.03 0.72 -0.31 1.56 -0.87 0.00 0.00 176.83 177.96 3jwy h GLN 128 N 0.43 0.85 0.03 4.77 4.20 -1.17 -2.18 115.11 122.03 3jwy h GLN 128 Ca 0.07 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 3jwy h GLN 128 Cb 0.65 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3jwy h GLN 128 CO 0.05 1.07 -0.02 0.00 -0.67 0.00 0.00 178.83 179.26 3jwy h ALA 129 N 0.76 -0.04 -0.70 3.87 0.00 -0.33 -1.30 119.26 121.52 3jwy h ALA 129 Ca 0.06 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3jwy h ALA 129 Cb 0.89 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3jwy h ALA 129 CO 0.08 -0.45 0.38 0.00 0.00 0.00 0.00 179.25 179.26 3jwy h ARG 130 N -0.20 0.65 -0.20 0.00 3.08 -0.58 0.48 114.38 117.62 3jwy h ARG 130 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3jwy h ARG 130 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3jwy h ARG 130 CO 0.01 0.43 0.12 0.22 -1.07 0.00 0.00 179.97 179.68 3jwy h ASP 131 N 0.67 0.24 -0.66 7.04 3.58 -1.29 -0.21 116.42 125.79 3jwy h ASP 131 Ca 0.33 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 3jwy h ASP 131 Cb 0.26 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3jwy h ASP 131 CO -0.22 0.23 0.32 0.15 -2.88 0.00 0.00 179.24 176.85 3jwy h PHE 132 N 0.23 0.95 -0.59 0.28 3.57 -0.53 -0.51 116.94 120.34 3jwy h PHE 132 Ca 0.07 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3jwy h PHE 132 Cb 0.04 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3jwy h PHE 132 CO -0.05 0.71 0.10 0.82 -2.23 0.00 0.00 178.31 177.66 3jwy h ILE 133 N 0.91 1.25 -0.58 1.41 1.08 -0.71 -0.01 117.51 120.86 3jwy h ILE 133 Ca 0.23 -0.95 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 3jwy h ILE 133 Cb 0.11 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 3jwy h ILE 133 CO -0.03 0.35 0.38 0.78 -0.69 0.00 0.00 178.15 178.95 3jwy h ASN 134 N 0.90 0.66 -0.45 1.72 2.35 -0.80 -0.98 115.58 118.97 3jwy h ASN 134 Ca 0.19 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.98 3jwy h ASN 134 Cb 0.39 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 3jwy h ASN 134 CO 0.01 0.47 0.17 1.56 -1.65 0.00 0.00 177.43 177.99 3jwy h GLN 135 N 0.78 0.34 0.01 0.81 4.20 -0.43 -0.81 115.11 120.01 3jwy h GLN 135 Ca 0.22 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3jwy h GLN 135 Cb -0.08 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3jwy h GLN 135 CO -0.05 0.22 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.40 3jwy h TYR 136 N 0.35 -0.02 -0.03 2.96 3.20 -0.61 -1.59 116.97 121.22 3jwy h TYR 136 Ca 0.21 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3jwy h TYR 136 Cb 0.20 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3jwy h TYR 136 CO -0.15 0.09 -0.28 1.88 -1.64 0.00 0.00 178.16 178.06 3jwy h TYR 137 N -0.12 0.07 -0.62 -3.82 0.05 -1.07 -1.72 116.97 109.74 3jwy h TYR 137 Ca -0.00 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 3jwy h TYR 137 Cb 0.11 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 3jwy h TYR 137 CO -0.04 0.34 0.12 0.77 -1.05 0.00 0.00 178.16 178.29 3jwy h SER 138 N 0.06 0.94 0.57 3.88 0.02 -1.00 0.29 113.55 118.31 3jwy h SER 138 Ca 0.01 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 3jwy h SER 138 Cb 0.53 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3jwy h SER 138 CO 0.04 0.93 -0.35 0.77 -1.14 0.00 0.00 176.83 177.08 3jwy h SER 139 N 0.94 0.00 -0.60 3.07 4.64 -0.38 -1.95 113.55 119.27 3jwy h SER 139 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3jwy h SER 139 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3jwy h SER 139 CO 0.01 0.35 0.00 2.30 -0.87 0.00 0.00 176.83 178.62 3jwy n ILE 140 N -3.78 0.83 -3.43 0.95 -5.35 -0.99 -4.98 119.36 102.61 3jwy n ILE 140 Ca -0.01 -0.92 -0.21 0.00 -0.27 0.00 0.00 62.75 61.34 3jwy n ILE 140 Cb 0.43 0.67 0.07 0.00 -1.74 0.00 0.00 39.64 39.07 3jwy n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jwy n LYS 141 N 1.54 -6.83 -1.14 6.28 4.76 -0.73 -4.93 118.16 117.12 3jwy n LYS 141 Ca 0.22 0.73 0.02 0.00 -2.87 0.00 0.00 58.31 56.41 3jwy n LYS 141 Cb 0.61 -5.46 0.12 0.00 -1.84 0.00 0.00 35.03 28.46 3jwy n LYS 141 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jwy n ARG 142 N -4.40 1.31 -2.20 1.97 5.12 0.97 -5.01 116.66 114.43 3jwy n ARG 142 Ca 0.00 -3.01 -0.42 0.00 -1.93 0.00 0.00 57.85 52.49 3jwy n ARG 142 Cb 0.56 -1.19 -0.03 0.00 -1.16 0.00 0.00 32.46 30.64 3jwy n ARG 142 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3jwy s SER 143 N -2.93 6.84 0.00 0.55 0.15 -1.15 -2.42 113.70 114.74 3jwy s SER 143 Ca 0.37 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.22 3jwy s SER 143 Cb 0.38 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 3jwy s SER 143 CO -0.09 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.27 3jwy n GLY 144 N 3.59 1.08 3.82 9.45 0.00 -1.26 -5.04 105.19 116.83 3jwy n GLY 144 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3jwy n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwy s SER 145 N -2.90 4.59 0.23 1.61 1.04 -1.02 -4.83 113.70 112.42 3jwy s SER 145 Ca 0.00 1.20 -0.07 0.00 0.48 0.00 0.00 55.95 57.57 3jwy s SER 145 Cb 0.00 -1.92 0.31 0.00 0.10 0.00 0.00 66.02 64.50 3jwy s SER 145 CO 0.00 -1.89 1.83 -0.61 0.98 0.00 0.00 173.24 173.54 3jwy h GLN 146 N -1.04 0.80 -0.68 4.02 -0.00 -1.97 -1.08 115.11 115.16 3jwy h GLN 146 Ca -0.47 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.08 3jwy h GLN 146 Cb 1.28 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 28.54 3jwy h GLN 146 CO 0.61 0.53 0.21 0.00 0.00 0.00 0.00 178.83 180.18 3jwy h ALA 147 N 1.39 1.09 -0.30 3.38 0.00 -1.93 -0.40 119.26 122.50 3jwy h ALA 147 Ca 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3jwy h ALA 147 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3jwy h ALA 147 CO -0.19 0.62 0.10 1.25 0.00 0.00 0.00 179.25 181.03 3jwy h HIS 148 N 1.01 0.47 -0.12 0.00 -0.00 -1.53 -1.26 115.15 113.72 3jwy h HIS 148 Ca 0.22 -0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.40 3jwy h HIS 148 Cb 0.29 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 3jwy h HIS 148 CO 0.02 0.49 -0.54 0.93 -0.00 0.00 0.00 177.93 178.83 3jwy h GLU 149 N 0.32 0.36 -0.33 5.26 4.39 -1.05 -1.80 114.58 121.74 3jwy h GLU 149 Ca 0.10 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 3jwy h GLU 149 Cb 0.23 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3jwy h GLU 149 CO -0.00 0.81 -0.03 0.93 -1.16 0.00 0.00 179.01 179.56 3jwy h GLU 150 N 0.28 0.61 -0.47 2.33 5.08 -1.03 -1.43 114.58 119.95 3jwy h GLU 150 Ca 0.01 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3jwy h GLU 150 Cb 1.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3jwy h GLU 150 CO 0.09 0.75 0.26 -0.09 -1.00 0.00 0.00 179.01 179.02 3jwy h ARG 151 N 0.40 0.65 -0.35 2.33 9.65 -1.12 0.15 114.38 126.09 3jwy h ARG 151 Ca 0.09 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 58.97 3jwy h ARG 151 Cb 0.50 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.88 3jwy h ARG 151 CO 0.02 0.51 -0.10 -0.07 2.80 0.00 0.00 179.97 183.13 3jwy h LEU 152 N 0.62 -0.37 -1.14 3.80 3.38 -1.26 0.15 115.31 120.48 3jwy h LEU 152 Ca 0.16 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3jwy h LEU 152 Cb 0.05 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3jwy h LEU 152 CO -0.03 -0.13 0.12 1.56 0.09 0.00 0.00 178.44 180.06 3jwy h GLN 153 N -0.02 0.73 -0.18 1.13 4.20 -0.96 -2.24 115.11 117.77 3jwy h GLN 153 Ca 0.17 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 3jwy h GLN 153 Cb 0.28 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3jwy h GLN 153 CO -0.37 0.66 -0.40 1.49 -0.67 0.00 0.00 178.83 179.53 3jwy h GLU 154 N 0.71 0.41 0.04 1.46 4.81 0.23 -2.34 114.58 119.90 3jwy h GLU 154 Ca 0.16 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3jwy h GLU 154 Cb 0.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3jwy h GLU 154 CO -0.00 0.75 -0.02 0.28 -0.73 0.00 0.00 179.01 179.29 3jwy h VAL 155 N 0.34 1.25 -0.35 0.32 2.07 -0.24 -2.72 116.25 116.93 3jwy h VAL 155 Ca 0.03 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3jwy h VAL 155 Cb 0.86 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 3jwy h VAL 155 CO 0.07 0.24 0.13 1.05 0.02 0.00 0.00 177.57 179.09 3jwy h GLU 156 N -0.48 0.50 -0.56 1.57 4.11 -1.43 -1.78 114.58 116.51 3jwy h GLU 156 Ca -0.01 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 3jwy h GLU 156 Cb 0.44 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3jwy h GLU 156 CO 0.01 0.42 -0.01 0.00 0.07 0.00 0.00 179.01 179.50 3jwy h ALA 157 N 1.65 0.91 -0.22 1.06 0.00 -1.43 0.19 119.26 121.41 3jwy h ALA 157 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3jwy h ALA 157 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3jwy h ALA 157 CO -0.01 0.65 0.05 0.93 0.00 0.00 0.00 179.25 180.87 3jwy h GLU 158 N 0.90 0.36 -0.18 0.00 5.08 -1.10 -2.47 114.58 117.16 3jwy h GLU 158 Ca 0.16 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3jwy h GLU 158 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3jwy h GLU 158 CO 0.03 0.48 0.06 0.28 -1.00 0.00 0.00 179.01 178.86 3jwy h VAL 159 N 0.18 1.18 -1.00 3.13 2.07 -1.07 0.10 116.25 120.84 3jwy h VAL 159 Ca 0.07 -0.54 0.20 0.00 0.82 0.00 0.00 66.70 67.25 3jwy h VAL 159 Cb 0.28 1.20 -0.10 0.00 -1.52 0.00 0.00 31.29 31.15 3jwy h VAL 159 CO 0.00 0.17 0.61 0.00 0.02 0.00 0.00 177.57 178.37 3jwy h ALA 160 N 0.89 1.77 0.00 1.67 0.00 -0.58 0.37 119.26 123.38 3jwy h ALA 160 Ca 0.06 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3jwy h ALA 160 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3jwy h ALA 160 CO -0.00 -0.14 -1.91 -1.13 0.00 0.00 0.00 179.25 176.07 3jwy n SER 161 N -4.74 0.31 -0.00 0.00 3.41 -0.94 -4.71 113.62 106.95 3jwy n SER 161 Ca 0.23 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3jwy n SER 161 Cb 0.62 1.01 -0.00 0.00 -0.26 0.00 0.00 64.21 65.58 3jwy n SER 161 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jwy n THR 162 N -2.64 0.00 -0.32 6.66 -2.24 0.35 -5.01 114.28 111.07 3jwy n THR 162 Ca -0.16 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3jwy n THR 162 Cb 0.86 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3jwy n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jwy n GLY 163 N 2.15 1.46 3.34 3.38 0.00 0.13 -4.98 105.19 110.67 3jwy n GLY 163 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3jwy n GLY 163 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3jwy s THR 164 N -3.00 0.00 0.34 2.61 -1.32 -1.26 -4.91 115.64 108.10 3jwy s THR 164 Ca 0.00 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.62 3jwy s THR 164 Cb 0.00 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.45 3jwy s THR 164 CO 0.00 0.00 0.41 -0.72 -2.21 0.00 0.00 174.62 172.10 3jwy s TYR 165 N -3.45 1.25 0.07 9.09 1.13 -1.26 -2.59 117.35 121.58 3jwy s TYR 165 Ca 0.37 -1.39 0.05 0.00 -1.41 0.00 0.00 57.07 54.69 3jwy s TYR 165 Cb 0.02 -0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 3jwy s TYR 165 CO 0.23 -1.05 -0.14 -1.01 -2.51 0.00 0.00 175.55 171.06 3jwy s HIS 166 N -3.18 1.21 0.12 -3.49 3.76 -1.26 -5.03 115.29 107.42 3jwy s HIS 166 Ca 0.33 -0.45 -0.13 0.00 -0.15 0.00 0.00 55.06 54.66 3jwy s HIS 166 Cb 0.01 -0.68 -0.07 0.00 1.11 0.00 0.00 32.58 32.95 3jwy s HIS 166 CO 0.22 0.05 0.50 -0.51 -0.85 0.00 0.00 174.74 174.16 3jwy s LEU 167 N -1.70 4.34 0.65 0.89 1.43 -1.26 -5.07 118.68 117.96 3jwy s LEU 167 Ca -0.02 0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 53.92 3jwy s LEU 167 Cb -0.10 -3.18 -0.00 0.00 0.03 0.00 0.00 46.19 42.94 3jwy s LEU 167 CO 0.02 0.13 1.12 -0.13 0.23 0.00 0.00 176.35 177.72 3jwy s ARG 168 N -1.94 2.78 0.20 1.70 0.52 -1.26 -4.83 118.95 116.12 3jwy s ARG 168 Ca 0.36 1.46 -0.17 0.00 -0.52 0.00 0.00 55.73 56.86 3jwy s ARG 168 Cb -0.15 -1.94 0.18 0.00 0.52 0.00 0.00 34.95 33.57 3jwy s ARG 168 CO 0.19 -1.28 1.60 1.49 0.02 0.00 0.00 175.30 177.32 3jwy h GLU 169 N 0.13 -0.09 0.00 3.54 4.81 -2.00 -1.17 114.58 119.80 3jwy h GLU 169 Ca -0.47 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 3jwy h GLU 169 Cb 1.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3jwy h GLU 169 CO 0.54 -0.06 -0.30 0.66 -0.73 0.00 0.00 179.01 179.12 3jwy h SER 170 N -0.10 0.00 -0.43 1.04 4.64 -2.00 -2.05 113.55 114.65 3jwy h SER 170 Ca 0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 3jwy h SER 170 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3jwy h SER 170 CO -0.68 0.30 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.12 3jwy h GLU 171 N 0.00 0.91 -0.11 4.77 5.08 -1.62 -1.83 114.58 121.78 3jwy h GLU 171 Ca -0.00 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3jwy h GLU 171 Cb 0.62 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3jwy h GLU 171 CO 0.04 0.98 0.06 1.25 -1.00 0.00 0.00 179.01 180.34 3jwy h LEU 172 N 0.81 0.14 -0.15 1.33 5.85 -0.62 -0.73 115.31 121.95 3jwy h LEU 172 Ca 0.13 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3jwy h LEU 172 Cb 0.66 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3jwy h LEU 172 CO 0.05 0.21 -0.12 0.58 -0.34 0.00 0.00 178.44 178.81 3jwy h VAL 173 N 0.07 0.65 -0.41 1.05 2.07 -1.34 0.98 116.25 119.33 3jwy h VAL 173 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3jwy h VAL 173 Cb 0.10 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3jwy h VAL 173 CO -0.01 0.00 0.22 0.15 0.02 0.00 0.00 177.57 177.96 3jwy h PHE 174 N -0.14 0.42 -0.59 1.57 3.57 -1.28 -2.62 116.94 117.87 3jwy h PHE 174 Ca 0.09 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 3jwy h PHE 174 Cb 0.28 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3jwy h PHE 174 CO -0.25 0.23 -0.00 0.78 -2.23 0.00 0.00 178.31 176.84 3jwy h GLY 175 N 0.45 1.11 0.96 2.40 0.00 -0.66 -0.77 103.07 106.56 3jwy h GLY 175 Ca 0.17 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3jwy h GLY 175 CO -0.09 0.75 0.19 0.00 0.00 0.00 0.00 176.54 177.38 3jwy h ALA 176 N 1.04 0.45 -0.76 3.60 0.00 -0.74 -0.67 119.26 122.18 3jwy h ALA 176 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3jwy h ALA 176 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3jwy h ALA 176 CO 0.03 -0.01 0.28 0.87 0.00 0.00 0.00 179.25 180.42 3jwy h LYS 177 N 0.44 1.15 -0.55 0.00 1.57 -1.33 -2.66 116.57 115.19 3jwy h LYS 177 Ca 0.12 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3jwy h LYS 177 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3jwy h LYS 177 CO -0.02 0.95 0.03 0.37 -0.57 0.00 0.00 179.45 180.22 3jwy h GLN 178 N 1.12 0.94 -0.92 3.15 5.75 -0.90 0.37 115.11 124.62 3jwy h GLN 178 Ca 0.25 -0.28 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3jwy h GLN 178 Cb 0.25 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 3jwy h GLN 178 CO -0.02 0.94 0.60 0.00 -2.65 0.00 0.00 178.83 177.70 3jwy h ALA 179 N 0.97 1.48 -0.16 3.38 0.00 -0.99 0.31 119.26 124.24 3jwy h ALA 179 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3jwy h ALA 179 Cb 0.49 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3jwy h ALA 179 CO 0.02 0.40 -0.24 2.35 0.00 0.00 0.00 179.25 181.78 3jwy h TRP 180 N 1.08 0.55 -0.95 0.00 7.01 -1.11 -2.96 115.95 119.57 3jwy h TRP 180 Ca 0.39 -0.18 0.14 0.00 2.11 0.00 0.00 58.89 61.35 3jwy h TRP 180 Cb 0.16 -0.11 -0.08 0.00 -2.10 0.00 0.00 29.16 27.03 3jwy h TRP 180 CO -0.00 0.86 0.60 -0.09 -2.79 0.00 0.00 178.44 177.02 3jwy h ARG 181 N 0.07 0.80 -0.00 2.65 2.43 -0.38 -2.69 114.38 117.26 3jwy h ARG 181 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3jwy h ARG 181 Cb 0.80 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3jwy h ARG 181 CO 0.05 0.53 -0.09 0.09 -1.51 0.00 0.00 179.97 179.04 3jwy n ASN 182 N -4.60 0.16 -4.57 -3.80 3.02 0.10 -4.85 115.26 100.72 3jwy n ASN 182 Ca 0.18 0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 3jwy n ASN 182 Cb 0.43 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 3jwy n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwy s ALA 183 N -2.80 2.62 0.51 5.41 0.00 -1.02 -4.65 121.76 121.83 3jwy s ALA 183 Ca 0.20 -0.47 0.35 0.00 0.00 0.00 0.00 51.96 52.03 3jwy s ALA 183 Cb 0.19 -4.15 1.87 0.00 0.00 0.00 0.00 23.12 21.03 3jwy s ALA 183 CO 0.53 -3.17 2.21 -1.35 0.00 0.00 0.00 175.76 173.97 3jwy h PRO 184 N 12.66 0.00 -0.02 0.00 0.11 -1.89 -2.83 132.00 140.02 3jwy h PRO 184 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3jwy h PRO 184 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3jwy h PRO 184 CO 1.16 0.04 -0.07 0.54 -0.21 0.00 0.00 178.00 179.46 3jwy n ARG 185 N -3.44 1.96 -3.44 1.05 1.74 -1.26 -0.99 116.66 112.28 3jwy n ARG 185 Ca -0.02 -1.51 -0.39 0.00 -0.77 0.00 0.00 57.85 55.16 3jwy n ARG 185 Cb 0.15 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 3jwy n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwy n VAL 187 N 5.12 0.48 1.14 0.00 3.14 -1.26 -3.96 118.33 122.98 3jwy n VAL 187 Ca -0.10 -0.24 0.03 0.00 -2.96 0.00 0.00 64.34 61.07 3jwy n VAL 187 Cb 0.51 -0.49 0.10 0.00 -1.06 0.00 0.00 33.84 32.90 3jwy n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jwy n GLY 188 N 1.34 0.39 0.03 7.55 0.00 -1.26 -4.52 105.19 108.71 3jwy n GLY 188 Ca 0.05 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.90 3jwy n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwy n ARG 189 N 0.15 0.03 0.08 1.61 1.74 -1.25 -2.20 116.66 116.82 3jwy n ARG 189 Ca 0.08 0.33 0.18 0.00 -0.77 0.00 0.00 57.85 57.67 3jwy n ARG 189 Cb 0.25 -1.57 0.72 0.00 -1.02 0.00 0.00 32.46 30.84 3jwy n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jwy h ILE 190 N 0.00 0.67 -0.07 0.55 6.09 -1.85 -1.42 117.51 121.47 3jwy h ILE 190 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3jwy h ILE 190 Cb 0.21 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.27 3jwy h ILE 190 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 3jwy n GLN 191 N -4.20 1.45 -0.12 2.19 1.13 -0.93 -4.61 117.38 112.28 3jwy n GLN 191 Ca 0.07 -0.66 0.20 0.00 -1.94 0.00 0.00 57.00 54.66 3jwy n GLN 191 Cb 0.50 -1.40 0.61 0.00 0.11 0.00 0.00 30.24 30.06 3jwy n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jwy h TRP 192 N 1.43 0.23 -0.00 1.08 5.08 -1.46 0.13 115.95 122.44 3jwy h TRP 192 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jwy h TRP 192 Cb 0.31 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 3jwy h TRP 192 CO 0.04 0.08 -0.08 0.41 -1.28 0.00 0.00 178.44 177.61 3jwy n GLY 193 N -1.60 -1.38 3.17 11.11 0.00 -1.26 -4.37 105.19 110.86 3jwy n GLY 193 Ca 0.14 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3jwy n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jwy s LYS 194 N -2.87 3.09 -0.05 1.61 2.20 0.45 -4.99 119.74 119.18 3jwy s LYS 194 Ca 0.18 -2.74 -0.02 0.00 -0.36 0.00 0.00 55.97 53.03 3jwy s LYS 194 Cb 0.19 -4.01 0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3jwy s LYS 194 CO 0.54 -1.23 0.10 -1.17 -0.36 0.00 0.00 175.35 173.23 3jwy s LEU 195 N -0.40 0.61 -0.44 5.43 2.96 -1.26 -4.67 118.68 120.92 3jwy s LEU 195 Ca 0.21 0.19 -0.21 0.00 -0.22 0.00 0.00 54.13 54.09 3jwy s LEU 195 Cb -0.14 0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.71 3jwy s LEU 195 CO -0.07 -0.17 0.68 -1.58 -1.32 0.00 0.00 176.35 173.89 3jwy s GLN 196 N 1.48 3.34 -0.38 1.98 2.00 -0.91 -4.98 119.66 122.19 3jwy s GLN 196 Ca -0.05 -0.27 -0.16 0.00 -2.00 0.00 0.00 55.36 52.88 3jwy s GLN 196 Cb -0.12 -3.94 0.00 0.00 0.80 0.00 0.00 33.01 29.75 3jwy s GLN 196 CO -0.05 -1.02 0.40 0.08 -0.50 0.00 0.00 175.29 174.20 3jwy s VAL 197 N 2.95 5.13 -0.22 1.34 1.01 -1.26 -1.31 120.40 128.04 3jwy s VAL 197 Ca 0.25 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3jwy s VAL 197 Cb -0.14 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3jwy s VAL 197 CO 0.20 -0.24 0.46 -0.36 0.00 0.00 0.00 175.10 175.15 3jwy s PHE 198 N 2.08 3.34 -0.47 5.22 0.08 0.23 -4.98 117.98 123.48 3jwy s PHE 198 Ca 0.12 0.65 -0.22 0.00 0.12 0.00 0.00 56.93 57.60 3jwy s PHE 198 Cb -0.17 -2.62 0.03 0.00 -0.57 0.00 0.00 43.02 39.70 3jwy s PHE 198 CO 0.12 -0.11 0.76 0.34 -0.10 0.00 0.00 175.22 176.23 3jwy s ASP 199 N 1.24 6.36 -0.29 1.36 -1.08 -1.26 -0.60 116.67 122.38 3jwy s ASP 199 Ca 0.21 -0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.01 3jwy s ASP 199 Cb -0.15 -2.37 0.46 0.00 -1.46 0.00 0.00 42.92 39.40 3jwy s ASP 199 CO 0.09 -0.93 1.31 0.00 0.52 0.00 0.00 175.17 176.16 3jwy n ALA 200 N 6.66 4.59 1.39 3.66 0.00 0.71 -4.76 120.51 132.78 3jwy n ALA 200 Ca 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 53.44 50.05 3jwy n ALA 200 Cb 0.48 -0.51 0.68 0.00 0.00 0.00 0.00 19.45 20.10 3jwy n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jwy n ARG 201 N -0.92 0.65 0.01 0.00 1.74 -1.03 -1.94 116.66 115.18 3jwy n ARG 201 Ca 0.36 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 3jwy n ARG 201 Cb 0.88 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.98 3jwy n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jwy n ASP 202 N -1.06 0.59 -4.69 0.55 5.68 -1.26 -4.53 116.55 111.83 3jwy n ASP 202 Ca 0.16 -0.24 -0.44 0.00 -0.50 0.00 0.00 54.79 53.77 3jwy n ASP 202 Cb 0.10 0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 3jwy n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jwy n SER 204 N 3.45 1.05 -3.81 0.00 3.41 -1.26 -4.73 113.62 111.73 3jwy n SER 204 Ca 0.16 -1.48 -0.10 0.00 -0.26 0.00 0.00 58.87 57.19 3jwy n SER 204 Cb 0.32 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 3jwy n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jwy s SER 205 N -0.48 -0.14 0.27 4.04 1.04 -1.26 -4.97 113.70 112.19 3jwy s SER 205 Ca 0.00 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 3jwy s SER 205 Cb 0.00 0.52 0.35 0.00 0.10 0.00 0.00 66.02 66.99 3jwy s SER 205 CO 0.00 -0.98 1.77 0.00 0.98 0.00 0.00 173.24 175.01 3jwy h ALA 206 N 2.34 1.12 -0.50 5.32 0.00 -1.92 -1.58 119.26 124.05 3jwy h ALA 206 Ca -0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3jwy h ALA 206 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3jwy h ALA 206 CO 0.42 0.56 0.32 0.37 0.00 0.00 0.00 179.25 180.92 3jwy h GLN 207 N 0.72 0.66 -0.54 0.00 5.75 -1.96 -1.46 115.11 118.28 3jwy h GLN 207 Ca 0.14 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3jwy h GLN 207 Cb 0.44 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3jwy h GLN 207 CO 0.02 0.46 0.00 1.49 -2.65 0.00 0.00 178.83 178.15 3jwy h GLU 208 N 0.67 0.93 -0.83 1.69 4.81 -1.92 -1.85 114.58 118.08 3jwy h GLU 208 Ca 0.18 -0.27 0.11 0.00 -0.13 0.00 0.00 59.36 59.24 3jwy h GLU 208 Cb -0.05 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.16 3jwy h GLU 208 CO -0.04 0.92 0.46 0.52 -0.73 0.00 0.00 179.01 180.15 3jwy h MET 209 N 0.86 0.73 0.25 1.92 2.86 -0.89 0.71 114.93 121.37 3jwy h MET 209 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3jwy h MET 209 Cb 0.51 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 3jwy h MET 209 CO 0.02 0.48 -0.14 0.35 1.06 0.00 0.00 176.91 178.69 3jwy h PHE 210 N 0.75 -0.35 -0.28 -0.22 3.57 -0.67 0.21 116.94 119.94 3jwy h PHE 210 Ca 0.41 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.97 3jwy h PHE 210 Cb 0.42 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.21 3jwy h PHE 210 CO -0.07 -0.22 -0.25 1.15 -2.23 0.00 0.00 178.31 176.70 3jwy h THR 211 N -0.36 0.37 -0.92 4.41 2.02 -0.83 -0.96 112.91 116.64 3jwy h THR 211 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 3jwy h THR 211 Cb 0.29 0.37 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 3jwy h THR 211 CO 0.04 0.00 0.54 1.88 0.37 0.00 0.00 175.52 178.36 3jwy h TYR 212 N -0.23 0.98 -0.39 3.16 0.05 -0.65 -1.45 116.97 118.44 3jwy h TYR 212 Ca 0.15 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.81 3jwy h TYR 212 Cb 0.47 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3jwy h TYR 212 CO -0.42 0.35 -0.37 0.82 -1.05 0.00 0.00 178.16 177.49 3jwy h ILE 213 N 0.84 1.27 -0.59 -2.88 2.04 -0.11 -1.19 117.51 116.90 3jwy h ILE 213 Ca 0.47 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3jwy h ILE 213 Cb 0.53 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3jwy h ILE 213 CO -0.29 0.52 0.25 0.00 0.00 0.00 0.00 178.15 178.62 3jwy h ASN 215 N 0.80 0.85 0.22 0.00 2.35 -1.19 -0.12 115.58 118.49 3jwy h ASN 215 Ca 0.20 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3jwy h ASN 215 Cb 0.18 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3jwy h ASN 215 CO -0.02 0.75 -0.17 -0.74 -1.65 0.00 0.00 177.43 175.61 3jwy h HIS 216 N 0.89 -0.43 -0.37 1.19 2.76 -0.78 -0.13 115.15 118.28 3jwy h HIS 216 Ca 0.22 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 3jwy h HIS 216 Cb 0.14 0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 3jwy h HIS 216 CO 0.00 -0.25 0.10 0.82 -1.30 0.00 0.00 177.93 177.30 3jwy h ILE 217 N -0.39 0.86 -0.26 6.26 2.04 -0.62 0.18 117.51 125.57 3jwy h ILE 217 Ca -0.01 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.79 3jwy h ILE 217 Cb 0.34 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3jwy h ILE 217 CO -0.01 0.04 0.10 0.11 0.00 0.00 0.00 178.15 178.40 3jwy h LYS 218 N 0.24 0.21 -0.27 2.37 1.57 -0.88 -0.90 116.57 118.92 3jwy h LYS 218 Ca 0.17 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3jwy h LYS 218 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3jwy h LYS 218 CO -0.20 0.14 0.09 -0.92 -0.57 0.00 0.00 179.45 177.99 3jwy h TYR 219 N 0.22 0.43 -0.34 -1.35 3.20 -0.56 -2.37 116.97 116.21 3jwy h TYR 219 Ca 0.11 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 3jwy h TYR 219 Cb 0.07 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3jwy h TYR 219 CO -0.12 0.46 -0.35 0.00 -1.64 0.00 0.00 178.16 176.51 3jwy h ALA 220 N 0.92 0.75 -0.04 1.82 0.00 -0.57 -3.22 119.26 118.91 3jwy h ALA 220 Ca 0.09 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3jwy h ALA 220 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3jwy h ALA 220 CO -0.00 0.66 -0.22 1.15 0.00 0.00 0.00 179.25 180.83 3jwy h THR 221 N 0.64 1.46 -6.60 0.00 2.02 -1.19 0.21 112.91 109.45 3jwy h THR 221 Ca 0.06 -1.70 -0.52 0.00 0.77 0.00 0.00 66.41 65.02 3jwy h THR 221 Cb 0.89 2.44 -0.14 0.00 -1.74 0.00 0.00 68.15 69.60 3jwy h THR 221 CO 0.08 0.47 -0.83 -3.20 0.37 0.00 0.00 175.52 172.41 3jwy n ASN 222 N -4.53 -3.00 -2.83 4.18 5.15 -0.89 -0.30 115.26 113.04 3jwy n ASN 222 Ca -0.09 -0.96 -0.21 0.00 -0.60 0.00 0.00 54.58 52.73 3jwy n ASN 222 Cb 0.45 -3.06 0.01 0.00 -0.53 0.00 0.00 39.78 36.65 3jwy n ASN 222 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3jwy n ARG 223 N -4.45 -3.47 0.00 1.20 1.74 -1.26 -2.04 116.66 108.37 3jwy n ARG 223 Ca -0.01 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 3jwy n ARG 223 Cb 0.54 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 3jwy n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwy n GLY 224 N -1.24 3.23 3.27 -0.13 0.00 0.59 -4.92 105.19 105.99 3jwy n GLY 224 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3jwy n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jwy n ASN 225 N 0.00 5.14 -4.75 1.61 5.15 -0.87 -1.06 115.26 120.47 3jwy n ASN 225 Ca 0.00 -3.01 -0.38 0.00 -0.60 0.00 0.00 54.58 50.59 3jwy n ASN 225 Cb 0.00 -1.55 0.03 0.00 -0.53 0.00 0.00 39.78 37.72 3jwy n ASN 225 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3jwy s LEU 226 N 1.21 3.90 -0.06 1.20 1.02 -1.25 -4.58 118.68 120.11 3jwy s LEU 226 Ca 0.43 2.67 0.01 0.00 0.02 0.00 0.00 54.13 57.26 3jwy s LEU 226 Cb 0.02 -4.25 0.02 0.00 0.02 0.00 0.00 46.19 42.00 3jwy s LEU 226 CO 0.01 -1.41 -0.08 -0.13 0.02 0.00 0.00 176.35 174.76 3jwy s ARG 227 N -2.84 1.22 0.34 1.70 0.52 0.06 -4.99 118.95 114.96 3jwy s ARG 227 Ca 0.69 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 55.38 3jwy s ARG 227 Cb -0.38 -1.12 -0.11 0.00 0.52 0.00 0.00 34.95 33.86 3jwy s ARG 227 CO 0.45 -0.06 1.49 -1.12 0.02 0.00 0.00 175.30 176.09 3jwy s SER 228 N 0.91 6.42 0.09 0.23 0.01 -1.26 -4.46 113.70 115.63 3jwy s SER 228 Ca -0.11 2.96 -0.22 0.00 1.31 0.00 0.00 55.95 59.89 3jwy s SER 228 Cb -0.15 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.48 3jwy s SER 228 CO 0.01 -0.84 0.52 0.00 0.41 0.00 0.00 173.24 173.35 3jwy s ALA 229 N -0.72 -1.34 -0.02 1.44 0.00 -0.75 -2.15 121.76 118.22 3jwy s ALA 229 Ca 0.56 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 3jwy s ALA 229 Cb -0.46 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.22 3jwy s ALA 229 CO 0.56 -0.59 0.04 -1.50 0.00 0.00 0.00 175.76 174.27 3jwy s ILE 230 N -2.98 -0.01 -0.14 0.00 2.07 -0.43 -0.81 121.20 118.90 3jwy s ILE 230 Ca -0.02 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 3jwy s ILE 230 Cb -0.00 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.51 3jwy s ILE 230 CO -0.06 0.01 -0.14 -0.89 -1.91 0.00 0.00 174.94 171.95 3jwy s THR 231 N 0.13 2.87 -0.29 4.00 2.01 -0.69 0.76 115.64 124.43 3jwy s THR 231 Ca -0.01 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 3jwy s THR 231 Cb -0.02 -2.21 0.03 0.00 0.01 0.00 0.00 72.50 70.32 3jwy s THR 231 CO -0.00 0.52 0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 3jwy s VAL 232 N 0.59 3.31 0.71 3.82 1.01 0.23 -2.78 120.40 127.29 3jwy s VAL 232 Ca -0.08 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 3jwy s VAL 232 Cb -0.16 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.51 3jwy s VAL 232 CO 0.03 0.01 1.01 -0.36 0.00 0.00 0.00 175.10 175.79 3jwy s PHE 233 N 1.36 2.58 0.56 5.22 0.08 -0.69 -0.20 117.98 126.88 3jwy s PHE 233 Ca -0.01 0.25 -0.21 0.00 0.12 0.00 0.00 56.93 57.08 3jwy s PHE 233 Cb -0.18 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 39.03 3jwy s PHE 233 CO -0.01 -1.50 1.29 -2.30 -0.10 0.00 0.00 175.22 172.61 3jwy n PRO 234 N -2.90 1.51 -1.39 0.24 -0.02 -1.25 -4.69 135.00 126.48 3jwy n PRO 234 Ca 0.10 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 3jwy n PRO 234 Cb 0.60 -2.50 0.09 0.00 -0.02 0.00 0.00 33.50 31.67 3jwy n PRO 234 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jwy s GLN 235 N -2.90 2.19 0.19 -0.52 -2.07 -1.26 -4.59 119.66 110.69 3jwy s GLN 235 Ca 0.73 0.92 -0.33 0.00 -1.82 0.00 0.00 55.36 54.87 3jwy s GLN 235 Cb -0.42 -1.91 -0.14 0.00 -1.09 0.00 0.00 33.01 29.45 3jwy s GLN 235 CO 0.48 -1.62 1.37 0.54 -1.32 0.00 0.00 175.29 174.74 3jwy n ARG 236 N -3.48 1.72 -4.43 9.60 1.74 0.26 -4.93 116.66 117.15 3jwy n ARG 236 Ca 0.08 0.62 -0.30 0.00 -0.77 0.00 0.00 57.85 57.47 3jwy n ARG 236 Cb 0.54 -2.25 -0.11 0.00 -1.02 0.00 0.00 32.46 29.61 3jwy n ARG 236 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwy s ALA 237 N 0.17 2.74 0.22 7.54 0.00 -1.26 -4.82 121.76 126.35 3jwy s ALA 237 Ca 0.74 -1.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 3jwy s ALA 237 Cb -0.74 -0.78 -0.11 0.00 0.00 0.00 0.00 23.12 21.49 3jwy s ALA 237 CO 0.48 0.60 1.59 -1.25 0.00 0.00 0.00 175.76 177.17 3jwy s PRO 238 N -1.83 4.18 0.00 0.00 0.04 -1.26 -2.86 135.00 133.27 3jwy s PRO 238 Ca 0.17 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.67 3jwy s PRO 238 Cb -0.11 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3jwy s PRO 238 CO 0.09 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.92 3jwy n GLY 239 N 3.18 2.59 3.93 0.56 0.00 -1.26 -4.97 105.19 109.21 3jwy n GLY 239 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3jwy n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jwy s ARG 240 N 0.00 3.48 0.83 1.61 3.00 -1.14 -5.11 118.95 121.63 3jwy s ARG 240 Ca 0.00 -0.43 -0.11 0.00 -1.00 0.00 0.00 55.73 54.19 3jwy s ARG 240 Cb 0.00 -2.95 0.09 0.00 0.00 0.00 0.00 34.95 32.09 3jwy s ARG 240 CO 0.00 0.52 1.09 0.20 0.00 0.00 0.00 175.30 177.11 3jwy s GLY 241 N -2.87 1.62 0.29 8.12 0.00 -1.26 -4.49 107.32 108.73 3jwy s GLY 241 Ca 0.36 -0.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 3jwy s GLY 241 CO 0.28 0.31 0.65 0.99 0.00 0.00 0.00 173.10 175.33 3jwy s ASP 242 N -3.71 6.66 0.03 1.64 1.01 -1.26 -4.55 116.67 116.49 3jwy s ASP 242 Ca 0.62 1.08 -0.29 0.00 0.71 0.00 0.00 52.55 54.67 3jwy s ASP 242 Cb -0.16 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 3jwy s ASP 242 CO 0.55 -0.18 0.92 -0.36 0.21 0.00 0.00 175.17 176.32 3jwy s PHE 243 N -1.97 3.71 -0.04 4.23 0.40 -1.26 -3.50 117.98 119.53 3jwy s PHE 243 Ca 0.50 1.66 -0.03 0.00 -0.60 0.00 0.00 56.93 58.46 3jwy s PHE 243 Cb -0.11 -3.03 0.02 0.00 0.51 0.00 0.00 43.02 40.41 3jwy s PHE 243 CO 0.21 0.10 0.11 1.03 0.70 0.00 0.00 175.22 177.37 3jwy s ARG 244 N 0.55 0.09 -0.28 0.44 1.81 -0.43 -3.38 118.95 117.75 3jwy s ARG 244 Ca 0.47 0.21 -0.13 0.00 -1.72 0.00 0.00 55.73 54.57 3jwy s ARG 244 Cb -0.21 -0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.21 3jwy s ARG 244 CO 0.27 -0.07 0.28 0.42 -0.68 0.00 0.00 175.30 175.52 3jwy s ILE 245 N 0.48 5.24 0.15 1.52 1.01 -1.26 -0.71 121.20 127.63 3jwy s ILE 245 Ca -0.04 0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 3jwy s ILE 245 Cb -0.05 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 3jwy s ILE 245 CO -0.02 0.17 1.46 -0.50 0.00 0.00 0.00 174.94 176.05 3jwy h TRP 246 N 8.31 0.96 -4.05 3.97 4.06 -1.44 -3.42 115.95 124.34 3jwy h TRP 246 Ca -0.33 -0.33 -0.55 0.00 2.06 0.00 0.00 58.89 59.74 3jwy h TRP 246 Cb 1.17 -0.19 0.13 0.00 -1.00 0.00 0.00 29.16 29.28 3jwy h TRP 246 CO 0.75 1.12 0.60 -0.80 -3.56 0.00 0.00 178.44 176.55 3jwy s ASN 247 N -6.92 5.27 0.28 -3.49 -0.87 -1.26 -4.93 114.94 103.02 3jwy s ASN 247 Ca -0.10 2.73 0.16 0.00 -1.57 0.00 0.00 52.86 54.09 3jwy s ASN 247 Cb 0.11 -2.63 0.08 0.00 -0.02 0.00 0.00 41.25 38.78 3jwy s ASN 247 CO 0.87 -1.57 1.43 0.77 -2.57 0.00 0.00 177.10 176.03 3jwy h SER 248 N 1.42 0.00 -4.86 -1.22 4.64 -1.90 -3.34 113.55 108.29 3jwy h SER 248 Ca -0.51 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.62 3jwy h SER 248 Cb 1.30 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.23 3jwy h SER 248 CO 0.57 0.47 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.20 3jwy s GLN 249 N -2.98 0.68 0.35 4.77 -0.21 -1.26 -0.80 119.66 120.21 3jwy s GLN 249 Ca 0.04 -1.16 0.12 0.00 0.02 0.00 0.00 55.36 54.38 3jwy s GLN 249 Cb 0.07 -0.06 0.63 0.00 1.00 0.00 0.00 33.01 34.66 3jwy s GLN 249 CO 0.74 -0.04 1.77 -0.07 -2.12 0.00 0.00 175.29 175.57 3jwy h LEU 250 N 3.36 0.00 -7.67 2.90 3.38 -1.63 -3.40 115.31 112.26 3jwy h LEU 250 Ca -0.35 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.03 3jwy h LEU 250 Cb 1.17 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.54 3jwy h LEU 250 CO 0.60 0.44 -0.80 -0.69 0.09 0.00 0.00 178.44 178.08 3jwy s VAL 251 N -4.02 1.38 0.05 1.22 1.01 -1.26 -4.94 120.40 113.85 3jwy s VAL 251 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3jwy s VAL 251 Cb 0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3jwy s VAL 251 CO 0.73 0.07 -0.04 -0.13 0.00 0.00 0.00 175.10 175.73 3jwy s ARG 252 N 1.50 0.59 0.11 2.72 1.81 -1.26 -4.87 118.95 119.55 3jwy s ARG 252 Ca -0.02 -1.08 -0.09 0.00 -1.72 0.00 0.00 55.73 52.81 3jwy s ARG 252 Cb -0.17 0.05 -0.06 0.00 -0.45 0.00 0.00 34.95 34.33 3jwy s ARG 252 CO -0.07 -0.06 0.42 0.71 -0.68 0.00 0.00 175.30 175.61 3jwy s TYR 253 N -3.14 3.55 0.60 -0.53 2.02 -1.26 -1.04 117.35 117.54 3jwy s TYR 253 Ca 0.02 0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 57.32 3jwy s TYR 253 Cb 0.02 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 3jwy s TYR 253 CO -0.06 0.48 1.18 0.00 -1.57 0.00 0.00 175.55 175.57 3jwy s ALA 254 N -1.48 2.54 -0.18 3.71 0.00 0.50 -4.43 121.76 122.41 3jwy s ALA 254 Ca 0.36 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 3jwy s ALA 254 Cb -0.13 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.61 3jwy s ALA 254 CO 0.19 -1.14 -0.06 0.20 0.00 0.00 0.00 175.76 174.95 3jwy s GLY 255 N -1.79 1.05 -0.33 0.00 0.00 -1.25 -1.52 107.32 103.48 3jwy s GLY 255 Ca 0.75 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 44.41 3jwy s GLY 255 CO 0.33 0.89 0.18 -0.19 0.00 0.00 0.00 173.10 174.31 3jwy s TYR 256 N 1.57 3.20 0.04 1.90 2.02 0.64 -4.35 117.35 122.37 3jwy s TYR 256 Ca -0.00 -0.56 -0.31 0.00 -0.37 0.00 0.00 57.07 55.84 3jwy s TYR 256 Cb -0.16 -2.39 -0.06 0.00 -0.40 0.00 0.00 41.96 38.95 3jwy s TYR 256 CO -0.08 -0.46 1.35 0.50 -1.57 0.00 0.00 175.55 175.29 3jwy s ARG 257 N 1.63 4.32 0.32 -0.62 3.52 -1.26 -1.07 118.95 125.78 3jwy s ARG 257 Ca 0.05 1.95 0.01 0.00 -0.13 0.00 0.00 55.73 57.61 3jwy s ARG 257 Cb -0.17 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3jwy s ARG 257 CO 0.07 -0.47 0.51 -0.65 -0.81 0.00 0.00 175.30 173.95 3jwy s GLN 258 N 1.74 3.48 0.22 5.12 -1.52 -0.27 -4.97 119.66 123.47 3jwy s GLN 258 Ca 0.63 -0.40 -0.08 0.00 -1.95 0.00 0.00 55.36 53.56 3jwy s GLN 258 Cb -0.32 -2.71 0.30 0.00 -0.22 0.00 0.00 33.01 30.05 3jwy s GLN 258 CO 0.28 0.21 1.79 0.37 -0.25 0.00 0.00 175.29 177.70 3jwy h GLN 259 N 0.92 0.63 -1.22 2.91 5.75 -1.96 -2.03 115.11 120.11 3jwy h GLN 259 Ca -0.50 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 3jwy h GLN 259 Cb 1.22 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.63 3jwy h GLN 259 CO 0.62 0.42 0.00 -3.47 -2.65 0.00 0.00 178.83 173.75 3jwy n ASP 260 N -4.82 1.24 0.00 -0.69 4.64 -1.26 -4.79 116.55 110.87 3jwy n ASP 260 Ca 0.10 -1.01 0.00 0.00 -1.38 0.00 0.00 54.79 52.50 3jwy n ASP 260 Cb 0.23 -0.25 0.00 0.00 -1.04 0.00 0.00 41.12 40.06 3jwy n ASP 260 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3jwy n GLY 261 N 0.61 1.35 2.03 0.27 0.00 -0.76 -4.89 105.19 103.80 3jwy n GLY 261 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3jwy n GLY 261 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwy n SER 262 N 0.24 -0.43 -4.03 1.61 3.41 -1.26 -4.69 113.62 108.47 3jwy n SER 262 Ca 0.00 -1.14 -0.23 0.00 -0.26 0.00 0.00 58.87 57.24 3jwy n SER 262 Cb 0.00 -0.55 -0.16 0.00 -0.26 0.00 0.00 64.21 63.24 3jwy n SER 262 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3jwy s VAL 263 N -2.42 0.99 -0.21 -3.33 1.01 -1.26 -1.11 120.40 114.07 3jwy s VAL 263 Ca 0.40 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 3jwy s VAL 263 Cb -0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 3jwy s VAL 263 CO 0.29 0.31 0.16 -0.60 0.00 0.00 0.00 175.10 175.26 3jwy s ARG 264 N 0.35 4.15 0.59 2.72 3.52 -0.24 -4.93 118.95 125.10 3jwy s ARG 264 Ca -0.07 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 3jwy s ARG 264 Cb -0.12 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3jwy s ARG 264 CO 0.02 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 3jwy n GLY 265 N 3.83 0.38 3.49 8.12 0.00 -1.26 -0.26 105.19 119.50 3jwy n GLY 265 Ca -0.15 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 3jwy n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jwy s ASP 266 N -4.00 6.22 0.47 1.61 -1.08 -0.58 -4.78 116.67 114.53 3jwy s ASP 266 Ca 0.00 -0.59 0.32 0.00 -0.52 0.00 0.00 52.55 51.76 3jwy s ASP 266 Cb 0.00 -2.24 1.61 0.00 -1.46 0.00 0.00 42.92 40.83 3jwy s ASP 266 CO 0.00 -0.62 1.97 -0.65 0.52 0.00 0.00 175.17 176.39 3jwy h PRO 267 N 8.75 0.00 0.00 4.34 0.11 -1.81 -1.77 132.00 141.61 3jwy h PRO 267 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jwy h PRO 267 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3jwy h PRO 267 CO 0.81 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 3jwy h ALA 268 N 2.04 1.00 -0.18 -0.75 0.00 -1.93 -3.23 119.26 116.22 3jwy h ALA 268 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3jwy h ALA 268 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3jwy h ALA 268 CO 0.00 0.00 -0.02 0.09 0.00 0.00 0.00 179.25 179.32 3jwy n ASN 269 N -2.78 3.22 -0.10 0.00 3.02 -0.67 -4.73 115.26 113.21 3jwy n ASN 269 Ca 0.00 -3.13 -0.09 0.00 -0.03 0.00 0.00 54.58 51.34 3jwy n ASN 269 Cb 0.23 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 3jwy n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jwy h VAL 270 N 1.13 1.09 -0.21 2.41 2.07 -1.69 -1.87 116.25 119.19 3jwy h VAL 270 Ca 0.02 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3jwy h VAL 270 Cb 1.31 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3jwy h VAL 270 CO 0.16 0.09 -0.00 -0.08 0.02 0.00 0.00 177.57 177.76 3jwy h GLU 271 N 0.46 0.37 -0.15 1.57 4.81 -1.89 -1.58 114.58 118.17 3jwy h GLU 271 Ca 0.13 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3jwy h GLU 271 Cb -0.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3jwy h GLU 271 CO -0.03 0.57 -0.33 0.97 -0.73 0.00 0.00 179.01 179.46 3jwy h ILE 272 N 0.13 1.28 -0.45 2.32 6.09 -1.91 -0.06 117.51 124.91 3jwy h ILE 272 Ca 0.06 -1.34 -0.02 0.00 -1.37 0.00 0.00 64.86 62.19 3jwy h ILE 272 Cb 0.40 1.53 -0.02 0.00 0.47 0.00 0.00 36.82 39.20 3jwy h ILE 272 CO 0.01 0.41 0.19 0.74 -3.07 0.00 0.00 178.15 176.43 3jwy h THR 273 N 0.26 1.20 -0.02 2.19 2.02 -1.21 -0.31 112.91 117.03 3jwy h THR 273 Ca 0.03 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 3jwy h THR 273 Cb 0.71 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3jwy h THR 273 CO 0.05 0.22 -0.53 -0.33 0.37 0.00 0.00 175.52 175.30 3jwy h GLU 274 N 0.58 0.07 -0.40 6.66 5.08 -0.78 -2.02 114.58 123.77 3jwy h GLU 274 Ca 0.15 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 3jwy h GLU 274 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3jwy h GLU 274 CO -0.01 0.58 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.19 3jwy h LEU 275 N 0.05 0.93 -0.51 1.33 3.38 -0.83 -2.34 115.31 117.31 3jwy h LEU 275 Ca -0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3jwy h LEU 275 Cb 0.96 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3jwy h LEU 275 CO 0.07 1.16 0.27 0.00 0.09 0.00 0.00 178.44 180.03 3jwy h ILE 277 N 0.68 1.26 -0.52 0.00 2.04 -1.40 -0.95 117.51 118.62 3jwy h ILE 277 Ca 0.18 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3jwy h ILE 277 Cb 0.08 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3jwy h ILE 277 CO -0.03 0.36 0.33 1.56 0.00 0.00 0.00 178.15 180.37 3jwy h GLN 278 N 1.00 0.69 -0.66 2.37 4.20 -1.14 -1.83 115.11 119.74 3jwy h GLN 278 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3jwy h GLN 278 Cb 0.37 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3jwy h GLN 278 CO 0.00 0.47 0.00 0.72 -0.67 0.00 0.00 178.83 179.35 3jwy n HIS 279 N -4.44 1.02 0.00 2.96 8.25 -0.56 -4.89 115.22 117.56 3jwy n HIS 279 Ca 0.05 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3jwy n HIS 279 Cb 0.06 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3jwy n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jwy n GLY 280 N 0.61 0.98 3.71 -1.41 0.00 -0.69 -4.83 105.19 103.56 3jwy n GLY 280 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3jwy n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jwy s TRP 281 N -2.00 3.30 -0.39 1.61 -0.00 -0.39 -4.99 118.94 116.07 3jwy s TRP 281 Ca 0.00 1.17 -0.27 0.00 -0.00 0.00 0.00 56.10 57.01 3jwy s TRP 281 Cb 0.00 -3.49 0.02 0.00 -0.00 0.00 0.00 33.47 30.00 3jwy s TRP 281 CO 0.00 -1.60 0.98 0.99 -0.00 0.00 0.00 176.95 177.31 3jwy s THR 282 N 1.41 4.50 0.59 5.86 2.01 -1.26 -4.35 115.64 124.39 3jwy s THR 282 Ca 0.60 1.19 -0.13 0.00 0.31 0.00 0.00 61.69 63.66 3jwy s THR 282 Cb -0.30 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 3jwy s THR 282 CO 0.28 -0.65 1.02 -2.16 -0.69 0.00 0.00 174.62 172.42 3jwy s PRO 283 N 3.69 3.68 0.00 4.92 0.04 -1.26 -5.09 135.00 140.98 3jwy s PRO 283 Ca 0.40 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3jwy s PRO 283 Cb -0.11 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3jwy s PRO 283 CO 0.21 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.17 3jwy n GLY 284 N -2.25 0.13 2.68 0.56 0.00 -1.26 -5.07 105.19 99.98 3jwy n GLY 284 Ca 0.06 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 3jwy n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jwy n ASN 285 N 0.00 -0.25 -4.87 1.61 5.15 -1.26 -5.07 115.26 110.57 3jwy n ASN 285 Ca 0.00 -2.13 -0.23 0.00 -0.60 0.00 0.00 54.58 51.62 3jwy n ASN 285 Cb 0.00 0.22 -0.03 0.00 -0.53 0.00 0.00 39.78 39.44 3jwy n ASN 285 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3jwy s GLY 286 N -2.17 2.22 0.33 8.20 0.00 -1.26 -5.04 107.32 109.60 3jwy s GLY 286 Ca 0.16 -1.75 0.24 0.00 0.00 0.00 0.00 44.72 43.37 3jwy s GLY 286 CO -0.09 -1.80 1.61 3.21 0.00 0.00 0.00 173.10 176.02 3jwy h ARG 287 N 0.97 0.00 -0.84 2.90 3.08 -1.92 -3.38 114.38 115.19 3jwy h ARG 287 Ca -0.40 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.28 3jwy h ARG 287 Cb 1.28 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.92 3jwy h ARG 287 CO 0.59 0.00 -1.07 1.19 -1.07 0.00 0.00 179.97 179.61 3jwy n PHE 288 N -2.74 1.66 -2.73 3.04 3.72 -1.26 -4.28 117.46 114.88 3jwy n PHE 288 Ca 0.04 -2.54 -0.43 0.00 -0.05 0.00 0.00 57.45 54.47 3jwy n PHE 288 Cb 0.49 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3jwy n PHE 288 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3jwy s ASP 289 N -3.47 6.96 0.06 4.37 1.01 -1.26 -4.93 116.67 119.41 3jwy s ASP 289 Ca 0.32 1.15 -0.31 0.00 0.71 0.00 0.00 52.55 54.42 3jwy s ASP 289 Cb 0.40 -2.51 -0.08 0.00 1.01 0.00 0.00 42.92 41.74 3jwy s ASP 289 CO -0.02 -0.70 1.63 -0.69 0.21 0.00 0.00 175.17 175.61 3jwy s VAL 290 N 3.24 3.10 0.58 -1.27 1.01 -1.26 -0.37 120.40 125.42 3jwy s VAL 290 Ca 0.41 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.76 3jwy s VAL 290 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3jwy s VAL 290 CO 0.10 -0.00 1.11 -0.76 0.00 0.00 0.00 175.10 175.54 3jwy s LEU 291 N 2.64 3.62 0.78 3.92 1.43 -0.21 -4.86 118.68 126.00 3jwy s LEU 291 Ca 0.73 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 3jwy s LEU 291 Cb -0.39 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.33 3jwy s LEU 291 CO 0.32 -1.32 1.15 -2.16 0.23 0.00 0.00 176.35 174.56 3jwy s PRO 292 N -3.60 2.16 -0.08 1.29 0.04 -1.26 -4.75 135.00 128.79 3jwy s PRO 292 Ca 0.70 0.14 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 3jwy s PRO 292 Cb -0.22 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 3jwy s PRO 292 CO 0.32 -1.45 0.24 -0.51 0.04 0.00 0.00 177.00 175.64 3jwy s LEU 293 N -5.50 4.40 -0.32 -3.56 1.02 0.11 -4.91 118.68 109.92 3jwy s LEU 293 Ca 0.61 0.64 -0.04 0.00 0.02 0.00 0.00 54.13 55.36 3jwy s LEU 293 Cb -0.11 -2.27 0.05 0.00 0.02 0.00 0.00 46.19 43.88 3jwy s LEU 293 CO 0.49 0.35 0.06 -0.22 0.02 0.00 0.00 176.35 177.05 3jwy s LEU 294 N -0.89 4.17 -0.08 1.79 2.96 -1.26 -0.90 118.68 124.47 3jwy s LEU 294 Ca 0.18 -1.27 0.04 0.00 -0.22 0.00 0.00 54.13 52.87 3jwy s LEU 294 Cb -0.14 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 3jwy s LEU 294 CO 0.07 -0.31 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.81 3jwy s LEU 295 N 1.31 2.22 -0.22 -0.68 1.43 -0.34 -1.08 118.68 121.32 3jwy s LEU 295 Ca -0.03 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3jwy s LEU 295 Cb -0.20 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.64 3jwy s LEU 295 CO 0.00 0.22 -0.12 -1.58 0.23 0.00 0.00 176.35 175.10 3jwy s GLN 296 N -0.00 2.29 0.56 1.70 0.74 0.11 -0.56 119.66 124.49 3jwy s GLN 296 Ca -0.08 -1.05 -0.13 0.00 0.05 0.00 0.00 55.36 54.15 3jwy s GLN 296 Cb -0.15 -2.65 -0.06 0.00 1.10 0.00 0.00 33.01 31.26 3jwy s GLN 296 CO 0.05 -0.45 0.99 0.00 -0.55 0.00 0.00 175.29 175.33 3jwy s ALA 297 N 1.26 3.12 0.05 1.58 0.00 -1.26 -1.31 121.76 125.19 3jwy s ALA 297 Ca -0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 51.96 51.55 3jwy s ALA 297 Cb -0.17 -3.05 -0.16 0.00 0.00 0.00 0.00 23.12 19.73 3jwy s ALA 297 CO -0.08 -0.45 1.41 -2.30 0.00 0.00 0.00 175.76 174.34 3jwy n PRO 298 N -2.17 1.22 -1.57 0.00 -0.02 -1.23 -2.09 135.00 129.14 3jwy n PRO 298 Ca 0.06 0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 61.79 3jwy n PRO 298 Cb 0.54 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 3jwy n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jwy n ASP 299 N 2.96 -5.28 -4.47 2.55 8.00 -1.26 -4.85 116.55 114.20 3jwy n ASP 299 Ca 0.19 0.46 -0.27 0.00 0.71 0.00 0.00 54.79 55.88 3jwy n ASP 299 Cb 0.19 -4.43 -0.11 0.00 -0.02 0.00 0.00 41.12 36.75 3jwy n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3jwy s GLU 300 N -3.63 1.69 0.66 -1.24 2.02 -0.89 -5.09 118.70 112.23 3jwy s GLU 300 Ca 0.00 -1.46 -0.16 0.00 0.02 0.00 0.00 54.97 53.37 3jwy s GLU 300 Cb 0.00 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.29 3jwy s GLU 300 CO 0.00 0.41 1.18 0.00 0.02 0.00 0.00 175.26 176.87 3jwy s ALA 301 N -1.72 2.35 0.49 5.21 0.00 -1.26 -4.62 121.76 122.22 3jwy s ALA 301 Ca 0.22 0.83 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 3jwy s ALA 301 Cb -0.08 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 3jwy s ALA 301 CO 0.12 -1.47 1.07 -1.25 0.00 0.00 0.00 175.76 174.23 3jwy s PRO 302 N -3.77 3.70 0.12 0.00 0.04 -1.26 -4.71 135.00 129.11 3jwy s PRO 302 Ca 0.73 1.48 0.04 0.00 0.04 0.00 0.00 61.00 63.29 3jwy s PRO 302 Cb -0.27 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3jwy s PRO 302 CO 0.40 -0.54 0.08 -1.21 0.04 0.00 0.00 177.00 175.77 3jwy s GLU 303 N -3.15 2.79 -0.17 4.56 2.02 0.27 -4.84 118.70 120.18 3jwy s GLU 303 Ca 0.68 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.75 3jwy s GLU 303 Cb -0.20 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 3jwy s GLU 303 CO 0.23 0.53 0.18 -1.17 0.02 0.00 0.00 175.26 175.05 3jwy s LEU 304 N -2.66 4.26 -0.05 1.80 2.96 -1.26 -1.20 118.68 122.53 3jwy s LEU 304 Ca 0.29 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.56 3jwy s LEU 304 Cb -0.11 -2.17 0.03 0.00 0.50 0.00 0.00 46.19 44.44 3jwy s LEU 304 CO 0.22 0.21 0.01 -0.36 -1.32 0.00 0.00 176.35 175.11 3jwy s PHE 305 N 0.07 0.44 -0.16 5.38 0.40 -0.08 -4.97 117.98 119.05 3jwy s PHE 305 Ca 0.12 -0.03 -0.23 0.00 -0.60 0.00 0.00 56.93 56.19 3jwy s PHE 305 Cb -0.12 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 3jwy s PHE 305 CO 0.01 -0.23 0.70 0.08 0.70 0.00 0.00 175.22 176.48 3jwy s VAL 306 N 1.67 4.99 0.13 -0.44 1.01 -1.26 0.09 120.40 126.60 3jwy s VAL 306 Ca -0.00 1.36 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 3jwy s VAL 306 Cb -0.13 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 3jwy s VAL 306 CO -0.03 0.12 1.39 -0.76 0.00 0.00 0.00 175.10 175.82 3jwy s LEU 307 N 1.71 4.38 0.15 3.92 1.43 -1.26 -4.98 118.68 124.01 3jwy s LEU 307 Ca 0.33 2.36 -0.31 0.00 -1.03 0.00 0.00 54.13 55.48 3jwy s LEU 307 Cb -0.16 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 3jwy s LEU 307 CO 0.13 -0.65 1.64 -2.84 0.23 0.00 0.00 176.35 174.85 3jwy s PRO 308 N 0.93 4.19 0.63 1.29 0.02 -1.26 -4.87 135.00 135.93 3jwy s PRO 308 Ca 0.64 2.42 0.37 0.00 0.02 0.00 0.00 61.00 64.45 3jwy s PRO 308 Cb -0.37 -3.28 2.12 0.00 0.02 0.00 0.00 34.50 32.99 3jwy s PRO 308 CO 0.31 -0.68 2.31 -1.35 -0.33 0.00 0.00 177.00 177.26 3jwy h PRO 309 N 7.30 0.00 0.00 5.54 0.11 -1.94 -0.89 132.00 142.11 3jwy h PRO 309 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3jwy h PRO 309 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3jwy h PRO 309 CO 0.93 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.77 3jwy h GLU 310 N 0.00 0.00 0.00 1.05 9.09 -2.04 -2.35 114.58 120.33 3jwy h GLU 310 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.35 3jwy h GLU 310 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 3jwy h GLU 310 CO -0.00 0.00 -0.59 -0.07 0.05 0.00 0.00 179.01 178.40 3jwy h LEU 311 N 0.00 0.00 -7.97 3.06 4.07 -1.53 -3.43 115.31 109.51 3jwy h LEU 311 Ca 0.00 0.00 -0.75 0.00 0.08 0.00 0.00 57.88 57.21 3jwy h LEU 311 Cb 0.42 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.92 3jwy h LEU 311 CO 0.00 0.27 0.13 -0.69 -1.08 0.00 0.00 178.44 177.07 3jwy s VAL 312 N -3.10 5.26 -0.02 1.22 1.01 -0.88 -4.81 120.40 119.08 3jwy s VAL 312 Ca 0.03 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.85 3jwy s VAL 312 Cb 0.07 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 3jwy s VAL 312 CO 0.74 -1.08 1.29 -0.22 0.00 0.00 0.00 175.10 175.84 3jwy s LEU 313 N 1.29 4.31 0.20 3.92 2.96 -1.26 -4.99 118.68 125.11 3jwy s LEU 313 Ca 0.15 1.97 0.10 0.00 -0.22 0.00 0.00 54.13 56.13 3jwy s LEU 313 Cb -0.17 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3jwy s LEU 313 CO -0.03 -0.63 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.56 3jwy s GLU 314 N 2.16 1.42 -0.23 1.98 2.02 -1.26 -0.53 118.70 124.25 3jwy s GLU 314 Ca 0.60 -1.53 0.02 0.00 0.02 0.00 0.00 54.97 54.08 3jwy s GLU 314 Cb -0.28 -1.50 0.05 0.00 0.10 0.00 0.00 34.13 32.50 3jwy s GLU 314 CO 0.25 0.30 -0.12 0.08 0.02 0.00 0.00 175.26 175.79 3jwy s VAL 315 N -2.19 1.96 0.23 2.63 1.01 0.79 -4.90 120.40 119.93 3jwy s VAL 315 Ca 0.21 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 3jwy s VAL 315 Cb -0.05 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 3jwy s VAL 315 CO 0.09 0.10 1.31 -2.84 0.00 0.00 0.00 175.10 173.76 3jwy s PRO 316 N 1.23 4.39 -0.16 2.72 0.02 -1.26 -2.39 135.00 139.54 3jwy s PRO 316 Ca -0.05 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 62.86 3jwy s PRO 316 Cb -0.18 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 3jwy s PRO 316 CO -0.07 -0.23 0.60 -0.51 -0.33 0.00 0.00 177.00 176.46 3jwy s LEU 317 N -0.51 4.19 0.16 -5.54 1.43 -0.17 -4.87 118.68 113.38 3jwy s LEU 317 Ca 0.55 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 3jwy s LEU 317 Cb -0.37 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 3jwy s LEU 317 CO 0.41 -0.19 -0.03 -1.83 0.23 0.00 0.00 176.35 174.95 3jwy s GLU 318 N 1.48 1.08 0.03 1.70 -1.05 -1.26 -4.07 118.70 116.60 3jwy s GLU 318 Ca 0.29 -1.50 0.03 0.00 -0.15 0.00 0.00 54.97 53.63 3jwy s GLU 318 Cb -0.16 -0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.14 3jwy s GLU 318 CO 0.11 -0.07 -0.02 -1.58 0.95 0.00 0.00 175.26 174.65 3jwy s HIS 319 N -3.57 2.99 0.34 4.83 5.65 -1.26 -4.35 115.29 119.93 3jwy s HIS 319 Ca 0.21 0.01 0.03 0.00 0.25 0.00 0.00 55.06 55.57 3jwy s HIS 319 Cb 0.05 -1.61 0.65 0.00 -1.18 0.00 0.00 32.58 30.49 3jwy s HIS 319 CO 0.02 0.44 1.95 -1.00 -0.65 0.00 0.00 174.74 175.51 3jwy h PRO 320 N 4.15 0.85 0.00 2.88 0.13 -1.92 -3.36 132.00 134.72 3jwy h PRO 320 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3jwy h PRO 320 Cb 1.17 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3jwy h PRO 320 CO 0.57 0.56 -0.78 0.25 -0.23 0.00 0.00 178.00 178.36 3jwy n THR 321 N -4.47 0.00 -2.72 1.56 -2.24 -1.26 -4.95 114.28 100.20 3jwy n THR 321 Ca 0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 3jwy n THR 321 Cb 0.19 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 3jwy n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jwy s LEU 322 N -3.16 3.87 0.42 3.22 1.43 -1.26 -4.90 118.68 118.30 3jwy s LEU 322 Ca 0.00 -0.85 0.17 0.00 -1.03 0.00 0.00 54.13 52.42 3jwy s LEU 322 Cb 0.00 -2.48 0.94 0.00 0.03 0.00 0.00 46.19 44.68 3jwy s LEU 322 CO 0.00 -1.59 1.90 -0.33 0.23 0.00 0.00 176.35 176.56 3jwy h GLU 323 N 9.73 0.00 0.00 1.70 5.08 -1.92 -2.60 114.58 126.57 3jwy h GLU 323 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3jwy h GLU 323 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3jwy h GLU 323 CO 1.23 0.28 0.00 0.11 -1.00 0.00 0.00 179.01 179.63 3jwy h TRP 324 N 0.00 0.00 -0.73 4.33 5.08 -1.95 -3.32 115.95 119.36 3jwy h TRP 324 Ca -0.00 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.00 3jwy h TRP 324 Cb 0.56 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.67 3jwy h TRP 324 CO 0.00 0.00 0.46 0.35 -1.28 0.00 0.00 178.44 177.97 3jwy h PHE 325 N 0.00 0.86 -0.79 0.12 3.04 -1.83 -0.62 116.94 117.72 3jwy h PHE 325 Ca 0.00 0.02 0.16 0.00 3.98 0.00 0.00 57.97 62.14 3jwy h PHE 325 Cb 0.55 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 3jwy h PHE 325 CO 0.00 0.49 0.53 0.00 -2.02 0.00 0.00 178.31 177.31 3jwy h ALA 326 N 1.31 2.16 0.00 2.41 0.00 -1.71 -1.68 119.26 121.75 3jwy h ALA 326 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3jwy h ALA 326 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3jwy h ALA 326 CO -0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 179.25 178.71 3jwy h ALA 327 N 1.64 1.06 0.00 0.00 0.00 -1.33 -2.60 119.26 118.02 3jwy h ALA 327 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3jwy h ALA 327 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3jwy h ALA 327 CO -0.13 0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.11 3jwy h LEU 328 N 0.00 0.00 0.99 0.00 4.07 -1.32 -3.46 115.31 115.59 3jwy h LEU 328 Ca -0.00 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.71 3jwy h LEU 328 Cb 0.37 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.04 3jwy h LEU 328 CO 0.01 0.00 -0.26 0.61 -1.08 0.00 0.00 178.44 177.71 3jwy n GLY 329 N -0.88 0.86 3.79 0.83 0.00 -0.98 -5.00 105.19 103.81 3jwy n GLY 329 Ca -0.02 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3jwy n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwy s LEU 330 N -3.10 3.88 0.19 0.99 1.43 -1.26 -4.96 118.68 115.84 3jwy s LEU 330 Ca 0.00 1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 54.83 3jwy s LEU 330 Cb 0.00 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.76 3jwy s LEU 330 CO 0.00 -0.77 0.62 0.00 0.23 0.00 0.00 176.35 176.43 3jwy s ARG 331 N -3.15 1.39 0.06 1.70 1.70 -1.26 -1.00 118.95 118.39 3jwy s ARG 331 Ca 0.66 -0.60 -0.07 0.00 -0.47 0.00 0.00 55.73 55.26 3jwy s ARG 331 Cb -0.17 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 3jwy s ARG 331 CO 0.21 -0.61 0.14 -0.46 -1.08 0.00 0.00 175.30 173.50 3jwy s TRP 332 N -3.79 0.18 0.52 5.89 -0.11 -1.01 -4.94 118.94 115.69 3jwy s TRP 332 Ca 0.03 -0.55 -0.13 0.00 1.22 0.00 0.00 56.10 56.67 3jwy s TRP 332 Cb -0.02 -0.11 -0.06 0.00 -1.50 0.00 0.00 33.47 31.78 3jwy s TRP 332 CO -0.08 -0.46 0.95 1.52 -4.62 0.00 0.00 176.95 174.26 3jwy s TYR 333 N -3.27 3.52 0.15 5.86 -0.85 -1.26 -0.15 117.35 121.34 3jwy s TYR 333 Ca 0.01 1.29 -0.06 0.00 -0.52 0.00 0.00 57.07 57.79 3jwy s TYR 333 Cb 0.02 -2.67 -0.02 0.00 0.38 0.00 0.00 41.96 39.67 3jwy s TYR 333 CO -0.08 -0.41 1.39 0.00 -1.52 0.00 0.00 175.55 174.93 3jwy h ALA 334 N 0.55 0.49 -3.14 9.51 0.00 -1.16 -3.45 119.26 122.06 3jwy h ALA 334 Ca -0.46 -0.61 -0.70 0.00 0.00 0.00 0.00 54.91 53.15 3jwy h ALA 334 Cb 1.19 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 3jwy h ALA 334 CO 0.62 0.73 -0.60 -1.17 0.00 0.00 0.00 179.25 178.84 3jwy s LEU 335 N -8.12 4.37 -0.41 0.00 2.96 -1.26 -4.50 118.68 111.72 3jwy s LEU 335 Ca -0.07 -1.18 -0.27 0.00 -0.22 0.00 0.00 54.13 52.39 3jwy s LEU 335 Cb 0.10 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3jwy s LEU 335 CO 0.86 -0.34 0.98 -2.16 -1.32 0.00 0.00 176.35 174.37 3jwy s PRO 336 N 1.40 3.75 -0.32 0.98 0.04 -1.26 -4.69 135.00 134.89 3jwy s PRO 336 Ca -0.01 0.50 -0.00 0.00 0.04 0.00 0.00 61.00 61.53 3jwy s PRO 336 Cb -0.20 -3.85 0.10 0.00 0.04 0.00 0.00 34.50 30.60 3jwy s PRO 336 CO 0.03 -1.10 0.11 0.00 0.04 0.00 0.00 177.00 176.07 3jwy s ALA 337 N 3.76 1.64 0.02 8.56 0.00 -1.26 -3.00 121.76 131.48 3jwy s ALA 337 Ca 0.40 -1.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 3jwy s ALA 337 Cb -0.10 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 3jwy s ALA 337 CO 0.23 -1.72 1.26 0.08 0.00 0.00 0.00 175.76 175.61 3jwy s VAL 338 N 1.45 3.97 0.00 0.00 1.01 0.35 -1.64 120.40 125.55 3jwy s VAL 338 Ca 0.11 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3jwy s VAL 338 Cb -0.18 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3jwy s VAL 338 CO -0.22 0.05 0.38 -1.54 0.00 0.00 0.00 175.10 173.78 3jwy n SER 339 N 4.60 0.76 -0.24 3.32 3.41 0.02 -1.46 113.62 124.04 3jwy n SER 339 Ca 0.11 -0.91 0.05 0.00 -0.26 0.00 0.00 58.87 57.85 3jwy n SER 339 Cb 0.45 0.15 0.10 0.00 -0.26 0.00 0.00 64.21 64.65 3jwy n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jwy n ASN 340 N -0.15 2.49 -4.87 4.04 2.04 -1.24 -4.45 115.26 113.11 3jwy n ASN 340 Ca 0.00 -2.42 -0.32 0.00 -0.44 0.00 0.00 54.58 51.40 3jwy n ASN 340 Cb 0.02 -0.22 -0.05 0.00 -2.53 0.00 0.00 39.78 36.99 3jwy n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jwy s MET 341 N -1.74 3.80 -0.13 -3.83 -1.94 -1.26 -4.38 119.30 109.81 3jwy s MET 341 Ca 0.18 0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 54.27 3jwy s MET 341 Cb 0.14 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 3jwy s MET 341 CO 0.05 0.33 0.38 -1.17 -0.01 0.00 0.00 175.02 174.60 3jwy s LEU 342 N -2.78 4.28 -0.39 -0.03 0.20 0.34 -4.36 118.68 115.94 3jwy s LEU 342 Ca 0.47 0.67 -0.14 0.00 0.69 0.00 0.00 54.13 55.82 3jwy s LEU 342 Cb -0.11 -2.53 0.01 0.00 -0.43 0.00 0.00 46.19 43.13 3jwy s LEU 342 CO 0.21 0.07 0.27 -0.22 -0.29 0.00 0.00 176.35 176.40 3jwy s LEU 343 N 0.41 4.90 -0.20 -0.68 2.96 -0.82 0.03 118.68 125.29 3jwy s LEU 343 Ca 0.21 -0.78 -0.10 0.00 -0.22 0.00 0.00 54.13 53.25 3jwy s LEU 343 Cb -0.14 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 3jwy s LEU 343 CO 0.07 -0.38 0.12 -0.70 -1.32 0.00 0.00 176.35 174.14 3jwy s GLU 344 N 1.68 4.16 -0.07 1.98 -6.30 0.19 -0.72 118.70 119.62 3jwy s GLU 344 Ca 0.05 -0.23 -0.03 0.00 -2.50 0.00 0.00 54.97 52.26 3jwy s GLU 344 Cb -0.19 -3.40 0.04 0.00 0.00 0.00 0.00 34.13 30.59 3jwy s GLU 344 CO 0.10 0.29 0.09 0.42 0.02 0.00 0.00 175.26 176.18 3jwy s ILE 345 N 0.37 -0.14 -1.39 -3.70 1.01 -0.43 -1.69 121.20 115.23 3jwy s ILE 345 Ca 0.07 0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.95 3jwy s ILE 345 Cb -0.11 -0.25 0.06 0.00 0.01 0.00 0.00 42.46 42.17 3jwy s ILE 345 CO -0.02 0.10 0.60 0.61 0.00 0.00 0.00 174.94 176.23 3jwy n GLY 346 N 5.30 -0.49 2.48 6.18 0.00 -1.26 -0.77 105.19 116.63 3jwy n GLY 346 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3jwy n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwy n GLY 347 N -1.33 3.14 3.77 -0.02 0.00 -1.26 -3.11 105.19 106.38 3jwy n GLY 347 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3jwy n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwy s LEU 348 N 0.00 4.35 -0.20 0.99 1.43 0.05 -5.04 118.68 120.26 3jwy s LEU 348 Ca 0.00 2.22 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 3jwy s LEU 348 Cb 0.00 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.38 3jwy s LEU 348 CO 0.00 -0.37 -0.14 -1.61 0.23 0.00 0.00 176.35 174.47 3jwy s GLU 349 N -1.95 2.38 -0.68 1.70 2.02 -1.26 -1.32 118.70 119.60 3jwy s GLU 349 Ca 0.51 -0.93 -0.14 0.00 0.02 0.00 0.00 54.97 54.43 3jwy s GLU 349 Cb -0.29 -2.54 0.17 0.00 0.10 0.00 0.00 34.13 31.58 3jwy s GLU 349 CO 0.37 -0.38 0.62 -0.06 0.02 0.00 0.00 175.26 175.82 3jwy s PHE 350 N 1.31 3.51 0.32 1.61 0.40 0.10 -0.57 117.98 124.66 3jwy s PHE 350 Ca -0.01 -1.71 0.26 0.00 -0.60 0.00 0.00 56.93 54.87 3jwy s PHE 350 Cb -0.16 -3.77 1.27 0.00 0.51 0.00 0.00 43.02 40.87 3jwy s PHE 350 CO -0.09 -1.00 1.99 0.66 0.70 0.00 0.00 175.22 177.48 3jwy h SER 351 N 8.26 0.00 -3.57 1.36 4.64 -1.81 -2.17 113.55 120.27 3jwy h SER 351 Ca -0.09 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.60 3jwy h SER 351 Cb 1.06 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.76 3jwy h SER 351 CO 0.88 0.16 -0.76 0.00 -0.87 0.00 0.00 176.83 176.24 3jwy s ALA 352 N -4.00 2.22 -0.46 5.18 0.00 -1.22 -4.66 121.76 118.82 3jwy s ALA 352 Ca -0.02 -1.84 0.06 0.00 0.00 0.00 0.00 51.96 50.17 3jwy s ALA 352 Cb 0.12 -1.66 0.22 0.00 0.00 0.00 0.00 23.12 21.80 3jwy s ALA 352 CO 0.60 -1.46 0.68 0.00 0.00 0.00 0.00 175.76 175.59 3jwy n ALA 353 N 4.55 -0.06 -1.77 0.00 0.00 -1.26 -1.71 120.51 120.27 3jwy n ALA 353 Ca -0.05 -1.99 -0.39 0.00 0.00 0.00 0.00 53.44 51.01 3jwy n ALA 353 Cb 0.43 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 3jwy n ALA 353 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jwy s PRO 354 N 0.24 4.17 0.09 0.00 0.04 -1.12 -4.72 135.00 133.71 3jwy s PRO 354 Ca 0.32 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.35 3jwy s PRO 354 Cb 0.13 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 3jwy s PRO 354 CO -0.16 -0.25 -0.07 -0.59 0.04 0.00 0.00 177.00 175.96 3jwy s PHE 355 N -1.30 0.86 0.05 0.56 -0.12 -0.54 -1.71 117.98 115.78 3jwy s PHE 355 Ca 0.54 -0.80 -0.14 0.00 -0.05 0.00 0.00 56.93 56.48 3jwy s PHE 355 Cb -0.34 -0.50 0.02 0.00 -0.63 0.00 0.00 43.02 41.58 3jwy s PHE 355 CO 0.43 -0.12 0.32 -1.54 -0.05 0.00 0.00 175.22 174.26 3jwy s SER 356 N -2.66 -0.14 0.00 1.98 1.04 0.01 -0.50 113.70 113.42 3jwy s SER 356 Ca 0.06 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.31 3jwy s SER 356 Cb 0.01 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3jwy s SER 356 CO -0.03 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3jwy n GLY 357 N 0.51 4.77 3.20 7.32 0.00 -1.16 -1.81 105.19 118.02 3jwy n GLY 357 Ca -0.18 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 3jwy n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jwy s TRP 358 N 3.81 1.04 0.49 1.61 -2.14 -1.26 -4.50 118.94 117.98 3jwy s TRP 358 Ca 0.00 -0.96 -0.21 0.00 2.66 0.00 0.00 56.10 57.59 3jwy s TRP 358 Cb 0.00 -0.59 -0.07 0.00 -3.10 0.00 0.00 33.47 29.70 3jwy s TRP 358 CO 0.00 -0.17 1.10 0.71 -2.66 0.00 0.00 176.95 175.92 3jwy s TYR 359 N -3.63 2.90 -0.04 1.66 2.02 -1.26 -4.92 117.35 114.08 3jwy s TYR 359 Ca 0.17 1.57 -0.16 0.00 -0.37 0.00 0.00 57.07 58.28 3jwy s TYR 359 Cb 0.05 -3.21 -0.05 0.00 -0.40 0.00 0.00 41.96 38.35 3jwy s TYR 359 CO -0.01 -1.18 0.42 1.41 -1.57 0.00 0.00 175.55 174.62 3jwy s MET 360 N -3.03 4.07 0.41 -0.62 -2.45 -1.26 -1.51 119.30 114.92 3jwy s MET 360 Ca 0.67 0.40 0.07 0.00 -1.25 0.00 0.00 55.69 55.58 3jwy s MET 360 Cb -0.22 -3.30 0.85 0.00 1.25 0.00 0.00 34.83 33.41 3jwy s MET 360 CO 0.26 0.50 2.06 0.66 1.05 0.00 0.00 175.02 179.55 3jwy h SER 361 N 5.43 0.48 0.07 1.11 4.64 -1.01 -1.44 113.55 122.82 3jwy h SER 361 Ca -0.48 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3jwy h SER 361 Cb 1.20 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3jwy h SER 361 CO 0.67 0.35 -0.05 0.71 -0.87 0.00 0.00 176.83 177.64 3jwy h THR 362 N 0.57 0.84 -0.90 2.95 1.35 -1.93 0.30 112.91 116.08 3jwy h THR 362 Ca 0.16 -0.17 0.02 0.00 -0.55 0.00 0.00 66.41 65.87 3jwy h THR 362 Cb -0.05 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 67.42 3jwy h THR 362 CO -0.03 0.05 0.59 -0.33 -0.25 0.00 0.00 175.52 175.54 3jwy h GLU 363 N 0.00 1.15 0.00 4.72 5.08 -1.66 0.68 114.58 124.55 3jwy h GLU 363 Ca -0.00 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3jwy h GLU 363 Cb 0.09 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3jwy h GLU 363 CO 0.01 0.76 -0.56 0.82 -1.00 0.00 0.00 179.01 179.04 3jwy h ILE 364 N 1.19 0.55 -0.18 3.13 2.04 -1.62 -1.54 117.51 121.09 3jwy h ILE 364 Ca 0.34 -1.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 3jwy h ILE 364 Cb -0.09 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3jwy h ILE 364 CO -0.09 0.19 -0.34 1.23 0.00 0.00 0.00 178.15 179.14 3jwy h GLY 365 N -1.00 0.40 0.00 5.37 0.00 -0.98 -1.65 103.07 105.21 3jwy h GLY 365 Ca -0.11 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 3jwy h GLY 365 CO -0.06 0.32 -1.33 2.41 0.00 0.00 0.00 176.54 177.88 3jwy n THR 366 N -4.07 1.50 0.08 4.70 -1.04 0.18 -4.22 114.28 111.41 3jwy n THR 366 Ca -0.01 0.01 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3jwy n THR 366 Cb 0.45 -2.22 -0.02 0.00 -1.82 0.00 0.00 70.33 66.71 3jwy n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3jwy h ARG 367 N -1.00 -0.30 -0.71 -2.82 2.47 -1.45 -1.38 114.38 109.19 3jwy h ARG 367 Ca -0.19 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.52 3jwy h ARG 367 Cb 1.10 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.46 3jwy h ARG 367 CO -0.12 -0.20 0.32 -0.91 0.56 0.00 0.00 179.97 179.63 3jwy h ASN 368 N -1.08 0.93 0.30 7.04 2.35 -1.21 -1.40 115.58 122.51 3jwy h ASN 368 Ca -0.03 -0.11 -0.33 0.00 -0.55 0.00 0.00 56.30 55.28 3jwy h ASN 368 Cb 0.24 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3jwy h ASN 368 CO 0.05 0.80 -1.92 0.18 -1.65 0.00 0.00 177.43 174.89 3jwy n LEU 369 N -4.32 1.42 -0.00 1.61 4.77 -0.63 -2.59 117.00 117.26 3jwy n LEU 369 Ca 0.07 0.28 0.07 0.00 -0.03 0.00 0.00 56.01 56.39 3jwy n LEU 369 Cb 0.15 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 3jwy n LEU 369 CO 0.39 0.57 -0.37 0.00 -1.33 0.00 0.00 177.39 176.65 3jwy n ASP 371 N -1.67 1.73 0.21 0.00 9.92 -0.53 -4.52 116.55 121.69 3jwy n ASP 371 Ca -0.00 1.13 0.05 0.00 -0.53 0.00 0.00 54.79 55.44 3jwy n ASP 371 Cb 0.29 -1.37 0.47 0.00 -0.64 0.00 0.00 41.12 39.87 3jwy n ASP 371 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3jwy h PRO 372 N 1.98 0.00 -0.58 -0.24 0.11 -1.94 -2.42 132.00 128.91 3jwy h PRO 372 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3jwy h PRO 372 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3jwy h PRO 372 CO 0.60 0.24 0.00 -2.39 -0.21 0.00 0.00 178.00 176.24 3jwy n HIS 373 N -4.17 0.78 0.00 0.65 1.44 -1.26 -4.65 115.22 108.01 3jwy n HIS 373 Ca -0.02 -0.39 0.00 0.00 -2.01 0.00 0.00 57.72 55.30 3jwy n HIS 373 Cb 0.30 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.41 3jwy n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3jwy n ARG 374 N 1.25 0.68 0.21 -1.40 5.12 -0.94 -4.32 116.66 117.26 3jwy n ARG 374 Ca 0.20 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.19 3jwy n ARG 374 Cb 0.51 0.00 0.43 0.00 -1.16 0.00 0.00 32.46 32.23 3jwy n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jwy h TYR 375 N 0.00 0.00 -5.89 -1.55 -1.99 -1.63 -3.42 116.97 102.49 3jwy h TYR 375 Ca 0.00 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.35 3jwy h TYR 375 Cb 0.00 0.00 0.11 0.00 2.00 0.00 0.00 36.73 38.84 3jwy h TYR 375 CO 0.00 0.30 -0.79 -1.71 -0.00 0.00 0.00 178.16 175.95 3jwy n ASN 376 N -3.56 -1.93 -0.56 3.88 4.05 -0.48 -4.89 115.26 111.77 3jwy n ASN 376 Ca -0.01 -0.72 0.13 0.00 0.45 0.00 0.00 54.58 54.44 3jwy n ASN 376 Cb 0.44 -4.57 0.29 0.00 1.23 0.00 0.00 39.78 37.17 3jwy n ASN 376 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jwy n ILE 377 N -4.26 0.00 -0.15 -1.44 -5.35 -0.51 -4.50 119.36 103.15 3jwy n ILE 377 Ca -0.27 -0.29 -0.05 0.00 -0.27 0.00 0.00 62.75 61.87 3jwy n ILE 377 Cb 0.66 0.88 0.01 0.00 -1.74 0.00 0.00 39.64 39.45 3jwy n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3jwy h LEU 378 N 2.75 -0.91 -0.56 7.28 5.85 -1.86 -1.70 115.31 126.17 3jwy h LEU 378 Ca 0.00 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3jwy h LEU 378 Cb 0.68 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3jwy h LEU 378 CO 0.00 -0.28 0.30 -0.08 -0.34 0.00 0.00 178.44 178.04 3jwy h GLU 379 N -0.17 0.78 -0.25 1.25 4.81 -1.98 -0.86 114.58 118.17 3jwy h GLU 379 Ca 0.21 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3jwy h GLU 379 Cb 0.50 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3jwy h GLU 379 CO -0.57 0.61 0.04 -0.44 -0.73 0.00 0.00 179.01 177.93 3jwy h ASP 380 N 0.75 -0.01 -0.47 1.04 3.32 -1.68 0.01 116.42 119.38 3jwy h ASP 380 Ca 0.20 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 3jwy h ASP 380 Cb 0.07 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3jwy h ASP 380 CO -0.03 0.03 -0.20 0.58 -1.72 0.00 0.00 179.24 177.90 3jwy h VAL 381 N 0.13 1.27 -0.48 -1.35 2.07 -1.03 -1.86 116.25 115.01 3jwy h VAL 381 Ca 0.11 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 3jwy h VAL 381 Cb 0.12 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3jwy h VAL 381 CO -0.16 0.47 -0.03 0.00 0.02 0.00 0.00 177.57 177.87 3jwy h ALA 382 N 0.91 1.05 -0.42 1.67 0.00 -0.93 -0.33 119.26 121.20 3jwy h ALA 382 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3jwy h ALA 382 Cb 0.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3jwy h ALA 382 CO 0.06 0.59 0.19 0.28 0.00 0.00 0.00 179.25 180.37 3jwy h VAL 383 N 0.75 1.19 -0.57 0.00 2.07 -0.72 -0.55 116.25 118.42 3jwy h VAL 383 Ca 0.14 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3jwy h VAL 383 Cb 0.50 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3jwy h VAL 383 CO 0.03 0.21 0.38 0.00 0.02 0.00 0.00 177.57 178.20 3jwy n MET 385 N -4.45 0.57 -2.62 0.00 2.81 -0.17 -4.94 117.12 108.32 3jwy n MET 385 Ca 0.05 -0.05 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 3jwy n MET 385 Cb 0.05 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.07 3jwy n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jwy n ASP 386 N -1.17 -4.92 -4.87 7.83 2.03 -0.37 -5.01 116.55 110.07 3jwy n ASP 386 Ca 0.16 -0.14 -0.30 0.00 0.52 0.00 0.00 54.79 55.03 3jwy n ASP 386 Cb 0.23 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 3jwy n ASP 386 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jwy s LEU 387 N -4.93 3.35 -0.86 -2.67 1.43 -0.33 -4.99 118.68 109.68 3jwy s LEU 387 Ca 0.14 1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 54.33 3jwy s LEU 387 Cb -0.06 -4.36 0.04 0.00 0.03 0.00 0.00 46.19 41.84 3jwy s LEU 387 CO 0.17 -0.78 1.34 -0.62 0.23 0.00 0.00 176.35 176.68 3jwy s ASP 388 N -4.04 6.32 0.00 2.29 2.15 -1.26 -4.77 116.67 117.36 3jwy s ASP 388 Ca 0.54 -0.94 0.21 0.00 0.43 0.00 0.00 52.55 52.80 3jwy s ASP 388 Cb -0.11 -2.56 1.23 0.00 -0.30 0.00 0.00 42.92 41.19 3jwy s ASP 388 CO 0.50 -1.67 1.80 0.35 -0.17 0.00 0.00 175.17 175.98 3jwy n THR 389 N 6.56 0.02 0.63 1.71 -2.24 -1.26 -3.77 114.28 115.92 3jwy n THR 389 Ca 0.16 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 3jwy n THR 389 Cb 0.50 -0.26 0.17 0.00 -2.10 0.00 0.00 70.33 68.63 3jwy n THR 389 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jwy n ARG 390 N -0.73 0.25 -4.32 -0.78 3.00 -1.26 -4.86 116.66 107.97 3jwy n ARG 390 Ca 0.16 0.07 -0.20 0.00 -0.01 0.00 0.00 57.85 57.87 3jwy n ARG 390 Cb 0.10 -1.65 -0.16 0.00 0.00 0.00 0.00 32.46 30.75 3jwy n ARG 390 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3jwy s THR 391 N -3.15 0.70 0.33 0.55 -1.32 -1.25 -5.04 115.64 106.47 3jwy s THR 391 Ca 0.07 -0.30 0.02 0.00 -1.21 0.00 0.00 61.69 60.27 3jwy s THR 391 Cb 0.14 -0.64 0.22 0.00 -1.51 0.00 0.00 72.50 70.71 3jwy s THR 391 CO 0.72 0.23 1.95 0.71 -2.21 0.00 0.00 174.62 176.02 3jwy h THR 392 N 5.54 1.18 0.00 5.08 1.35 -1.89 -3.10 112.91 121.07 3jwy h THR 392 Ca -0.34 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3jwy h THR 392 Cb 1.17 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3jwy h THR 392 CO 0.49 0.21 0.00 -1.54 -0.25 0.00 0.00 175.52 174.42 3jwy n SER 393 N -4.38 0.00 0.03 5.36 3.41 -1.26 -1.60 113.62 115.18 3jwy n SER 393 Ca 0.05 -0.93 0.13 0.00 -0.26 0.00 0.00 58.87 57.86 3jwy n SER 393 Cb 0.12 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.59 3jwy n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jwy n SER 394 N -0.97 0.20 -2.72 4.04 3.41 -1.17 -4.92 113.62 111.49 3jwy n SER 394 Ca 0.20 0.52 -0.19 0.00 -0.26 0.00 0.00 58.87 59.14 3jwy n SER 394 Cb 0.09 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3jwy n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwy n LEU 395 N -1.69 -1.89 -0.35 1.04 4.77 -0.63 -4.90 117.00 113.36 3jwy n LEU 395 Ca 0.06 -0.09 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3jwy n LEU 395 Cb 0.33 -2.63 0.15 0.00 -2.33 0.00 0.00 43.42 38.94 3jwy n LEU 395 CO 0.25 -0.02 1.25 4.11 -1.33 0.00 0.00 177.39 181.65 3jwy h TRP 396 N -0.53 1.14 -0.55 -1.77 5.08 -1.84 -1.74 115.95 115.75 3jwy h TRP 396 Ca -0.44 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.54 3jwy h TRP 396 Cb 1.32 -0.37 -0.03 0.00 -3.00 0.00 0.00 29.16 27.08 3jwy h TRP 396 CO 0.60 0.61 0.30 0.87 -1.28 0.00 0.00 178.44 179.54 3jwy h LYS 397 N 1.14 0.78 -0.71 0.12 1.57 -1.90 -1.88 116.57 115.68 3jwy h LYS 397 Ca 0.40 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 3jwy h LYS 397 Cb 0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3jwy h LYS 397 CO -0.16 0.61 0.19 -0.44 -0.57 0.00 0.00 179.45 179.08 3jwy h ASP 398 N 0.74 1.07 -0.28 0.86 5.19 -1.78 -2.00 116.42 120.23 3jwy h ASP 398 Ca 0.19 -0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.30 3jwy h ASP 398 Cb 0.06 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 3jwy h ASP 398 CO -0.03 1.01 -0.17 0.11 -3.12 0.00 0.00 179.24 177.04 3jwy h LYS 399 N 1.08 0.60 -0.36 3.56 1.57 -1.21 -2.32 116.57 119.48 3jwy h LYS 399 Ca 0.23 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3jwy h LYS 399 Cb 0.35 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3jwy h LYS 399 CO -0.00 0.86 -0.06 0.00 -0.57 0.00 0.00 179.45 179.68 3jwy h ALA 400 N 0.73 0.50 -0.70 3.86 0.00 -1.28 -2.86 119.26 119.50 3jwy h ALA 400 Ca 0.06 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3jwy h ALA 400 Cb 0.70 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3jwy h ALA 400 CO 0.05 0.32 0.44 0.00 0.00 0.00 0.00 179.25 180.06 3jwy h ALA 401 N 0.84 0.91 -0.61 0.00 0.00 -1.34 -0.78 119.26 118.28 3jwy h ALA 401 Ca 0.10 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3jwy h ALA 401 Cb 0.55 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3jwy h ALA 401 CO 0.03 0.21 0.32 0.28 0.00 0.00 0.00 179.25 180.09 3jwy h VAL 402 N 0.86 0.94 -0.30 0.00 2.07 -1.32 -0.14 116.25 118.37 3jwy h VAL 402 Ca 0.28 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 3jwy h VAL 402 Cb 0.02 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3jwy h VAL 402 CO -0.11 0.11 -0.38 -0.33 0.02 0.00 0.00 177.57 176.88 3jwy h GLU 403 N 0.59 0.78 -0.59 1.57 4.39 -1.14 -0.02 114.58 120.15 3jwy h GLU 403 Ca 0.28 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.55 3jwy h GLU 403 Cb 0.20 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3jwy h GLU 403 CO -0.19 1.07 0.37 0.82 -1.16 0.00 0.00 179.01 179.92 3jwy h ILE 404 N 0.54 1.09 -0.74 3.13 2.04 -1.01 0.15 117.51 122.71 3jwy h ILE 404 Ca 0.04 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3jwy h ILE 404 Cb 0.97 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3jwy h ILE 404 CO 0.09 0.13 0.41 0.78 0.00 0.00 0.00 178.15 179.57 3jwy h ASN 405 N 0.73 0.92 -0.15 1.72 2.35 -0.73 -1.44 115.58 118.98 3jwy h ASN 405 Ca 0.23 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3jwy h ASN 405 Cb -0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3jwy h ASN 405 CO -0.09 0.75 -0.17 0.25 -1.65 0.00 0.00 177.43 176.52 3jwy h LEU 406 N 1.02 0.54 -0.62 1.61 5.85 -0.54 -2.55 115.31 120.62 3jwy h LEU 406 Ca 0.26 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3jwy h LEU 406 Cb 0.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3jwy h LEU 406 CO -0.04 0.73 0.12 0.00 -0.34 0.00 0.00 178.44 178.91 3jwy h ALA 407 N 1.32 0.83 -0.09 1.25 0.00 -0.15 0.10 119.26 122.51 3jwy h ALA 407 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jwy h ALA 407 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3jwy h ALA 407 CO 0.04 0.57 0.06 0.28 0.00 0.00 0.00 179.25 180.20 3jwy h VAL 408 N 0.93 1.03 0.13 0.00 2.07 -1.00 0.71 116.25 120.13 3jwy h VAL 408 Ca 0.19 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3jwy h VAL 408 Cb 0.40 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3jwy h VAL 408 CO 0.01 0.03 -0.06 -0.07 0.02 0.00 0.00 177.57 177.50 3jwy h LEU 409 N 0.11 -0.15 -0.85 2.57 3.38 -1.22 -1.94 115.31 117.21 3jwy h LEU 409 Ca 0.03 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3jwy h LEU 409 Cb 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3jwy h LEU 409 CO -0.01 -0.07 0.55 -0.74 0.09 0.00 0.00 178.44 178.26 3jwy h HIS 410 N -0.22 1.02 -0.29 1.13 2.76 -0.87 -1.38 115.15 117.31 3jwy h HIS 410 Ca -0.02 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.06 3jwy h HIS 410 Cb 0.17 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 3jwy h HIS 410 CO -0.06 0.58 -0.30 0.77 -1.30 0.00 0.00 177.93 177.62 3jwy h SER 411 N 1.05 0.76 -0.63 3.26 0.02 -0.67 -0.62 113.55 116.73 3jwy h SER 411 Ca 0.34 -0.48 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 3jwy h SER 411 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3jwy h SER 411 CO -0.12 1.08 0.07 -0.26 -1.14 0.00 0.00 176.83 176.46 3jwy h PHE 412 N 0.46 1.14 -0.17 3.45 -1.00 -1.23 -1.10 116.94 118.50 3jwy h PHE 412 Ca 0.04 -0.17 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 3jwy h PHE 412 Cb 0.87 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 3jwy h PHE 412 CO 0.07 0.98 0.06 1.96 -1.61 0.00 0.00 178.31 179.77 3jwy h GLN 413 N 0.97 0.25 -0.66 1.51 4.20 -1.15 0.13 115.11 120.36 3jwy h GLN 413 Ca 0.19 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.92 3jwy h GLN 413 Cb 0.48 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 3jwy h GLN 413 CO 0.02 0.35 0.33 1.25 -0.67 0.00 0.00 178.83 180.12 3jwy h LEU 414 N 0.10 0.45 0.00 1.46 5.85 -1.05 -1.71 115.31 120.42 3jwy h LEU 414 Ca 0.05 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3jwy h LEU 414 Cb 0.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3jwy h LEU 414 CO -0.00 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.37 3jwy n ALA 415 N -2.39 2.36 -3.47 1.25 0.00 -0.42 -4.90 120.51 112.94 3jwy n ALA 415 Ca 0.09 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 3jwy n ALA 415 Cb 0.22 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.31 3jwy n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3jwy n LYS 416 N -1.28 -7.08 -4.51 0.00 4.76 -0.32 -4.99 118.16 104.74 3jwy n LYS 416 Ca 0.13 0.79 -0.33 0.00 -2.87 0.00 0.00 58.31 56.02 3jwy n LYS 416 Cb 0.21 -5.69 -0.14 0.00 -1.84 0.00 0.00 35.03 27.58 3jwy n LYS 416 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3jwy s VAL 417 N -3.32 3.35 0.16 -0.18 1.01 -0.12 -4.26 120.40 117.05 3jwy s VAL 417 Ca 0.36 -0.54 -0.34 0.00 0.00 0.00 0.00 61.98 61.45 3jwy s VAL 417 Cb -0.16 -2.45 -0.15 0.00 0.00 0.00 0.00 36.38 33.63 3jwy s VAL 417 CO 0.69 0.50 1.46 0.41 0.00 0.00 0.00 175.10 178.15 3jwy n THR 418 N 3.76 0.23 -3.62 3.92 -1.04 -0.23 -4.35 114.28 112.95 3jwy n THR 418 Ca -0.18 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.64 3jwy n THR 418 Cb 0.52 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.69 3jwy n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jwy s ILE 419 N 0.55 0.04 -0.05 12.58 2.07 -1.26 -4.39 121.20 130.73 3jwy s ILE 419 Ca 0.78 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.70 3jwy s ILE 419 Cb -0.76 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 40.88 3jwy s ILE 419 CO 0.43 -0.19 -0.13 0.54 -1.91 0.00 0.00 174.94 173.68 3jwy s VAL 420 N -2.42 1.16 0.79 4.00 0.11 -0.57 -5.00 120.40 118.48 3jwy s VAL 420 Ca -0.06 -0.54 -0.12 0.00 -2.93 0.00 0.00 61.98 58.34 3jwy s VAL 420 Cb -0.01 -1.03 0.07 0.00 -1.53 0.00 0.00 36.38 33.88 3jwy s VAL 420 CO -0.02 0.35 1.10 1.51 -3.33 0.00 0.00 175.10 174.71 3jwy s ASP 421 N 0.35 4.55 0.55 3.54 1.47 -1.26 -0.37 116.67 125.49 3jwy s ASP 421 Ca -0.08 1.26 0.33 0.00 1.18 0.00 0.00 52.55 55.24 3jwy s ASP 421 Cb -0.13 -1.99 1.40 0.00 -0.34 0.00 0.00 42.92 41.86 3jwy s ASP 421 CO 0.03 -1.92 2.00 1.12 0.68 0.00 0.00 175.17 177.07 3jwy h HIS 422 N -1.06 0.00 0.00 2.11 -0.00 -1.97 -2.05 115.15 112.18 3jwy h HIS 422 Ca -0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 59.85 3jwy h HIS 422 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3jwy h HIS 422 CO 0.46 0.04 -0.21 0.45 -0.00 0.00 0.00 177.93 178.66 3jwy h HIS 423 N 0.00 0.21 -0.42 6.12 3.86 -1.97 -3.06 115.15 119.88 3jwy h HIS 423 Ca -0.00 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 58.97 3jwy h HIS 423 Cb 0.49 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3jwy h HIS 423 CO 0.00 0.93 -0.23 0.00 0.86 0.00 0.00 177.93 179.49 3jwy h ALA 424 N 0.23 0.80 -0.34 2.45 0.00 -1.92 -1.71 119.26 118.77 3jwy h ALA 424 Ca -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3jwy h ALA 424 Cb 0.99 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3jwy h ALA 424 CO 0.04 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.10 3jwy h ALA 425 N 0.99 0.43 -0.16 0.00 0.00 -1.50 -1.16 119.26 117.88 3jwy h ALA 425 Ca 0.10 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3jwy h ALA 425 Cb 0.77 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3jwy h ALA 425 CO 0.06 -0.00 -0.67 1.79 0.00 0.00 0.00 179.25 180.43 3jwy h THR 426 N 0.41 1.32 -0.55 0.00 1.35 -1.47 -0.53 112.91 113.44 3jwy h THR 426 Ca 0.12 -1.94 0.07 0.00 -0.55 0.00 0.00 66.41 64.10 3jwy h THR 426 Cb 0.12 1.92 -0.06 0.00 -1.73 0.00 0.00 68.15 68.40 3jwy h THR 426 CO -0.01 0.60 0.25 0.58 -0.25 0.00 0.00 175.52 176.69 3jwy h VAL 427 N 0.44 0.88 0.00 6.82 2.07 -1.19 -1.34 116.25 123.92 3jwy h VAL 427 Ca -0.02 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3jwy h VAL 427 Cb 1.25 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3jwy h VAL 427 CO 0.13 0.09 -0.40 0.77 0.02 0.00 0.00 177.57 178.18 3jwy h SER 428 N 0.47 0.00 0.17 0.57 4.64 -1.03 -2.37 113.55 116.00 3jwy h SER 428 Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 3jwy h SER 428 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3jwy h SER 428 CO -0.22 0.40 -0.36 0.15 -0.87 0.00 0.00 176.83 175.92 3jwy h PHE 429 N 0.00 0.31 -0.36 4.77 3.57 -0.20 -1.07 116.94 123.96 3jwy h PHE 429 Ca -0.00 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 3jwy h PHE 429 Cb 0.95 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 3jwy h PHE 429 CO 0.00 0.60 -0.12 0.52 -2.23 0.00 0.00 178.31 177.08 3jwy h MET 430 N 0.23 0.64 -0.49 1.11 2.86 -0.76 0.02 114.93 118.54 3jwy h MET 430 Ca 0.03 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 3jwy h MET 430 Cb 0.75 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3jwy h MET 430 CO 0.06 0.75 -0.05 -0.22 1.06 0.00 0.00 176.91 178.50 3jwy h LYS 431 N 0.59 0.90 -0.48 1.72 1.63 -1.20 -2.42 116.57 117.30 3jwy h LYS 431 Ca 0.10 -0.31 0.02 0.00 -0.85 0.00 0.00 60.65 59.61 3jwy h LYS 431 Cb 0.55 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 3jwy h LYS 431 CO 0.03 0.96 0.28 1.25 -3.45 0.00 0.00 179.45 178.52 3jwy h HIS 432 N 0.75 0.53 -0.57 1.91 2.76 -0.50 -0.80 115.15 119.23 3jwy h HIS 432 Ca 0.13 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 3jwy h HIS 432 Cb 0.58 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.31 3jwy h HIS 432 CO 0.04 0.30 0.20 -0.07 -1.30 0.00 0.00 177.93 177.11 3jwy h LEU 433 N 0.57 0.19 -0.65 0.26 3.38 -0.87 -1.04 115.31 117.15 3jwy h LEU 433 Ca 0.19 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3jwy h LEU 433 Cb 0.02 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3jwy h LEU 433 CO -0.09 0.12 0.19 -0.78 0.09 0.00 0.00 178.44 177.98 3jwy h ASP 434 N 0.38 0.95 -0.60 -0.43 3.58 -0.97 -1.08 116.42 118.25 3jwy h ASP 434 Ca 0.28 -0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.57 3jwy h ASP 434 Cb 0.34 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 3jwy h ASP 434 CO -0.29 0.91 0.34 0.78 -2.88 0.00 0.00 179.24 178.10 3jwy h ASN 435 N 0.94 0.52 1.12 2.28 2.35 -0.50 -2.85 115.58 119.44 3jwy h ASN 435 Ca 0.21 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.84 3jwy h ASN 435 Cb 0.31 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3jwy h ASN 435 CO -0.01 0.35 -0.64 -0.33 -1.65 0.00 0.00 177.43 175.16 3jwy h GLU 436 N 0.65 0.00 -0.23 0.81 4.39 -1.06 -0.59 114.58 118.56 3jwy h GLU 436 Ca 0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 3jwy h GLU 436 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3jwy h GLU 436 CO -0.15 0.64 0.13 0.37 -1.16 0.00 0.00 179.01 178.84 3jwy h GLN 437 N 0.00 0.31 -0.34 2.33 5.75 -1.10 0.20 115.11 122.26 3jwy h GLN 437 Ca -0.01 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 3jwy h GLN 437 Cb 1.37 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.84 3jwy h GLN 437 CO 0.08 0.26 -0.05 0.87 -2.65 0.00 0.00 178.83 177.35 3jwy h LYS 438 N 0.27 0.64 0.15 1.69 1.57 -1.31 -1.25 116.57 118.33 3jwy h LYS 438 Ca 0.08 -0.23 -0.29 0.00 -1.87 0.00 0.00 60.65 58.34 3jwy h LYS 438 Cb 0.04 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.32 3jwy h LYS 438 CO -0.01 0.79 -1.27 0.00 -0.57 0.00 0.00 179.45 178.38 3jwy h ALA 439 N 0.83 0.03 0.00 3.86 0.00 -0.99 -3.40 119.26 119.59 3jwy h ALA 439 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3jwy h ALA 439 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3jwy h ALA 439 CO 0.03 0.80 0.00 0.54 0.00 0.00 0.00 179.25 180.62 3jwy n ARG 440 N -3.68 2.42 -1.46 0.00 1.74 0.61 -5.04 116.66 111.25 3jwy n ARG 440 Ca -0.12 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3jwy n ARG 440 Cb 1.01 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 3jwy n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwy n GLY 441 N 0.36 0.39 0.00 -0.13 0.00 -0.47 -4.00 105.19 101.34 3jwy n GLY 441 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3jwy n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwy n GLY 442 N -2.04 -1.96 3.31 -0.02 0.00 -1.13 -1.28 105.19 102.07 3jwy n GLY 442 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 3jwy n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwy s PRO 444 N 2.71 4.33 -0.11 0.00 0.04 -1.26 -4.57 135.00 136.14 3jwy s PRO 444 Ca 0.02 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 3jwy s PRO 444 Cb -0.13 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.13 3jwy s PRO 444 CO -0.16 -0.44 0.29 0.00 0.04 0.00 0.00 177.00 176.74 3jwy s ALA 445 N 1.31 -0.72 -0.49 8.56 0.00 -0.21 -4.18 121.76 126.03 3jwy s ALA 445 Ca 0.64 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 3jwy s ALA 445 Cb -0.35 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.34 3jwy s ALA 445 CO 0.30 -0.15 0.41 0.34 0.00 0.00 0.00 175.76 176.65 3jwy s ASP 446 N 0.38 6.04 0.22 0.00 -1.08 -0.17 -3.80 116.67 118.26 3jwy s ASP 446 Ca -0.02 -1.60 -0.07 0.00 -0.52 0.00 0.00 52.55 50.34 3jwy s ASP 446 Cb -0.04 -2.15 0.33 0.00 -1.46 0.00 0.00 42.92 39.61 3jwy s ASP 446 CO -0.02 -0.72 1.77 -0.25 0.52 0.00 0.00 175.17 176.47 3jwy h TRP 447 N 8.72 0.58 0.00 -5.34 7.01 -1.92 0.59 115.95 125.59 3jwy h TRP 447 Ca -0.27 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.73 3jwy h TRP 447 Cb 1.10 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 3jwy h TRP 447 CO 0.67 0.20 -0.14 0.00 -2.79 0.00 0.00 178.44 176.37 3jwy h ALA 448 N 1.43 1.37 0.00 2.65 0.00 -1.93 -1.69 119.26 121.10 3jwy h ALA 448 Ca 0.34 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.83 3jwy h ALA 448 Cb 0.38 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3jwy h ALA 448 CO -0.28 0.18 -1.91 0.91 0.00 0.00 0.00 179.25 178.15 3jwy n TRP 449 N -3.80 0.64 -0.02 0.00 7.02 -0.53 -4.39 117.44 116.36 3jwy n TRP 449 Ca -0.02 0.23 -0.17 0.00 -1.02 0.00 0.00 57.50 56.52 3jwy n TRP 449 Cb 0.25 -1.09 -0.08 0.00 -2.42 0.00 0.00 31.31 27.96 3jwy n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jwy h ILE 450 N 0.00 1.31 -2.83 -0.99 1.08 -0.48 -3.44 117.51 112.16 3jwy h ILE 450 Ca -0.35 -1.93 -0.53 0.00 -0.39 0.00 0.00 64.86 61.66 3jwy h ILE 450 Cb 2.01 2.07 0.02 0.00 -3.07 0.00 0.00 36.82 37.84 3jwy h ILE 450 CO 0.06 0.60 0.88 -0.69 -0.69 0.00 0.00 178.15 178.31 3jwy s VAL 451 N -3.71 3.26 0.77 1.67 1.01 -0.68 -4.93 120.40 117.79 3jwy s VAL 451 Ca -0.11 0.77 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 3jwy s VAL 451 Cb 0.07 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 33.02 3jwy s VAL 451 CO 0.88 0.02 1.10 -2.84 0.00 0.00 0.00 175.10 174.26 3jwy s PRO 452 N 2.10 2.24 0.20 2.72 0.02 -1.26 -4.93 135.00 136.08 3jwy s PRO 452 Ca 0.68 1.24 0.25 0.00 0.02 0.00 0.00 61.00 63.20 3jwy s PRO 452 Cb -0.37 -1.89 0.89 0.00 0.02 0.00 0.00 34.50 33.15 3jwy s PRO 452 CO 0.30 -1.67 1.76 -0.35 -0.33 0.00 0.00 177.00 176.71 3jwy n PRO 453 N -3.41 0.21 -4.38 5.54 -0.04 -1.26 -4.18 135.00 127.49 3jwy n PRO 453 Ca 0.10 0.25 -0.25 0.00 -0.04 0.00 0.00 63.50 63.55 3jwy n PRO 453 Cb 0.53 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 32.10 3jwy n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3jwy s ILE 454 N -3.14 2.83 -1.47 0.52 -4.36 -1.26 -4.86 121.20 109.46 3jwy s ILE 454 Ca 0.09 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 3jwy s ILE 454 Cb 0.12 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.39 3jwy s ILE 454 CO 0.53 -0.25 0.00 -1.20 0.24 0.00 0.00 174.94 174.26 3jwy n SER 455 N -0.30 -4.84 -0.28 4.36 7.64 -1.26 -4.89 113.62 114.05 3jwy n SER 455 Ca -0.09 0.13 -0.07 0.00 1.01 0.00 0.00 58.87 59.86 3jwy n SER 455 Cb 0.58 -4.11 -0.07 0.00 -1.01 0.00 0.00 64.21 59.60 3jwy n SER 455 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jwy n GLY 456 N -0.83 -2.35 0.00 0.23 0.00 -1.26 -1.01 105.19 99.98 3jwy n GLY 456 Ca -0.19 0.91 0.13 0.00 0.00 0.00 0.00 46.02 46.87 3jwy n GLY 456 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwy n SER 457 N -4.57 0.00 0.07 1.61 3.41 -1.26 -2.08 113.62 110.80 3jwy n SER 457 Ca 0.01 -0.56 0.13 0.00 -0.26 0.00 0.00 58.87 58.19 3jwy n SER 457 Cb 0.17 -0.11 0.34 0.00 -0.26 0.00 0.00 64.21 64.35 3jwy n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwy n LEU 458 N -1.11 0.68 -4.84 1.04 4.32 -0.18 -4.83 117.00 112.08 3jwy n LEU 458 Ca 0.17 0.42 -0.29 0.00 -0.02 0.00 0.00 56.01 56.29 3jwy n LEU 458 Cb 0.14 -0.29 -0.05 0.00 -1.62 0.00 0.00 43.42 41.60 3jwy n LEU 458 CO 0.17 -0.11 -0.20 0.42 -1.22 0.00 0.00 177.39 176.45 3jwy s THR 459 N -3.11 4.87 0.29 -5.08 -4.23 -0.88 -5.02 115.64 102.48 3jwy s THR 459 Ca 0.10 -0.69 0.23 0.00 -1.18 0.00 0.00 61.69 60.14 3jwy s THR 459 Cb 0.14 -3.40 0.22 0.00 1.34 0.00 0.00 72.50 70.80 3jwy s THR 459 CO 0.64 0.07 1.91 1.55 -0.54 0.00 0.00 174.62 178.24 3jwy h PRO 460 N 2.96 0.00 0.00 3.99 0.13 -1.88 -3.03 132.00 134.17 3jwy h PRO 460 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 3jwy h PRO 460 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jwy h PRO 460 CO 0.69 0.23 -0.25 -0.39 -0.23 0.00 0.00 178.00 178.05 3jwy h VAL 461 N 0.00 1.05 -0.79 1.56 -1.51 -1.88 -2.82 116.25 111.86 3jwy h VAL 461 Ca -0.00 -0.88 0.13 0.00 -1.23 0.00 0.00 66.70 64.71 3jwy h VAL 461 Cb 0.60 1.49 -0.06 0.00 -2.13 0.00 0.00 31.29 31.19 3jwy h VAL 461 CO 0.03 0.24 0.52 0.15 -1.23 0.00 0.00 177.57 177.28 3jwy h PHE 462 N 0.00 0.67 -0.29 5.19 3.04 -1.71 -2.04 116.94 121.80 3jwy h PHE 462 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3jwy h PHE 462 Cb 0.47 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.77 3jwy h PHE 462 CO 0.00 0.28 0.00 0.72 -2.02 0.00 0.00 178.31 177.29 3jwy n HIS 463 N -4.51 0.37 -3.75 0.41 -0.00 -1.06 -4.83 115.22 101.85 3jwy n HIS 463 Ca 0.14 -0.18 -0.37 0.00 -0.00 0.00 0.00 57.72 57.31 3jwy n HIS 463 Cb 0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.30 3jwy n HIS 463 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3jwy s GLN 464 N -1.63 3.33 0.56 -0.41 2.00 -0.77 -0.35 119.66 122.38 3jwy s GLN 464 Ca 0.34 -0.70 -0.20 0.00 -2.00 0.00 0.00 55.36 52.80 3jwy s GLN 464 Cb 0.19 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.58 3jwy s GLN 464 CO 0.27 -0.35 1.21 -1.21 -0.50 0.00 0.00 175.29 174.72 3jwy s GLU 465 N 1.56 3.17 0.02 1.67 2.02 -0.35 -5.00 118.70 121.79 3jwy s GLU 465 Ca 0.04 1.85 0.01 0.00 0.02 0.00 0.00 54.97 56.89 3jwy s GLU 465 Cb -0.16 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 3jwy s GLU 465 CO 0.03 -1.06 -0.04 -1.64 0.02 0.00 0.00 175.26 172.57 3jwy s MET 466 N -3.16 0.36 -0.13 1.61 -1.94 -1.26 -4.70 119.30 110.08 3jwy s MET 466 Ca 0.74 -0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 54.09 3jwy s MET 466 Cb -0.31 -0.02 -0.02 0.00 2.01 0.00 0.00 34.83 36.50 3jwy s MET 466 CO 0.35 -0.02 -0.11 0.08 -0.01 0.00 0.00 175.02 175.31 3jwy s VAL 467 N -1.35 3.23 -0.14 -6.03 1.01 -1.26 -4.93 120.40 110.93 3jwy s VAL 467 Ca -0.13 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3jwy s VAL 467 Cb -0.09 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3jwy s VAL 467 CO -0.01 0.52 -0.17 0.21 0.00 0.00 0.00 175.10 175.66 3jwy s ASN 468 N 0.28 3.62 0.15 3.32 3.04 -1.25 -1.05 114.94 123.05 3jwy s ASN 468 Ca -0.08 -0.46 -0.24 0.00 0.04 0.00 0.00 52.86 52.12 3jwy s ASN 468 Cb -0.15 -1.54 0.07 0.00 -1.54 0.00 0.00 41.25 38.08 3jwy s ASN 468 CO 0.05 0.12 0.69 -0.72 -3.04 0.00 0.00 177.10 174.20 3jwy s TYR 469 N 0.61 -0.43 -0.32 0.43 1.13 -1.26 -4.97 117.35 112.54 3jwy s TYR 469 Ca -0.09 0.19 -0.14 0.00 -1.41 0.00 0.00 57.07 55.61 3jwy s TYR 469 Cb -0.16 0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 41.26 3jwy s TYR 469 CO 0.03 -0.85 0.31 0.42 -2.51 0.00 0.00 175.55 172.95 3jwy s ILE 470 N -3.63 5.22 0.06 -3.49 1.01 -1.26 -4.84 121.20 114.27 3jwy s ILE 470 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.82 3jwy s ILE 470 Cb -0.02 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3jwy s ILE 470 CO -0.08 0.02 -0.06 -0.76 0.00 0.00 0.00 174.94 174.05 3jwy s LEU 471 N 1.92 3.21 0.00 2.97 1.43 -1.26 -3.95 118.68 123.00 3jwy s LEU 471 Ca 0.10 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3jwy s LEU 471 Cb -0.17 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3jwy s LEU 471 CO 0.11 0.22 -0.16 -0.55 0.23 0.00 0.00 176.35 176.20 3jwy s SER 472 N -1.89 3.88 0.62 2.29 0.15 -1.26 -4.11 113.70 113.38 3jwy s SER 472 Ca 0.21 -0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.35 3jwy s SER 472 Cb -0.11 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 3jwy s SER 472 CO 0.12 0.29 0.96 -2.65 1.20 0.00 0.00 173.24 173.17 3jwy n PRO 473 N 1.88 0.84 -3.84 5.44 -0.02 -1.26 -5.00 135.00 133.04 3jwy n PRO 473 Ca -0.16 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3jwy n PRO 473 Cb 0.52 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.75 3jwy n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jwy s ALA 474 N -1.54 -0.38 -0.02 3.55 0.00 -0.68 -3.85 121.76 118.83 3jwy s ALA 474 Ca 0.77 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.29 3jwy s ALA 474 Cb -0.41 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3jwy s ALA 474 CO 0.46 -0.38 0.42 -0.06 0.00 0.00 0.00 175.76 176.20 3jwy s PHE 475 N -2.67 3.69 0.09 0.00 0.08 -1.26 -0.64 117.98 117.28 3jwy s PHE 475 Ca -0.04 0.97 0.05 0.00 0.12 0.00 0.00 56.93 58.02 3jwy s PHE 475 Cb -0.01 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 3jwy s PHE 475 CO -0.04 0.55 -0.13 1.03 -0.10 0.00 0.00 175.22 176.53 3jwy s ARG 476 N -0.74 0.88 0.63 0.44 0.52 0.10 -4.95 118.95 115.83 3jwy s ARG 476 Ca 0.24 -1.10 -0.16 0.00 -0.52 0.00 0.00 55.73 54.19 3jwy s ARG 476 Cb -0.16 -0.74 -0.02 0.00 0.52 0.00 0.00 34.95 34.55 3jwy s ARG 476 CO 0.13 0.14 1.09 0.71 0.02 0.00 0.00 175.30 177.39 3jwy s TYR 477 N -1.93 2.75 0.04 -0.53 2.02 -1.26 -0.50 117.35 117.93 3jwy s TYR 477 Ca 0.04 1.54 -0.01 0.00 -0.37 0.00 0.00 57.07 58.26 3jwy s TYR 477 Cb -0.06 -3.13 -0.03 0.00 -0.40 0.00 0.00 41.96 38.34 3jwy s TYR 477 CO 0.02 -1.49 -0.01 1.14 -1.57 0.00 0.00 175.55 173.64 3jwy s GLN 478 N -4.01 0.53 0.48 -0.62 -2.07 -1.26 -4.74 119.66 107.96 3jwy s GLN 478 Ca 0.66 -0.98 -0.23 0.00 -1.82 0.00 0.00 55.36 52.99 3jwy s GLN 478 Cb -0.19 0.19 -0.07 0.00 -1.09 0.00 0.00 33.01 31.85 3jwy s GLN 478 CO 0.39 -0.10 1.30 -2.14 -1.32 0.00 0.00 175.29 173.41 3jwy s PRO 479 N -3.05 3.57 0.29 9.60 0.02 -1.26 -4.95 135.00 139.22 3jwy s PRO 479 Ca -0.01 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 3jwy s PRO 479 Cb 0.02 -2.46 -0.12 0.00 0.02 0.00 0.00 34.50 31.95 3jwy s PRO 479 CO -0.07 -0.81 1.50 -0.25 -0.33 0.00 0.00 177.00 177.05 3jwy n ASP 480 N -0.51 3.43 0.24 2.53 8.00 -1.26 -4.90 116.55 124.08 3jwy n ASP 480 Ca 0.07 1.16 0.11 0.00 0.71 0.00 0.00 54.79 56.84 3jwy n ASP 480 Cb 0.45 -1.54 0.62 0.00 -0.02 0.00 0.00 41.12 40.63 3jwy n ASP 480 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jwy h PRO 481 N 4.27 0.00 0.00 -0.24 0.11 -1.92 -3.55 132.00 130.67 3jwy h PRO 481 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jwy h PRO 481 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3jwy h PRO 481 CO 0.75 0.18 0.00 -2.67 -0.21 0.00 0.00 178.00 176.05