#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nqs s TYR 78 N 0.00 0.37 -0.14 2.61 -0.85 -1.26 -4.74 117.35 113.35 3nqs s TYR 78 Ca 0.00 -0.77 -0.03 0.00 -0.52 0.00 0.00 57.07 55.75 3nqs s TYR 78 Cb 0.00 -0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 3nqs s TYR 78 CO 0.00 -0.63 -0.03 0.08 -1.52 0.00 0.00 175.55 173.45 3nqs s VAL 79 N -3.94 3.96 -0.11 -3.49 1.01 -0.24 -4.88 120.40 112.71 3nqs s VAL 79 Ca 0.14 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 3nqs s VAL 79 Cb 0.04 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3nqs s VAL 79 CO -0.04 0.51 0.94 -0.60 0.00 0.00 0.00 175.10 175.92 3nqs s ARG 80 N 0.12 4.41 -0.07 2.72 3.52 -1.26 -0.59 118.95 127.80 3nqs s ARG 80 Ca -0.01 1.27 0.05 0.00 -0.13 0.00 0.00 55.73 56.92 3nqs s ARG 80 Cb -0.13 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 3nqs s ARG 80 CO 0.03 -0.26 -0.24 0.42 -0.81 0.00 0.00 175.30 174.43 3nqs s ILE 81 N 1.85 2.12 0.00 4.11 -1.09 0.27 -4.99 121.20 123.46 3nqs s ILE 81 Ca 0.46 -1.04 0.07 0.00 -2.23 0.00 0.00 60.65 57.91 3nqs s ILE 81 Cb -0.18 -1.78 -0.02 0.00 -1.58 0.00 0.00 42.46 38.90 3nqs s ILE 81 CO 0.18 0.57 -0.21 -0.75 -1.23 0.00 0.00 174.94 173.49 3nqs s LYS 82 N -0.06 1.65 -0.41 2.79 2.20 -1.26 -0.84 119.74 123.82 3nqs s LYS 82 Ca -0.07 -0.82 -0.12 0.00 -0.36 0.00 0.00 55.97 54.60 3nqs s LYS 82 Cb -0.15 -1.65 0.04 0.00 -1.51 0.00 0.00 37.83 34.57 3nqs s LYS 82 CO 0.05 0.44 0.27 1.21 -0.36 0.00 0.00 175.35 176.97 3nqs s ASN 83 N -0.70 5.88 0.00 1.43 3.84 -0.63 -1.97 114.94 122.80 3nqs s ASN 83 Ca 0.08 -1.14 0.10 0.00 0.21 0.00 0.00 52.86 52.11 3nqs s ASN 83 Cb -0.08 -2.08 0.58 0.00 -0.55 0.00 0.00 41.25 39.12 3nqs s ASN 83 CO -0.00 -0.48 1.05 0.79 -2.79 0.00 0.00 177.10 175.67 3nqs n TRP 84 N 5.06 0.00 -0.13 0.43 7.02 -0.25 -0.06 117.44 129.51 3nqs n TRP 84 Ca -0.11 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.17 3nqs n TRP 84 Cb 0.45 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.23 3nqs n TRP 84 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3nqs n GLY 85 N 0.07 -0.37 0.11 6.99 0.00 -1.26 -4.60 105.19 106.13 3nqs n GLY 85 Ca 0.07 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3nqs n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nqs n SER 86 N -3.45 0.97 0.00 1.61 3.41 -1.16 -4.98 113.62 110.02 3nqs n SER 86 Ca -0.47 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 3nqs n SER 86 Cb 0.95 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 3nqs n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nqs n GLY 87 N 1.27 1.56 3.78 5.00 0.00 0.91 -4.98 105.19 112.73 3nqs n GLY 87 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3nqs n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nqs s GLU 88 N -0.11 4.14 0.06 1.61 2.12 -1.23 -4.72 118.70 120.56 3nqs s GLU 88 Ca 0.00 2.51 0.06 0.00 0.36 0.00 0.00 54.97 57.89 3nqs s GLU 88 Cb 0.00 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 3nqs s GLU 88 CO 0.00 -0.48 -0.09 0.42 -0.54 0.00 0.00 175.26 174.56 3nqs s ILE 89 N -1.13 3.42 0.03 -3.70 -1.09 -1.26 -1.60 121.20 115.87 3nqs s ILE 89 Ca 0.52 -1.06 0.01 0.00 -2.23 0.00 0.00 60.65 57.89 3nqs s ILE 89 Cb -0.45 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 3nqs s ILE 89 CO 0.61 0.25 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.75 3nqs s LEU 90 N -1.81 2.20 -0.26 2.97 1.43 -0.02 -4.99 118.68 118.20 3nqs s LEU 90 Ca 0.19 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3nqs s LEU 90 Cb -0.11 -0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.03 3nqs s LEU 90 CO 0.10 -0.18 -0.02 -1.00 0.23 0.00 0.00 176.35 175.49 3nqs s HIS 91 N -1.15 3.08 -0.27 0.29 3.76 -1.26 -0.57 115.29 119.16 3nqs s HIS 91 Ca -0.09 -1.32 -0.16 0.00 -0.15 0.00 0.00 55.06 53.33 3nqs s HIS 91 Cb -0.08 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 3nqs s HIS 91 CO -0.00 -0.67 0.45 0.34 -0.85 0.00 0.00 174.74 174.01 3nqs s ASP 92 N 1.39 6.33 -0.05 1.40 -1.08 0.24 -4.66 116.67 120.25 3nqs s ASP 92 Ca 0.01 0.35 0.06 0.00 -0.52 0.00 0.00 52.55 52.46 3nqs s ASP 92 Cb -0.17 -2.25 -0.09 0.00 -1.46 0.00 0.00 42.92 38.96 3nqs s ASP 92 CO -0.02 -0.26 0.07 0.35 0.52 0.00 0.00 175.17 175.83 3nqs n THR 93 N 5.17 0.30 0.07 1.71 -2.24 0.02 -1.08 114.28 118.22 3nqs n THR 93 Ca -0.06 -0.24 0.19 0.00 -2.27 0.00 0.00 64.05 61.66 3nqs n THR 93 Cb 0.50 -0.41 0.72 0.00 -2.10 0.00 0.00 70.33 69.03 3nqs n THR 93 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3nqs h LEU 94 N 0.00 0.00 -1.76 3.22 5.85 -1.42 -1.92 115.31 119.27 3nqs h LEU 94 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3nqs h LEU 94 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3nqs h LEU 94 CO 0.01 0.00 0.06 1.12 -0.34 0.00 0.00 178.44 179.29 3nqs h HIS 95 N 0.00 0.00 0.00 1.25 2.07 -1.84 0.18 115.15 116.81 3nqs h HIS 95 Ca 0.20 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.65 3nqs h HIS 95 Cb 0.85 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.82 3nqs h HIS 95 CO 0.00 0.00 -0.32 0.45 -3.07 0.00 0.00 177.93 174.99 3nqs h HIS 96 N 0.00 0.00 0.00 6.12 3.86 -1.70 -2.61 115.15 120.81 3nqs h HIS 96 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3nqs h HIS 96 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3nqs h HIS 96 CO 0.00 0.32 0.00 1.63 0.86 0.00 0.00 177.93 180.74 3nqs n LYS 97 N -3.63 1.00 -1.29 2.45 4.76 0.05 -4.90 118.16 116.60 3nqs n LYS 97 Ca -0.01 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3nqs n LYS 97 Cb 0.44 -1.47 0.11 0.00 -1.84 0.00 0.00 35.03 32.26 3nqs n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3nqs s ALA 98 N -2.00 2.00 -0.04 7.82 0.00 -0.99 -4.77 121.76 123.79 3nqs s ALA 98 Ca 0.45 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 3nqs s ALA 98 Cb 0.21 -3.47 -0.21 0.00 0.00 0.00 0.00 23.12 19.64 3nqs s ALA 98 CO 0.35 -2.05 1.13 1.79 0.00 0.00 0.00 175.76 176.98 3nqs h THR 99 N -0.58 1.50 -1.03 0.00 1.35 -1.73 -3.50 112.91 108.92 3nqs h THR 99 Ca -0.47 -1.56 0.35 0.00 -0.55 0.00 0.00 66.41 64.18 3nqs h THR 99 Cb 1.29 2.50 -0.19 0.00 -1.73 0.00 0.00 68.15 70.02 3nqs h THR 99 CO 0.48 0.42 0.99 0.00 -0.25 0.00 0.00 175.52 177.16 3nqs n LEU 110 N -0.15 7.70 -0.04 0.00 4.32 -1.26 -4.76 117.00 122.82 3nqs n LEU 110 Ca 0.01 -5.11 -0.15 0.00 -0.02 0.00 0.00 56.01 50.74 3nqs n LEU 110 Cb 0.58 -1.26 -0.08 0.00 -1.62 0.00 0.00 43.42 41.04 3nqs n LEU 110 CO 0.09 2.05 0.42 1.23 -1.22 0.00 0.00 177.39 179.95 3nqs h GLY 111 N 4.87 0.59 -2.15 -0.72 0.00 -2.06 -3.28 103.07 100.31 3nqs h GLY 111 Ca 0.62 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3nqs h GLY 111 CO 1.33 0.69 0.00 -1.14 0.00 0.00 0.00 176.54 177.41 3nqs n SER 112 N -4.26 3.19 -4.70 0.19 3.41 -1.26 -4.90 113.62 105.29 3nqs n SER 112 Ca -0.07 -2.40 -0.42 0.00 -0.26 0.00 0.00 58.87 55.72 3nqs n SER 112 Cb 0.56 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3nqs n SER 112 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3nqs s ILE 113 N -1.83 4.83 0.03 -1.33 -1.09 -1.24 -4.98 121.20 115.60 3nqs s ILE 113 Ca 0.27 2.01 -0.27 0.00 -2.23 0.00 0.00 60.65 60.43 3nqs s ILE 113 Cb 0.20 -4.30 -0.17 0.00 -1.58 0.00 0.00 42.46 36.61 3nqs s ILE 113 CO 0.10 0.08 1.35 0.24 -1.23 0.00 0.00 174.94 175.48 3nqs h MET 114 N 6.97 -0.51 -2.30 2.79 2.86 -1.93 -3.38 114.93 119.43 3nqs h MET 114 Ca -0.35 0.03 -0.60 0.00 -2.06 0.00 0.00 59.70 56.72 3nqs h MET 114 Cb 1.18 0.12 -0.42 0.00 0.06 0.00 0.00 31.60 32.53 3nqs h MET 114 CO 0.81 -0.22 -0.61 0.09 1.06 0.00 0.00 176.91 178.04 3nqs n ASN 115 N -5.22 3.53 -4.82 1.22 3.02 -1.26 -5.09 115.26 106.64 3nqs n ASN 115 Ca -0.10 -3.39 -0.32 0.00 -0.03 0.00 0.00 54.58 50.74 3nqs n ASN 115 Cb 0.28 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 38.79 3nqs n ASN 115 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3nqs s PRO 116 N -2.30 3.21 0.46 3.52 0.04 -1.26 -4.94 135.00 133.72 3nqs s PRO 116 Ca 0.38 1.04 0.12 0.00 0.04 0.00 0.00 61.00 62.58 3nqs s PRO 116 Cb 0.13 -2.02 1.04 0.00 0.04 0.00 0.00 34.50 33.69 3nqs s PRO 116 CO -0.04 -0.89 2.08 0.87 0.04 0.00 0.00 177.00 179.07 3nqs h LYS 117 N -0.12 0.23 0.00 4.56 1.57 -1.99 -2.04 116.57 118.78 3nqs h LYS 117 Ca -0.45 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3nqs h LYS 117 Cb 1.21 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3nqs h LYS 117 CO 0.58 0.19 -0.01 0.66 -0.57 0.00 0.00 179.45 180.30 3nqs h SER 118 N 0.23 0.00 -0.39 0.86 4.64 -2.03 -1.13 113.55 115.74 3nqs h SER 118 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3nqs h SER 118 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3nqs h SER 118 CO -0.01 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3nqs n LEU 119 N -3.17 3.07 -4.39 5.97 4.77 -0.77 -4.97 117.00 117.51 3nqs n LEU 119 Ca -0.02 -1.81 -0.32 0.00 -0.03 0.00 0.00 56.01 53.83 3nqs n LEU 119 Cb 0.14 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.83 3nqs n LEU 119 CO 0.23 0.74 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.65 3nqs s THR 120 N -1.05 2.78 -0.32 -5.08 2.01 -0.43 -0.38 115.64 113.18 3nqs s THR 120 Ca 0.29 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3nqs s THR 120 Cb 0.16 -2.10 0.09 0.00 0.01 0.00 0.00 72.50 70.66 3nqs s THR 120 CO 0.21 0.56 0.03 -0.60 -0.69 0.00 0.00 174.62 174.13 3nqs s ARG 121 N -0.24 1.51 0.60 4.92 6.06 -0.48 -4.90 118.95 126.43 3nqs s ARG 121 Ca 0.00 -1.69 -0.10 0.00 -2.50 0.00 0.00 55.73 51.45 3nqs s ARG 121 Cb -0.13 -3.01 0.15 0.00 0.06 0.00 0.00 34.95 32.01 3nqs s ARG 121 CO 0.03 -0.88 0.61 0.41 -2.50 0.00 0.00 175.30 172.97 3nqs n GLY 122 N 4.35 -2.22 3.77 8.12 0.00 -1.26 -4.55 105.19 113.40 3nqs n GLY 122 Ca 0.00 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 3nqs n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nqs s PRO 123 N -4.37 0.81 0.15 1.61 0.04 -1.26 -4.99 135.00 126.99 3nqs s PRO 123 Ca 0.38 0.23 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 3nqs s PRO 123 Cb -0.03 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 3nqs s PRO 123 CO 0.28 -2.41 0.17 1.03 0.04 0.00 0.00 177.00 176.11 3nqs s ARG 124 N -5.30 1.07 0.00 4.56 0.52 -1.26 -5.05 118.95 113.48 3nqs s ARG 124 Ca 0.65 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3nqs s ARG 124 Cb -0.14 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.64 3nqs s ARG 124 CO 0.54 -0.35 0.15 -0.40 0.02 0.00 0.00 175.30 175.26 3nqs n ASP 125 N -0.17 0.29 -3.99 0.23 3.85 -1.24 -4.29 116.55 111.24 3nqs n ASP 125 Ca -0.05 -0.80 -0.09 0.00 -0.71 0.00 0.00 54.79 53.14 3nqs n ASP 125 Cb 0.64 0.10 -0.11 0.00 -1.35 0.00 0.00 41.12 40.39 3nqs n ASP 125 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3nqs s LYS 126 N -0.10 0.36 0.75 0.11 1.02 -0.87 -4.83 119.74 116.19 3nqs s LYS 126 Ca 0.00 -0.67 -0.14 0.00 0.02 0.00 0.00 55.97 55.18 3nqs s LYS 126 Cb 0.00 0.13 0.05 0.00 -0.52 0.00 0.00 37.83 37.49 3nqs s LYS 126 CO 0.00 -0.06 1.18 -2.14 -0.92 0.00 0.00 175.35 173.41 3nqs s PRO 127 N -1.75 2.03 0.11 -1.68 0.02 -1.26 -4.65 135.00 127.82 3nqs s PRO 127 Ca -0.13 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.25 3nqs s PRO 127 Cb -0.08 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 3nqs s PRO 127 CO -0.02 -1.90 1.82 0.99 -0.33 0.00 0.00 177.00 177.56 3nqs s THR 128 N -2.16 2.62 0.29 0.99 2.01 -1.26 -4.91 115.64 113.21 3nqs s THR 128 Ca 0.72 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 3nqs s THR 128 Cb -0.27 -3.06 -0.13 0.00 0.01 0.00 0.00 72.50 69.04 3nqs s THR 128 CO 0.47 -0.00 1.20 -2.65 -0.69 0.00 0.00 174.62 172.95 3nqs n PRO 129 N 5.77 1.73 -0.10 4.92 -0.02 -1.26 -4.72 135.00 141.32 3nqs n PRO 129 Ca 0.18 0.61 -0.06 0.00 -2.02 0.00 0.00 63.50 62.21 3nqs n PRO 129 Cb 0.39 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3nqs n PRO 129 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3nqs h LEU 130 N 2.74 -0.68 -2.05 2.45 7.12 -1.91 0.96 115.31 123.95 3nqs h LEU 130 Ca -0.43 0.15 0.11 0.00 0.13 0.00 0.00 57.88 57.84 3nqs h LEU 130 Cb 1.31 0.36 -0.02 0.00 -0.53 0.00 0.00 40.66 41.78 3nqs h LEU 130 CO 0.65 -0.23 0.31 1.05 -0.13 0.00 0.00 178.44 180.09 3nqs h GLU 131 N -0.14 0.00 0.07 1.25 4.11 -2.01 -1.17 114.58 116.68 3nqs h GLU 131 Ca 0.18 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.33 3nqs h GLU 131 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3nqs h GLU 131 CO -0.46 0.00 -1.55 1.49 0.07 0.00 0.00 179.01 178.57 3nqs h GLU 132 N 0.00 0.14 0.23 1.06 4.81 -1.65 -3.40 114.58 115.77 3nqs h GLU 132 Ca 0.19 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3nqs h GLU 132 Cb 0.81 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3nqs h GLU 132 CO -0.00 1.12 -0.11 1.25 -0.73 0.00 0.00 179.01 180.53 3nqs h LEU 133 N -0.48 -0.26 -0.57 1.64 5.85 -0.40 -3.30 115.31 117.79 3nqs h LEU 133 Ca -0.37 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.32 3nqs h LEU 133 Cb 1.65 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.65 3nqs h LEU 133 CO -0.05 0.00 -0.07 0.25 -0.34 0.00 0.00 178.44 178.23 3nqs h LEU 134 N -0.53 -0.39 -0.99 2.25 5.85 -1.47 -1.03 115.31 118.99 3nqs h LEU 134 Ca -0.03 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3nqs h LEU 134 Cb 0.39 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3nqs h LEU 134 CO 0.05 -0.15 0.26 -0.65 -0.34 0.00 0.00 178.44 177.62 3nqs h PRO 135 N 0.05 0.99 -0.44 5.25 0.11 -1.78 -1.90 132.00 134.29 3nqs h PRO 135 Ca 0.28 -0.17 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 3nqs h PRO 135 Cb 0.45 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3nqs h PRO 135 CO -0.54 0.81 -0.03 0.45 -0.21 0.00 0.00 178.00 178.48 3nqs h HIS 136 N 0.97 0.88 -0.43 0.65 3.86 -1.48 -2.31 115.15 117.29 3nqs h HIS 136 Ca 0.23 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3nqs h HIS 136 Cb 0.19 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3nqs h HIS 136 CO 0.02 0.87 0.27 0.00 0.86 0.00 0.00 177.93 179.95 3nqs h ALA 137 N 0.89 0.55 -0.72 2.45 0.00 -0.97 -1.74 119.26 119.71 3nqs h ALA 137 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3nqs h ALA 137 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3nqs h ALA 137 CO 0.03 0.02 0.25 0.82 0.00 0.00 0.00 179.25 180.37 3nqs h ILE 138 N 0.58 1.25 -0.43 0.00 2.04 -1.32 -1.54 117.51 118.10 3nqs h ILE 138 Ca 0.16 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3nqs h ILE 138 Cb -0.03 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3nqs h ILE 138 CO -0.03 0.34 0.21 -0.08 0.00 0.00 0.00 178.15 178.58 3nqs h GLU 139 N 1.06 0.61 -0.31 2.37 4.22 -1.05 -1.59 114.58 119.88 3nqs h GLU 139 Ca 0.24 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.56 3nqs h GLU 139 Cb 0.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3nqs h GLU 139 CO -0.01 0.53 0.07 0.35 -2.18 0.00 0.00 179.01 177.76 3nqs h PHE 140 N 0.55 0.54 -0.92 0.92 3.57 -1.07 -1.11 116.94 119.42 3nqs h PHE 140 Ca 0.15 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3nqs h PHE 140 Cb 0.11 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 3nqs h PHE 140 CO -0.01 0.57 0.59 0.82 -2.23 0.00 0.00 178.31 178.05 3nqs h ILE 141 N 0.35 1.09 -0.61 1.41 1.08 -1.16 0.24 117.51 119.91 3nqs h ILE 141 Ca 0.10 -0.37 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 3nqs h ILE 141 Cb 0.31 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 3nqs h ILE 141 CO 0.00 0.20 0.09 0.78 -0.69 0.00 0.00 178.15 178.54 3nqs h ASN 142 N 1.09 0.97 -0.51 1.72 2.35 -1.06 -1.78 115.58 118.36 3nqs h ASN 142 Ca 0.39 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3nqs h ASN 142 Cb 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3nqs h ASN 142 CO -0.16 0.98 0.10 -0.61 -1.65 0.00 0.00 177.43 176.10 3nqs h GLN 143 N 0.91 0.83 0.70 0.81 4.15 -0.29 0.85 115.11 123.07 3nqs h GLN 143 Ca 0.18 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3nqs h GLN 143 Cb 0.43 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.03 3nqs h GLN 143 CO 0.01 0.81 -0.34 -0.92 -1.93 0.00 0.00 178.83 176.47 3nqs h TYR 144 N 0.72 -0.87 0.00 3.99 5.03 -0.35 -2.16 116.97 123.33 3nqs h TYR 144 Ca 0.16 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 3nqs h TYR 144 Cb 0.37 0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.93 3nqs h TYR 144 CO 0.03 -0.54 -0.11 1.88 -1.32 0.00 0.00 178.16 178.09 3nqs h TYR 145 N -0.96 0.00 0.00 -3.82 0.05 -1.35 -2.43 116.97 108.46 3nqs h TYR 145 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3nqs h TYR 145 Cb 0.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.47 3nqs h TYR 145 CO -0.02 0.11 0.00 0.78 -1.05 0.00 0.00 178.16 177.98 3nqs h GLY 146 N 1.37 0.00 1.69 3.88 0.00 -0.42 -3.11 103.07 106.48 3nqs h GLY 146 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nqs h GLY 146 CO 0.01 0.00 -0.23 -1.14 0.00 0.00 0.00 176.54 175.19 3nqs n SER 147 N -2.70 0.77 -4.74 0.19 3.41 -0.85 -4.87 113.62 104.84 3nqs n SER 147 Ca 0.03 0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 58.63 3nqs n SER 147 Cb 0.38 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3nqs n SER 147 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3nqs s PHE 148 N -3.12 3.04 0.25 7.33 2.99 -1.18 -4.90 117.98 122.38 3nqs s PHE 148 Ca 0.09 0.90 0.04 0.00 0.00 0.00 0.00 56.93 57.96 3nqs s PHE 148 Cb 0.13 -3.85 0.29 0.00 0.00 0.00 0.00 43.02 39.59 3nqs s PHE 148 CO 0.64 -2.90 1.59 -0.22 -0.00 0.00 0.00 175.22 174.33 3nqs h LYS 149 N 5.66 0.26 -3.97 0.44 3.64 -1.91 -3.36 116.57 117.33 3nqs h LYS 149 Ca -0.45 -0.16 -0.71 0.00 -1.27 0.00 0.00 60.65 58.06 3nqs h LYS 149 Cb 1.21 0.02 -0.34 0.00 -0.41 0.00 0.00 32.23 32.71 3nqs h LYS 149 CO 0.82 0.74 -0.39 -1.21 -2.27 0.00 0.00 179.45 177.14 3nqs s GLU 150 N -3.88 2.45 0.19 1.90 0.41 -1.26 -5.07 118.70 113.45 3nqs s GLU 150 Ca -0.04 -2.21 -0.33 0.00 -0.41 0.00 0.00 54.97 51.98 3nqs s GLU 150 Cb 0.12 -3.76 -0.14 0.00 -1.78 0.00 0.00 34.13 28.57 3nqs s GLU 150 CO 0.79 -1.16 1.37 0.00 -0.49 0.00 0.00 175.26 175.78 3nqs n ALA 151 N 4.05 0.50 -3.55 5.21 0.00 -1.26 -4.95 120.51 120.51 3nqs n ALA 151 Ca 0.03 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 3nqs n ALA 151 Cb 0.40 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.55 3nqs n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3nqs n LYS 152 N 2.25 2.44 -0.21 0.00 5.02 -1.26 -4.96 118.16 121.43 3nqs n LYS 152 Ca 0.14 -4.61 0.01 0.00 -2.02 0.00 0.00 58.31 51.83 3nqs n LYS 152 Cb 0.28 -2.29 0.10 0.00 -0.02 0.00 0.00 35.03 33.10 3nqs n LYS 152 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3nqs h ILE 153 N 3.57 0.43 -0.19 -0.18 1.08 -1.96 -1.63 117.51 118.63 3nqs h ILE 153 Ca 0.18 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 3nqs h ILE 153 Cb 0.69 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 3nqs h ILE 153 CO 0.83 0.01 0.09 -0.33 -0.69 0.00 0.00 178.15 178.06 3nqs h GLU 154 N 0.07 0.19 -0.34 2.37 5.08 -2.00 -1.83 114.58 118.12 3nqs h GLU 154 Ca 0.33 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 3nqs h GLU 154 Cb 0.53 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3nqs h GLU 154 CO -0.59 0.13 -0.09 0.93 -1.00 0.00 0.00 179.01 178.38 3nqs h GLU 155 N 0.20 0.57 0.33 2.33 5.08 -1.91 -1.63 114.58 119.55 3nqs h GLU 155 Ca 0.08 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3nqs h GLU 155 Cb 0.02 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3nqs h GLU 155 CO -0.06 0.66 -0.16 1.25 -1.00 0.00 0.00 179.01 179.71 3nqs h HIS 156 N 0.53 -0.41 -0.69 4.33 2.76 -1.01 -0.29 115.15 120.37 3nqs h HIS 156 Ca 0.10 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3nqs h HIS 156 Cb 0.48 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 3nqs h HIS 156 CO 0.02 -0.22 0.44 -0.07 -1.30 0.00 0.00 177.93 176.80 3nqs h LEU 157 N -0.50 0.75 -0.30 0.26 3.38 -1.23 0.05 115.31 117.72 3nqs h LEU 157 Ca -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3nqs h LEU 157 Cb 0.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3nqs h LEU 157 CO 0.08 0.54 0.19 0.00 0.09 0.00 0.00 178.44 179.33 3nqs h ALA 158 N 1.27 0.39 -0.60 1.53 0.00 -1.15 -1.53 119.26 119.15 3nqs h ALA 158 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3nqs h ALA 158 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3nqs h ALA 158 CO -0.08 -0.12 0.21 -0.09 0.00 0.00 0.00 179.25 179.17 3nqs h ARG 159 N 0.39 0.92 -0.32 0.00 9.65 -0.69 -0.45 114.38 123.89 3nqs h ARG 159 Ca 0.11 -0.19 0.05 0.00 -1.10 0.00 0.00 59.98 58.85 3nqs h ARG 159 Cb -0.01 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 3nqs h ARG 159 CO -0.02 0.81 0.06 -0.07 2.80 0.00 0.00 179.97 183.54 3nqs h LEU 160 N 0.85 -0.00 -0.21 3.80 3.38 -0.69 0.42 115.31 122.85 3nqs h LEU 160 Ca 0.20 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3nqs h LEU 160 Cb 0.25 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3nqs h LEU 160 CO -0.01 0.03 0.06 -0.08 0.09 0.00 0.00 178.44 178.53 3nqs h GLU 161 N 0.17 0.34 -0.28 1.13 4.81 -1.05 -1.62 114.58 118.08 3nqs h GLU 161 Ca 0.15 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3nqs h GLU 161 Cb 0.17 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3nqs h GLU 161 CO -0.21 0.46 0.13 0.00 -0.73 0.00 0.00 179.01 178.66 3nqs h ALA 162 N 0.87 0.33 -0.68 2.92 0.00 -0.69 -0.72 119.26 121.29 3nqs h ALA 162 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3nqs h ALA 162 Cb 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3nqs h ALA 162 CO 0.00 -0.26 0.16 0.28 0.00 0.00 0.00 179.25 179.44 3nqs h VAL 163 N 0.29 1.26 -0.13 0.00 2.07 -0.91 -0.40 116.25 118.42 3nqs h VAL 163 Ca 0.11 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3nqs h VAL 163 Cb 0.04 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3nqs h VAL 163 CO -0.08 0.37 0.04 0.74 0.02 0.00 0.00 177.57 178.66 3nqs h THR 164 N 1.02 0.97 -0.47 2.57 2.02 -0.90 -1.66 112.91 116.46 3nqs h THR 164 Ca 0.21 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 3nqs h THR 164 Cb 0.37 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3nqs h THR 164 CO 0.00 0.02 0.02 0.11 0.37 0.00 0.00 175.52 176.04 3nqs h LYS 165 N 0.11 0.82 -0.44 6.66 1.57 -0.96 -2.09 116.57 122.25 3nqs h LYS 165 Ca 0.06 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3nqs h LYS 165 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3nqs h LYS 165 CO -0.06 0.86 0.22 1.49 -0.57 0.00 0.00 179.45 181.39 3nqs h GLU 166 N 0.68 0.43 -0.21 3.15 4.81 -0.88 -0.98 114.58 121.58 3nqs h GLU 166 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3nqs h GLU 166 Cb 0.48 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3nqs h GLU 166 CO 0.02 0.28 0.07 0.82 -0.73 0.00 0.00 179.01 179.47 3nqs h ILE 167 N 0.44 1.19 0.00 2.32 2.04 -1.16 0.39 117.51 122.73 3nqs h ILE 167 Ca 0.19 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3nqs h ILE 167 Cb 0.09 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3nqs h ILE 167 CO -0.13 0.19 -0.14 -0.33 0.00 0.00 0.00 178.15 177.74 3nqs h GLU 168 N 0.16 0.00 0.00 2.37 5.08 -1.14 0.30 114.58 121.36 3nqs h GLU 168 Ca 0.07 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.07 3nqs h GLU 168 Cb 0.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 3nqs h GLU 168 CO -0.00 0.14 -2.27 0.25 -1.00 0.00 0.00 179.01 176.12 3nqs n THR 169 N -4.34 1.44 -0.01 1.13 -2.24 -0.39 -4.61 114.28 105.26 3nqs n THR 169 Ca -0.03 -0.82 0.07 0.00 -2.27 0.00 0.00 64.05 61.00 3nqs n THR 169 Cb 0.21 -0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 67.67 3nqs n THR 169 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nqs n THR 170 N -2.85 0.05 0.00 4.28 -2.24 0.14 -5.00 114.28 108.64 3nqs n THR 170 Ca -0.31 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3nqs n THR 170 Cb 1.13 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3nqs n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nqs n GLY 171 N 1.68 0.98 0.00 3.38 0.00 0.10 -4.99 105.19 106.35 3nqs n GLY 171 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3nqs n GLY 171 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3nqs n THR 172 N -2.00 0.00 -3.60 2.61 5.66 -1.25 -4.86 114.28 110.84 3nqs n THR 172 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3nqs n THR 172 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3nqs n THR 172 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3nqs s TYR 173 N -4.73 -0.32 -0.01 1.09 1.13 -1.26 -2.86 117.35 110.39 3nqs s TYR 173 Ca 0.00 0.07 0.04 0.00 -1.41 0.00 0.00 57.07 55.77 3nqs s TYR 173 Cb 0.00 0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 41.43 3nqs s TYR 173 CO 0.00 -0.81 -0.11 -0.65 -2.51 0.00 0.00 175.55 171.47 3nqs s GLN 174 N -3.47 2.46 0.44 -3.49 -1.52 -1.26 -5.06 119.66 107.76 3nqs s GLN 174 Ca 0.07 -0.75 -0.03 0.00 -1.95 0.00 0.00 55.36 52.69 3nqs s GLN 174 Cb -0.02 -2.42 -0.03 0.00 -0.22 0.00 0.00 33.01 30.32 3nqs s GLN 174 CO -0.05 0.60 0.70 -0.51 -0.25 0.00 0.00 175.29 175.79 3nqs s LEU 175 N -1.20 3.75 0.52 2.90 1.43 -1.26 -5.09 118.68 119.74 3nqs s LEU 175 Ca 0.15 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 53.95 3nqs s LEU 175 Cb -0.11 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3nqs s LEU 175 CO 0.05 -0.49 0.81 0.42 0.23 0.00 0.00 176.35 177.36 3nqs s THR 176 N -2.60 4.20 0.21 5.49 -4.23 -1.26 -4.90 115.64 112.54 3nqs s THR 176 Ca 0.45 -0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.82 3nqs s THR 176 Cb -0.10 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.26 3nqs s THR 176 CO 0.42 -0.58 1.81 0.25 -0.54 0.00 0.00 174.62 175.98 3nqs h LEU 177 N 0.10 0.57 -1.04 4.79 5.85 -1.99 -0.85 115.31 122.74 3nqs h LEU 177 Ca -0.46 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3nqs h LEU 177 Cb 1.24 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3nqs h LEU 177 CO 0.60 0.38 0.37 0.44 -0.34 0.00 0.00 178.44 179.90 3nqs h ASP 178 N 0.71 0.95 -0.45 1.25 3.32 -1.99 -0.20 116.42 120.00 3nqs h ASP 178 Ca 0.29 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3nqs h ASP 178 Cb 0.14 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3nqs h ASP 178 CO -0.16 0.79 0.01 -0.33 -1.72 0.00 0.00 179.24 177.83 3nqs h GLU 179 N 1.05 0.78 -0.41 3.56 5.08 -1.76 -1.26 114.58 121.62 3nqs h GLU 179 Ca 0.26 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3nqs h GLU 179 Cb 0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3nqs h GLU 179 CO -0.04 0.84 0.18 1.25 -1.00 0.00 0.00 179.01 180.24 3nqs h LEU 180 N 0.63 0.55 -0.13 1.33 5.85 -0.70 0.44 115.31 123.28 3nqs h LEU 180 Ca 0.13 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3nqs h LEU 180 Cb 0.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3nqs h LEU 180 CO 0.02 0.54 0.05 0.40 -0.34 0.00 0.00 178.44 179.11 3nqs h ILE 181 N 0.52 0.98 -0.64 4.05 2.04 -0.95 -0.48 117.51 123.02 3nqs h ILE 181 Ca 0.14 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3nqs h ILE 181 Cb 0.15 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3nqs h ILE 181 CO -0.02 0.02 0.39 0.15 0.00 0.00 0.00 178.15 178.69 3nqs h PHE 182 N 0.12 0.72 -0.73 1.37 3.04 -1.03 -2.55 116.94 117.88 3nqs h PHE 182 Ca 0.05 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 3nqs h PHE 182 Cb 0.02 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.27 3nqs h PHE 182 CO -0.10 0.39 0.33 0.00 -2.02 0.00 0.00 178.31 176.91 3nqs h ALA 183 N 1.30 0.95 -0.59 2.41 0.00 -0.33 -0.77 119.26 122.22 3nqs h ALA 183 Ca 0.27 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3nqs h ALA 183 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3nqs h ALA 183 CO -0.13 0.53 0.01 1.79 0.00 0.00 0.00 179.25 181.46 3nqs h THR 184 N 1.03 1.26 -0.31 0.00 1.35 -0.79 -0.21 112.91 115.24 3nqs h THR 184 Ca 0.25 -1.12 -0.18 0.00 -0.55 0.00 0.00 66.41 64.81 3nqs h THR 184 Cb 0.16 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.37 3nqs h THR 184 CO -0.03 0.41 -0.50 0.11 -0.25 0.00 0.00 175.52 175.26 3nqs h LYS 185 N 0.94 0.87 -0.54 4.72 1.57 -1.28 -2.39 116.57 120.47 3nqs h LYS 185 Ca 0.17 -0.52 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 3nqs h LYS 185 Cb 0.53 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3nqs h LYS 185 CO 0.03 1.16 -0.08 0.52 -0.57 0.00 0.00 179.45 180.51 3nqs h MET 186 N 0.68 1.01 -0.73 3.15 2.86 -1.00 0.10 114.93 121.01 3nqs h MET 186 Ca 0.03 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 3nqs h MET 186 Cb 1.09 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 3nqs h MET 186 CO 0.11 1.04 0.39 0.00 1.06 0.00 0.00 176.91 179.52 3nqs h ALA 187 N 0.93 1.33 -0.10 6.32 0.00 -1.01 0.33 119.26 127.07 3nqs h ALA 187 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3nqs h ALA 187 Cb 0.64 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3nqs h ALA 187 CO 0.04 0.55 -0.03 2.35 0.00 0.00 0.00 179.25 182.16 3nqs h TRP 188 N 1.01 0.22 -0.53 0.00 7.01 -1.10 -2.27 115.95 120.29 3nqs h TRP 188 Ca 0.26 -0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.30 3nqs h TRP 188 Cb 0.03 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 3nqs h TRP 188 CO 0.01 0.52 0.36 -0.09 -2.79 0.00 0.00 178.44 176.44 3nqs h ARG 189 N -0.14 0.32 -0.24 2.65 2.43 -0.13 -0.75 114.38 118.51 3nqs h ARG 189 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3nqs h ARG 189 Cb 0.45 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3nqs h ARG 189 CO 0.01 0.21 0.00 0.09 -1.51 0.00 0.00 179.97 178.77 3nqs n ASN 190 N -4.46 1.96 -4.56 -3.80 3.02 0.11 -4.85 115.26 102.67 3nqs n ASN 190 Ca 0.08 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.41 3nqs n ASN 190 Cb 0.36 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3nqs n ASN 190 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nqs s ALA 191 N -1.69 2.93 0.51 5.41 0.00 -0.29 -4.71 121.76 123.93 3nqs s ALA 191 Ca 0.32 -1.04 0.30 0.00 0.00 0.00 0.00 51.96 51.53 3nqs s ALA 191 Cb 0.17 -4.08 1.69 0.00 0.00 0.00 0.00 23.12 20.90 3nqs s ALA 191 CO 0.25 -2.84 2.18 -1.35 0.00 0.00 0.00 175.76 174.00 3nqs h PRO 192 N 9.68 0.00 -0.34 0.00 0.11 -1.88 -2.69 132.00 136.88 3nqs h PRO 192 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3nqs h PRO 192 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3nqs h PRO 192 CO 1.21 0.05 0.00 0.54 -0.21 0.00 0.00 178.00 179.59 3nqs n ARG 193 N -3.69 2.13 -3.63 1.05 1.74 -1.26 -0.51 116.66 112.49 3nqs n ARG 193 Ca -0.02 -1.72 -0.38 0.00 -0.77 0.00 0.00 57.85 54.96 3nqs n ARG 193 Cb 0.15 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 3nqs n ARG 193 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nqs n ILE 195 N 5.00 0.31 -0.17 0.00 3.06 -1.26 -3.86 119.36 122.44 3nqs n ILE 195 Ca -0.14 -0.18 0.07 0.00 -2.50 0.00 0.00 62.75 59.99 3nqs n ILE 195 Cb 0.52 -0.30 0.28 0.00 0.54 0.00 0.00 39.64 40.68 3nqs n ILE 195 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3nqs n GLY 196 N 1.38 2.21 0.00 4.50 0.00 -1.26 -4.30 105.19 107.73 3nqs n GLY 196 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3nqs n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nqs n ARG 197 N 0.77 0.00 0.27 1.61 1.74 -1.25 -1.87 116.66 117.93 3nqs n ARG 197 Ca 0.20 0.38 0.15 0.00 -0.77 0.00 0.00 57.85 57.81 3nqs n ARG 197 Cb 0.76 -1.52 0.75 0.00 -1.02 0.00 0.00 32.46 31.43 3nqs n ARG 197 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3nqs h ILE 198 N 0.00 0.31 -0.06 0.55 2.10 -1.87 -2.10 117.51 116.43 3nqs h ILE 198 Ca 0.00 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.40 3nqs h ILE 198 Cb 0.05 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 3nqs h ILE 198 CO 0.00 0.08 0.00 0.00 -1.08 0.00 0.00 178.15 177.15 3nqs n GLN 199 N -3.34 1.52 -0.46 2.19 1.13 -0.78 -4.57 117.38 113.06 3nqs n GLN 199 Ca -0.01 -0.76 0.39 0.00 -1.94 0.00 0.00 57.00 54.68 3nqs n GLN 199 Cb 0.26 -1.43 0.71 0.00 0.11 0.00 0.00 30.24 29.89 3nqs n GLN 199 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3nqs h TRP 200 N 1.69 0.26 -0.00 1.08 5.08 -1.57 0.11 115.95 122.60 3nqs h TRP 200 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3nqs h TRP 200 Cb 0.37 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 3nqs h TRP 200 CO 0.04 -0.06 -0.20 -1.13 -1.28 0.00 0.00 178.44 175.81 3nqs n SER 201 N -4.34 0.21 -4.27 0.11 3.41 -1.26 -4.54 113.62 102.94 3nqs n SER 201 Ca 0.34 0.18 -0.44 0.00 -0.26 0.00 0.00 58.87 58.69 3nqs n SER 201 Cb 1.46 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 65.17 3nqs n SER 201 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3nqs s ASN 202 N -2.98 6.42 -0.13 4.04 3.84 0.39 -5.01 114.94 121.51 3nqs s ASN 202 Ca 0.13 -2.83 -0.05 0.00 0.21 0.00 0.00 52.86 50.32 3nqs s ASN 202 Cb 0.18 -2.12 0.06 0.00 -0.55 0.00 0.00 41.25 38.83 3nqs s ASN 202 CO 0.59 -0.49 0.28 -0.22 -2.79 0.00 0.00 177.10 174.47 3nqs s LEU 203 N -0.05 -0.13 -0.05 3.21 2.96 -1.26 -4.68 118.68 118.68 3nqs s LEU 203 Ca 0.19 0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 54.47 3nqs s LEU 203 Cb -0.12 0.80 -0.03 0.00 0.50 0.00 0.00 46.19 47.34 3nqs s LEU 203 CO -0.08 -0.22 0.82 -1.58 -1.32 0.00 0.00 176.35 173.98 3nqs s GLN 204 N 2.07 4.47 -0.20 1.98 2.00 -0.81 -4.97 119.66 124.21 3nqs s GLN 204 Ca -0.02 1.11 -0.03 0.00 -2.00 0.00 0.00 55.36 54.41 3nqs s GLN 204 Cb -0.11 -3.46 -0.01 0.00 0.80 0.00 0.00 33.01 30.22 3nqs s GLN 204 CO -0.09 -0.02 -0.06 0.08 -0.50 0.00 0.00 175.29 174.70 3nqs s VAL 205 N 1.01 3.34 -0.33 1.34 1.01 -1.26 -0.98 120.40 124.52 3nqs s VAL 205 Ca 0.43 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3nqs s VAL 205 Cb -0.19 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3nqs s VAL 205 CO 0.21 0.45 0.17 -0.36 0.00 0.00 0.00 175.10 175.58 3nqs s PHE 206 N 1.16 3.20 -0.64 5.22 0.08 0.49 -4.98 117.98 122.50 3nqs s PHE 206 Ca 0.02 -0.68 -0.25 0.00 0.12 0.00 0.00 56.93 56.13 3nqs s PHE 206 Cb -0.14 -2.39 0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3nqs s PHE 206 CO -0.01 -0.51 1.10 0.34 -0.10 0.00 0.00 175.22 176.03 3nqs s ASP 207 N 1.60 6.27 -0.28 1.36 -1.08 -1.26 -0.81 116.67 122.46 3nqs s ASP 207 Ca 0.04 -0.44 0.09 0.00 -0.52 0.00 0.00 52.55 51.71 3nqs s ASP 207 Cb -0.18 -2.49 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 3nqs s ASP 207 CO 0.07 -1.52 1.38 0.00 0.52 0.00 0.00 175.17 175.61 3nqs n ALA 208 N 8.31 4.29 0.33 3.66 0.00 0.28 -4.72 120.51 132.66 3nqs n ALA 208 Ca 0.02 -3.30 0.13 0.00 0.00 0.00 0.00 53.44 50.29 3nqs n ALA 208 Cb 0.48 -0.60 0.57 0.00 0.00 0.00 0.00 19.45 19.90 3nqs n ALA 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nqs h ARG 209 N 1.18 0.00 -0.09 0.00 3.08 -1.72 -2.28 114.38 114.54 3nqs h ARG 209 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3nqs h ARG 209 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3nqs h ARG 209 CO 0.36 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.35 3nqs n ASN 210 N -2.42 2.04 -4.74 7.04 3.02 -1.26 -4.21 115.26 114.72 3nqs n ASN 210 Ca 0.01 -1.70 -0.37 0.00 -0.03 0.00 0.00 54.58 52.49 3nqs n ASN 210 Cb 0.20 -0.05 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 3nqs n ASN 210 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nqs n SER 212 N -1.55 0.15 -4.50 0.00 3.41 -1.26 -4.80 113.62 105.08 3nqs n SER 212 Ca 0.14 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.50 3nqs n SER 212 Cb 0.47 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 3nqs n SER 212 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3nqs s THR 213 N -0.35 2.31 0.23 6.66 -4.23 -1.26 -4.61 115.64 114.41 3nqs s THR 213 Ca 0.00 -2.30 -0.06 0.00 -1.18 0.00 0.00 61.69 58.15 3nqs s THR 213 Cb 0.00 -2.45 0.17 0.00 1.34 0.00 0.00 72.50 71.56 3nqs s THR 213 CO 0.00 -0.31 1.81 0.00 -0.54 0.00 0.00 174.62 175.57 3nqs h ALA 214 N 2.17 1.11 -0.81 3.99 0.00 -1.91 -1.47 119.26 122.33 3nqs h ALA 214 Ca -0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3nqs h ALA 214 Cb 1.25 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3nqs h ALA 214 CO 0.65 0.64 0.50 0.37 0.00 0.00 0.00 179.25 181.42 3nqs h GLN 215 N 1.12 1.10 -0.42 0.00 5.75 -1.97 -0.57 115.11 120.12 3nqs h GLN 215 Ca 0.26 -0.09 -0.09 0.00 -0.15 0.00 0.00 58.65 58.58 3nqs h GLN 215 Cb 0.19 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3nqs h GLN 215 CO -0.02 0.76 -0.10 0.93 -2.65 0.00 0.00 178.83 177.75 3nqs h GLU 216 N 1.11 0.74 -0.11 1.69 5.08 -1.85 -1.81 114.58 119.43 3nqs h GLU 216 Ca 0.29 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3nqs h GLU 216 Cb -0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3nqs h GLU 216 CO -0.06 0.82 0.06 0.52 -1.00 0.00 0.00 179.01 179.35 3nqs h MET 217 N 0.68 0.15 -0.62 2.33 2.86 -0.50 -1.42 114.93 118.40 3nqs h MET 217 Ca 0.12 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.83 3nqs h MET 217 Cb 0.56 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 3nqs h MET 217 CO 0.03 0.16 0.27 0.35 1.06 0.00 0.00 176.91 178.79 3nqs h PHE 218 N 0.09 0.49 -0.71 -0.22 3.57 -0.91 0.61 116.94 119.85 3nqs h PHE 218 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3nqs h PHE 218 Cb 0.06 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3nqs h PHE 218 CO -0.05 0.16 0.23 1.96 -2.23 0.00 0.00 178.31 178.38 3nqs h GLN 219 N 0.49 1.10 -0.52 1.11 4.20 -1.04 0.09 115.11 120.54 3nqs h GLN 219 Ca 0.31 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 3nqs h GLN 219 Cb 0.33 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3nqs h GLN 219 CO -0.27 0.93 -0.06 0.45 -0.67 0.00 0.00 178.83 179.21 3nqs h HIS 220 N 1.06 1.06 -0.62 2.96 3.86 -0.22 -1.68 115.15 121.57 3nqs h HIS 220 Ca 0.23 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 3nqs h HIS 220 Cb 0.29 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 3nqs h HIS 220 CO 0.02 0.99 0.02 0.82 0.86 0.00 0.00 177.93 180.64 3nqs h ILE 221 N 0.83 1.27 -0.65 2.45 2.04 -0.53 -0.70 117.51 122.20 3nqs h ILE 221 Ca 0.14 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 3nqs h ILE 221 Cb 0.61 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3nqs h ILE 221 CO 0.04 0.42 0.11 0.00 0.00 0.00 0.00 178.15 178.71 3nqs h ARG 223 N 1.01 1.00 0.30 0.00 1.12 -1.00 -1.59 114.38 115.22 3nqs h ARG 223 Ca 0.20 -0.20 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 3nqs h ARG 223 Cb 0.43 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 3nqs h ARG 223 CO 0.01 0.85 -0.14 1.25 -3.11 0.00 0.00 179.97 178.83 3nqs h HIS 224 N 0.94 -0.37 -0.66 2.20 2.76 -0.65 -1.00 115.15 118.38 3nqs h HIS 224 Ca 0.22 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.47 3nqs h HIS 224 Cb 0.24 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.25 3nqs h HIS 224 CO 0.02 -0.15 0.28 0.82 -1.30 0.00 0.00 177.93 177.60 3nqs h ILE 225 N -0.51 0.79 -0.04 6.26 2.04 -0.98 0.17 117.51 125.24 3nqs h ILE 225 Ca -0.04 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3nqs h ILE 225 Cb 0.38 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3nqs h ILE 225 CO 0.07 0.09 0.02 0.25 0.00 0.00 0.00 178.15 178.57 3nqs h LEU 226 N 0.48 0.06 0.01 1.44 5.85 -1.16 -0.82 115.31 121.17 3nqs h LEU 226 Ca 0.33 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3nqs h LEU 226 Cb 0.39 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3nqs h LEU 226 CO -0.30 0.21 -0.01 0.22 -0.34 0.00 0.00 178.44 178.23 3nqs h TYR 227 N -0.10 -0.02 -0.67 1.25 3.20 -0.64 -2.61 116.97 117.38 3nqs h TYR 227 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3nqs h TYR 227 Cb 0.17 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3nqs h TYR 227 CO -0.02 -0.01 0.37 0.00 -1.64 0.00 0.00 178.16 176.86 3nqs h ALA 228 N 0.97 0.86 -0.35 1.82 0.00 -0.63 -3.12 119.26 118.79 3nqs h ALA 228 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3nqs h ALA 228 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3nqs h ALA 228 CO 0.00 0.37 0.13 1.15 0.00 0.00 0.00 179.25 180.90 3nqs h THR 229 N 0.92 1.20 -6.96 0.00 2.02 -1.12 0.79 112.91 109.76 3nqs h THR 229 Ca 0.24 -0.63 -0.59 0.00 0.77 0.00 0.00 66.41 66.19 3nqs h THR 229 Cb 0.04 0.95 -0.23 0.00 -1.74 0.00 0.00 68.15 67.17 3nqs h THR 229 CO -0.04 0.22 -0.91 -3.20 0.37 0.00 0.00 175.52 171.96 3nqs n ASN 230 N -4.66 -0.84 -3.08 4.18 5.15 -0.99 -0.94 115.26 114.07 3nqs n ASN 230 Ca -0.01 -1.17 -0.22 0.00 -0.60 0.00 0.00 54.58 52.57 3nqs n ASN 230 Cb 0.16 -2.07 0.02 0.00 -0.53 0.00 0.00 39.78 37.36 3nqs n ASN 230 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3nqs n ASN 231 N -2.74 -5.36 0.00 1.20 5.15 -1.26 -2.18 115.26 110.07 3nqs n ASN 231 Ca -0.12 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 3nqs n ASN 231 Cb 0.59 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 3nqs n ASN 231 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3nqs n GLY 232 N -1.38 2.44 3.18 8.20 0.00 -0.12 -4.94 105.19 112.57 3nqs n GLY 232 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3nqs n GLY 232 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3nqs n ASN 233 N 0.00 4.91 -4.59 1.61 5.15 -0.93 -1.03 115.26 120.39 3nqs n ASN 233 Ca 0.00 -2.99 -0.48 0.00 -0.60 0.00 0.00 54.58 50.51 3nqs n ASN 233 Cb 0.00 -1.59 -0.04 0.00 -0.53 0.00 0.00 39.78 37.62 3nqs n ASN 233 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3nqs n ILE 234 N 4.62 0.86 -4.85 -1.44 2.08 -1.24 -4.52 119.36 114.87 3nqs n ILE 234 Ca 0.42 -0.22 -0.26 0.00 0.56 0.00 0.00 62.75 63.26 3nqs n ILE 234 Cb 0.41 -0.92 -0.16 0.00 -0.75 0.00 0.00 39.64 38.22 3nqs n ILE 234 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3nqs s ARG 235 N -0.35 1.84 0.19 0.38 0.52 0.27 -4.97 118.95 116.83 3nqs s ARG 235 Ca 0.73 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 3nqs s ARG 235 Cb -0.83 -1.59 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 3nqs s ARG 235 CO 0.52 0.23 1.17 -1.12 0.02 0.00 0.00 175.30 176.12 3nqs s SER 236 N 0.08 7.14 0.16 0.23 0.01 -1.26 -4.42 113.70 115.63 3nqs s SER 236 Ca -0.05 2.20 -0.17 0.00 1.31 0.00 0.00 55.95 59.24 3nqs s SER 236 Cb -0.12 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.54 3nqs s SER 236 CO 0.03 -0.32 0.46 0.00 0.41 0.00 0.00 173.24 173.81 3nqs s ALA 237 N -0.16 -0.94 -0.07 1.44 0.00 -1.01 -1.92 121.76 119.09 3nqs s ALA 237 Ca 0.51 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 3nqs s ALA 237 Cb -0.32 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3nqs s ALA 237 CO 0.36 -0.71 0.18 -1.50 0.00 0.00 0.00 175.76 174.09 3nqs s ILE 238 N -3.83 -0.00 -0.21 0.00 2.07 -0.15 -1.20 121.20 117.87 3nqs s ILE 238 Ca 0.06 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 3nqs s ILE 238 Cb 0.01 -0.26 -0.00 0.00 0.13 0.00 0.00 42.46 42.33 3nqs s ILE 238 CO -0.08 0.01 -0.09 -0.89 -1.91 0.00 0.00 174.94 171.98 3nqs s THR 239 N 0.21 3.01 -0.35 4.00 2.01 -0.44 -0.38 115.64 123.69 3nqs s THR 239 Ca -0.01 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 3nqs s THR 239 Cb -0.02 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 3nqs s THR 239 CO -0.00 0.46 0.29 -0.69 -0.69 0.00 0.00 174.62 173.98 3nqs s VAL 240 N 1.42 5.24 0.68 3.82 1.01 0.01 -3.26 120.40 129.31 3nqs s VAL 240 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 3nqs s VAL 240 Cb -0.14 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.53 3nqs s VAL 240 CO -0.06 -0.10 0.95 -0.36 0.00 0.00 0.00 175.10 175.54 3nqs s PHE 241 N 1.82 2.41 0.22 5.22 0.40 -0.82 -0.56 117.98 126.67 3nqs s PHE 241 Ca 0.08 0.07 -0.32 0.00 -0.60 0.00 0.00 56.93 56.16 3nqs s PHE 241 Cb -0.17 -3.06 -0.14 0.00 0.51 0.00 0.00 43.02 40.16 3nqs s PHE 241 CO 0.11 -1.41 1.29 -2.30 0.70 0.00 0.00 175.22 173.61 3nqs n PRO 242 N -2.77 1.68 -1.47 0.24 -0.02 -1.24 -4.61 135.00 126.81 3nqs n PRO 242 Ca 0.11 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 3nqs n PRO 242 Cb 0.60 -2.18 0.08 0.00 -0.02 0.00 0.00 33.50 31.99 3nqs n PRO 242 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3nqs s GLN 243 N -0.50 2.29 0.21 -0.52 -2.07 -1.26 -4.62 119.66 113.19 3nqs s GLN 243 Ca 0.69 1.54 -0.31 0.00 -1.82 0.00 0.00 55.36 55.46 3nqs s GLN 243 Cb -0.72 -1.87 -0.11 0.00 -1.09 0.00 0.00 33.01 29.22 3nqs s GLN 243 CO 0.51 -1.67 1.56 0.50 -1.32 0.00 0.00 175.29 174.87 3nqs s ARG 244 N -4.15 4.20 0.00 9.60 3.52 0.11 -4.96 118.95 127.27 3nqs s ARG 244 Ca 0.69 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.71 3nqs s ARG 244 Cb -0.24 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3nqs s ARG 244 CO 0.46 -0.58 0.00 -1.13 -0.81 0.00 0.00 175.30 173.24 3nqs n SER 245 N 3.27 0.00 -0.71 -2.12 3.41 -1.26 -4.76 113.62 111.44 3nqs n SER 245 Ca 0.11 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.81 3nqs n SER 245 Cb 0.38 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 3nqs n SER 245 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3nqs n ASP 246 N -0.99 2.50 0.00 4.04 5.75 -1.26 -4.38 116.55 122.21 3nqs n ASP 246 Ca 0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3nqs n ASP 246 Cb 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3nqs n ASP 246 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nqs n GLY 247 N 1.00 1.25 0.09 6.12 0.00 -1.26 -2.05 105.19 110.33 3nqs n GLY 247 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3nqs n GLY 247 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nqs n LYS 248 N -2.00 0.66 -2.17 1.61 5.02 -1.26 -4.44 118.16 115.58 3nqs n LYS 248 Ca 0.00 -0.17 -0.20 0.00 -2.02 0.00 0.00 58.31 55.92 3nqs n LYS 248 Cb 0.00 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3nqs n LYS 248 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3nqs n HIS 249 N -1.20 2.49 -2.17 2.13 8.25 -1.26 -4.18 115.22 119.27 3nqs n HIS 249 Ca 0.05 -2.21 -0.41 0.00 -0.26 0.00 0.00 57.72 54.88 3nqs n HIS 249 Cb 0.33 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 3nqs n HIS 249 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3nqs s ASP 250 N -3.64 6.85 -0.15 0.41 1.01 -1.26 -3.51 116.67 116.38 3nqs s ASP 250 Ca 0.47 2.59 -0.16 0.00 0.71 0.00 0.00 52.55 56.15 3nqs s ASP 250 Cb 0.39 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3nqs s ASP 250 CO 0.02 -0.49 0.41 -0.36 0.21 0.00 0.00 175.17 174.96 3nqs s PHE 251 N -0.89 3.46 -0.05 4.23 0.40 -1.26 -1.83 117.98 122.03 3nqs s PHE 251 Ca 0.50 0.73 -0.07 0.00 -0.60 0.00 0.00 56.93 57.50 3nqs s PHE 251 Cb -0.38 -2.49 0.01 0.00 0.51 0.00 0.00 43.02 40.67 3nqs s PHE 251 CO 0.48 0.14 0.18 1.03 0.70 0.00 0.00 175.22 177.75 3nqs s ARG 252 N 0.78 0.29 -0.25 0.44 1.81 0.09 -3.08 118.95 119.02 3nqs s ARG 252 Ca 0.21 0.10 -0.09 0.00 -1.72 0.00 0.00 55.73 54.23 3nqs s ARG 252 Cb -0.14 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 3nqs s ARG 252 CO 0.08 -0.05 0.11 -0.51 -0.68 0.00 0.00 175.30 174.25 3nqs s LEU 253 N -0.27 3.69 0.46 2.53 1.02 -1.26 -0.62 118.68 124.22 3nqs s LEU 253 Ca -0.04 -0.11 0.26 0.00 0.02 0.00 0.00 54.13 54.27 3nqs s LEU 253 Cb -0.03 -2.00 0.83 0.00 0.02 0.00 0.00 46.19 45.01 3nqs s LEU 253 CO 0.01 -0.02 1.78 -0.50 0.02 0.00 0.00 176.35 177.64 3nqs h TRP 254 N 8.13 0.00 -4.05 0.29 4.06 -1.44 -3.41 115.95 119.52 3nqs h TRP 254 Ca -0.37 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.08 3nqs h TRP 254 Cb 1.18 0.00 0.07 0.00 -1.00 0.00 0.00 29.16 29.41 3nqs h TRP 254 CO 0.69 0.13 0.45 -0.80 -3.56 0.00 0.00 178.44 175.35 3nqs s ASN 255 N -6.07 5.92 0.10 -3.49 -0.87 -1.26 -4.95 114.94 104.32 3nqs s ASN 255 Ca 0.03 2.21 -0.07 0.00 -1.57 0.00 0.00 52.86 53.46 3nqs s ASN 255 Cb 0.08 -2.59 -0.20 0.00 -0.02 0.00 0.00 41.25 38.53 3nqs s ASN 255 CO 0.63 -1.08 1.21 0.28 -2.57 0.00 0.00 177.10 175.56 3nqs h SER 256 N 1.54 0.59 -4.43 -1.22 0.02 -1.93 -3.26 113.55 104.86 3nqs h SER 256 Ca -0.50 -0.53 -0.32 0.00 -0.84 0.00 0.00 61.79 59.60 3nqs h SER 256 Cb 1.25 -0.18 -0.18 0.00 0.14 0.00 0.00 62.40 63.43 3nqs h SER 256 CO 0.58 1.36 -0.73 -1.10 -1.14 0.00 0.00 176.83 175.80 3nqs s GLN 257 N -3.02 0.82 0.12 3.45 1.11 -1.26 -0.95 119.66 119.93 3nqs s GLN 257 Ca -0.06 -1.12 -0.17 0.00 0.01 0.00 0.00 55.36 54.02 3nqs s GLN 257 Cb 0.07 -0.51 -0.03 0.00 -1.01 0.00 0.00 33.01 31.54 3nqs s GLN 257 CO 0.89 0.08 1.67 -0.07 0.01 0.00 0.00 175.29 177.87 3nqs h LEU 258 N 3.64 0.48 -8.51 2.90 3.38 -1.68 -3.41 115.31 112.10 3nqs h LEU 258 Ca -0.37 -0.16 -0.66 0.00 0.09 0.00 0.00 57.88 56.78 3nqs h LEU 258 Cb 1.19 -0.12 -0.28 0.00 0.09 0.00 0.00 40.66 41.54 3nqs h LEU 258 CO 0.52 0.51 -0.77 -0.63 0.09 0.00 0.00 178.44 178.15 3nqs s ILE 259 N -5.58 2.96 -0.11 1.22 -1.09 -1.26 -4.89 121.20 112.45 3nqs s ILE 259 Ca -0.13 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 57.31 3nqs s ILE 259 Cb 0.09 -2.26 0.08 0.00 -1.58 0.00 0.00 42.46 38.80 3nqs s ILE 259 CO 0.74 0.51 0.74 -0.60 -1.23 0.00 0.00 174.94 175.10 3nqs s ARG 260 N 0.62 0.94 0.21 2.79 6.06 -1.26 -4.86 118.95 123.45 3nqs s ARG 260 Ca -0.07 0.39 -0.09 0.00 -2.50 0.00 0.00 55.73 53.46 3nqs s ARG 260 Cb -0.16 0.44 -0.07 0.00 0.06 0.00 0.00 34.95 35.23 3nqs s ARG 260 CO 0.03 -0.26 0.52 0.71 -2.50 0.00 0.00 175.30 173.81 3nqs s TYR 261 N -0.84 3.44 0.64 5.12 2.02 -1.26 -0.50 117.35 125.97 3nqs s TYR 261 Ca -0.07 0.84 -0.11 0.00 -0.37 0.00 0.00 57.07 57.35 3nqs s TYR 261 Cb -0.01 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 3nqs s TYR 261 CO 0.07 0.30 1.04 0.00 -1.57 0.00 0.00 175.55 175.38 3nqs s ALA 262 N -1.78 3.01 -0.05 3.71 0.00 0.53 -4.55 121.76 122.62 3nqs s ALA 262 Ca 0.46 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.39 3nqs s ALA 262 Cb -0.11 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3nqs s ALA 262 CO 0.21 -0.81 -0.12 0.20 0.00 0.00 0.00 175.76 175.24 3nqs s GLY 263 N -4.11 0.75 -0.04 0.00 0.00 -1.25 -1.28 107.32 101.39 3nqs s GLY 263 Ca 0.56 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.89 3nqs s GLY 263 CO 0.54 -0.01 -0.19 -0.19 0.00 0.00 0.00 173.10 173.25 3nqs s TYR 264 N 0.44 1.86 -0.83 1.90 1.51 0.18 -4.35 117.35 118.07 3nqs s TYR 264 Ca -0.10 -0.53 -0.19 0.00 -1.01 0.00 0.00 57.07 55.24 3nqs s TYR 264 Cb -0.13 -1.24 0.12 0.00 -0.11 0.00 0.00 41.96 40.59 3nqs s TYR 264 CO 0.03 -0.17 1.03 -1.14 -1.11 0.00 0.00 175.55 174.19 3nqs s GLN 265 N -0.04 3.43 0.79 -0.62 -0.44 -1.26 -0.42 119.66 121.11 3nqs s GLN 265 Ca -0.03 -1.52 -0.12 0.00 -2.50 0.00 0.00 55.36 51.18 3nqs s GLN 265 Cb -0.12 -4.67 0.08 0.00 -1.64 0.00 0.00 33.01 26.66 3nqs s GLN 265 CO 0.02 -1.74 1.16 -1.64 0.50 0.00 0.00 175.29 173.59 3nqs s MET 266 N 2.93 1.83 0.27 1.67 -1.94 -0.24 -4.92 119.30 118.91 3nqs s MET 266 Ca 0.28 1.55 -0.00 0.00 -1.71 0.00 0.00 55.69 55.80 3nqs s MET 266 Cb -0.10 -1.82 0.50 0.00 2.01 0.00 0.00 34.83 35.43 3nqs s MET 266 CO -0.03 -2.02 1.84 -1.35 -0.01 0.00 0.00 175.02 173.45 3nqs h PRO 267 N -0.95 0.99 0.00 2.03 0.11 -1.96 -1.38 132.00 130.83 3nqs h PRO 267 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3nqs h PRO 267 Cb 1.27 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3nqs h PRO 267 CO 0.48 0.65 0.00 -0.40 -0.21 0.00 0.00 178.00 178.52 3nqs n ASP 268 N -4.61 0.00 0.00 -2.05 5.68 -1.26 -4.87 116.55 109.44 3nqs n ASP 268 Ca 0.18 -0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 3nqs n ASP 268 Cb 0.31 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3nqs n ASP 268 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3nqs n GLY 269 N 0.36 2.61 3.81 6.12 0.00 -0.52 -5.07 105.19 112.50 3nqs n GLY 269 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3nqs n GLY 269 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nqs s THR 270 N -2.72 3.90 -0.18 2.61 -4.23 -1.26 -4.76 115.64 109.00 3nqs s THR 270 Ca 0.00 0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 61.25 3nqs s THR 270 Cb 0.00 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 3nqs s THR 270 CO 0.00 -0.60 0.12 -0.63 -0.54 0.00 0.00 174.62 172.97 3nqs s ILE 271 N -2.61 5.32 -0.07 2.99 -1.09 -1.26 -1.08 121.20 123.40 3nqs s ILE 271 Ca 0.62 0.16 0.03 0.00 -2.23 0.00 0.00 60.65 59.23 3nqs s ILE 271 Cb -0.15 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3nqs s ILE 271 CO 0.41 0.47 -0.16 -0.60 -1.23 0.00 0.00 174.94 173.83 3nqs s ARG 272 N 0.14 2.75 2.25 2.79 3.52 0.45 -4.95 118.95 125.89 3nqs s ARG 272 Ca 0.08 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 3nqs s ARG 272 Cb -0.11 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 3nqs s ARG 272 CO -0.01 0.46 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 3nqs n GLY 273 N 2.77 0.31 3.45 8.12 0.00 -1.26 0.51 105.19 119.10 3nqs n GLY 273 Ca -0.17 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 3nqs n GLY 273 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nqs s ASP 274 N -4.00 6.21 0.60 1.61 -1.08 -0.41 -4.76 116.67 114.84 3nqs s ASP 274 Ca 0.00 -0.94 0.29 0.00 -0.52 0.00 0.00 52.55 51.37 3nqs s ASP 274 Cb 0.00 -2.38 1.50 0.00 -1.46 0.00 0.00 42.92 40.58 3nqs s ASP 274 CO 0.00 -1.26 1.92 0.00 0.52 0.00 0.00 175.17 176.35 3nqs h ALA 275 N 9.36 2.07 0.00 3.66 0.00 -1.77 -0.31 119.26 132.27 3nqs h ALA 275 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3nqs h ALA 275 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3nqs h ALA 275 CO 1.12 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3nqs n ALA 276 N -2.30 2.01 -1.02 0.00 0.00 -1.24 -3.38 120.51 114.58 3nqs n ALA 276 Ca 0.07 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 3nqs n ALA 276 Cb 0.61 -1.41 0.27 0.00 0.00 0.00 0.00 19.45 18.92 3nqs n ALA 276 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3nqs n THR 277 N -2.03 2.39 0.07 0.00 -2.24 -0.13 -4.74 114.28 107.60 3nqs n THR 277 Ca 0.04 -1.88 -0.12 0.00 -2.27 0.00 0.00 64.05 59.83 3nqs n THR 277 Cb 0.32 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 3nqs n THR 277 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3nqs h LEU 278 N 2.02 -0.82 -0.26 3.22 3.38 -1.68 0.11 115.31 121.29 3nqs h LEU 278 Ca 0.03 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3nqs h LEU 278 Cb 1.56 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3nqs h LEU 278 CO 0.29 -0.35 0.12 -0.08 0.09 0.00 0.00 178.44 178.51 3nqs h GLU 279 N -0.44 0.38 -0.34 1.13 4.81 -1.89 -1.73 114.58 116.50 3nqs h GLU 279 Ca 0.05 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3nqs h GLU 279 Cb 0.51 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3nqs h GLU 279 CO -0.22 0.38 -0.12 0.35 -0.73 0.00 0.00 179.01 178.67 3nqs h PHE 280 N 0.29 0.64 -0.49 0.92 3.57 -1.86 -1.32 116.94 118.68 3nqs h PHE 280 Ca 0.09 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3nqs h PHE 280 Cb 0.13 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3nqs h PHE 280 CO -0.02 0.69 0.18 1.15 -2.23 0.00 0.00 178.31 178.09 3nqs h THR 281 N 0.54 1.22 -0.86 4.41 2.02 -0.58 -1.85 112.91 117.81 3nqs h THR 281 Ca 0.10 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3nqs h THR 281 Cb 0.53 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3nqs h THR 281 CO 0.03 0.26 0.53 -0.61 0.37 0.00 0.00 175.52 176.10 3nqs h GLN 282 N 0.66 1.15 -0.73 6.66 5.75 -0.87 -1.27 115.11 126.46 3nqs h GLN 282 Ca 0.16 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3nqs h GLN 282 Cb 0.22 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 3nqs h GLN 282 CO -0.01 0.80 0.47 1.25 -2.65 0.00 0.00 178.83 178.69 3nqs h LEU 283 N 1.17 0.79 -0.62 -2.39 5.85 -0.87 0.12 115.31 119.37 3nqs h LEU 283 Ca 0.31 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3nqs h LEU 283 Cb -0.07 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3nqs h LEU 283 CO -0.06 0.56 0.30 0.00 -0.34 0.00 0.00 178.44 178.90 3nqs h ILE 285 N 0.85 1.25 0.00 0.00 2.04 -0.44 -1.16 117.51 120.04 3nqs h ILE 285 Ca 0.21 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3nqs h ILE 285 Cb 0.11 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3nqs h ILE 285 CO -0.03 0.29 -0.21 0.44 0.00 0.00 0.00 178.15 178.64 3nqs h ASP 286 N 1.12 0.00 -0.26 1.72 3.32 -0.37 -2.14 116.42 119.82 3nqs h ASP 286 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3nqs h ASP 286 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3nqs h ASP 286 CO -0.04 0.21 0.00 0.18 -1.72 0.00 0.00 179.24 177.87 3nqs n LEU 287 N -4.29 1.57 0.00 1.55 4.77 -0.66 -4.91 117.00 115.04 3nqs n LEU 287 Ca -0.02 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3nqs n LEU 287 Cb 0.27 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3nqs n LEU 287 CO 0.37 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3nqs n GLY 288 N 1.02 0.43 3.77 -0.72 0.00 -0.80 -4.82 105.19 104.07 3nqs n GLY 288 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3nqs n GLY 288 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3nqs s TRP 289 N -2.00 3.10 -0.35 1.61 -0.00 -0.52 -4.98 118.94 115.79 3nqs s TRP 289 Ca 0.00 1.45 -0.23 0.00 -0.00 0.00 0.00 56.10 57.33 3nqs s TRP 289 Cb 0.00 -3.62 0.01 0.00 -0.00 0.00 0.00 33.47 29.85 3nqs s TRP 289 CO 0.00 -1.70 0.75 0.15 -0.00 0.00 0.00 176.95 176.15 3nqs s LYS 290 N -1.80 3.76 0.16 5.86 3.01 -1.26 -4.29 119.74 125.18 3nqs s LYS 290 Ca 0.49 0.29 -0.31 0.00 -1.01 0.00 0.00 55.97 55.43 3nqs s LYS 290 Cb -0.38 -3.80 -0.08 0.00 -1.01 0.00 0.00 37.83 32.55 3nqs s LYS 290 CO 0.51 -0.80 1.36 -1.25 0.51 0.00 0.00 175.35 175.67 3nqs s PRO 291 N 2.99 4.35 0.00 -1.68 0.04 -1.26 -4.93 135.00 134.52 3nqs s PRO 291 Ca 0.30 2.08 0.20 0.00 0.04 0.00 0.00 61.00 63.62 3nqs s PRO 291 Cb -0.14 -3.21 0.18 0.00 0.04 0.00 0.00 34.50 31.37 3nqs s PRO 291 CO 0.16 -0.35 1.14 0.54 0.04 0.00 0.00 177.00 178.53 3nqs n ARG 292 N 3.22 1.79 -4.27 4.56 1.74 -1.26 -4.99 116.66 117.45 3nqs n ARG 292 Ca 0.09 -1.72 -0.37 0.00 -0.77 0.00 0.00 57.85 55.07 3nqs n ARG 292 Cb 0.42 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 3nqs n ARG 292 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3nqs n TYR 293 N 1.12 -1.63 -3.26 -1.55 4.01 -1.26 -4.96 117.16 109.63 3nqs n TYR 293 Ca 0.12 0.77 -0.21 0.00 -0.16 0.00 0.00 57.90 58.43 3nqs n TYR 293 Cb 0.50 -2.79 0.03 0.00 -0.31 0.00 0.00 39.34 36.77 3nqs n TYR 293 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3nqs s GLY 294 N -3.35 1.93 0.15 2.72 0.00 -1.26 -5.03 107.32 102.48 3nqs s GLY 294 Ca 0.72 -1.87 0.17 0.00 0.00 0.00 0.00 44.72 43.73 3nqs s GLY 294 CO 0.95 -1.71 1.05 -0.09 0.00 0.00 0.00 173.10 173.29 3nqs h ARG 295 N 0.44 0.00 -1.87 2.90 2.43 -1.92 -3.37 114.38 112.99 3nqs h ARG 295 Ca -0.34 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.34 3nqs h ARG 295 Cb 1.29 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.43 3nqs h ARG 295 CO 0.46 0.34 -1.06 1.19 -1.51 0.00 0.00 179.97 179.40 3nqs n PHE 296 N -2.99 1.33 -3.13 2.20 3.72 -1.26 -4.09 117.46 113.24 3nqs n PHE 296 Ca -0.05 -3.65 -0.41 0.00 -0.05 0.00 0.00 57.45 53.29 3nqs n PHE 296 Cb 0.78 -0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 38.85 3nqs n PHE 296 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3nqs s ASP 297 N -2.82 6.51 0.08 4.37 1.01 -1.26 -4.93 116.67 119.63 3nqs s ASP 297 Ca 0.40 0.53 -0.31 0.00 0.71 0.00 0.00 52.55 53.88 3nqs s ASP 297 Cb 0.36 -2.33 -0.08 0.00 1.01 0.00 0.00 42.92 41.88 3nqs s ASP 297 CO -0.08 -0.42 1.61 -0.69 0.21 0.00 0.00 175.17 175.81 3nqs s VAL 298 N 2.53 3.04 0.55 -1.27 1.01 -1.26 -0.35 120.40 124.65 3nqs s VAL 298 Ca 0.25 0.54 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 3nqs s VAL 298 Cb -0.15 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3nqs s VAL 298 CO 0.10 0.01 1.09 -0.76 0.00 0.00 0.00 175.10 175.54 3nqs s LEU 299 N 2.36 3.70 0.61 3.92 1.43 0.35 -4.87 118.68 126.19 3nqs s LEU 299 Ca 0.72 2.04 -0.10 0.00 -1.03 0.00 0.00 54.13 55.77 3nqs s LEU 299 Cb -0.40 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.23 3nqs s LEU 299 CO 0.32 -1.14 0.99 -2.16 0.23 0.00 0.00 176.35 174.58 3nqs s PRO 300 N -3.46 3.39 0.02 1.29 0.04 -1.26 -4.65 135.00 130.36 3nqs s PRO 300 Ca 0.69 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 3nqs s PRO 300 Cb -0.20 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 3nqs s PRO 300 CO 0.28 -0.61 0.94 -0.51 0.04 0.00 0.00 177.00 177.14 3nqs s LEU 301 N -5.13 4.39 -0.44 -3.56 1.43 0.86 -4.86 118.68 111.39 3nqs s LEU 301 Ca 0.54 1.64 -0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3nqs s LEU 301 Cb -0.11 -3.52 0.10 0.00 0.03 0.00 0.00 46.19 42.70 3nqs s LEU 301 CO 0.51 -0.20 0.28 -0.69 0.23 0.00 0.00 176.35 176.48 3nqs s VAL 302 N 0.74 3.93 -0.16 -1.59 1.01 -1.26 -0.58 120.40 122.48 3nqs s VAL 302 Ca 0.49 -1.75 -0.05 0.00 0.00 0.00 0.00 61.98 60.67 3nqs s VAL 302 Cb -0.21 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3nqs s VAL 302 CO 0.27 -0.67 0.00 -0.76 0.00 0.00 0.00 175.10 173.95 3nqs s LEU 303 N 1.31 3.49 -0.22 3.92 1.43 0.05 -1.06 118.68 127.60 3nqs s LEU 303 Ca 0.05 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 3nqs s LEU 303 Cb -0.24 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3nqs s LEU 303 CO -0.01 0.18 -0.03 -1.58 0.23 0.00 0.00 176.35 175.14 3nqs s GLN 304 N 0.32 3.43 -0.05 1.70 0.74 0.21 -0.24 119.66 125.77 3nqs s GLN 304 Ca -0.01 -0.60 0.06 0.00 0.05 0.00 0.00 55.36 54.86 3nqs s GLN 304 Cb -0.13 -3.05 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 3nqs s GLN 304 CO 0.02 -0.18 -0.22 0.00 -0.55 0.00 0.00 175.29 174.35 3nqs s ALA 305 N 1.45 1.95 -1.55 1.58 0.00 -1.26 -0.73 121.76 123.20 3nqs s ALA 305 Ca 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 3nqs s ALA 305 Cb -0.14 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.45 3nqs s ALA 305 CO -0.02 0.38 0.64 -3.47 0.00 0.00 0.00 175.76 173.29 3nqs n ASP 306 N 2.97 -2.11 0.00 0.00 -0.08 -1.24 -0.74 116.55 115.34 3nqs n ASP 306 Ca -0.17 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.12 3nqs n ASP 306 Cb 0.52 -3.02 0.00 0.00 2.34 0.00 0.00 41.12 40.96 3nqs n ASP 306 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3nqs n GLY 307 N -1.70 1.26 3.70 0.27 0.00 -0.76 -4.64 105.19 103.32 3nqs n GLY 307 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3nqs n GLY 307 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3nqs s GLN 308 N -0.14 1.25 0.51 1.61 -1.52 0.08 -4.91 119.66 116.54 3nqs s GLN 308 Ca 0.00 1.06 -0.23 0.00 -1.95 0.00 0.00 55.36 54.24 3nqs s GLN 308 Cb 0.00 -1.79 -0.06 0.00 -0.22 0.00 0.00 33.01 30.94 3nqs s GLN 308 CO 0.00 -2.31 1.39 -0.51 -0.25 0.00 0.00 175.29 173.60 3nqs s ASP 309 N -3.17 5.52 0.34 5.90 1.11 -1.26 -4.20 116.67 120.90 3nqs s ASP 309 Ca 0.64 2.83 -0.29 0.00 0.18 0.00 0.00 52.55 55.91 3nqs s ASP 309 Cb -0.19 -2.64 -0.11 0.00 1.07 0.00 0.00 42.92 41.05 3nqs s ASP 309 CO 0.58 -1.41 1.42 -2.16 1.18 0.00 0.00 175.17 174.77 3nqs s PRO 310 N -2.72 4.23 -0.04 8.23 0.04 -1.26 -4.70 135.00 138.78 3nqs s PRO 310 Ca 0.67 2.40 0.04 0.00 0.04 0.00 0.00 61.00 64.15 3nqs s PRO 310 Cb -0.42 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 3nqs s PRO 310 CO 0.51 -0.39 -0.13 -1.21 0.04 0.00 0.00 177.00 175.83 3nqs s GLU 311 N -1.67 2.50 -0.04 4.56 2.02 0.66 -4.86 118.70 121.87 3nqs s GLU 311 Ca 0.53 -0.71 -0.19 0.00 0.02 0.00 0.00 54.97 54.62 3nqs s GLU 311 Cb -0.43 -2.40 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 3nqs s GLU 311 CO 0.56 0.62 0.54 0.08 0.02 0.00 0.00 175.26 177.08 3nqs s VAL 312 N -0.79 5.02 -0.06 2.63 1.01 -1.26 -0.77 120.40 126.18 3nqs s VAL 312 Ca 0.12 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 3nqs s VAL 312 Cb -0.11 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3nqs s VAL 312 CO 0.02 0.40 0.02 -0.36 0.00 0.00 0.00 175.10 175.18 3nqs s PHE 313 N 0.01 0.43 0.24 5.22 0.08 0.25 -4.98 117.98 119.23 3nqs s PHE 313 Ca 0.29 0.00 -0.30 0.00 0.12 0.00 0.00 56.93 57.04 3nqs s PHE 313 Cb -0.17 -0.67 -0.09 0.00 -0.57 0.00 0.00 43.02 41.52 3nqs s PHE 313 CO 0.15 -0.27 1.13 -1.21 -0.10 0.00 0.00 175.22 174.91 3nqs s GLU 314 N 2.03 4.59 -0.09 0.44 2.02 -1.26 -0.10 118.70 126.32 3nqs s GLU 314 Ca 0.05 1.82 -0.28 0.00 0.02 0.00 0.00 54.97 56.58 3nqs s GLU 314 Cb -0.12 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 3nqs s GLU 314 CO -0.04 0.11 0.93 0.42 0.02 0.00 0.00 175.26 176.69 3nqs s ILE 315 N -0.76 4.85 -0.02 -1.63 1.01 -1.26 -4.90 121.20 118.49 3nqs s ILE 315 Ca 0.47 1.89 -0.32 0.00 0.00 0.00 0.00 60.65 62.69 3nqs s ILE 315 Cb -0.32 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 37.80 3nqs s ILE 315 CO 0.39 0.07 1.93 -2.65 0.00 0.00 0.00 174.94 174.68 3nqs n PRO 316 N 4.69 2.54 -0.30 2.79 -0.02 -1.26 -4.85 135.00 138.59 3nqs n PRO 316 Ca 0.06 0.93 0.31 0.00 -2.02 0.00 0.00 63.50 62.78 3nqs n PRO 316 Cb 0.49 -2.83 0.68 0.00 -0.02 0.00 0.00 33.50 31.82 3nqs n PRO 316 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3nqs h PRO 317 N 9.88 0.11 0.00 0.52 0.11 -1.95 0.61 132.00 141.29 3nqs h PRO 317 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3nqs h PRO 317 Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3nqs h PRO 317 CO 0.94 0.07 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.33 3nqs h ASP 318 N 0.12 0.00 0.82 -2.05 3.32 -2.04 -2.21 116.42 114.37 3nqs h ASP 318 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 3nqs h ASP 318 Cb 1.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.52 3nqs h ASP 318 CO -0.10 0.04 -0.53 0.18 -1.72 0.00 0.00 179.24 177.11 3nqs n LEU 319 N -3.32 0.61 -4.38 1.55 4.77 0.21 -4.77 117.00 111.67 3nqs n LEU 319 Ca -0.02 0.21 -0.45 0.00 -0.03 0.00 0.00 56.01 55.72 3nqs n LEU 319 Cb 0.18 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3nqs n LEU 319 CO 0.25 -0.01 0.22 -0.69 -1.33 0.00 0.00 177.39 175.82 3nqs s VAL 320 N -3.11 5.04 0.04 4.08 1.01 -0.83 -4.77 120.40 121.85 3nqs s VAL 320 Ca 0.08 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3nqs s VAL 320 Cb 0.15 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3nqs s VAL 320 CO 0.70 -0.82 0.77 -0.22 0.00 0.00 0.00 175.10 175.53 3nqs s LEU 321 N 2.12 4.44 0.16 3.92 2.96 -1.26 -5.01 118.68 126.01 3nqs s LEU 321 Ca 0.08 1.44 0.07 0.00 -0.22 0.00 0.00 54.13 55.50 3nqs s LEU 321 Cb -0.24 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 3nqs s LEU 321 CO 0.07 -0.00 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.35 3nqs s GLU 322 N 0.02 1.16 -0.13 1.98 2.02 -1.26 -1.57 118.70 120.92 3nqs s GLU 322 Ca 0.39 -1.41 0.03 0.00 0.02 0.00 0.00 54.97 53.99 3nqs s GLU 322 Cb -0.20 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.06 3nqs s GLU 322 CO 0.23 0.17 -0.21 0.08 0.02 0.00 0.00 175.26 175.55 3nqs s VAL 323 N -2.61 1.98 -0.00 2.63 1.01 0.28 -4.89 120.40 118.79 3nqs s VAL 323 Ca 0.16 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 3nqs s VAL 323 Cb -0.02 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3nqs s VAL 323 CO 0.04 0.54 0.77 0.42 0.00 0.00 0.00 175.10 176.87 3nqs s THR 324 N 0.76 4.87 -0.15 3.92 -4.23 -1.26 -1.79 115.64 117.76 3nqs s THR 324 Ca -0.09 1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 61.74 3nqs s THR 324 Cb -0.16 -4.11 -0.01 0.00 1.34 0.00 0.00 72.50 69.56 3nqs s THR 324 CO -0.00 0.29 1.05 -0.04 -0.54 0.00 0.00 174.62 175.39 3nqs s MET 325 N 0.41 4.35 0.06 3.99 -1.94 -0.08 -4.83 119.30 121.25 3nqs s MET 325 Ca 0.40 1.43 0.02 0.00 -1.71 0.00 0.00 55.69 55.83 3nqs s MET 325 Cb -0.19 -3.59 -0.03 0.00 2.01 0.00 0.00 34.83 33.03 3nqs s MET 325 CO 0.22 -0.46 -0.08 -1.21 -0.01 0.00 0.00 175.02 173.48 3nqs s GLU 326 N 2.52 0.64 -0.09 2.03 2.02 -1.26 -4.06 118.70 120.50 3nqs s GLU 326 Ca 0.48 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 3nqs s GLU 326 Cb -0.18 -0.33 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 3nqs s GLU 326 CO 0.14 0.05 -0.05 -1.58 0.02 0.00 0.00 175.26 173.84 3nqs s HIS 327 N -1.94 3.01 0.17 1.61 5.65 -1.26 -4.34 115.29 118.19 3nqs s HIS 327 Ca -0.04 -0.01 0.33 0.00 0.25 0.00 0.00 55.06 55.60 3nqs s HIS 327 Cb -0.06 -1.78 1.71 0.00 -1.18 0.00 0.00 32.58 31.26 3nqs s HIS 327 CO -0.01 0.29 2.00 -1.00 -0.65 0.00 0.00 174.74 175.37 3nqs h PRO 328 N 5.54 0.00 0.00 2.88 0.13 -1.92 -3.32 132.00 135.31 3nqs h PRO 328 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3nqs h PRO 328 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3nqs h PRO 328 CO 0.55 0.00 -0.71 1.63 -0.23 0.00 0.00 178.00 179.24 3nqs n LYS 329 N -2.68 0.06 -2.74 0.86 4.76 -1.26 -4.98 118.16 112.18 3nqs n LYS 329 Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3nqs n LYS 329 Cb 0.10 -0.86 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 3nqs n LYS 329 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3nqs s TYR 330 N -1.71 2.53 0.47 2.13 4.12 -1.25 -4.88 117.35 118.76 3nqs s TYR 330 Ca 0.00 -0.32 0.26 0.00 0.02 0.00 0.00 57.07 57.03 3nqs s TYR 330 Cb 0.00 -4.41 1.48 0.00 -1.52 0.00 0.00 41.96 37.51 3nqs s TYR 330 CO 0.00 -1.79 2.11 0.93 0.02 0.00 0.00 175.55 176.82 3nqs h GLU 331 N 9.72 0.00 0.00 -0.62 5.08 -1.94 -1.92 114.58 124.90 3nqs h GLU 331 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3nqs h GLU 331 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3nqs h GLU 331 CO 1.21 0.10 0.00 -2.67 -1.00 0.00 0.00 179.01 176.65 3nqs n TRP 332 N -3.81 0.86 -0.34 4.33 4.27 -1.26 -3.27 117.44 118.23 3nqs n TRP 332 Ca -0.02 0.31 -0.03 0.00 -3.89 0.00 0.00 57.50 53.87 3nqs n TRP 332 Cb 0.20 -1.00 0.09 0.00 -1.36 0.00 0.00 31.31 29.23 3nqs n TRP 332 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3nqs h PHE 333 N 0.00 1.15 -0.02 -2.67 3.57 -1.72 -0.92 116.94 116.33 3nqs h PHE 333 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3nqs h PHE 333 Cb 0.48 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3nqs h PHE 333 CO 0.00 0.73 0.01 0.37 -2.23 0.00 0.00 178.31 177.19 3nqs h GLN 334 N 1.23 0.00 0.00 1.11 -0.00 -1.69 -1.36 115.11 114.39 3nqs h GLN 334 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 3nqs h GLN 334 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.35 3nqs h GLN 334 CO -0.07 0.00 0.00 0.39 0.00 0.00 0.00 178.83 179.15 3nqs n GLU 335 N -4.36 0.17 0.17 1.69 1.02 -0.35 -1.68 120.64 117.29 3nqs n GLU 335 Ca -0.03 0.49 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 3nqs n GLU 335 Cb 0.11 -1.88 0.49 0.00 -0.02 0.00 0.00 31.44 30.14 3nqs n GLU 335 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3nqs h LEU 336 N 0.00 0.00 1.34 -4.62 3.38 -1.30 -3.47 115.31 110.64 3nqs h LEU 336 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3nqs h LEU 336 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 3nqs h LEU 336 CO 0.00 0.00 -0.45 0.61 0.09 0.00 0.00 178.44 178.69 3nqs n GLY 337 N 0.40 -0.28 3.88 0.83 0.00 -0.68 -5.00 105.19 104.35 3nqs n GLY 337 Ca 0.03 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3nqs n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nqs s LEU 338 N -5.08 4.18 0.25 0.99 1.43 -1.26 -5.02 118.68 114.17 3nqs s LEU 338 Ca 0.14 0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 53.85 3nqs s LEU 338 Cb -0.06 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.62 3nqs s LEU 338 CO 0.18 -0.05 0.65 -1.59 0.23 0.00 0.00 176.35 175.77 3nqs s LYS 339 N -2.84 1.63 0.10 1.70 -2.85 -1.26 -0.91 119.74 115.31 3nqs s LYS 339 Ca 0.45 -0.91 -0.18 0.00 -1.00 0.00 0.00 55.97 54.34 3nqs s LYS 339 Cb -0.11 0.58 0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3nqs s LYS 339 CO 0.23 -0.73 0.43 -0.46 0.10 0.00 0.00 175.35 174.92 3nqs s TRP 340 N -3.89 -0.27 0.45 1.78 -0.11 -0.74 -4.95 118.94 111.21 3nqs s TRP 340 Ca 0.10 0.06 -0.21 0.00 1.22 0.00 0.00 56.10 57.28 3nqs s TRP 340 Cb -0.04 0.28 -0.10 0.00 -1.50 0.00 0.00 33.47 32.11 3nqs s TRP 340 CO 0.03 -0.68 0.99 1.52 -4.62 0.00 0.00 176.95 174.19 3nqs s TYR 341 N -3.34 3.18 -0.35 5.86 1.13 -1.26 -0.56 117.35 122.01 3nqs s TYR 341 Ca -0.00 1.60 0.22 0.00 -1.41 0.00 0.00 57.07 57.48 3nqs s TYR 341 Cb 0.01 -2.94 0.21 0.00 -1.10 0.00 0.00 41.96 38.14 3nqs s TYR 341 CO -0.09 -0.41 1.43 0.00 -2.51 0.00 0.00 175.55 173.97 3nqs h ALA 342 N 1.76 0.83 -2.68 9.51 0.00 -1.63 -3.45 119.26 123.59 3nqs h ALA 342 Ca -0.49 -0.06 -0.71 0.00 0.00 0.00 0.00 54.91 53.65 3nqs h ALA 342 Cb 1.20 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 3nqs h ALA 342 CO 0.60 0.08 -0.48 -1.17 0.00 0.00 0.00 179.25 178.28 3nqs s LEU 343 N -5.99 4.81 -0.49 0.00 2.96 -1.26 -4.60 118.68 114.10 3nqs s LEU 343 Ca 0.04 -0.87 -0.20 0.00 -0.22 0.00 0.00 54.13 52.88 3nqs s LEU 343 Cb 0.06 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.72 3nqs s LEU 343 CO 0.71 -0.38 0.67 -2.16 -1.32 0.00 0.00 176.35 173.87 3nqs s PRO 344 N 1.62 3.19 -0.11 0.98 0.04 -1.26 -4.64 135.00 134.83 3nqs s PRO 344 Ca 0.04 -0.65 -0.01 0.00 0.04 0.00 0.00 61.00 60.41 3nqs s PRO 344 Cb -0.19 -4.05 0.03 0.00 0.04 0.00 0.00 34.50 30.33 3nqs s PRO 344 CO 0.08 -1.20 -0.03 0.00 0.04 0.00 0.00 177.00 175.90 3nqs s ALA 345 N 2.87 1.06 -0.08 8.56 0.00 -1.26 -3.02 121.76 129.89 3nqs s ALA 345 Ca 0.19 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 3nqs s ALA 345 Cb -0.17 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 3nqs s ALA 345 CO 0.15 -0.53 1.06 0.08 0.00 0.00 0.00 175.76 176.52 3nqs s VAL 346 N 1.82 4.63 -0.14 0.00 1.01 0.31 -1.82 120.40 126.22 3nqs s VAL 346 Ca 0.04 1.91 0.07 0.00 0.00 0.00 0.00 61.98 64.00 3nqs s VAL 346 Cb -0.13 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3nqs s VAL 346 CO -0.07 0.02 0.21 0.00 0.00 0.00 0.00 175.10 175.26 3nqs n ALA 347 N 4.94 2.53 -0.80 5.51 0.00 -0.13 -1.39 120.51 131.17 3nqs n ALA 347 Ca 0.09 -0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.43 3nqs n ALA 347 Cb 0.48 -0.25 0.24 0.00 0.00 0.00 0.00 19.45 19.92 3nqs n ALA 347 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3nqs n ASN 348 N -1.51 3.75 -4.95 0.00 6.94 -1.23 -4.43 115.26 113.83 3nqs n ASN 348 Ca -0.00 -2.77 -0.24 0.00 -0.02 0.00 0.00 54.58 51.55 3nqs n ASN 348 Cb 0.16 -0.48 0.03 0.00 -2.36 0.00 0.00 39.78 37.13 3nqs n ASN 348 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3nqs s MET 349 N -2.39 2.78 -0.11 -3.83 -1.94 -1.26 -4.40 119.30 108.15 3nqs s MET 349 Ca 0.38 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 53.95 3nqs s MET 349 Cb 0.29 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.69 3nqs s MET 349 CO 0.11 -0.61 -0.17 -1.17 -0.01 0.00 0.00 175.02 173.17 3nqs s LEU 350 N -4.79 2.49 -0.25 -0.03 0.20 -0.09 -4.09 118.68 112.12 3nqs s LEU 350 Ca 0.54 -0.39 -0.17 0.00 0.69 0.00 0.00 54.13 54.79 3nqs s LEU 350 Cb -0.10 -1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 3nqs s LEU 350 CO 0.40 0.19 0.47 -0.22 -0.29 0.00 0.00 176.35 176.90 3nqs s LEU 351 N 0.21 4.07 -0.17 -0.68 2.96 -0.71 -0.47 118.68 123.90 3nqs s LEU 351 Ca -0.11 0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 3nqs s LEU 351 Cb -0.16 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3nqs s LEU 351 CO 0.06 -0.23 0.01 -0.70 -1.32 0.00 0.00 176.35 174.17 3nqs s GLU 352 N 2.06 3.78 -0.18 1.98 -6.30 -0.01 -0.71 118.70 119.32 3nqs s GLU 352 Ca 0.20 -0.45 -0.08 0.00 -2.50 0.00 0.00 54.97 52.14 3nqs s GLU 352 Cb -0.16 -3.05 0.08 0.00 0.00 0.00 0.00 34.13 31.00 3nqs s GLU 352 CO 0.09 0.23 0.41 0.54 0.02 0.00 0.00 175.26 176.55 3nqs s VAL 353 N 0.44 -0.40 -1.22 3.70 0.11 -0.62 -1.60 120.40 120.82 3nqs s VAL 353 Ca -0.01 0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 59.09 3nqs s VAL 353 Cb -0.14 -0.64 0.08 0.00 -1.53 0.00 0.00 36.38 34.16 3nqs s VAL 353 CO 0.02 0.06 0.44 0.61 -3.33 0.00 0.00 175.10 172.90 3nqs n GLY 354 N 4.95 -0.48 1.34 6.54 0.00 -1.26 0.09 105.19 116.37 3nqs n GLY 354 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3nqs n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nqs n GLY 355 N -1.09 2.91 3.85 -0.02 0.00 -1.26 -2.73 105.19 106.84 3nqs n GLY 355 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3nqs n GLY 355 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nqs s LEU 356 N 0.00 3.76 -0.06 0.99 1.43 0.11 -4.96 118.68 119.96 3nqs s LEU 356 Ca 0.00 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 3nqs s LEU 356 Cb 0.00 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.89 3nqs s LEU 356 CO 0.00 -0.47 -0.10 -1.61 0.23 0.00 0.00 176.35 174.40 3nqs s GLU 357 N -3.78 1.41 -0.49 1.70 2.02 -1.26 -1.58 118.70 116.72 3nqs s GLU 357 Ca 0.57 -0.31 -0.00 0.00 0.02 0.00 0.00 54.97 55.25 3nqs s GLU 357 Cb -0.10 -1.23 0.13 0.00 0.10 0.00 0.00 34.13 33.03 3nqs s GLU 357 CO 0.27 -0.01 0.26 -0.06 0.02 0.00 0.00 175.26 175.74 3nqs s PHE 358 N 0.77 3.47 -0.43 1.61 0.40 0.11 0.07 117.98 123.98 3nqs s PHE 358 Ca -0.13 -2.79 0.18 0.00 -0.60 0.00 0.00 56.93 53.59 3nqs s PHE 358 Cb -0.15 -3.08 0.92 0.00 0.51 0.00 0.00 43.02 41.22 3nqs s PHE 358 CO 0.02 -0.88 1.56 -2.30 0.70 0.00 0.00 175.22 174.33 3nqs n PRO 359 N 3.85 0.12 -3.75 0.24 -0.02 -1.26 -1.74 135.00 132.44 3nqs n PRO 359 Ca 0.04 0.55 -0.27 0.00 -2.02 0.00 0.00 63.50 61.79 3nqs n PRO 359 Cb 0.38 -1.84 -0.16 0.00 -0.02 0.00 0.00 33.50 31.85 3nqs n PRO 359 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nqs s ALA 360 N -3.38 1.04 -0.49 3.55 0.00 -1.18 -4.63 121.76 116.67 3nqs s ALA 360 Ca -0.00 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.32 3nqs s ALA 360 Cb 0.06 -1.17 0.24 0.00 0.00 0.00 0.00 23.12 22.25 3nqs s ALA 360 CO 0.21 -1.13 0.86 0.00 0.00 0.00 0.00 175.76 175.71 3nqs s PRO 362 N 0.65 4.28 0.09 0.00 0.04 -1.20 -4.73 135.00 134.13 3nqs s PRO 362 Ca 0.32 2.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 3nqs s PRO 362 Cb 0.21 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 3nqs s PRO 362 CO -0.23 -0.31 -0.00 -0.59 0.04 0.00 0.00 177.00 175.91 3nqs s PHE 363 N -0.96 0.72 0.09 0.56 -0.12 -0.49 -1.33 117.98 116.45 3nqs s PHE 363 Ca 0.51 -1.11 -0.12 0.00 -0.05 0.00 0.00 56.93 56.17 3nqs s PHE 363 Cb -0.42 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 41.53 3nqs s PHE 363 CO 0.54 -0.39 0.27 0.54 -0.05 0.00 0.00 175.22 176.12 3nqs s ASN 364 N -2.99 -0.02 0.00 1.98 4.22 -0.34 -0.53 114.94 117.26 3nqs s ASN 364 Ca 0.14 -0.49 0.00 0.00 -2.14 0.00 0.00 52.86 50.37 3nqs s ASN 364 Cb 0.07 0.38 0.00 0.00 1.28 0.00 0.00 41.25 42.99 3nqs s ASN 364 CO -0.05 -0.75 0.00 0.61 -2.04 0.00 0.00 177.10 174.88 3nqs n GLY 365 N -0.02 5.49 3.44 0.45 0.00 -1.17 -2.41 105.19 110.98 3nqs n GLY 365 Ca -0.16 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 3nqs n GLY 365 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3nqs s TRP 366 N 1.93 2.07 0.58 1.61 -2.14 -1.26 -4.40 118.94 117.32 3nqs s TRP 366 Ca 0.00 -0.51 -0.18 0.00 2.66 0.00 0.00 56.10 58.08 3nqs s TRP 366 Cb 0.00 -1.02 -0.04 0.00 -3.10 0.00 0.00 33.47 29.31 3nqs s TRP 366 CO 0.00 0.50 1.11 0.71 -2.66 0.00 0.00 176.95 176.61 3nqs s TYR 367 N -2.77 2.72 -0.16 1.66 2.02 -1.26 -4.94 117.35 114.63 3nqs s TYR 367 Ca 0.28 1.55 -0.03 0.00 -0.37 0.00 0.00 57.07 58.50 3nqs s TYR 367 Cb -0.01 -3.20 -0.02 0.00 -0.40 0.00 0.00 41.96 38.34 3nqs s TYR 367 CO 0.12 -1.48 -0.07 1.41 -1.57 0.00 0.00 175.55 173.97 3nqs s MET 368 N -3.61 3.51 0.28 -0.62 -2.45 -1.26 -1.93 119.30 113.23 3nqs s MET 368 Ca 0.69 -0.59 -0.02 0.00 -1.25 0.00 0.00 55.69 54.52 3nqs s MET 368 Cb -0.21 -2.86 0.60 0.00 1.25 0.00 0.00 34.83 33.61 3nqs s MET 368 CO 0.32 0.12 1.46 0.41 1.05 0.00 0.00 175.02 178.38 3nqs n GLY 369 N 3.85 -1.40 0.31 2.11 0.00 -0.14 -1.38 105.19 108.54 3nqs n GLY 369 Ca -0.18 0.95 0.15 0.00 0.00 0.00 0.00 46.02 46.95 3nqs n GLY 369 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3nqs h THR 370 N 0.00 0.55 -0.85 2.61 1.35 -1.94 -0.39 112.91 114.24 3nqs h THR 370 Ca 0.52 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.41 3nqs h THR 370 Cb 0.97 0.92 -0.05 0.00 -1.73 0.00 0.00 68.15 68.26 3nqs h THR 370 CO -0.91 0.00 0.55 -0.33 -0.25 0.00 0.00 175.52 174.57 3nqs h GLU 371 N 0.00 1.04 0.00 4.72 5.08 -1.64 0.11 114.58 123.89 3nqs h GLU 371 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3nqs h GLU 371 Cb 0.23 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3nqs h GLU 371 CO -0.00 0.69 -0.56 0.82 -1.00 0.00 0.00 179.01 178.95 3nqs h ILE 372 N 1.07 0.33 -0.53 3.13 2.04 -1.54 -1.65 117.51 120.35 3nqs h ILE 372 Ca 0.34 -1.36 0.04 0.00 1.00 0.00 0.00 64.86 64.88 3nqs h ILE 372 Cb -0.00 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3nqs h ILE 372 CO -0.11 0.11 0.35 1.23 0.00 0.00 0.00 178.15 179.73 3nqs h GLY 373 N -1.00 0.67 0.00 5.37 0.00 -1.14 -1.17 103.07 105.80 3nqs h GLY 373 Ca -0.08 -0.23 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 3nqs h GLY 373 CO -0.05 0.20 -1.60 -0.62 0.00 0.00 0.00 176.54 174.46 3nqs n VAL 374 N -4.47 1.39 0.13 4.60 0.31 0.34 -3.93 118.33 116.71 3nqs n VAL 374 Ca 0.06 -0.08 -0.07 0.00 -0.01 0.00 0.00 64.34 64.25 3nqs n VAL 374 Cb 0.16 -2.04 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 3nqs n VAL 374 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3nqs h ARG 375 N -0.86 -0.40 -0.07 5.55 2.47 -1.41 -1.11 114.38 118.56 3nqs h ARG 375 Ca -0.31 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.46 3nqs h ARG 375 Cb 1.20 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.59 3nqs h ARG 375 CO -0.19 -0.25 -0.03 -0.44 0.56 0.00 0.00 179.97 179.62 3nqs h ASP 376 N -1.10 -0.10 0.46 7.04 3.32 -1.26 -2.08 116.42 122.69 3nqs h ASP 376 Ca -0.04 0.03 -0.31 0.00 0.02 0.00 0.00 57.03 56.73 3nqs h ASP 376 Cb 0.33 0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.95 3nqs h ASP 376 CO 0.07 -0.04 -1.45 -0.26 -1.72 0.00 0.00 179.24 175.84 3nqs h PHE 377 N -0.03 0.58 0.00 4.55 0.04 -1.38 -1.75 116.94 118.95 3nqs h PHE 377 Ca 0.04 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3nqs h PHE 377 Cb 0.08 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3nqs h PHE 377 CO -0.14 1.40 -1.78 0.00 -0.60 0.00 0.00 178.31 177.19 3nqs s ASP 379 N -4.14 6.37 0.39 0.00 1.11 -0.78 -4.67 116.67 114.95 3nqs s ASP 379 Ca -0.05 2.95 0.06 0.00 0.18 0.00 0.00 52.55 55.69 3nqs s ASP 379 Cb 0.14 -2.63 0.80 0.00 1.07 0.00 0.00 42.92 42.29 3nqs s ASP 379 CO 0.85 -0.92 2.03 0.71 1.18 0.00 0.00 175.17 179.02 3nqs h THR 380 N 3.39 1.12 -0.20 -1.27 1.35 -1.92 -1.59 112.91 113.79 3nqs h THR 380 Ca -0.47 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3nqs h THR 380 Cb 1.22 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3nqs h THR 380 CO 0.79 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 176.20 3nqs n GLN 381 N -4.44 1.47 0.00 4.72 0.00 -1.26 -4.50 117.38 113.37 3nqs n GLN 381 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 57.00 56.30 3nqs n GLN 381 Cb 0.09 -1.16 0.00 0.00 0.00 0.00 0.00 30.24 29.17 3nqs n GLN 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3nqs n ARG 382 N 0.09 0.27 0.14 2.61 5.12 -0.61 -3.58 116.66 120.69 3nqs n ARG 382 Ca 0.07 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.11 3nqs n ARG 382 Cb 0.17 0.00 0.48 0.00 -1.16 0.00 0.00 32.46 31.95 3nqs n ARG 382 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3nqs h TYR 383 N 0.00 0.00 -7.05 -1.55 -1.99 -1.44 -3.39 116.97 101.54 3nqs h TYR 383 Ca 0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 3nqs h TYR 383 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 3nqs h TYR 383 CO 0.00 0.00 -0.86 -1.71 -0.00 0.00 0.00 178.16 175.59 3nqs n ASN 384 N -2.34 -3.40 -1.06 3.88 5.15 -0.99 -4.87 115.26 111.64 3nqs n ASN 384 Ca 0.03 -1.11 0.12 0.00 -0.60 0.00 0.00 54.58 53.02 3nqs n ASN 384 Cb 0.30 -1.33 0.24 0.00 -0.53 0.00 0.00 39.78 38.46 3nqs n ASN 384 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3nqs n ILE 385 N -4.45 0.45 0.05 -1.44 -5.35 -0.39 -4.64 119.36 103.60 3nqs n ILE 385 Ca -0.09 -0.68 -0.11 0.00 -0.27 0.00 0.00 62.75 61.60 3nqs n ILE 385 Cb 0.47 0.87 -0.04 0.00 -1.74 0.00 0.00 39.64 39.20 3nqs n ILE 385 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3nqs h LEU 386 N 4.09 -0.59 -0.59 7.28 5.85 -1.86 -1.84 115.31 127.64 3nqs h LEU 386 Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3nqs h LEU 386 Cb 0.90 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3nqs h LEU 386 CO 0.00 -0.27 0.32 -0.08 -0.34 0.00 0.00 178.44 178.08 3nqs h GLU 387 N -0.31 0.83 -0.22 1.25 4.81 -1.98 -0.50 114.58 118.46 3nqs h GLU 387 Ca 0.06 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3nqs h GLU 387 Cb 0.40 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 3nqs h GLU 387 CO -0.20 0.63 -0.04 1.49 -0.73 0.00 0.00 179.01 180.16 3nqs h GLU 388 N 0.80 0.02 -0.62 1.92 4.57 -1.83 0.36 114.58 119.80 3nqs h GLU 388 Ca 0.21 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3nqs h GLU 388 Cb 0.05 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3nqs h GLU 388 CO -0.03 0.01 0.20 0.28 -1.18 0.00 0.00 179.01 178.29 3nqs h VAL 389 N 0.02 1.23 -0.65 0.32 2.07 -1.14 -2.02 116.25 116.08 3nqs h VAL 389 Ca 0.10 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3nqs h VAL 389 Cb 0.15 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3nqs h VAL 389 CO -0.21 0.31 0.36 1.23 0.02 0.00 0.00 177.57 179.27 3nqs h GLY 390 N 1.02 0.98 1.00 2.17 0.00 -0.12 -2.13 103.07 105.99 3nqs h GLY 390 Ca 0.21 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 3nqs h GLY 390 CO -0.01 0.43 -0.06 3.21 0.00 0.00 0.00 176.54 180.11 3nqs h ARG 391 N 0.89 0.84 0.00 4.80 3.08 -0.66 -2.12 114.38 121.21 3nqs h ARG 391 Ca 0.23 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3nqs h ARG 391 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3nqs h ARG 391 CO -0.04 0.92 0.00 0.00 -1.07 0.00 0.00 179.97 179.78 3nqs h ARG 392 N 0.68 0.00 -0.01 0.04 3.08 -1.20 -0.74 114.38 116.23 3nqs h ARG 392 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3nqs h ARG 392 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3nqs h ARG 392 CO 0.03 0.00 -0.28 -1.33 -1.07 0.00 0.00 179.97 177.33 3nqs n MET 393 N -2.96 0.68 -2.01 0.04 2.81 -0.82 -4.94 117.12 109.91 3nqs n MET 393 Ca 0.00 -0.38 -0.10 0.00 -1.81 0.00 0.00 57.70 55.42 3nqs n MET 393 Cb 0.25 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 3nqs n MET 393 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nqs n GLY 394 N 1.36 0.19 3.91 3.03 0.00 -0.29 -5.03 105.19 108.37 3nqs n GLY 394 Ca 0.11 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 3nqs n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nqs s LEU 395 N -2.66 3.18 -1.38 0.99 1.43 -0.82 -4.97 118.68 114.46 3nqs s LEU 395 Ca 0.00 0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 53.75 3nqs s LEU 395 Cb 0.00 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.68 3nqs s LEU 395 CO 0.00 -1.11 2.00 -0.62 0.23 0.00 0.00 176.35 176.86 3nqs n GLU 396 N -2.65 3.09 0.00 1.70 1.02 -1.26 -4.75 120.64 117.78 3nqs n GLU 396 Ca 0.05 -2.99 0.04 0.00 -0.02 0.00 0.00 57.16 54.23 3nqs n GLU 396 Cb 0.57 -3.27 0.21 0.00 -0.02 0.00 0.00 31.44 28.93 3nqs n GLU 396 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3nqs n THR 397 N 5.14 0.42 0.69 2.62 -2.24 -1.26 -1.73 114.28 117.93 3nqs n THR 397 Ca 0.48 0.10 0.08 0.00 -2.27 0.00 0.00 64.05 62.45 3nqs n THR 397 Cb 0.41 -0.98 0.05 0.00 -2.10 0.00 0.00 70.33 67.70 3nqs n THR 397 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3nqs n HIS 398 N -1.14 0.00 -3.95 4.78 8.25 -1.26 -4.81 115.22 117.09 3nqs n HIS 398 Ca 0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.20 3nqs n HIS 398 Cb 0.04 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.00 3nqs n HIS 398 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3nqs s THR 399 N -1.54 2.05 0.26 1.59 2.01 -0.70 -4.99 115.64 114.32 3nqs s THR 399 Ca 0.17 -2.33 -0.02 0.00 0.31 0.00 0.00 61.69 59.82 3nqs s THR 399 Cb 0.13 -2.51 0.24 0.00 0.01 0.00 0.00 72.50 70.37 3nqs s THR 399 CO 0.27 -0.65 1.72 -0.07 -0.69 0.00 0.00 174.62 175.20 3nqs h LEU 400 N 7.51 0.26 -2.02 4.42 3.38 -1.87 -1.35 115.31 125.64 3nqs h LEU 400 Ca -0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3nqs h LEU 400 Cb 1.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3nqs h LEU 400 CO 0.53 0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.13 3nqs h ALA 401 N 1.59 1.00 0.00 1.53 0.00 -1.94 -1.97 119.26 119.48 3nqs h ALA 401 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3nqs h ALA 401 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3nqs h ALA 401 CO -0.45 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.67 3nqs n SER 402 N -2.57 0.57 -1.38 0.00 3.41 -0.51 -4.89 113.62 108.26 3nqs n SER 402 Ca -0.02 0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 59.08 3nqs n SER 402 Cb 0.05 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 3nqs n SER 402 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3nqs n LEU 403 N -2.12 -1.38 -0.17 1.04 4.77 -0.74 -4.90 117.00 113.50 3nqs n LEU 403 Ca 0.03 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 3nqs n LEU 403 Cb 0.25 -2.13 0.32 0.00 -2.33 0.00 0.00 43.42 39.53 3nqs n LEU 403 CO 0.20 -0.41 1.22 4.11 -1.33 0.00 0.00 177.39 181.19 3nqs h TRP 404 N 0.00 0.80 -0.91 -1.77 5.08 -1.82 -1.46 115.95 115.87 3nqs h TRP 404 Ca -0.32 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.66 3nqs h TRP 404 Cb 1.11 -0.27 -0.04 0.00 -3.00 0.00 0.00 29.16 26.96 3nqs h TRP 404 CO 0.39 0.46 0.53 0.87 -1.28 0.00 0.00 178.44 179.40 3nqs h LYS 405 N 0.82 1.24 -0.73 0.12 1.57 -1.90 0.38 116.57 118.07 3nqs h LYS 405 Ca 0.28 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3nqs h LYS 405 Cb 0.10 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3nqs h LYS 405 CO -0.08 0.88 0.22 -0.44 -0.57 0.00 0.00 179.45 179.46 3nqs h ASP 406 N 1.26 1.07 -0.37 0.86 5.19 -1.67 -1.61 116.42 121.15 3nqs h ASP 406 Ca 0.32 -0.21 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 3nqs h ASP 406 Cb -0.02 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 3nqs h ASP 406 CO -0.06 1.00 -0.29 0.03 -3.12 0.00 0.00 179.24 176.80 3nqs h ARG 407 N 1.10 0.85 0.10 3.56 3.08 -0.94 -3.09 114.38 119.04 3nqs h ARG 407 Ca 0.24 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3nqs h ARG 407 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3nqs h ARG 407 CO -0.01 1.06 -0.05 0.00 -1.07 0.00 0.00 179.97 179.91 3nqs h ALA 408 N 0.77 -0.14 -0.67 0.04 0.00 -0.79 -3.00 119.26 115.47 3nqs h ALA 408 Ca 0.07 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3nqs h ALA 408 Cb 0.87 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3nqs h ALA 408 CO 0.08 -0.43 0.44 -0.24 0.00 0.00 0.00 179.25 179.10 3nqs h VAL 409 N -0.43 0.94 -0.39 0.00 3.04 -1.38 -1.20 116.25 116.82 3nqs h VAL 409 Ca -0.01 -0.19 -0.13 0.00 -1.01 0.00 0.00 66.70 65.36 3nqs h VAL 409 Cb 0.36 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 3nqs h VAL 409 CO 0.02 0.10 -0.26 0.74 -1.01 0.00 0.00 177.57 177.16 3nqs h THR 410 N 0.56 1.27 -0.14 3.17 2.02 -1.50 -1.18 112.91 117.10 3nqs h THR 410 Ca 0.30 -1.40 -0.11 0.00 0.77 0.00 0.00 66.41 65.97 3nqs h THR 410 Cb 0.45 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3nqs h THR 410 CO -0.10 0.47 -0.41 -0.33 0.37 0.00 0.00 175.52 175.52 3nqs h GLU 411 N 0.70 0.33 -0.41 6.66 4.39 -1.10 -0.60 114.58 124.55 3nqs h GLU 411 Ca 0.09 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 3nqs h GLU 411 Cb 0.80 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 3nqs h GLU 411 CO 0.07 0.69 -0.17 0.82 -1.16 0.00 0.00 179.01 179.26 3nqs h ILE 412 N 0.27 1.28 -0.75 3.13 2.04 -1.16 -0.34 117.51 121.97 3nqs h ILE 412 Ca 0.02 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 3nqs h ILE 412 Cb 0.85 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3nqs h ILE 412 CO 0.07 0.43 0.29 0.78 0.00 0.00 0.00 178.15 179.72 3nqs h ASN 413 N 0.65 1.04 -0.68 1.72 2.35 -0.95 -0.85 115.58 118.87 3nqs h ASN 413 Ca 0.09 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 3nqs h ASN 413 Cb 0.72 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 3nqs h ASN 413 CO 0.05 0.93 0.17 0.58 -1.65 0.00 0.00 177.43 177.52 3nqs h VAL 414 N 1.10 1.26 -0.25 2.81 2.07 -0.83 -2.05 116.25 120.36 3nqs h VAL 414 Ca 0.25 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 3nqs h VAL 414 Cb 0.23 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3nqs h VAL 414 CO -0.02 0.36 0.14 0.00 0.02 0.00 0.00 177.57 178.07 3nqs h ALA 415 N 1.08 0.32 0.11 1.67 0.00 -0.50 0.46 119.26 122.41 3nqs h ALA 415 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nqs h ALA 415 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3nqs h ALA 415 CO 0.00 -0.15 -0.09 0.28 0.00 0.00 0.00 179.25 179.29 3nqs h VAL 416 N 0.30 0.80 -0.37 0.00 2.07 -1.02 0.11 116.25 118.14 3nqs h VAL 416 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3nqs h VAL 416 Cb 0.06 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3nqs h VAL 416 CO -0.01 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.69 3nqs h LEU 417 N -0.21 0.47 -0.43 2.57 3.38 -1.26 -2.06 115.31 117.77 3nqs h LEU 417 Ca -0.00 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3nqs h LEU 417 Cb 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3nqs h LEU 417 CO -0.01 0.44 0.24 -0.74 0.09 0.00 0.00 178.44 178.47 3nqs h HIS 418 N 0.46 0.45 -0.32 1.13 2.76 -0.69 -1.41 115.15 117.54 3nqs h HIS 418 Ca 0.13 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3nqs h HIS 418 Cb 0.09 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3nqs h HIS 418 CO -0.02 0.26 0.15 0.77 -1.30 0.00 0.00 177.93 177.78 3nqs h SER 419 N 0.49 0.42 -0.42 3.26 0.02 -0.63 -0.34 113.55 116.35 3nqs h SER 419 Ca 0.17 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3nqs h SER 419 Cb 0.03 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3nqs h SER 419 CO -0.09 0.44 0.16 -0.26 -1.14 0.00 0.00 176.83 175.94 3nqs h PHE 420 N 0.37 0.64 -0.31 3.45 -1.00 -1.26 -1.60 116.94 117.24 3nqs h PHE 420 Ca 0.11 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3nqs h PHE 420 Cb 0.14 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 3nqs h PHE 420 CO -0.01 0.57 0.15 1.96 -1.61 0.00 0.00 178.31 179.37 3nqs h GLN 421 N 0.54 0.44 -0.77 1.51 4.20 -1.15 0.15 115.11 120.03 3nqs h GLN 421 Ca 0.14 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3nqs h GLN 421 Cb 0.20 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3nqs h GLN 421 CO -0.01 0.40 0.40 -0.22 -0.67 0.00 0.00 178.83 178.73 3nqs h LYS 422 N 0.37 1.08 -0.52 1.46 3.64 -0.95 -1.55 116.57 120.09 3nqs h LYS 422 Ca 0.11 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3nqs h LYS 422 Cb 0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3nqs h LYS 422 CO -0.01 0.81 0.00 1.04 -2.27 0.00 0.00 179.45 179.01 3nqs n GLN 423 N -4.34 2.19 -3.83 1.90 6.02 -0.61 -4.92 117.38 113.79 3nqs n GLN 423 Ca 0.08 -1.33 -0.27 0.00 -0.01 0.00 0.00 57.00 55.46 3nqs n GLN 423 Cb 0.12 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.92 3nqs n GLN 423 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3nqs n ASN 424 N 0.43 -4.06 -4.36 1.08 3.02 -0.59 -4.98 115.26 105.81 3nqs n ASN 424 Ca 0.12 -0.76 -0.34 0.00 -0.03 0.00 0.00 54.58 53.57 3nqs n ASN 424 Cb 0.44 -4.05 -0.14 0.00 -0.61 0.00 0.00 39.78 35.42 3nqs n ASN 424 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3nqs s VAL 425 N -3.39 3.25 0.20 2.41 1.01 0.47 -4.29 120.40 120.05 3nqs s VAL 425 Ca 0.49 -0.57 -0.33 0.00 0.00 0.00 0.00 61.98 61.58 3nqs s VAL 425 Cb -0.24 -2.41 -0.14 0.00 0.00 0.00 0.00 36.38 33.59 3nqs s VAL 425 CO 0.82 0.49 1.44 0.41 0.00 0.00 0.00 175.10 178.25 3nqs n THR 426 N 3.99 0.58 -3.51 3.92 -1.04 -0.20 -4.26 114.28 113.77 3nqs n THR 426 Ca -0.18 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.05 61.55 3nqs n THR 426 Cb 0.52 -1.41 -0.04 0.00 -1.82 0.00 0.00 70.33 67.58 3nqs n THR 426 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3nqs s ILE 427 N 0.27 0.00 -0.03 12.58 2.07 -1.26 -4.44 121.20 130.40 3nqs s ILE 427 Ca 0.73 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.99 3nqs s ILE 427 Cb -0.69 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.90 3nqs s ILE 427 CO 0.46 0.00 -0.08 -0.32 -1.91 0.00 0.00 174.94 173.09 3nqs s MET 428 N -2.00 0.94 0.67 3.50 -2.45 -0.81 -5.00 119.30 114.16 3nqs s MET 428 Ca -0.04 -0.27 -0.12 0.00 -1.25 0.00 0.00 55.69 54.00 3nqs s MET 428 Cb -0.00 -0.88 -0.00 0.00 1.25 0.00 0.00 34.83 35.19 3nqs s MET 428 CO 0.01 0.08 1.06 0.16 1.05 0.00 0.00 175.02 177.38 3nqs s ASP 429 N 0.30 5.41 0.45 1.11 -4.77 -1.26 -0.97 116.67 116.94 3nqs s ASP 429 Ca -0.05 1.70 0.19 0.00 -3.30 0.00 0.00 52.55 51.10 3nqs s ASP 429 Cb -0.09 -2.51 1.07 0.00 -1.09 0.00 0.00 42.92 40.30 3nqs s ASP 429 CO 0.01 -1.42 1.96 1.12 0.70 0.00 0.00 175.17 177.54 3nqs h HIS 430 N -0.39 0.00 0.05 2.11 2.07 -1.97 -2.03 115.15 114.99 3nqs h HIS 430 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3nqs h HIS 430 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3nqs h HIS 430 CO 0.60 0.22 -0.03 0.45 -3.07 0.00 0.00 177.93 176.11 3nqs h HIS 431 N 0.00 -0.07 -0.92 6.12 3.86 -1.98 -1.29 115.15 120.87 3nqs h HIS 431 Ca -0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3nqs h HIS 431 Cb 0.45 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.89 3nqs h HIS 431 CO 0.00 0.37 0.57 1.15 0.86 0.00 0.00 177.93 180.88 3nqs h THR 432 N -0.53 1.25 -0.36 2.45 2.02 -1.94 -1.85 112.91 113.96 3nqs h THR 432 Ca -0.01 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3nqs h THR 432 Cb 0.47 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3nqs h THR 432 CO 0.01 0.26 0.18 0.00 0.37 0.00 0.00 175.52 176.34 3nqs h ALA 433 N 1.31 0.46 -0.54 6.16 0.00 -1.34 0.06 119.26 125.37 3nqs h ALA 433 Ca 0.33 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3nqs h ALA 433 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3nqs h ALA 433 CO -0.07 -0.00 0.35 0.77 0.00 0.00 0.00 179.25 180.30 3nqs h SER 434 N 0.44 0.59 -0.59 0.00 0.02 -0.79 0.89 113.55 114.12 3nqs h SER 434 Ca 0.12 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3nqs h SER 434 Cb 0.08 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3nqs h SER 434 CO -0.02 0.43 0.16 -0.33 -1.14 0.00 0.00 176.83 175.93 3nqs h GLU 435 N 0.71 0.97 -0.44 3.45 5.08 -1.15 -1.09 114.58 122.10 3nqs h GLU 435 Ca 0.20 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3nqs h GLU 435 Cb -0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3nqs h GLU 435 CO -0.06 0.85 0.20 1.03 -1.00 0.00 0.00 179.01 180.03 3nqs h SER 436 N 0.93 0.59 -0.32 1.42 0.87 -0.19 -2.19 113.55 114.65 3nqs h SER 436 Ca 0.20 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 3nqs h SER 436 Cb 0.32 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3nqs h SER 436 CO -0.00 0.57 -0.08 0.15 -0.53 0.00 0.00 176.83 176.94 3nqs h PHE 437 N 0.57 0.79 -0.86 2.24 3.57 -0.43 -1.56 116.94 121.26 3nqs h PHE 437 Ca 0.15 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3nqs h PHE 437 Cb 0.15 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3nqs h PHE 437 CO -0.01 0.78 0.46 0.52 -2.23 0.00 0.00 178.31 177.84 3nqs h MET 438 N 0.67 1.20 -0.32 1.11 2.86 -0.94 0.19 114.93 119.69 3nqs h MET 438 Ca 0.12 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3nqs h MET 438 Cb 0.53 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3nqs h MET 438 CO 0.03 0.88 0.08 -0.22 1.06 0.00 0.00 176.91 178.75 3nqs h LYS 439 N 1.20 0.52 -0.58 1.72 1.63 -1.09 -2.13 116.57 117.83 3nqs h LYS 439 Ca 0.30 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 3nqs h LYS 439 Cb 0.04 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3nqs h LYS 439 CO -0.05 0.58 0.31 1.25 -3.45 0.00 0.00 179.45 178.09 3nqs h HIS 440 N 0.37 0.80 -0.77 1.91 2.76 -0.73 -1.34 115.15 118.14 3nqs h HIS 440 Ca 0.10 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 3nqs h HIS 440 Cb 0.29 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.95 3nqs h HIS 440 CO 0.01 0.58 0.48 1.98 -1.30 0.00 0.00 177.93 179.69 3nqs h MET 441 N 0.78 0.90 -0.75 5.26 1.85 -0.45 0.21 114.93 122.73 3nqs h MET 441 Ca 0.20 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.19 3nqs h MET 441 Cb 0.05 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 3nqs h MET 441 CO -0.03 0.60 0.27 1.96 -0.40 0.00 0.00 176.91 179.30 3nqs h GLN 442 N 0.93 1.14 -0.66 0.39 7.50 -0.94 -1.72 115.11 121.75 3nqs h GLN 442 Ca 0.32 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 59.21 3nqs h GLN 442 Cb 0.05 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.38 3nqs h GLN 442 CO -0.13 0.95 0.27 -0.91 -1.50 0.00 0.00 178.83 177.51 3nqs h ASN 443 N 1.10 0.89 -0.56 1.46 2.35 -0.37 -2.87 115.58 117.59 3nqs h ASN 443 Ca 0.25 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3nqs h ASN 443 Cb 0.26 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3nqs h ASN 443 CO -0.01 0.81 0.15 -0.33 -1.65 0.00 0.00 177.43 176.39 3nqs h GLU 444 N 0.92 0.88 -0.10 0.81 4.39 -0.57 0.17 114.58 121.08 3nqs h GLU 444 Ca 0.22 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 3nqs h GLU 444 Cb 0.19 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3nqs h GLU 444 CO -0.02 0.82 -0.17 1.88 -1.16 0.00 0.00 179.01 180.36 3nqs h TYR 445 N 0.79 0.16 0.03 4.33 -1.99 -1.24 0.13 116.97 119.18 3nqs h TYR 445 Ca 0.18 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 3nqs h TYR 445 Cb 0.33 -0.04 0.01 0.00 2.00 0.00 0.00 36.73 39.02 3nqs h TYR 445 CO 0.02 0.32 -0.45 0.00 -0.00 0.00 0.00 178.16 178.05 3nqs h ARG 446 N 0.14 0.26 -0.27 4.88 3.08 -1.27 -0.84 114.38 120.36 3nqs h ARG 446 Ca 0.03 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 3nqs h ARG 446 Cb 0.39 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3nqs h ARG 446 CO 0.02 1.05 -0.09 0.00 -1.07 0.00 0.00 179.97 179.88 3nqs h ALA 447 N 0.22 0.38 0.00 0.04 0.00 -0.76 -3.39 119.26 115.75 3nqs h ALA 447 Ca -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3nqs h ALA 447 Cb 1.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3nqs h ALA 447 CO 0.09 0.21 -0.51 2.89 0.00 0.00 0.00 179.25 181.92 3nqs n ARG 448 N -4.50 0.00 -3.56 0.00 1.85 0.44 -5.04 116.66 105.84 3nqs n ARG 448 Ca -0.03 -1.02 -0.23 0.00 -1.00 0.00 0.00 57.85 55.57 3nqs n ARG 448 Cb 0.33 -0.44 0.08 0.00 -1.05 0.00 0.00 32.46 31.37 3nqs n ARG 448 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3nqs n GLY 449 N 0.03 -0.50 0.00 2.89 0.00 -0.32 -4.30 105.19 102.98 3nqs n GLY 449 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3nqs n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nqs n GLY 450 N -1.93 2.75 3.07 -0.02 0.00 -1.22 -0.80 105.19 107.05 3nqs n GLY 450 Ca -0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 3nqs n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nqs s PRO 452 N 2.74 4.15 -0.08 0.00 0.04 -1.26 -4.65 135.00 135.94 3nqs s PRO 452 Ca 0.12 2.52 -0.05 0.00 0.04 0.00 0.00 61.00 63.63 3nqs s PRO 452 Cb -0.12 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.05 3nqs s PRO 452 CO -0.25 -0.77 0.19 0.00 0.04 0.00 0.00 177.00 176.21 3nqs s ALA 453 N 2.09 -0.45 -0.55 8.56 0.00 -0.47 -4.18 121.76 126.76 3nqs s ALA 453 Ca 0.77 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 3nqs s ALA 453 Cb -0.46 -0.42 0.14 0.00 0.00 0.00 0.00 23.12 22.38 3nqs s ALA 453 CO 0.34 -0.13 0.48 0.34 0.00 0.00 0.00 175.76 176.79 3nqs s ASP 454 N 0.61 6.10 0.23 0.00 -1.08 0.34 -3.39 116.67 119.48 3nqs s ASP 454 Ca -0.04 -1.92 -0.09 0.00 -0.52 0.00 0.00 52.55 49.98 3nqs s ASP 454 Cb -0.06 -2.15 0.36 0.00 -1.46 0.00 0.00 42.92 39.62 3nqs s ASP 454 CO -0.03 -0.78 1.66 -0.25 0.52 0.00 0.00 175.17 176.29 3nqs h TRP 455 N 8.64 0.02 -0.53 -5.34 7.01 -1.92 -0.34 115.95 123.49 3nqs h TRP 455 Ca -0.23 0.05 0.14 0.00 2.11 0.00 0.00 58.89 60.95 3nqs h TRP 455 Cb 1.08 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 28.21 3nqs h TRP 455 CO 0.73 -0.17 0.37 0.82 -2.79 0.00 0.00 178.44 177.41 3nqs h ILE 456 N 0.15 0.78 0.00 2.65 2.04 -1.93 -1.91 117.51 119.28 3nqs h ILE 456 Ca 0.36 -0.03 -0.34 0.00 1.00 0.00 0.00 64.86 65.85 3nqs h ILE 456 Cb 0.61 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3nqs h ILE 456 CO -0.56 0.02 -2.13 0.79 0.00 0.00 0.00 178.15 176.27 3nqs n TRP 457 N -4.41 0.40 0.13 1.37 7.02 -0.49 -4.44 117.44 117.01 3nqs n TRP 457 Ca 0.09 0.14 -0.02 0.00 -1.02 0.00 0.00 57.50 56.70 3nqs n TRP 457 Cb 0.54 -1.07 0.12 0.00 -2.42 0.00 0.00 31.31 28.48 3nqs n TRP 457 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3nqs h LEU 458 N 0.00 0.00 -9.21 -0.99 3.38 -0.70 -3.43 115.31 104.37 3nqs h LEU 458 Ca -0.45 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.96 3nqs h LEU 458 Cb 2.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.86 3nqs h LEU 458 CO 0.05 0.67 0.75 -0.69 0.09 0.00 0.00 178.44 179.30 3nqs s VAL 459 N -3.41 4.47 0.62 1.22 1.01 -0.76 -4.96 120.40 118.60 3nqs s VAL 459 Ca -0.01 1.77 -0.18 0.00 0.00 0.00 0.00 61.98 63.57 3nqs s VAL 459 Cb 0.12 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3nqs s VAL 459 CO 0.77 -0.07 0.93 -2.65 0.00 0.00 0.00 175.10 174.07 3nqs n PRO 460 N 5.77 0.80 0.00 2.72 -0.02 -1.26 -4.88 135.00 138.13 3nqs n PRO 460 Ca 0.11 0.32 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 3nqs n PRO 460 Cb 0.46 -2.15 0.11 0.00 -0.02 0.00 0.00 33.50 31.91 3nqs n PRO 460 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3nqs n PRO 461 N -1.09 0.04 -4.01 0.52 -0.04 -1.26 -4.39 135.00 124.76 3nqs n PRO 461 Ca 0.14 0.33 -0.08 0.00 -0.04 0.00 0.00 63.50 63.84 3nqs n PRO 461 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 3nqs n PRO 461 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3nqs s VAL 462 N -2.78 0.15 -1.52 0.52 -7.23 -1.26 -4.92 120.40 103.36 3nqs s VAL 462 Ca 0.03 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 3nqs s VAL 462 Cb 0.03 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 36.16 3nqs s VAL 462 CO 0.08 -0.69 0.64 -1.20 -0.31 0.00 0.00 175.10 173.62 3nqs n SER 463 N 0.92 -5.92 0.00 4.85 7.64 -1.26 -4.94 113.62 114.92 3nqs n SER 463 Ca -0.20 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.37 3nqs n SER 463 Cb 0.58 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 3nqs n SER 463 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3nqs n GLY 464 N -1.53 -2.83 0.01 0.23 0.00 -1.26 -1.30 105.19 98.51 3nqs n GLY 464 Ca -0.10 0.55 0.07 0.00 0.00 0.00 0.00 46.02 46.54 3nqs n GLY 464 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nqs n SER 465 N -2.54 0.05 0.19 1.61 3.41 -1.26 -1.40 113.62 113.68 3nqs n SER 465 Ca 0.00 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3nqs n SER 465 Cb 0.00 -0.53 0.35 0.00 -0.26 0.00 0.00 64.21 63.78 3nqs n SER 465 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3nqs h ILE 466 N 0.00 0.00 -3.04 -1.33 1.08 -1.58 -3.44 117.51 109.20 3nqs h ILE 466 Ca 0.00 -0.69 -0.60 0.00 -0.39 0.00 0.00 64.86 63.18 3nqs h ILE 466 Cb 0.23 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 3nqs h ILE 466 CO 0.00 0.00 -0.37 0.42 -0.69 0.00 0.00 178.15 177.51 3nqs s THR 467 N -3.26 5.25 0.38 -0.27 -4.23 -0.49 -5.02 115.64 107.99 3nqs s THR 467 Ca 0.07 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.74 3nqs s THR 467 Cb 0.08 -3.61 0.17 0.00 1.34 0.00 0.00 72.50 70.48 3nqs s THR 467 CO 0.60 0.16 1.91 1.55 -0.54 0.00 0.00 174.62 178.30 3nqs h PRO 468 N 3.22 0.00 0.00 3.99 0.13 -1.85 -3.13 132.00 134.36 3nqs h PRO 468 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3nqs h PRO 468 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3nqs h PRO 468 CO 0.71 0.27 -0.13 -0.39 -0.23 0.00 0.00 178.00 178.23 3nqs h VAL 469 N 0.00 1.07 -0.91 1.56 -1.51 -1.89 -2.40 116.25 112.17 3nqs h VAL 469 Ca -0.00 -0.46 0.06 0.00 -1.23 0.00 0.00 66.70 65.06 3nqs h VAL 469 Cb 0.53 1.25 -0.06 0.00 -2.13 0.00 0.00 31.29 30.89 3nqs h VAL 469 CO 0.04 0.13 0.60 0.15 -1.23 0.00 0.00 177.57 177.25 3nqs h PHE 470 N 0.00 1.07 -0.03 5.19 3.04 -1.75 -1.98 116.94 122.48 3nqs h PHE 470 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3nqs h PHE 470 Cb 0.24 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.40 3nqs h PHE 470 CO 0.00 0.57 0.00 0.72 -2.02 0.00 0.00 178.31 177.58 3nqs n HIS 471 N -4.48 0.03 -3.58 0.41 -0.00 -0.90 -4.83 115.22 101.86 3nqs n HIS 471 Ca 0.13 -0.01 -0.37 0.00 -0.00 0.00 0.00 57.72 57.47 3nqs n HIS 471 Cb 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.07 3nqs n HIS 471 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3nqs s GLN 472 N -1.97 4.05 0.29 -0.41 2.00 -0.75 -1.09 119.66 121.78 3nqs s GLN 472 Ca 0.40 -0.19 -0.29 0.00 -2.00 0.00 0.00 55.36 53.27 3nqs s GLN 472 Cb 0.20 -3.58 -0.10 0.00 0.80 0.00 0.00 33.01 30.34 3nqs s GLN 472 CO 0.33 -0.05 1.10 -1.21 -0.50 0.00 0.00 175.29 174.96 3nqs s GLU 473 N 1.37 4.61 0.07 1.67 2.02 -0.83 -5.01 118.70 122.60 3nqs s GLU 473 Ca 0.10 1.79 0.02 0.00 0.02 0.00 0.00 54.97 56.90 3nqs s GLU 473 Cb -0.15 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3nqs s GLU 473 CO 0.07 0.19 -0.08 -1.64 0.02 0.00 0.00 175.26 173.83 3nqs s MET 474 N -1.50 0.67 -0.18 1.61 -1.94 -1.26 -4.70 119.30 112.00 3nqs s MET 474 Ca 0.45 -1.01 -0.01 0.00 -1.71 0.00 0.00 55.69 53.41 3nqs s MET 474 Cb -0.32 -0.28 -0.00 0.00 2.01 0.00 0.00 34.83 36.24 3nqs s MET 474 CO 0.40 0.03 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.82 3nqs s LEU 475 N -2.20 2.63 -0.34 -0.03 1.02 -1.26 -4.93 118.68 113.57 3nqs s LEU 475 Ca -0.01 -0.45 -0.12 0.00 0.02 0.00 0.00 54.13 53.58 3nqs s LEU 475 Cb -0.04 -1.63 -0.01 0.00 0.02 0.00 0.00 46.19 44.53 3nqs s LEU 475 CO -0.02 0.04 0.22 0.21 0.02 0.00 0.00 176.35 176.82 3nqs s ASN 476 N 1.11 5.92 0.08 2.29 2.47 -1.22 -1.37 114.94 124.23 3nqs s ASN 476 Ca 0.01 -0.50 -0.08 0.00 0.42 0.00 0.00 52.86 52.70 3nqs s ASN 476 Cb -0.14 -2.10 -0.00 0.00 -1.45 0.00 0.00 41.25 37.55 3nqs s ASN 476 CO -0.03 -0.24 0.18 -0.72 -3.72 0.00 0.00 177.10 172.57 3nqs s TYR 477 N 1.69 0.15 -0.33 0.43 1.13 -1.26 -4.96 117.35 114.20 3nqs s TYR 477 Ca 0.05 -0.56 -0.11 0.00 -1.41 0.00 0.00 57.07 55.04 3nqs s TYR 477 Cb -0.17 -0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 3nqs s TYR 477 CO 0.09 -0.53 0.20 0.08 -2.51 0.00 0.00 175.55 172.89 3nqs s VAL 478 N -3.72 4.97 0.00 -3.49 1.01 -1.26 -4.82 120.40 113.10 3nqs s VAL 478 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3nqs s VAL 478 Cb 0.04 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3nqs s VAL 478 CO -0.10 0.02 0.00 0.18 0.00 0.00 0.00 175.10 175.20 3nqs n LEU 479 N 5.05 0.00 -3.69 3.92 4.77 -1.26 -2.00 117.00 123.79 3nqs n LEU 479 Ca -0.13 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 3nqs n LEU 479 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3nqs n LEU 479 CO 0.35 -0.14 0.15 -0.55 -1.33 0.00 0.00 177.39 175.87 3nqs s SER 480 N -1.00 -0.60 0.92 -1.43 0.15 -1.26 -4.44 113.70 106.05 3nqs s SER 480 Ca 0.00 1.05 -0.11 0.00 0.70 0.00 0.00 55.95 57.58 3nqs s SER 480 Cb 0.00 0.97 0.09 0.00 -1.71 0.00 0.00 66.02 65.38 3nqs s SER 480 CO 0.00 -0.19 0.83 -2.65 1.20 0.00 0.00 173.24 172.43 3nqs n PRO 481 N 3.75 -0.33 -3.55 5.44 -0.02 -1.26 -5.01 135.00 134.03 3nqs n PRO 481 Ca -0.19 -0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.08 3nqs n PRO 481 Cb 0.56 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3nqs n PRO 481 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3nqs s PHE 482 N -2.48 -0.64 -0.40 6.00 5.36 -0.63 -4.10 117.98 121.10 3nqs s PHE 482 Ca 0.63 1.14 -0.15 0.00 -0.96 0.00 0.00 56.93 57.59 3nqs s PHE 482 Cb -0.23 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 42.84 3nqs s PHE 482 CO 0.61 -0.57 0.29 0.71 -1.46 0.00 0.00 175.22 174.80 3nqs s TYR 483 N -1.06 3.24 0.28 10.12 2.02 -1.26 -0.83 117.35 129.87 3nqs s TYR 483 Ca -0.10 -0.50 0.06 0.00 -0.37 0.00 0.00 57.07 56.16 3nqs s TYR 483 Cb -0.01 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.95 3nqs s TYR 483 CO 0.09 -0.54 0.35 0.71 -1.57 0.00 0.00 175.55 174.58 3nqs s TYR 484 N 1.70 3.21 0.77 2.71 1.51 0.39 -4.89 117.35 122.75 3nqs s TYR 484 Ca 0.05 -0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 55.88 3nqs s TYR 484 Cb -0.19 -1.69 0.09 0.00 -0.11 0.00 0.00 41.96 40.06 3nqs s TYR 484 CO 0.10 0.29 1.11 0.71 -1.11 0.00 0.00 175.55 176.65 3nqs s TYR 485 N -2.11 2.74 0.18 2.71 2.02 0.49 -0.91 117.35 122.47 3nqs s TYR 485 Ca 0.38 0.52 0.01 0.00 -0.37 0.00 0.00 57.07 57.61 3nqs s TYR 485 Cb -0.08 -3.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.03 3nqs s TYR 485 CO 0.28 -1.69 0.03 -0.65 -1.57 0.00 0.00 175.55 171.95 3nqs s GLN 486 N -5.44 1.13 0.25 -0.62 -0.21 -1.26 -1.38 119.66 112.13 3nqs s GLN 486 Ca 0.63 -1.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 3nqs s GLN 486 Cb -0.10 -0.18 -0.09 0.00 1.00 0.00 0.00 33.01 33.64 3nqs s GLN 486 CO 0.47 -0.18 1.09 0.42 -2.12 0.00 0.00 175.29 174.97 3nqs s ILE 487 N -3.74 3.65 -0.16 1.08 -1.09 -1.26 -4.92 121.20 114.76 3nqs s ILE 487 Ca 0.26 1.58 -0.37 0.00 -2.23 0.00 0.00 60.65 59.89 3nqs s ILE 487 Cb 0.07 -4.01 -0.14 0.00 -1.58 0.00 0.00 42.46 36.80 3nqs s ILE 487 CO 0.05 0.35 1.78 -0.62 -1.23 0.00 0.00 174.94 175.26 3nqs n GLU 488 N 1.58 1.64 -0.31 2.79 4.71 -1.26 -4.84 120.64 124.94 3nqs n GLU 488 Ca -0.00 0.60 0.22 0.00 -0.01 0.00 0.00 57.16 57.97 3nqs n GLU 488 Cb 0.45 -2.35 0.50 0.00 -1.01 0.00 0.00 31.44 29.03 3nqs n GLU 488 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3nqs h PRO 489 N 7.87 0.40 0.00 3.49 0.13 -1.92 -0.69 132.00 141.28 3nqs h PRO 489 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3nqs h PRO 489 Cb 1.30 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3nqs h PRO 489 CO 0.94 0.27 0.00 0.11 -0.23 0.00 0.00 178.00 179.09 3nqs h TRP 490 N 0.41 0.00 0.00 1.56 0.09 -1.93 -0.16 115.95 115.92 3nqs h TRP 490 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.56 3nqs h TRP 490 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.67 3nqs h TRP 490 CO -0.00 0.00 -0.56 0.87 0.09 0.00 0.00 178.44 178.84 3nqs h LYS 491 N 0.00 0.00 0.00 0.12 1.57 -1.48 -3.39 116.57 113.39 3nqs h LYS 491 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3nqs h LYS 491 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3nqs h LYS 491 CO 0.00 0.00 -1.09 0.25 -0.57 0.00 0.00 179.45 178.04 3nqs n THR 492 N -2.79 0.06 -1.71 -0.16 -2.24 -0.98 -5.04 114.28 101.43 3nqs n THR 492 Ca 0.02 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 3nqs n THR 492 Cb 0.53 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3nqs n THR 492 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3nqs n HIS 493 N -1.87 2.68 -3.48 4.78 -0.00 -0.11 -4.97 115.22 112.25 3nqs n HIS 493 Ca -0.02 0.02 -0.43 0.00 -0.00 0.00 0.00 57.72 57.30 3nqs n HIS 493 Cb 0.36 -2.68 -0.09 0.00 -0.00 0.00 0.00 29.99 27.58 3nqs n HIS 493 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3nqs s ILE 494 N 1.51 5.00 0.38 3.57 1.01 -1.26 -4.97 121.20 126.43 3nqs s ILE 494 Ca 0.77 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 3nqs s ILE 494 Cb -0.52 -3.89 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 3nqs s ILE 494 CO 0.34 -0.42 1.42 0.26 0.00 0.00 0.00 174.94 176.53 3nqs s TRP 495 N 1.61 2.71 -0.07 3.97 0.52 -1.26 -4.96 118.94 121.46 3nqs s TRP 495 Ca 0.04 1.27 -0.03 0.00 0.02 0.00 0.00 56.10 57.40 3nqs s TRP 495 Cb -0.21 -3.89 -0.02 0.00 -1.15 0.00 0.00 33.47 28.20 3nqs s TRP 495 CO 0.07 -2.61 0.14 -0.56 0.02 0.00 0.00 176.95 174.01 3nqs h GLN 496 N 2.98 -0.10 0.00 4.98 -0.00 -1.97 -3.52 115.11 117.49 3nqs h GLN 496 Ca -0.50 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 3nqs h GLN 496 Cb 1.24 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 3nqs h GLN 496 CO 0.64 -0.07 0.00 0.09 -0.00 0.00 0.00 178.83 179.49