#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqn h PHE 89 N 0.00 0.34 -0.43 1.57 3.57 -2.07 -3.30 116.94 116.62 3gqn h PHE 89 Ca 0.00 -0.17 0.05 0.00 3.53 0.00 0.00 57.97 61.37 3gqn h PHE 89 Cb 0.00 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3gqn h PHE 89 CO 0.00 0.96 0.29 0.00 -2.23 0.00 0.00 178.31 177.33 3gqn h ALA 90 N 0.30 1.90 0.00 2.41 0.00 -2.05 -2.40 119.26 119.42 3gqn h ALA 90 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3gqn h ALA 90 Cb 1.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gqn h ALA 90 CO 0.06 0.03 -0.18 -0.44 0.00 0.00 0.00 179.25 178.72 3gqn h ASP 91 N 0.40 0.00 -0.01 0.00 5.19 -2.00 0.83 116.42 120.82 3gqn h ASP 91 Ca 0.18 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.38 3gqn h ASP 91 Cb 0.22 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.75 3gqn h ASP 91 CO -0.04 0.18 -0.82 -0.07 -3.12 0.00 0.00 179.24 175.37 3gqn h LEU 92 N 0.00 0.74 -0.39 1.55 3.38 -1.55 -2.43 115.31 116.61 3gqn h LEU 92 Ca -0.00 -0.74 -0.00 0.00 0.09 0.00 0.00 57.88 57.23 3gqn h LEU 92 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3gqn h LEU 92 CO 0.02 1.38 0.23 0.58 0.09 0.00 0.00 178.44 180.74 3gqn h VAL 93 N 0.17 1.13 -0.25 1.22 2.07 -1.37 -2.00 116.25 117.23 3gqn h VAL 93 Ca -0.10 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3gqn h VAL 93 Cb 1.49 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3gqn h VAL 93 CO 0.16 0.13 0.05 0.40 0.02 0.00 0.00 177.57 178.33 3gqn h ILE 94 N 0.51 0.89 0.00 4.57 2.04 -0.92 -2.51 117.51 122.08 3gqn h ILE 94 Ca 0.14 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3gqn h ILE 94 Cb 0.01 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3gqn h ILE 94 CO -0.03 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3gqn n GLN 95 N -5.09 0.14 -0.00 2.37 6.02 -0.91 -0.44 117.38 119.47 3gqn n GLN 95 Ca -0.01 0.13 -0.18 0.00 -0.01 0.00 0.00 57.00 56.92 3gqn n GLN 95 Cb 0.11 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.73 3gqn n GLN 95 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3gqn h VAL 96 N 0.00 1.56 -0.62 5.09 2.07 -0.97 -3.30 116.25 120.08 3gqn h VAL 96 Ca 0.00 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.04 3gqn h VAL 96 Cb 0.27 3.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 3gqn h VAL 96 CO 0.00 0.66 0.25 0.40 0.02 0.00 0.00 177.57 178.90 3gqn h ILE 97 N -0.62 1.23 0.00 4.57 2.04 -0.95 -2.09 117.51 121.69 3gqn h ILE 97 Ca -0.11 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3gqn h ILE 97 Cb 1.41 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3gqn h ILE 97 CO 0.08 0.28 0.00 0.44 0.00 0.00 0.00 178.15 178.95 3gqn h ASP 98 N 0.86 0.00 0.00 1.72 3.32 -0.91 -0.82 116.42 120.60 3gqn h ASP 98 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3gqn h ASP 98 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3gqn h ASP 98 CO -0.02 0.00 -1.42 -0.62 -1.72 0.00 0.00 179.24 175.46 3gqn n GLU 99 N -2.51 0.61 -0.09 3.56 1.02 -1.00 -4.28 120.64 117.96 3gqn n GLU 99 Ca -0.01 -0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 56.94 3gqn n GLU 99 Cb 0.11 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.12 3gqn n GLU 99 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gqn h LEU 100 N 0.00 0.86 -2.86 -4.62 3.38 -0.47 -3.48 115.31 108.12 3gqn h LEU 100 Ca 0.00 -0.37 -0.31 0.00 0.09 0.00 0.00 57.88 57.29 3gqn h LEU 100 Cb 0.69 -0.24 0.11 0.00 0.09 0.00 0.00 40.66 41.31 3gqn h LEU 100 CO 0.00 1.12 -0.79 0.29 0.09 0.00 0.00 178.44 179.14 3gqn n LYS 101 N -4.07 -1.62 -0.08 1.13 5.02 -1.04 -4.91 118.16 112.59 3gqn n LYS 101 Ca -0.01 0.76 -0.02 0.00 -2.02 0.00 0.00 58.31 57.02 3gqn n LYS 101 Cb 0.50 -4.86 0.22 0.00 -0.02 0.00 0.00 35.03 30.87 3gqn n LYS 101 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3gqn h GLN 102 N -1.20 0.72 -0.10 1.97 4.20 -1.94 -2.80 115.11 115.95 3gqn h GLN 102 Ca -0.55 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.00 3gqn h GLN 102 Cb 1.30 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3gqn h GLN 102 CO 0.44 0.69 0.00 1.19 -0.67 0.00 0.00 178.83 180.47 3gqn n PHE 103 N -4.27 0.14 -0.20 2.96 3.01 -1.26 -5.10 117.46 112.74 3gqn n PHE 103 Ca 0.03 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.13 3gqn n PHE 103 Cb 0.25 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3gqn n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gqn n GLY 104 N 0.01 -0.95 3.69 1.37 0.00 -1.06 -4.62 105.19 103.63 3gqn n GLY 104 Ca 0.04 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3gqn n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqn s VAL 105 N 0.00 4.60 0.65 1.61 -7.23 -1.06 -4.42 120.40 114.55 3gqn s VAL 105 Ca 0.00 1.88 -0.13 0.00 -1.81 0.00 0.00 61.98 61.92 3gqn s VAL 105 Cb 0.00 -4.21 -0.01 0.00 0.56 0.00 0.00 36.38 32.72 3gqn s VAL 105 CO 0.00 -0.00 1.06 -0.55 -0.31 0.00 0.00 175.10 175.30 3gqn s SER 106 N 1.23 5.50 0.34 4.85 0.15 -1.26 -1.51 113.70 122.99 3gqn s SER 106 Ca 0.51 1.73 0.18 0.00 0.70 0.00 0.00 55.95 59.07 3gqn s SER 106 Cb -0.20 -2.52 0.17 0.00 -1.71 0.00 0.00 66.02 61.76 3gqn s SER 106 CO 0.19 -1.36 1.49 1.62 1.20 0.00 0.00 173.24 176.38 3gqn h VAL 107 N -0.20 0.49 0.00 4.45 3.04 -1.70 -3.18 116.25 119.15 3gqn h VAL 107 Ca -0.45 -1.70 -0.06 0.00 -1.01 0.00 0.00 66.70 63.48 3gqn h VAL 107 Cb 1.22 2.23 -0.01 0.00 -2.01 0.00 0.00 31.29 32.72 3gqn h VAL 107 CO 0.57 0.28 -0.28 0.11 -1.01 0.00 0.00 177.57 177.24 3gqn h LYS 108 N 0.00 0.00 -0.63 4.17 1.57 -1.84 -2.72 116.57 117.11 3gqn h LYS 108 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 3gqn h LYS 108 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3gqn h LYS 108 CO 0.04 0.28 0.42 1.15 -0.57 0.00 0.00 179.45 180.76 3gqn h THR 109 N 0.00 0.99 -0.55 -0.16 2.02 -1.88 -1.95 112.91 111.38 3gqn h THR 109 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3gqn h THR 109 Cb 0.77 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3gqn h THR 109 CO 0.04 0.11 0.00 -1.22 0.37 0.00 0.00 175.52 174.82 3gqn n TYR 110 N -4.48 0.99 0.00 3.16 4.02 -1.04 -4.90 117.16 114.91 3gqn n TYR 110 Ca 0.09 -0.43 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3gqn n TYR 110 Cb 0.25 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3gqn n TYR 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gqn n GLY 111 N 1.19 1.95 3.77 2.72 0.00 -0.73 -4.29 105.19 109.79 3gqn n GLY 111 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3gqn n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqn s ALA 112 N -2.00 3.48 -0.18 4.61 0.00 -1.15 -4.81 121.76 121.71 3gqn s ALA 112 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 3gqn s ALA 112 Cb 0.00 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 3gqn s ALA 112 CO 0.00 0.18 -0.09 1.63 0.00 0.00 0.00 175.76 177.48 3gqn n LYS 113 N 2.63 0.51 -3.08 0.00 4.76 -1.26 -4.49 118.16 117.23 3gqn n LYS 113 Ca -0.07 0.48 -0.13 0.00 -2.87 0.00 0.00 58.31 55.72 3gqn n LYS 113 Cb 0.51 -1.66 0.06 0.00 -1.84 0.00 0.00 35.03 32.09 3gqn n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gqn n GLY 114 N 1.50 -0.08 0.57 0.72 0.00 -1.26 -4.94 105.19 101.70 3gqn n GLY 114 Ca -0.21 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.81 3gqn n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gqn n ASP 115 N -2.05 2.35 0.00 1.61 5.68 -1.24 -2.62 116.55 120.27 3gqn n ASP 115 Ca -0.11 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 3gqn n ASP 115 Cb 0.58 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3gqn n ASP 115 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gqn n GLY 116 N 0.70 0.69 1.03 6.12 0.00 -0.84 -4.80 105.19 108.09 3gqn n GLY 116 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gqn n GLY 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gqn n VAL 117 N -2.57 0.00 -2.34 1.61 0.31 -1.26 -4.94 118.33 109.14 3gqn n VAL 117 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3gqn n VAL 117 Cb 0.00 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 3gqn n VAL 117 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gqn s THR 118 N -1.75 3.54 -0.46 2.52 2.01 -1.26 -4.95 115.64 115.29 3gqn s THR 118 Ca 0.00 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.98 3gqn s THR 118 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.71 3gqn s THR 118 CO 0.00 0.19 1.42 -0.62 -0.69 0.00 0.00 174.62 174.92 3gqn s ASP 119 N 0.29 6.26 -0.08 3.53 2.15 -1.26 -3.89 116.67 123.66 3gqn s ASP 119 Ca 0.54 0.67 0.18 0.00 0.43 0.00 0.00 52.55 54.38 3gqn s ASP 119 Cb -0.33 -2.54 0.64 0.00 -0.30 0.00 0.00 42.92 40.39 3gqn s ASP 119 CO 0.36 -1.53 1.55 0.47 -0.17 0.00 0.00 175.17 175.85 3gqn n ASP 120 N 9.11 4.29 -0.21 -0.34 8.00 -0.86 -4.68 116.55 131.86 3gqn n ASP 120 Ca 0.15 -2.32 0.01 0.00 0.71 0.00 0.00 54.79 53.34 3gqn n ASP 120 Cb 0.48 -0.51 0.12 0.00 -0.02 0.00 0.00 41.12 41.19 3gqn n ASP 120 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3gqn h ILE 121 N 3.73 0.75 -0.11 0.53 6.09 -1.91 -2.24 117.51 124.35 3gqn h ILE 121 Ca 0.00 -0.14 -0.08 0.00 -1.37 0.00 0.00 64.86 63.27 3gqn h ILE 121 Cb 1.25 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 3gqn h ILE 121 CO 0.15 0.07 -0.31 0.03 -3.07 0.00 0.00 178.15 175.02 3gqn h ARG 122 N 0.41 0.21 -0.74 2.19 2.47 -1.96 -2.37 114.38 114.58 3gqn h ARG 122 Ca 0.32 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.91 3gqn h ARG 122 Cb 0.42 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 3gqn h ARG 122 CO -0.32 0.50 0.23 0.00 0.56 0.00 0.00 179.97 180.94 3gqn h ALA 123 N 1.50 1.02 0.39 0.04 0.00 -1.59 -2.37 119.26 118.25 3gqn h ALA 123 Ca 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3gqn h ALA 123 Cb 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gqn h ALA 123 CO 0.05 0.66 -0.19 0.74 0.00 0.00 0.00 179.25 180.51 3gqn h PHE 124 N 1.10 -0.48 -0.98 0.00 -1.00 -1.27 -2.37 116.94 111.94 3gqn h PHE 124 Ca 0.24 -0.01 0.15 0.00 2.81 0.00 0.00 57.97 61.16 3gqn h PHE 124 Cb 0.30 0.16 -0.09 0.00 3.61 0.00 0.00 35.95 39.93 3gqn h PHE 124 CO 0.02 -0.17 0.62 0.93 -1.61 0.00 0.00 178.31 178.10 3gqn h GLU 125 N -0.80 0.83 -0.22 1.51 5.08 -1.44 -1.13 114.58 118.40 3gqn h GLU 125 Ca -0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3gqn h GLU 125 Cb 0.53 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3gqn h GLU 125 CO 0.09 0.55 -0.04 0.87 -1.00 0.00 0.00 179.01 179.47 3gqn h LYS 126 N 0.85 0.42 -0.76 2.33 1.57 -1.46 -2.77 116.57 116.76 3gqn h LYS 126 Ca 0.51 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 3gqn h LYS 126 Cb 0.68 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3gqn h LYS 126 CO -0.29 0.65 0.32 0.00 -0.57 0.00 0.00 179.45 179.56 3gqn h ALA 127 N 0.76 1.13 -0.21 3.86 0.00 -0.73 -2.69 119.26 121.37 3gqn h ALA 127 Ca 0.06 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3gqn h ALA 127 Cb 0.48 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gqn h ALA 127 CO 0.02 0.63 -0.62 0.82 0.00 0.00 0.00 179.25 180.10 3gqn h ILE 128 N 1.09 1.29 0.00 0.00 2.04 -1.28 -3.15 117.51 117.49 3gqn h ILE 128 Ca 0.26 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.30 3gqn h ILE 128 Cb 0.18 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3gqn h ILE 128 CO -0.02 0.58 0.00 -1.84 0.00 0.00 0.00 178.15 176.87 3gqn n GLU 129 N -4.03 0.08 0.27 2.37 0.28 -1.05 -3.14 120.64 115.43 3gqn n GLU 129 Ca -0.06 0.20 0.18 0.00 -0.16 0.00 0.00 57.16 57.32 3gqn n GLU 129 Cb 0.66 -1.62 0.78 0.00 1.43 0.00 0.00 31.44 32.69 3gqn n GLU 129 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3gqn h SER 130 N 0.00 0.00 0.00 -1.84 4.64 -1.44 -3.46 113.55 111.45 3gqn h SER 130 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gqn h SER 130 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3gqn h SER 130 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3gqn n GLY 131 N -0.24 0.69 3.79 -0.77 0.00 -1.19 -5.06 105.19 102.41 3gqn n GLY 131 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3gqn n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqn s PHE 132 N -2.21 3.20 -0.06 1.61 0.40 -1.26 -5.07 117.98 114.59 3gqn s PHE 132 Ca 0.00 0.06 -0.29 0.00 -0.60 0.00 0.00 56.93 56.09 3gqn s PHE 132 Cb 0.00 -1.60 -0.07 0.00 0.51 0.00 0.00 43.02 41.86 3gqn s PHE 132 CO 0.00 0.52 2.02 -2.14 0.70 0.00 0.00 175.22 176.32 3gqn s PRO 133 N -2.63 3.82 -0.01 0.24 0.02 -1.26 -4.74 135.00 130.44 3gqn s PRO 133 Ca 0.30 2.38 -0.26 0.00 0.02 0.00 0.00 61.00 63.44 3gqn s PRO 133 Cb -0.12 -4.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.15 3gqn s PRO 133 CO 0.23 -1.32 0.80 0.08 -0.33 0.00 0.00 177.00 176.46 3gqn s VAL 134 N 5.65 4.88 -0.01 3.83 1.01 -0.04 -2.55 120.40 133.17 3gqn s VAL 134 Ca 0.91 1.68 0.02 0.00 0.00 0.00 0.00 61.98 64.59 3gqn s VAL 134 Cb -0.39 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 3gqn s VAL 134 CO 0.39 0.27 -0.04 -0.47 0.00 0.00 0.00 175.10 175.24 3gqn s TYR 135 N 0.53 2.96 -0.25 5.22 5.04 -0.57 -2.32 117.35 127.96 3gqn s TYR 135 Ca 0.42 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 3gqn s TYR 135 Cb -0.20 -1.64 0.05 0.00 0.35 0.00 0.00 41.96 40.52 3gqn s TYR 135 CO 0.23 0.40 -0.11 0.08 -1.34 0.00 0.00 175.55 174.80 3gqn s VAL 136 N -1.00 2.24 0.34 3.14 1.01 -0.89 -1.71 120.40 123.52 3gqn s VAL 136 Ca 0.17 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 3gqn s VAL 136 Cb -0.11 -2.25 0.08 0.00 0.00 0.00 0.00 36.38 34.09 3gqn s VAL 136 CO 0.08 0.07 0.46 -0.81 0.00 0.00 0.00 175.10 174.89 3gqn n PRO 137 N 4.48 -0.29 -1.59 2.72 -0.04 -1.26 -1.35 135.00 137.66 3gqn n PRO 137 Ca -0.15 -0.80 -0.39 0.00 -0.04 0.00 0.00 63.50 62.11 3gqn n PRO 137 Cb 0.44 -0.44 0.03 0.00 -0.04 0.00 0.00 33.50 33.48 3gqn n PRO 137 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3gqn n TYR 138 N -2.51 0.77 0.00 0.54 9.36 -1.26 -4.41 117.16 119.65 3gqn n TYR 138 Ca 0.06 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.77 3gqn n TYR 138 Cb 0.21 -2.15 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 3gqn n TYR 138 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gqn n GLY 139 N 1.31 3.83 3.35 2.98 0.00 -0.69 -4.91 105.19 111.06 3gqn n GLY 139 Ca 0.11 -1.68 -0.46 0.00 0.00 0.00 0.00 46.02 43.99 3gqn n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gqn s THR 140 N -2.20 5.43 -0.86 2.61 2.01 -1.08 -1.26 115.64 120.30 3gqn s THR 140 Ca 0.00 -2.24 -0.25 0.00 0.31 0.00 0.00 61.69 59.51 3gqn s THR 140 Cb 0.00 -4.51 0.04 0.00 0.01 0.00 0.00 72.50 68.04 3gqn s THR 140 CO 0.00 -1.10 1.34 -0.36 -0.69 0.00 0.00 174.62 173.81 3gqn s PHE 141 N 0.71 2.42 0.70 4.92 0.40 0.64 -1.99 117.98 125.79 3gqn s PHE 141 Ca 0.19 -0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 55.94 3gqn s PHE 141 Cb -0.11 -4.64 0.02 0.00 0.51 0.00 0.00 43.02 38.80 3gqn s PHE 141 CO -0.08 -1.99 1.11 -1.64 0.70 0.00 0.00 175.22 173.32 3gqn s MET 142 N 5.29 2.60 -0.09 0.44 -1.94 -1.25 -1.99 119.30 122.35 3gqn s MET 142 Ca 0.39 1.34 -0.12 0.00 -1.71 0.00 0.00 55.69 55.59 3gqn s MET 142 Cb -0.05 -1.93 0.03 0.00 2.01 0.00 0.00 34.83 34.89 3gqn s MET 142 CO 0.03 -1.40 0.32 0.08 -0.01 0.00 0.00 175.02 174.04 3gqn s VAL 143 N -2.49 0.02 -0.28 -6.03 1.01 0.60 -2.03 120.40 111.20 3gqn s VAL 143 Ca 0.66 -0.16 0.19 0.00 0.00 0.00 0.00 61.98 62.66 3gqn s VAL 143 Cb -0.20 -0.51 -0.26 0.00 0.00 0.00 0.00 36.38 35.41 3gqn s VAL 143 CO 0.46 -0.09 0.52 -1.54 0.00 0.00 0.00 175.10 174.45 3gqn n SER 144 N 2.36 0.75 -3.72 3.32 3.41 -1.26 -0.33 113.62 118.15 3gqn n SER 144 Ca -0.16 -0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.04 3gqn n SER 144 Cb 0.57 1.59 -0.07 0.00 -0.26 0.00 0.00 64.21 66.05 3gqn n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqn s ARG 145 N -3.12 0.85 0.25 4.33 1.70 -1.26 -4.70 118.95 117.00 3gqn s ARG 145 Ca -0.03 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 3gqn s ARG 145 Cb 0.13 0.37 -0.14 0.00 -0.57 0.00 0.00 34.95 34.74 3gqn s ARG 145 CO 0.77 -0.28 1.21 0.41 -1.08 0.00 0.00 175.30 176.33 3gqn n GLY 146 N 0.57 0.26 3.64 3.88 0.00 -1.26 -4.93 105.19 107.35 3gqn n GLY 146 Ca -0.19 0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 3gqn n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqn s ILE 147 N -0.53 4.51 0.09 -0.61 1.01 -0.29 -4.97 121.20 120.41 3gqn s ILE 147 Ca 0.65 1.76 -0.20 0.00 0.00 0.00 0.00 60.65 62.86 3gqn s ILE 147 Cb -0.71 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.36 3gqn s ILE 147 CO 0.55 -0.38 0.60 -0.54 0.00 0.00 0.00 174.94 175.17 3gqn s LYS 148 N 3.57 4.25 -0.26 2.79 1.02 -1.26 -1.66 119.74 128.19 3gqn s LYS 148 Ca 0.47 0.79 0.03 0.00 0.02 0.00 0.00 55.97 57.27 3gqn s LYS 148 Cb -0.14 -3.22 0.06 0.00 -0.52 0.00 0.00 37.83 34.01 3gqn s LYS 148 CO 0.14 0.62 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.58 3gqn s LEU 149 N -1.17 3.32 0.95 3.17 1.43 -0.03 -4.78 118.68 121.57 3gqn s LEU 149 Ca 0.31 -1.39 -0.15 0.00 -1.03 0.00 0.00 54.13 51.87 3gqn s LEU 149 Cb -0.20 -1.48 0.18 0.00 0.03 0.00 0.00 46.19 44.72 3gqn s LEU 149 CO 0.20 -0.21 1.24 -2.16 0.23 0.00 0.00 176.35 175.66 3gqn s PRO 150 N 1.15 0.76 0.67 1.29 0.04 -1.26 -0.73 135.00 136.93 3gqn s PRO 150 Ca -0.07 -0.17 -0.17 0.00 0.04 0.00 0.00 61.00 60.62 3gqn s PRO 150 Cb -0.20 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3gqn s PRO 150 CO -0.05 -2.37 1.28 0.43 0.04 0.00 0.00 177.00 176.33 3gqn n SER 151 N -3.79 1.94 -3.52 6.66 7.64 -1.26 -3.89 113.62 117.40 3gqn n SER 151 Ca 0.12 0.80 -0.19 0.00 1.01 0.00 0.00 58.87 60.60 3gqn n SER 151 Cb 0.60 -1.55 0.06 0.00 -1.01 0.00 0.00 64.21 62.31 3gqn n SER 151 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gqn n ASN 152 N -2.10 -2.73 -4.49 6.43 3.02 0.11 -4.92 115.26 110.57 3gqn n ASN 152 Ca 0.16 -0.74 -0.34 0.00 -0.03 0.00 0.00 54.58 53.63 3gqn n ASN 152 Cb 0.48 -4.60 -0.12 0.00 -0.61 0.00 0.00 39.78 34.93 3gqn n ASN 152 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3gqn s THR 153 N -3.49 3.61 -0.24 3.41 -1.32 -1.07 -4.98 115.64 111.55 3gqn s THR 153 Ca 0.11 -0.48 -0.04 0.00 -1.21 0.00 0.00 61.69 60.07 3gqn s THR 153 Cb -0.02 -2.53 -0.00 0.00 -1.51 0.00 0.00 72.50 68.44 3gqn s THR 153 CO 0.77 0.54 -0.01 -0.69 -2.21 0.00 0.00 174.62 173.02 3gqn s VAL 154 N -0.03 3.47 -0.39 5.08 1.01 -1.26 -1.27 120.40 127.01 3gqn s VAL 154 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3gqn s VAL 154 Cb -0.13 -2.66 0.12 0.00 0.00 0.00 0.00 36.38 33.70 3gqn s VAL 154 CO 0.03 0.31 0.16 -0.22 0.00 0.00 0.00 175.10 175.38 3gqn s LEU 155 N 1.47 2.97 -0.11 3.92 2.96 0.37 -0.86 118.68 129.40 3gqn s LEU 155 Ca 0.04 -2.25 0.01 0.00 -0.22 0.00 0.00 54.13 51.72 3gqn s LEU 155 Cb -0.15 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 3gqn s LEU 155 CO -0.02 -0.33 -0.16 0.28 -1.32 0.00 0.00 176.35 174.80 3gqn s THR 156 N 0.82 2.78 0.00 3.68 -1.32 -0.98 -1.70 115.64 118.92 3gqn s THR 156 Ca 0.14 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 3gqn s THR 156 Cb -0.21 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 3gqn s THR 156 CO -0.10 0.54 0.00 0.61 -2.21 0.00 0.00 174.62 173.47 3gqn n GLY 157 N 3.38 2.50 0.16 6.08 0.00 0.82 -2.10 105.19 116.03 3gqn n GLY 157 Ca -0.18 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 43.86 3gqn n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqn n ALA 158 N -3.00 3.32 0.00 4.61 0.00 -0.46 -4.75 120.51 120.23 3gqn n ALA 158 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3gqn n ALA 158 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3gqn n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqn n GLY 159 N 1.41 2.45 3.77 0.00 0.00 0.41 -4.77 105.19 108.45 3gqn n GLY 159 Ca 0.09 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 3gqn n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqn s LYS 160 N -1.68 3.84 -1.52 1.61 1.02 -1.26 -2.39 119.74 119.37 3gqn s LYS 160 Ca 0.00 2.02 -0.07 0.00 0.02 0.00 0.00 55.97 57.94 3gqn s LYS 160 Cb 0.00 -2.61 0.06 0.00 -0.52 0.00 0.00 37.83 34.76 3gqn s LYS 160 CO 0.00 -0.55 0.53 0.54 -0.92 0.00 0.00 175.35 174.95 3gqn n ARG 161 N -0.15 -3.18 0.01 1.68 1.74 -1.26 -4.70 116.66 110.80 3gqn n ARG 161 Ca 0.05 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3gqn n ARG 161 Cb 0.45 -4.69 0.00 0.00 -1.02 0.00 0.00 32.46 27.20 3gqn n ARG 161 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gqn n ASN 162 N -2.86 -0.14 -4.42 0.55 2.85 -1.22 -5.00 115.26 105.01 3gqn n ASN 162 Ca -0.17 0.04 -0.44 0.00 -0.11 0.00 0.00 54.58 53.90 3gqn n ASN 162 Cb 0.62 0.38 -0.06 0.00 1.24 0.00 0.00 39.78 41.96 3gqn n ASN 162 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gqn s ALA 163 N -1.51 3.40 -0.09 5.20 0.00 -1.00 -1.70 121.76 126.05 3gqn s ALA 163 Ca 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.01 3gqn s ALA 163 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3gqn s ALA 163 CO 0.00 -2.14 -0.04 0.08 0.00 0.00 0.00 175.76 173.65 3gqn s VAL 164 N 2.65 3.91 -0.14 0.00 1.01 -0.39 -1.21 120.40 126.23 3gqn s VAL 164 Ca 0.14 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3gqn s VAL 164 Cb -0.21 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3gqn s VAL 164 CO 0.10 0.58 -0.22 -0.63 0.00 0.00 0.00 175.10 174.92 3gqn s ILE 165 N -0.54 2.04 0.01 2.22 1.01 0.09 -0.26 121.20 125.77 3gqn s ILE 165 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3gqn s ILE 165 Cb -0.12 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3gqn s ILE 165 CO 0.02 0.55 -0.09 -0.60 0.00 0.00 0.00 174.94 174.82 3gqn s ARG 166 N 0.83 0.67 0.36 2.79 3.52 -0.84 -0.64 118.95 125.64 3gqn s ARG 166 Ca -0.07 -0.46 -0.26 0.00 -0.13 0.00 0.00 55.73 54.81 3gqn s ARG 166 Cb -0.15 -0.62 -0.09 0.00 -1.56 0.00 0.00 34.95 32.52 3gqn s ARG 166 CO -0.02 0.16 1.09 -0.06 -0.81 0.00 0.00 175.30 175.66 3gqn s PHE 167 N -0.52 3.34 0.54 5.12 2.99 -1.10 -0.29 117.98 128.06 3gqn s PHE 167 Ca 0.00 1.65 -0.16 0.00 0.00 0.00 0.00 56.93 58.42 3gqn s PHE 167 Cb -0.05 -3.24 -0.07 0.00 0.00 0.00 0.00 43.02 39.66 3gqn s PHE 167 CO 0.00 -0.75 1.00 -1.64 -0.00 0.00 0.00 175.22 173.83 3gqn s MET 168 N -2.07 3.80 0.00 0.44 -1.94 0.55 -4.74 119.30 115.34 3gqn s MET 168 Ca 0.53 0.95 0.02 0.00 -1.71 0.00 0.00 55.69 55.48 3gqn s MET 168 Cb -0.28 -2.11 0.11 0.00 2.01 0.00 0.00 34.83 34.56 3gqn s MET 168 CO 0.35 -0.40 0.78 -0.25 -0.01 0.00 0.00 175.02 175.49 3gqn n ASP 169 N -1.84 0.00 -0.39 3.03 9.92 -1.26 -2.26 116.55 123.75 3gqn n ASP 169 Ca 0.07 0.15 0.06 0.00 -0.53 0.00 0.00 54.79 54.54 3gqn n ASP 169 Cb 0.54 -0.19 0.10 0.00 -0.64 0.00 0.00 41.12 40.93 3gqn n ASP 169 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3gqn n SER 170 N -1.19 1.47 -4.76 -2.24 3.41 -1.26 -4.94 113.62 104.12 3gqn n SER 170 Ca 0.01 -2.81 -0.40 0.00 -0.26 0.00 0.00 58.87 55.42 3gqn n SER 170 Cb 0.01 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 3gqn n SER 170 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gqn s VAL 171 N -1.87 3.88 0.00 -3.33 1.01 -0.96 -5.06 120.40 114.07 3gqn s VAL 171 Ca 0.24 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.08 3gqn s VAL 171 Cb 0.22 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3gqn s VAL 171 CO -0.01 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3gqn n GLY 172 N 1.30 -1.13 3.45 4.51 0.00 -1.26 -5.06 105.19 106.99 3gqn n GLY 172 Ca -0.01 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 3gqn n GLY 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqn s ARG 173 N 0.00 1.96 0.00 1.61 1.81 -1.26 -4.81 118.95 118.27 3gqn s ARG 173 Ca 0.00 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 52.96 3gqn s ARG 173 Cb 0.00 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 3gqn s ARG 173 CO 0.00 0.52 0.00 0.41 -0.68 0.00 0.00 175.30 175.55 3gqn n GLY 174 N 1.40 1.03 3.19 -3.53 0.00 -1.26 -5.12 105.19 100.90 3gqn n GLY 174 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3gqn n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqn s GLU 175 N -0.14 1.43 0.21 1.61 2.02 -1.26 -4.64 118.70 117.93 3gqn s GLU 175 Ca 0.00 -0.70 -0.26 0.00 0.02 0.00 0.00 54.97 54.03 3gqn s GLU 175 Cb 0.00 -1.41 -0.08 0.00 0.10 0.00 0.00 34.13 32.74 3gqn s GLU 175 CO 0.00 0.38 0.83 -1.12 0.02 0.00 0.00 175.26 175.37 3gqn s SER 176 N -0.58 7.43 0.20 -0.19 0.01 -1.26 -3.77 113.70 115.53 3gqn s SER 176 Ca 0.07 1.73 -0.14 0.00 1.31 0.00 0.00 55.95 58.92 3gqn s SER 176 Cb -0.07 -2.53 0.21 0.00 0.21 0.00 0.00 66.02 63.84 3gqn s SER 176 CO -0.00 0.15 1.65 0.25 0.41 0.00 0.00 173.24 175.70 3gqn h LEU 177 N 4.07 -0.40 -7.94 2.44 6.46 -1.43 -3.39 115.31 115.13 3gqn h LEU 177 Ca -0.47 0.15 -0.42 0.00 -0.12 0.00 0.00 57.88 57.03 3gqn h LEU 177 Cb 1.20 0.30 -0.31 0.00 -0.73 0.00 0.00 40.66 41.12 3gqn h LEU 177 CO 0.66 -0.15 -0.78 -0.32 -0.62 0.00 0.00 178.44 177.23 3gqn s MET 178 N -6.20 0.93 0.11 1.25 0.00 -1.09 -1.14 119.30 113.16 3gqn s MET 178 Ca -0.14 -0.27 -0.25 0.00 0.00 0.00 0.00 55.69 55.03 3gqn s MET 178 Cb 0.18 -0.87 0.07 0.00 0.00 0.00 0.00 34.83 34.21 3gqn s MET 178 CO 0.73 0.08 0.81 1.52 0.00 0.00 0.00 175.02 178.16 3gqn s TYR 179 N 0.29 -0.32 0.45 4.11 1.13 -0.66 -1.53 117.35 120.81 3gqn s TYR 179 Ca -0.04 0.09 -0.22 0.00 -1.41 0.00 0.00 57.07 55.48 3gqn s TYR 179 Cb -0.09 0.59 -0.08 0.00 -1.10 0.00 0.00 41.96 41.27 3gqn s TYR 179 CO 0.01 -0.77 1.08 0.54 -2.51 0.00 0.00 175.55 173.89 3gqn s ASN 180 N -2.71 6.42 0.02 -0.18 6.03 -1.18 -0.86 114.94 122.48 3gqn s ASN 180 Ca 0.06 2.07 -0.20 0.00 -1.03 0.00 0.00 52.86 53.77 3gqn s ASN 180 Cb -0.02 -2.58 -0.11 0.00 -3.03 0.00 0.00 41.25 35.51 3gqn s ASN 180 CO -0.05 -0.73 1.11 -0.08 -2.03 0.00 0.00 177.10 175.32 3gqn h GLU 181 N 2.02 -0.68 -5.70 3.55 4.81 -1.23 -3.38 114.58 113.96 3gqn h GLU 181 Ca -0.49 0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 58.45 3gqn h GLU 181 Cb 1.23 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.71 3gqn h GLU 181 CO 0.60 -0.45 0.90 1.21 -0.73 0.00 0.00 179.01 180.54 3gqn s ASN 182 N -3.50 5.28 0.34 1.04 3.84 -1.26 -4.81 114.94 115.87 3gqn s ASN 182 Ca -0.10 -0.99 0.04 0.00 0.21 0.00 0.00 52.86 52.02 3gqn s ASN 182 Cb 0.01 -2.57 0.62 0.00 -0.55 0.00 0.00 41.25 38.76 3gqn s ASN 182 CO 0.31 -2.67 1.92 0.58 -2.79 0.00 0.00 177.10 174.45 3gqn h VAL 183 N 6.96 1.18 0.02 -5.21 2.07 -1.90 0.15 116.25 119.52 3gqn h VAL 183 Ca 0.14 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3gqn h VAL 183 Cb 0.99 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3gqn h VAL 183 CO 1.24 0.23 -0.01 0.74 0.02 0.00 0.00 177.57 179.79 3gqn h THR 184 N 0.61 1.18 -0.01 2.57 2.02 -1.92 -1.63 112.91 115.73 3gqn h THR 184 Ca 0.14 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3gqn h THR 184 Cb 0.19 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 3gqn h THR 184 CO -0.01 0.39 -0.08 0.41 0.37 0.00 0.00 175.52 176.60 3gqn n THR 185 N -4.70 0.00 -0.49 3.16 -1.04 -1.24 -4.31 114.28 105.66 3gqn n THR 185 Ca -0.07 -0.46 0.05 0.00 -2.04 0.00 0.00 64.05 61.54 3gqn n THR 185 Cb 0.32 1.25 -0.01 0.00 -1.82 0.00 0.00 70.33 70.06 3gqn n THR 185 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gqn n GLY 186 N 0.85 -2.16 1.11 3.41 0.00 0.54 -4.81 105.19 104.12 3gqn n GLY 186 Ca 0.07 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 3gqn n GLY 186 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gqn n ASN 187 N -1.88 1.30 -4.07 1.61 3.02 -1.26 -4.66 115.26 109.32 3gqn n ASN 187 Ca 0.00 -1.71 -0.11 0.00 -0.03 0.00 0.00 54.58 52.74 3gqn n ASN 187 Cb 0.18 0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 39.54 3gqn n ASN 187 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gqn s GLU 188 N -2.52 0.56 -1.18 3.52 2.02 -1.26 -1.62 118.70 118.22 3gqn s GLU 188 Ca 0.05 -0.93 -0.14 0.00 0.02 0.00 0.00 54.97 53.98 3gqn s GLU 188 Cb 0.00 -0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.12 3gqn s GLU 188 CO 0.04 -0.01 0.76 0.09 0.02 0.00 0.00 175.26 176.16 3gqn n ASN 189 N 0.94 -4.43 -4.82 -0.19 3.02 -0.89 0.09 115.26 108.98 3gqn n ASN 189 Ca -0.19 -0.95 -0.36 0.00 -0.03 0.00 0.00 54.58 53.05 3gqn n ASN 189 Cb 0.57 -3.69 -0.07 0.00 -0.61 0.00 0.00 39.78 35.98 3gqn n ASN 189 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gqn s ILE 190 N -3.53 5.45 -0.18 2.41 1.01 -1.10 -2.60 121.20 122.65 3gqn s ILE 190 Ca 0.36 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 3gqn s ILE 190 Cb -0.11 -3.42 0.05 0.00 0.01 0.00 0.00 42.46 38.99 3gqn s ILE 190 CO 0.84 0.55 -0.03 -0.36 0.00 0.00 0.00 174.94 175.95 3gqn s PHE 191 N -0.51 1.59 -0.19 3.97 0.40 -0.40 -1.28 117.98 121.56 3gqn s PHE 191 Ca 0.12 -1.10 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 3gqn s PHE 191 Cb -0.12 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.17 3gqn s PHE 191 CO 0.02 -0.63 -0.17 -0.51 0.70 0.00 0.00 175.22 174.63 3gqn s LEU 192 N 1.67 2.30 -0.02 -0.37 1.43 -0.42 -0.48 118.68 122.80 3gqn s LEU 192 Ca -0.01 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3gqn s LEU 192 Cb -0.16 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3gqn s LEU 192 CO -0.07 0.00 -0.02 -0.44 0.23 0.00 0.00 176.35 176.05 3gqn s SER 193 N 1.29 0.42 -0.92 2.29 0.01 -0.69 -0.07 113.70 116.03 3gqn s SER 193 Ca 0.04 -0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 3gqn s SER 193 Cb -0.13 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 3gqn s SER 193 CO -0.10 -0.04 0.82 -1.20 0.41 0.00 0.00 173.24 173.13 3gqn n SER 194 N 3.66 -6.63 -3.55 2.44 7.64 -0.70 -0.13 113.62 116.35 3gqn n SER 194 Ca -0.21 -0.53 -0.15 0.00 1.01 0.00 0.00 58.87 58.99 3gqn n SER 194 Cb 0.54 -4.96 -0.05 0.00 -1.01 0.00 0.00 64.21 58.72 3gqn n SER 194 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3gqn s PHE 195 N -3.28 -0.48 0.11 1.43 -0.12 -1.16 -0.44 117.98 114.04 3gqn s PHE 195 Ca 0.33 0.59 -0.22 0.00 -0.05 0.00 0.00 56.93 57.59 3gqn s PHE 195 Cb -0.04 0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 3gqn s PHE 195 CO 0.70 -0.65 0.66 0.99 -0.05 0.00 0.00 175.22 176.87 3gqn s THR 196 N -2.25 4.60 -0.29 -4.49 2.01 -0.35 -2.00 115.64 112.86 3gqn s THR 196 Ca -0.06 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.40 3gqn s THR 196 Cb -0.01 -4.01 0.07 0.00 0.01 0.00 0.00 72.50 68.57 3gqn s THR 196 CO 0.00 0.53 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.65 3gqn s LEU 197 N -1.03 3.90 -0.47 4.42 1.43 0.18 -0.74 118.68 126.37 3gqn s LEU 197 Ca 0.32 -1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 51.63 3gqn s LEU 197 Cb -0.21 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.47 3gqn s LEU 197 CO 0.22 -0.26 0.51 -0.62 0.23 0.00 0.00 176.35 176.43 3gqn s ASP 198 N 1.08 6.20 0.40 2.29 3.68 0.19 -1.76 116.67 128.74 3gqn s ASP 198 Ca -0.03 -0.93 0.28 0.00 2.13 0.00 0.00 52.55 54.01 3gqn s ASP 198 Cb -0.20 -2.24 1.33 0.00 -1.45 0.00 0.00 42.92 40.36 3gqn s ASP 198 CO -0.05 -0.73 1.86 1.23 0.13 0.00 0.00 175.17 177.60 3gqn h GLY 199 N 9.26 0.00 -6.20 2.66 0.00 -1.28 -2.91 103.07 104.60 3gqn h GLY 199 Ca -0.27 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.62 3gqn h GLY 199 CO 0.89 0.00 -0.87 -2.01 0.00 0.00 0.00 176.54 174.55 3gqn n ASN 200 N -2.55 -2.07 0.20 0.19 4.05 -1.12 -4.53 115.26 109.43 3gqn n ASN 200 Ca 0.00 -0.91 0.06 0.00 0.45 0.00 0.00 54.58 54.19 3gqn n ASN 200 Cb 0.17 -3.69 0.40 0.00 1.23 0.00 0.00 39.78 37.89 3gqn n ASN 200 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 3gqn h ASN 201 N -1.83 0.00 -1.02 1.20 -1.24 -1.88 -3.14 115.58 107.68 3gqn h ASN 201 Ca -0.63 0.00 0.39 0.00 0.71 0.00 0.00 56.30 56.78 3gqn h ASN 201 Cb 1.36 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 40.24 3gqn h ASN 201 CO 0.56 0.33 0.57 0.50 -1.29 0.00 0.00 177.43 178.10 3gqn h LYS 202 N 0.00 0.09 0.00 6.67 3.64 -1.86 0.20 116.57 125.32 3gqn h LYS 202 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3gqn h LYS 202 Cb 0.78 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3gqn h LYS 202 CO 0.04 0.06 -0.01 0.07 -2.27 0.00 0.00 179.45 177.34 3gqn h ARG 203 N 0.10 0.00 0.00 1.90 0.11 -1.91 -2.87 114.38 111.71 3gqn h ARG 203 Ca 0.82 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.90 3gqn h ARG 203 Cb 2.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.19 3gqn h ARG 203 CO -0.70 0.01 -1.01 1.28 0.10 0.00 0.00 179.97 179.65 3gqn n LEU 204 N -3.72 0.82 0.00 0.08 4.77 0.06 -5.03 117.00 113.98 3gqn n LEU 204 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3gqn n LEU 204 Cb 0.10 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3gqn n LEU 204 CO 0.27 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3gqn n GLY 205 N 1.19 -0.92 3.72 -0.72 0.00 -1.09 -5.00 105.19 102.38 3gqn n GLY 205 Ca 0.00 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3gqn n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqn s GLN 206 N -0.31 4.63 -0.66 1.61 -1.52 -1.26 -4.38 119.66 117.77 3gqn s GLN 206 Ca 0.00 1.44 -0.01 0.00 -1.95 0.00 0.00 55.36 54.84 3gqn s GLN 206 Cb 0.00 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 3gqn s GLN 206 CO 0.00 0.09 0.56 0.41 -0.25 0.00 0.00 175.29 176.10 3gqn n GLY 207 N 2.55 0.05 3.27 3.09 0.00 -1.26 -5.05 105.19 107.84 3gqn n GLY 207 Ca 0.04 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3gqn n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqn s ILE 208 N -3.19 1.91 0.48 -0.61 1.01 -1.26 -5.12 121.20 114.43 3gqn s ILE 208 Ca 0.08 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3gqn s ILE 208 Cb -0.04 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 3gqn s ILE 208 CO 0.39 0.54 0.06 -0.55 0.00 0.00 0.00 174.94 175.38 3gqn s SER 209 N -0.48 3.66 0.42 3.58 0.15 -1.26 -4.86 113.70 114.92 3gqn s SER 209 Ca 0.07 -1.71 -0.23 0.00 0.70 0.00 0.00 55.95 54.78 3gqn s SER 209 Cb -0.10 0.63 -0.12 0.00 -1.71 0.00 0.00 66.02 64.72 3gqn s SER 209 CO -0.00 -0.94 0.72 0.61 1.20 0.00 0.00 173.24 174.83 3gqn n GLY 210 N -1.16 -1.01 0.10 9.45 0.00 -1.20 -4.90 105.19 106.46 3gqn n GLY 210 Ca -0.15 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3gqn n GLY 210 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gqn n ILE 211 N -0.74 0.00 0.00 -0.61 -6.64 -1.26 -4.93 119.36 105.17 3gqn n ILE 211 Ca 0.11 -0.05 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 3gqn n ILE 211 Cb 0.39 -0.20 0.00 0.00 -1.44 0.00 0.00 39.64 38.40 3gqn n ILE 211 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3gqn n GLY 212 N 1.21 4.35 7.00 3.28 0.00 -1.26 -5.12 105.19 114.65 3gqn n GLY 212 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3gqn n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqn n GLY 213 N -0.89 -0.16 0.03 -0.02 0.00 -1.26 -3.61 105.19 99.28 3gqn n GLY 213 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3gqn n GLY 213 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gqn n SER 214 N -0.98 0.07 -4.75 1.61 3.41 0.22 -4.88 113.62 108.32 3gqn n SER 214 Ca 0.00 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.20 3gqn n SER 214 Cb 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 3gqn n SER 214 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gqn s ARG 215 N -1.98 4.60 0.00 4.33 0.52 -1.24 -4.20 118.95 120.98 3gqn s ARG 215 Ca 0.01 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 57.05 3gqn s ARG 215 Cb 0.00 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.27 3gqn s ARG 215 CO 0.01 0.13 0.00 0.39 0.02 0.00 0.00 175.30 175.84 3gqn n GLU 216 N 1.51 0.00 -2.84 3.54 1.02 -1.25 -4.53 120.64 118.09 3gqn n GLU 216 Ca 0.00 0.04 -0.25 0.00 -0.02 0.00 0.00 57.16 56.93 3gqn n GLU 216 Cb 0.45 -2.39 0.01 0.00 -0.02 0.00 0.00 31.44 29.49 3gqn n GLU 216 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3gqn s SER 217 N -2.67 6.05 0.44 1.62 0.01 -1.26 -1.16 113.70 116.73 3gqn s SER 217 Ca 0.00 0.63 0.23 0.00 1.31 0.00 0.00 55.95 58.13 3gqn s SER 217 Cb 0.00 -1.94 0.96 0.00 0.21 0.00 0.00 66.02 65.25 3gqn s SER 217 CO 0.00 -0.63 1.85 0.78 0.41 0.00 0.00 173.24 175.65 3gqn h ASN 218 N 0.31 0.00 -3.45 2.44 4.21 -1.20 -1.40 115.58 116.48 3gqn h ASN 218 Ca -0.47 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 56.90 3gqn h ASN 218 Cb 1.23 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.16 3gqn h ASN 218 CO 0.60 0.24 -0.33 -0.22 -1.29 0.00 0.00 177.43 176.44 3gqn s LEU 219 N -6.96 0.23 -0.14 1.61 2.96 -0.59 -2.68 118.68 113.11 3gqn s LEU 219 Ca -0.00 0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 54.65 3gqn s LEU 219 Cb 0.11 1.20 0.05 0.00 0.50 0.00 0.00 46.19 48.05 3gqn s LEU 219 CO 0.64 -0.17 0.04 -0.44 -1.32 0.00 0.00 176.35 175.10 3gqn s SER 220 N 0.99 2.28 -0.34 3.68 0.01 -0.58 -1.41 113.70 118.33 3gqn s SER 220 Ca -0.06 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 3gqn s SER 220 Cb -0.07 -0.45 0.03 0.00 0.21 0.00 0.00 66.02 65.74 3gqn s SER 220 CO -0.08 -0.28 0.12 -0.63 0.41 0.00 0.00 173.24 172.79 3gqn s ILE 221 N 1.96 3.92 -0.14 1.44 -1.09 -0.16 -3.12 121.20 124.01 3gqn s ILE 221 Ca 0.02 -1.05 0.01 0.00 -2.23 0.00 0.00 60.65 57.40 3gqn s ILE 221 Cb -0.15 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 3gqn s ILE 221 CO -0.07 -0.16 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.19 3gqn s ARG 222 N 1.44 3.24 -1.39 2.79 0.52 -1.26 -0.61 118.95 123.68 3gqn s ARG 222 Ca -0.01 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 3gqn s ARG 222 Cb -0.19 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.70 3gqn s ARG 222 CO 0.03 0.10 0.00 0.00 0.02 0.00 0.00 175.30 175.45 3gqn n ALA 223 N 3.82 -0.44 -2.52 2.13 0.00 -0.68 -4.14 120.51 118.67 3gqn n ALA 223 Ca -0.19 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 3gqn n ALA 223 Cb 0.52 -1.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 3gqn n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqn s HIS 225 N -1.69 2.94 -0.71 0.00 3.76 -0.64 -0.64 115.29 118.30 3gqn s HIS 225 Ca 0.43 0.00 -0.05 0.00 -0.15 0.00 0.00 55.06 55.30 3gqn s HIS 225 Cb -0.12 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 31.92 3gqn s HIS 225 CO 0.22 0.38 0.66 0.09 -0.85 0.00 0.00 174.74 175.23 3gqn n ASN 226 N 1.75 -6.78 -4.36 1.40 3.02 -0.11 -2.10 115.26 108.08 3gqn n ASN 226 Ca -0.16 -0.27 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 3gqn n ASN 226 Cb 0.53 -3.99 -0.14 0.00 -0.61 0.00 0.00 39.78 35.56 3gqn n ASN 226 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gqn s VAL 227 N -2.85 3.00 -0.27 2.41 1.01 -0.41 -2.72 120.40 120.58 3gqn s VAL 227 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3gqn s VAL 227 Cb -0.01 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.18 3gqn s VAL 227 CO 0.81 0.52 -0.06 -0.31 0.00 0.00 0.00 175.10 176.06 3gqn s TYR 228 N 0.39 3.05 -0.26 5.22 1.51 -0.41 -0.69 117.35 126.15 3gqn s TYR 228 Ca -0.11 -2.26 -0.04 0.00 -1.01 0.00 0.00 57.07 53.65 3gqn s TYR 228 Cb -0.16 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 3gqn s TYR 228 CO 0.05 -0.86 0.00 0.42 -1.11 0.00 0.00 175.55 174.05 3gqn s ILE 229 N 1.17 3.47 -0.00 2.71 1.01 0.13 -1.30 121.20 128.39 3gqn s ILE 229 Ca -0.04 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3gqn s ILE 229 Cb -0.19 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 3gqn s ILE 229 CO -0.07 0.21 -0.14 -0.13 0.00 0.00 0.00 174.94 174.81 3gqn s ARG 230 N 1.44 1.12 -1.49 2.79 0.52 0.90 -1.12 118.95 123.11 3gqn s ARG 230 Ca 0.03 -0.55 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 3gqn s ARG 230 Cb -0.16 -1.09 0.07 0.00 0.52 0.00 0.00 34.95 34.29 3gqn s ARG 230 CO -0.01 0.29 1.04 -3.47 0.02 0.00 0.00 175.30 173.17 3gqn n ASP 231 N 2.60 -5.23 -4.65 0.23 2.03 -0.61 -1.72 116.55 109.19 3gqn n ASP 231 Ca -0.15 -0.72 -0.35 0.00 0.52 0.00 0.00 54.79 54.09 3gqn n ASP 231 Cb 0.55 -4.16 -0.09 0.00 -0.72 0.00 0.00 41.12 36.69 3gqn n ASP 231 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gqn s ILE 232 N -3.30 4.74 -0.23 5.18 -1.09 -1.26 -2.95 121.20 122.28 3gqn s ILE 232 Ca 0.65 -0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.94 3gqn s ILE 232 Cb -0.32 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.42 3gqn s ILE 232 CO 0.81 0.50 0.06 -0.70 -1.23 0.00 0.00 174.94 174.37 3gqn s GLU 233 N 0.08 3.71 -0.34 2.79 2.12 -0.85 -0.61 118.70 125.61 3gqn s GLU 233 Ca 0.05 -0.46 -0.06 0.00 0.36 0.00 0.00 54.97 54.86 3gqn s GLU 233 Cb -0.12 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.05 3gqn s GLU 233 CO 0.01 -0.06 0.09 0.00 -0.54 0.00 0.00 175.26 174.76 3gqn s ALA 234 N 1.26 3.02 0.22 6.30 0.00 0.21 0.47 121.76 133.24 3gqn s ALA 234 Ca 0.05 -1.77 0.09 0.00 0.00 0.00 0.00 51.96 50.32 3gqn s ALA 234 Cb -0.15 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3gqn s ALA 234 CO 0.03 -1.34 -0.02 0.08 0.00 0.00 0.00 175.76 174.51 3gqn s VAL 235 N 1.38 3.50 -0.76 0.00 1.01 -0.72 -1.14 120.40 123.67 3gqn s VAL 235 Ca -0.02 -1.68 -0.07 0.00 0.00 0.00 0.00 61.98 60.21 3gqn s VAL 235 Cb -0.20 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3gqn s VAL 235 CO 0.02 -0.23 0.62 -0.67 0.00 0.00 0.00 175.10 174.84 3gqn n ASP 236 N -0.44 -5.04 -4.90 3.32 2.03 -1.16 -2.32 116.55 108.04 3gqn n ASP 236 Ca -0.08 -0.81 -0.34 0.00 0.52 0.00 0.00 54.79 54.07 3gqn n ASP 236 Cb 0.57 -1.77 -0.05 0.00 -0.72 0.00 0.00 41.12 39.15 3gqn n ASP 236 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gqn h THR 238 N 3.16 1.13 0.00 0.00 2.02 -1.85 -2.93 112.91 114.45 3gqn h THR 238 Ca -0.51 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.08 3gqn h THR 238 Cb 1.20 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 3gqn h THR 238 CO 0.66 0.35 0.00 -0.11 0.37 0.00 0.00 175.52 176.78 3gqn n LEU 239 N -4.77 0.00 -4.97 2.58 0.00 -0.31 -3.19 117.00 106.35 3gqn n LEU 239 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.73 3gqn n LEU 239 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.71 3gqn n LEU 239 CO 0.25 0.00 0.02 -1.00 0.00 0.00 0.00 177.39 176.66 3gqn s HIS 240 N 1.12 3.39 -0.01 1.96 3.76 -1.26 -0.78 115.29 123.45 3gqn s HIS 240 Ca 0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 55.06 54.84 3gqn s HIS 240 Cb 0.00 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 3gqn s HIS 240 CO 0.00 0.29 0.51 0.78 -0.85 0.00 0.00 174.74 175.47 3gqn h GLY 241 N 1.04 -0.25 -5.85 -2.22 0.00 -1.22 -1.33 103.07 93.24 3gqn h GLY 241 Ca -0.50 0.09 -0.57 0.00 0.00 0.00 0.00 47.33 46.35 3gqn h GLY 241 CO 0.59 -0.09 -0.83 -0.42 0.00 0.00 0.00 176.54 175.79 3gqn s ILE 242 N -2.48 1.44 -0.08 2.60 1.01 -0.53 -1.54 121.20 121.62 3gqn s ILE 242 Ca -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.00 3gqn s ILE 242 Cb 0.00 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.18 3gqn s ILE 242 CO 0.11 0.43 -0.14 -0.62 0.00 0.00 0.00 174.94 174.71 3gqn s ASP 243 N 0.78 2.07 -0.18 3.58 3.68 -0.50 -1.33 116.67 124.77 3gqn s ASP 243 Ca -0.11 -0.35 -0.03 0.00 2.13 0.00 0.00 52.55 54.18 3gqn s ASP 243 Cb -0.16 -0.94 -0.02 0.00 -1.45 0.00 0.00 42.92 40.35 3gqn s ASP 243 CO 0.02 0.04 -0.05 -0.63 0.13 0.00 0.00 175.17 174.68 3gqn s ILE 244 N 0.71 3.55 0.31 4.11 -1.09 0.11 -0.99 121.20 127.90 3gqn s ILE 244 Ca -0.13 -0.46 -0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3gqn s ILE 244 Cb -0.16 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 3gqn s ILE 244 CO 0.03 0.46 0.40 1.07 -1.23 0.00 0.00 174.94 175.68 3gqn n THR 245 N 4.12 0.00 -2.27 2.92 5.66 0.22 0.54 114.28 125.47 3gqn n THR 245 Ca -0.18 -1.67 -0.17 0.00 -3.05 0.00 0.00 64.05 58.98 3gqn n THR 245 Cb 0.52 0.99 0.10 0.00 -1.55 0.00 0.00 70.33 70.39 3gqn n THR 245 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gqn s GLY 247 N -4.51 2.92 0.00 0.00 0.00 -0.38 -3.82 107.32 101.53 3gqn s GLY 247 Ca 0.48 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.62 3gqn s GLY 247 CO 0.33 2.01 0.00 0.61 0.00 0.00 0.00 173.10 176.05 3gqn n GLY 248 N 0.60 2.48 0.10 0.20 0.00 -0.61 -4.89 105.19 103.06 3gqn n GLY 248 Ca 0.05 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 3gqn n GLY 248 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gqn h LEU 249 N 0.00 0.25 -9.99 0.99 3.38 -1.89 -3.46 115.31 104.59 3gqn h LEU 249 Ca 0.00 -0.35 -0.51 0.00 0.09 0.00 0.00 57.88 57.11 3gqn h LEU 249 Cb 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3gqn h LEU 249 CO 0.00 1.29 0.04 -1.81 0.09 0.00 0.00 178.44 178.05 3gqn s ASP 250 N -6.78 6.76 0.07 -0.43 1.01 -1.26 0.71 116.67 116.75 3gqn s ASP 250 Ca -0.06 1.19 -0.30 0.00 0.71 0.00 0.00 52.55 54.09 3gqn s ASP 250 Cb 0.08 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.62 3gqn s ASP 250 CO 0.84 -0.14 1.12 -0.31 0.21 0.00 0.00 175.17 176.89 3gqn s TYR 251 N -1.88 3.53 0.34 4.23 4.12 -1.26 -4.82 117.35 121.61 3gqn s TYR 251 Ca 0.51 1.47 -0.26 0.00 0.02 0.00 0.00 57.07 58.81 3gqn s TYR 251 Cb -0.11 -3.31 -0.09 0.00 -1.52 0.00 0.00 41.96 36.92 3gqn s TYR 251 CO 0.19 -0.81 1.00 -1.25 0.02 0.00 0.00 175.55 174.70 3gqn s PRO 252 N 0.71 4.46 -0.59 -1.71 0.04 -1.26 -5.02 135.00 131.63 3gqn s PRO 252 Ca 0.55 1.47 0.05 0.00 0.04 0.00 0.00 61.00 63.11 3gqn s PRO 252 Cb -0.27 -2.79 0.18 0.00 0.04 0.00 0.00 34.50 31.65 3gqn s PRO 252 CO 0.30 0.13 0.45 0.66 0.04 0.00 0.00 177.00 178.58 3gqn n TYR 253 N 0.47 1.61 0.12 0.56 4.02 -1.26 -4.93 117.16 117.75 3gqn n TYR 253 Ca 0.02 -3.91 0.05 0.00 -0.01 0.00 0.00 57.90 54.06 3gqn n TYR 253 Cb 0.49 -0.28 0.23 0.00 -0.02 0.00 0.00 39.34 39.76 3gqn n TYR 253 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3gqn n LEU 254 N 2.22 3.32 0.00 7.72 4.77 -1.23 -4.95 117.00 128.86 3gqn n LEU 254 Ca 0.24 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3gqn n LEU 254 Cb 0.41 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3gqn n LEU 254 CO 0.20 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3gqn n GLY 255 N 0.71 -2.33 3.87 -0.72 0.00 0.60 -4.77 105.19 102.55 3gqn n GLY 255 Ca 0.16 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 3gqn n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqn s ASP 256 N -3.07 6.67 0.00 1.61 2.15 -1.26 -3.10 116.67 119.67 3gqn s ASP 256 Ca 0.00 1.07 0.00 0.00 0.43 0.00 0.00 52.55 54.05 3gqn s ASP 256 Cb 0.00 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3gqn s ASP 256 CO 0.00 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 3gqn n GLY 257 N -0.36 0.54 3.80 2.66 0.00 -1.26 -4.91 105.19 105.65 3gqn n GLY 257 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3gqn n GLY 257 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqn s THR 258 N -2.12 4.50 -0.20 2.61 -4.23 -1.26 -5.09 115.64 109.85 3gqn s THR 258 Ca 0.00 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3gqn s THR 258 Cb 0.00 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.60 3gqn s THR 258 CO 0.00 -0.07 -0.15 0.28 -0.54 0.00 0.00 174.62 174.14 3gqn s THR 259 N -1.69 1.94 0.42 3.99 -1.32 -1.26 -4.66 115.64 113.06 3gqn s THR 259 Ca 0.31 -1.08 -0.25 0.00 -1.21 0.00 0.00 61.69 59.45 3gqn s THR 259 Cb -0.10 -1.89 -0.08 0.00 -1.51 0.00 0.00 72.50 68.92 3gqn s THR 259 CO 0.23 0.32 1.27 0.00 -2.21 0.00 0.00 174.62 174.23 3gqn s ALA 260 N 1.29 3.18 0.60 11.08 0.00 -1.26 -5.01 121.76 131.64 3gqn s ALA 260 Ca 0.00 1.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 3gqn s ALA 260 Cb -0.15 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 3gqn s ALA 260 CO -0.10 -0.80 1.06 -1.25 0.00 0.00 0.00 175.76 174.67 3gqn s PRO 261 N -2.35 3.24 -0.84 0.00 0.04 -1.26 -4.35 135.00 129.48 3gqn s PRO 261 Ca 0.59 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 3gqn s PRO 261 Cb -0.36 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 3gqn s PRO 261 CO 0.46 -0.87 0.72 0.09 0.04 0.00 0.00 177.00 177.43 3gqn n ASN 262 N -2.10 -6.81 -4.87 6.66 3.02 -1.26 -4.15 115.26 105.74 3gqn n ASN 262 Ca 0.09 -0.43 -0.31 0.00 -0.03 0.00 0.00 54.58 53.90 3gqn n ASN 262 Cb 0.53 -4.36 -0.04 0.00 -0.61 0.00 0.00 39.78 35.29 3gqn n ASN 262 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gqn s PRO 263 N -3.88 3.82 0.52 3.52 0.04 -1.26 -1.25 135.00 136.51 3gqn s PRO 263 Ca 0.11 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 3gqn s PRO 263 Cb -0.03 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 3gqn s PRO 263 CO 0.79 0.09 1.10 -1.12 0.04 0.00 0.00 177.00 177.90 3gqn s SER 264 N -2.84 5.98 -0.15 6.66 0.01 -1.24 -4.40 113.70 117.72 3gqn s SER 264 Ca 0.51 2.10 -0.13 0.00 1.31 0.00 0.00 55.95 59.73 3gqn s SER 264 Cb -0.10 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.59 3gqn s SER 264 CO 0.26 -1.04 0.40 -0.70 0.41 0.00 0.00 173.24 172.57 3gqn s GLU 265 N -3.21 0.45 -0.65 12.44 2.12 0.18 -1.59 118.70 128.45 3gqn s GLU 265 Ca 0.70 0.58 -0.07 0.00 0.36 0.00 0.00 54.97 56.55 3gqn s GLU 265 Cb -0.22 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.37 3gqn s GLU 265 CO 0.25 -0.07 0.66 -1.71 -0.54 0.00 0.00 175.26 173.85 3gqn n ASN 266 N 3.06 -7.45 -4.47 -1.70 5.15 -1.07 -0.93 115.26 107.85 3gqn n ASN 266 Ca -0.15 0.01 -0.33 0.00 -0.60 0.00 0.00 54.58 53.52 3gqn n ASN 266 Cb 0.57 -4.81 -0.13 0.00 -0.53 0.00 0.00 39.78 34.88 3gqn n ASN 266 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gqn s ILE 267 N -2.81 3.02 -0.10 -1.44 -1.09 -0.15 -1.29 121.20 117.34 3gqn s ILE 267 Ca 0.09 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 3gqn s ILE 267 Cb -0.02 -2.18 0.02 0.00 -1.58 0.00 0.00 42.46 38.70 3gqn s ILE 267 CO 0.78 0.59 -0.08 0.26 -1.23 0.00 0.00 174.94 175.26 3gqn s TRP 268 N -0.73 1.36 -0.23 3.97 0.52 0.13 -1.34 118.94 122.62 3gqn s TRP 268 Ca 0.11 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.62 3gqn s TRP 268 Cb -0.11 -1.13 0.06 0.00 -1.15 0.00 0.00 33.47 31.14 3gqn s TRP 268 CO 0.00 -0.44 -0.04 0.42 0.02 0.00 0.00 176.95 176.91 3gqn s ILE 269 N 1.50 1.46 0.02 2.03 1.01 0.32 0.21 121.20 127.74 3gqn s ILE 269 Ca 0.01 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 59.51 3gqn s ILE 269 Cb -0.13 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3gqn s ILE 269 CO -0.05 -0.12 -0.13 -1.61 0.00 0.00 0.00 174.94 173.02 3gqn s GLU 270 N 1.42 0.97 -1.44 2.79 2.02 -0.27 -0.18 118.70 124.02 3gqn s GLU 270 Ca -0.05 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3gqn s GLU 270 Cb -0.19 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.09 3gqn s GLU 270 CO -0.06 0.25 0.00 0.09 0.02 0.00 0.00 175.26 175.55 3gqn n ASN 271 N 2.29 -5.66 -4.90 -0.19 4.13 -0.88 -1.58 115.26 108.47 3gqn n ASN 271 Ca -0.16 0.33 -0.28 0.00 1.68 0.00 0.00 54.58 56.15 3gqn n ASN 271 Cb 0.55 -4.36 -0.01 0.00 -1.54 0.00 0.00 39.78 34.42 3gqn n ASN 271 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gqn s GLU 273 N -4.31 1.35 -0.06 0.00 2.12 0.22 -1.11 118.70 116.91 3gqn s GLU 273 Ca 0.48 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 55.41 3gqn s GLU 273 Cb -0.10 -1.20 0.01 0.00 0.26 0.00 0.00 34.13 33.09 3gqn s GLU 273 CO 0.39 0.15 -0.14 0.00 -0.54 0.00 0.00 175.26 175.12 3gqn s ALA 274 N 0.19 1.31 0.16 6.30 0.00 -0.32 0.67 121.76 130.07 3gqn s ALA 274 Ca -0.05 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3gqn s ALA 274 Cb -0.10 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3gqn s ALA 274 CO 0.01 0.17 0.36 -0.08 0.00 0.00 0.00 175.76 176.22 3gqn s THR 275 N 0.44 0.07 -1.53 0.00 -1.32 -0.29 -0.80 115.64 112.20 3gqn s THR 275 Ca -0.11 -1.07 -0.08 0.00 -1.21 0.00 0.00 61.69 59.22 3gqn s THR 275 Cb -0.14 -1.60 0.07 0.00 -1.51 0.00 0.00 72.50 69.32 3gqn s THR 275 CO 0.03 -0.30 0.61 0.61 -2.21 0.00 0.00 174.62 173.36 3gqn n GLY 276 N -0.23 -0.33 3.98 6.08 0.00 -0.73 -2.97 105.19 110.99 3gqn n GLY 276 Ca -0.10 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3gqn n GLY 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gqn s PHE 277 N -3.65 3.18 -0.09 1.61 -0.71 -1.26 -0.93 117.98 116.12 3gqn s PHE 277 Ca 0.34 -0.07 -0.13 0.00 -1.04 0.00 0.00 56.93 56.03 3gqn s PHE 277 Cb -0.18 -2.04 -0.28 0.00 -1.21 0.00 0.00 43.02 39.30 3gqn s PHE 277 CO 0.90 -0.07 0.56 0.78 -1.34 0.00 0.00 175.22 176.05 3gqn h GLY 278 N 0.78 0.34 0.00 1.99 0.00 -0.76 0.23 103.07 105.65 3gqn h GLY 278 Ca -0.46 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.01 3gqn h GLY 278 CO 0.55 0.75 0.00 1.34 0.00 0.00 0.00 176.54 179.18 3gqn n ASP 279 N -3.77 0.00 -4.19 0.19 4.64 -0.45 -4.58 116.55 108.38 3gqn n ASP 279 Ca -0.26 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 52.90 3gqn n ASP 279 Cb 0.97 0.00 -0.15 0.00 -1.04 0.00 0.00 41.12 40.90 3gqn n ASP 279 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 3gqn s ASP 280 N 0.26 2.21 0.02 1.67 1.01 -1.26 -3.49 116.67 117.10 3gqn s ASP 280 Ca 0.00 -0.37 -0.14 0.00 0.71 0.00 0.00 52.55 52.75 3gqn s ASP 280 Cb 0.00 -0.23 -0.07 0.00 1.01 0.00 0.00 42.92 43.63 3gqn s ASP 280 CO 0.00 0.21 1.21 1.23 0.21 0.00 0.00 175.17 178.02 3gqn h GLY 281 N 5.51 -0.63 -5.65 0.21 0.00 -1.40 -2.97 103.07 98.13 3gqn h GLY 281 Ca -0.38 0.26 -0.56 0.00 0.00 0.00 0.00 47.33 46.65 3gqn h GLY 281 CO 0.47 -0.22 -0.83 -0.42 0.00 0.00 0.00 176.54 175.54 3gqn s ILE 282 N -4.07 1.37 -0.00 2.60 1.01 -0.88 -1.46 121.20 119.77 3gqn s ILE 282 Ca -0.07 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3gqn s ILE 282 Cb 0.01 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.27 3gqn s ILE 282 CO 0.22 0.41 0.25 0.28 0.00 0.00 0.00 174.94 176.09 3gqn s THR 283 N 0.50 0.07 0.09 2.92 -1.32 -0.44 -1.68 115.64 115.78 3gqn s THR 283 Ca -0.14 -0.57 0.08 0.00 -1.21 0.00 0.00 61.69 59.86 3gqn s THR 283 Cb -0.16 -0.57 -0.03 0.00 -1.51 0.00 0.00 72.50 70.23 3gqn s THR 283 CO 0.05 -0.31 -0.22 0.42 -2.21 0.00 0.00 174.62 172.34 3gqn s THR 284 N -1.42 1.80 -0.02 5.08 -4.23 -1.00 -0.71 115.64 115.13 3gqn s THR 284 Ca -0.14 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 3gqn s THR 284 Cb -0.06 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.18 3gqn s THR 284 CO 0.03 0.05 0.08 -1.00 -0.54 0.00 0.00 174.62 173.23 3gqn s HIS 285 N -1.04 -0.02 -1.47 3.99 3.76 0.19 -1.65 115.29 119.04 3gqn s HIS 285 Ca 0.08 0.07 -0.19 0.00 -0.15 0.00 0.00 55.06 54.87 3gqn s HIS 285 Cb -0.10 -0.01 0.19 0.00 1.11 0.00 0.00 32.58 33.77 3gqn s HIS 285 CO 0.04 -0.10 0.47 0.72 -0.85 0.00 0.00 174.74 175.01 3gqn n HIS 286 N 2.60 -1.06 -4.09 1.40 8.25 0.20 -3.70 115.22 118.83 3gqn n HIS 286 Ca -0.15 0.54 -0.10 0.00 -0.26 0.00 0.00 57.72 57.74 3gqn n HIS 286 Cb 0.58 -1.52 -0.11 0.00 1.12 0.00 0.00 29.99 30.06 3gqn n HIS 286 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3gqn s SER 287 N -2.81 0.74 0.33 0.41 0.01 -1.25 -4.10 113.70 107.04 3gqn s SER 287 Ca 0.65 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 57.17 3gqn s SER 287 Cb -0.38 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 65.89 3gqn s SER 287 CO 0.80 -0.41 0.00 0.00 0.41 0.00 0.00 173.24 174.04 3gqn s GLN 288 N -2.87 1.69 -0.61 12.44 -2.07 -0.62 -1.94 119.66 125.68 3gqn s GLN 288 Ca 0.00 -1.91 -0.09 0.00 -1.82 0.00 0.00 55.36 51.54 3gqn s GLN 288 Cb -0.01 -1.18 0.01 0.00 -1.09 0.00 0.00 33.01 30.75 3gqn s GLN 288 CO -0.04 -0.06 0.65 0.66 -1.32 0.00 0.00 175.29 175.18 3gqn n TYR 289 N -0.72 -3.10 -4.32 9.60 0.53 -0.90 -3.27 117.16 114.99 3gqn n TYR 289 Ca -0.04 1.22 -0.21 0.00 -1.02 0.00 0.00 57.90 57.85 3gqn n TYR 289 Cb 0.65 -3.86 -0.16 0.00 -1.03 0.00 0.00 39.34 34.95 3gqn n TYR 289 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3gqn s ILE 290 N -2.75 0.73 -0.28 -0.72 1.01 -0.98 -0.98 121.20 117.23 3gqn s ILE 290 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 3gqn s ILE 290 Cb -0.03 -0.70 0.03 0.00 0.01 0.00 0.00 42.46 41.77 3gqn s ILE 290 CO 0.78 0.26 -0.00 0.20 0.00 0.00 0.00 174.94 176.17 3gqn s ASN 291 N 0.68 4.72 -0.35 3.58 0.02 -0.45 -0.51 114.94 122.62 3gqn s ASN 291 Ca -0.11 -0.98 -0.10 0.00 -1.02 0.00 0.00 52.86 50.66 3gqn s ASN 291 Cb -0.13 -1.74 0.02 0.00 0.02 0.00 0.00 41.25 39.42 3gqn s ASN 291 CO 0.01 -0.19 0.17 -0.63 0.02 0.00 0.00 177.10 176.48 3gqn s ILE 292 N 1.34 4.40 -0.03 0.60 1.01 -0.16 -0.52 121.20 127.84 3gqn s ILE 292 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3gqn s ILE 292 Cb -0.18 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.87 3gqn s ILE 292 CO -0.02 -0.17 -0.11 -0.76 0.00 0.00 0.00 174.94 173.89 3gqn s LEU 293 N 1.53 1.79 -1.38 2.97 1.43 0.75 -1.21 118.68 124.56 3gqn s LEU 293 Ca 0.02 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 3gqn s LEU 293 Cb -0.19 -0.66 0.07 0.00 0.03 0.00 0.00 46.19 45.44 3gqn s LEU 293 CO 0.06 0.08 0.59 0.59 0.23 0.00 0.00 176.35 177.89 3gqn n ASN 294 N 3.33 -4.26 -4.86 2.29 3.02 -0.70 -2.07 115.26 112.01 3gqn n ASN 294 Ca -0.19 -0.45 -0.21 0.00 -0.03 0.00 0.00 54.58 53.70 3gqn n ASN 294 Cb 0.54 -3.49 0.07 0.00 -0.61 0.00 0.00 39.78 36.29 3gqn n ASN 294 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqn s TYR 296 N -2.87 -0.72 -0.16 0.00 5.04 -0.26 -1.32 117.35 117.05 3gqn s TYR 296 Ca 0.62 0.23 -0.06 0.00 -2.44 0.00 0.00 57.07 55.42 3gqn s TYR 296 Cb -0.07 -0.25 -0.04 0.00 0.35 0.00 0.00 41.96 41.95 3gqn s TYR 296 CO 0.41 -0.89 0.03 -1.12 -1.34 0.00 0.00 175.55 172.64 3gqn s SER 297 N 2.46 5.40 0.16 4.32 0.01 -0.74 -1.17 113.70 124.14 3gqn s SER 297 Ca 0.10 0.06 -0.20 0.00 1.31 0.00 0.00 55.95 57.21 3gqn s SER 297 Cb -0.14 -1.85 0.05 0.00 0.21 0.00 0.00 66.02 64.30 3gqn s SER 297 CO -0.27 0.22 0.54 -1.38 0.41 0.00 0.00 173.24 172.76 3gqn s HIS 298 N 0.09 -0.39 -0.87 2.43 -3.43 0.02 -2.32 115.29 110.82 3gqn s HIS 298 Ca 0.03 0.12 -0.05 0.00 -0.80 0.00 0.00 55.06 54.37 3gqn s HIS 298 Cb -0.13 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 3gqn s HIS 298 CO 0.01 -0.83 0.67 -0.25 -2.00 0.00 0.00 174.74 172.34 3gqn n ASP 299 N -0.34 -5.74 -4.74 7.38 8.00 -0.45 -3.56 116.55 117.10 3gqn n ASP 299 Ca -0.15 -0.74 -0.32 0.00 0.71 0.00 0.00 54.79 54.29 3gqn n ASP 299 Cb 0.64 -3.00 0.10 0.00 -0.02 0.00 0.00 41.12 38.85 3gqn n ASP 299 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3gqn s PRO 300 N -4.68 2.04 0.20 -0.24 0.04 -1.26 -1.77 135.00 129.32 3gqn s PRO 300 Ca 0.10 1.37 0.02 0.00 0.04 0.00 0.00 61.00 62.53 3gqn s PRO 300 Cb -0.04 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.76 3gqn s PRO 300 CO 0.85 -1.84 1.48 0.00 0.04 0.00 0.00 177.00 177.53 3gqn h ARG 301 N -1.00 0.30 0.00 4.56 3.08 -1.17 -3.45 114.38 116.71 3gqn h ARG 301 Ca -0.44 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.36 3gqn h ARG 301 Cb 1.25 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3gqn h ARG 301 CO 0.49 0.88 0.00 1.28 -1.07 0.00 0.00 179.97 181.56 3gqn n LEU 302 N -3.82 0.00 0.00 3.04 4.77 -1.26 -4.95 117.00 114.78 3gqn n LEU 302 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3gqn n LEU 302 Cb 0.69 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3gqn n LEU 302 CO 0.46 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.93 3gqn n THR 303 N 0.00 0.00 0.00 -5.08 -1.04 -1.26 -4.99 114.28 101.91 3gqn n THR 303 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gqn n THR 303 Cb 0.00 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 3gqn n THR 303 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gqn n ALA 304 N 0.00 0.00 -1.41 2.41 0.00 -1.26 -1.91 120.51 118.34 3gqn n ALA 304 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3gqn n ALA 304 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 3gqn n ALA 304 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gqn n ASN 305 N 0.00 3.53 -4.35 0.00 5.15 -1.26 -4.28 115.26 114.06 3gqn n ASN 305 Ca 0.00 -2.73 -0.46 0.00 -0.60 0.00 0.00 54.58 50.78 3gqn n ASN 305 Cb 0.00 -1.39 -0.02 0.00 -0.53 0.00 0.00 39.78 37.84 3gqn n ASN 305 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gqn s ASN 307 N 2.37 5.89 0.10 0.00 0.01 -1.23 -0.53 114.94 121.56 3gqn s ASN 307 Ca 0.21 0.29 -0.34 0.00 -0.71 0.00 0.00 52.86 52.31 3gqn s ASN 307 Cb -0.09 -1.87 -0.14 0.00 0.41 0.00 0.00 41.25 39.56 3gqn s ASN 307 CO -0.09 0.34 1.57 1.23 -1.51 0.00 0.00 177.10 178.64 3gqn h GLY 308 N 5.45 -1.09 -5.45 0.66 0.00 -1.18 -2.46 103.07 99.00 3gqn h GLY 308 Ca -0.50 0.59 -0.61 0.00 0.00 0.00 0.00 47.33 46.82 3gqn h GLY 308 CO 0.60 -0.29 -0.85 -1.36 0.00 0.00 0.00 176.54 174.64 3gqn s PHE 309 N -5.84 2.07 -0.22 5.60 0.40 -0.67 -2.08 117.98 117.24 3gqn s PHE 309 Ca -0.17 -0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 55.38 3gqn s PHE 309 Cb 0.06 -1.41 0.07 0.00 0.51 0.00 0.00 43.02 42.25 3gqn s PHE 309 CO 0.62 -0.32 0.02 -2.00 0.70 0.00 0.00 175.22 174.24 3gqn s GLU 310 N 0.35 0.93 -0.73 0.44 2.12 -0.68 -0.70 118.70 120.44 3gqn s GLU 310 Ca -0.14 -0.67 -0.20 0.00 0.36 0.00 0.00 54.97 54.32 3gqn s GLU 310 Cb -0.16 -2.24 0.10 0.00 0.26 0.00 0.00 34.13 32.10 3gqn s GLU 310 CO 0.06 -0.67 0.94 0.42 -0.54 0.00 0.00 175.26 175.47 3gqn s ILE 311 N 1.70 4.60 0.00 -3.70 -1.09 0.11 -2.38 121.20 120.44 3gqn s ILE 311 Ca -0.01 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 3gqn s ILE 311 Cb -0.18 -4.66 0.00 0.00 -1.58 0.00 0.00 42.46 36.04 3gqn s ILE 311 CO -0.10 -1.38 0.00 -0.67 -1.23 0.00 0.00 174.94 171.56 3gqn n ASP 312 N 6.93 0.44 -1.36 3.58 2.03 -0.66 -1.99 116.55 125.53 3gqn n ASP 312 Ca 0.03 -0.63 -0.19 0.00 0.52 0.00 0.00 54.79 54.52 3gqn n ASP 312 Cb 0.46 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 3gqn n ASP 312 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3gqn n ASP 313 N -1.62 0.27 0.00 1.67 8.00 -1.24 -1.85 116.55 121.78 3gqn n ASP 313 Ca 0.00 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3gqn n ASP 313 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3gqn n ASP 313 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqn n GLY 314 N 0.99 1.46 3.76 0.44 0.00 -0.01 0.60 105.19 112.43 3gqn n GLY 314 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3gqn n GLY 314 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqn s SER 315 N -3.14 5.78 0.14 1.61 0.01 -0.77 -3.74 113.70 113.59 3gqn s SER 315 Ca 0.00 2.47 -0.19 0.00 1.31 0.00 0.00 55.95 59.54 3gqn s SER 315 Cb 0.00 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.67 3gqn s SER 315 CO 0.00 -1.20 0.50 0.00 0.41 0.00 0.00 173.24 172.95 3gqn s ARG 316 N -2.82 1.17 -1.17 12.44 3.03 -0.82 -1.83 118.95 128.95 3gqn s ARG 316 Ca 0.67 -0.60 -0.14 0.00 2.03 0.00 0.00 55.73 57.70 3gqn s ARG 316 Cb -0.33 0.53 -0.02 0.00 -1.03 0.00 0.00 34.95 34.10 3gqn s ARG 316 CO 0.39 -0.49 0.77 0.72 -1.13 0.00 0.00 175.30 175.56 3gqn n HIS 317 N -0.30 -1.97 -4.81 5.89 8.25 -0.85 -3.30 115.22 118.14 3gqn n HIS 317 Ca -0.16 0.60 -0.33 0.00 -0.26 0.00 0.00 57.72 57.56 3gqn n HIS 317 Cb 0.64 -3.72 -0.14 0.00 1.12 0.00 0.00 29.99 27.90 3gqn n HIS 317 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gqn s VAL 318 N -3.53 3.10 -0.17 1.59 1.01 -1.20 -2.11 120.40 119.09 3gqn s VAL 318 Ca 0.36 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3gqn s VAL 318 Cb -0.11 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3gqn s VAL 318 CO 0.84 0.55 -0.00 -0.69 0.00 0.00 0.00 175.10 175.79 3gqn s VAL 319 N -0.09 4.14 -0.17 2.92 1.01 0.33 -0.22 120.40 128.33 3gqn s VAL 319 Ca -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3gqn s VAL 319 Cb -0.14 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 3gqn s VAL 319 CO 0.04 0.47 -0.14 -0.76 0.00 0.00 0.00 175.10 174.71 3gqn s LEU 320 N 0.47 2.54 -0.05 3.92 1.02 -0.28 -0.99 118.68 125.32 3gqn s LEU 320 Ca -0.01 -0.46 -0.00 0.00 0.02 0.00 0.00 54.13 53.68 3gqn s LEU 320 Cb -0.14 -1.59 0.03 0.00 0.02 0.00 0.00 46.19 44.51 3gqn s LEU 320 CO 0.02 0.07 -0.01 -0.55 0.02 0.00 0.00 176.35 175.90 3gqn s SER 321 N 0.92 1.00 -1.69 2.29 0.15 -0.35 -0.24 113.70 115.78 3gqn s SER 321 Ca -0.03 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.54 3gqn s SER 321 Cb -0.15 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 3gqn s SER 321 CO -0.01 -0.13 0.16 0.59 1.20 0.00 0.00 173.24 175.05 3gqn n ASN 322 N 4.54 -5.84 -4.63 5.45 3.02 -0.20 -1.71 115.26 115.89 3gqn n ASN 322 Ca -0.18 -0.08 -0.27 0.00 -0.03 0.00 0.00 54.58 54.03 3gqn n ASN 322 Cb 0.50 -4.83 0.11 0.00 -0.61 0.00 0.00 39.78 34.96 3gqn n ASN 322 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3gqn s ASN 323 N -2.22 4.17 0.02 6.41 0.01 -1.26 -3.75 114.94 118.31 3gqn s ASN 323 Ca 0.08 0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.49 3gqn s ASN 323 Cb -0.04 -0.64 -0.01 0.00 0.41 0.00 0.00 41.25 40.96 3gqn s ASN 323 CO 0.10 -2.03 -0.04 -0.60 -1.51 0.00 0.00 177.10 173.02 3gqn s ARG 324 N -5.45 0.33 0.06 -0.60 3.52 -0.44 -2.11 118.95 114.27 3gqn s ARG 324 Ca 0.66 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 3gqn s ARG 324 Cb -0.07 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 3gqn s ARG 324 CO 0.47 0.01 -0.14 -1.54 -0.81 0.00 0.00 175.30 173.30 3gqn s SER 325 N -1.01 1.60 -0.11 -2.12 1.04 -0.58 -1.79 113.70 110.73 3gqn s SER 325 Ca -0.08 -0.56 -0.11 0.00 0.48 0.00 0.00 55.95 55.67 3gqn s SER 325 Cb -0.07 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.02 3gqn s SER 325 CO -0.00 -0.05 0.31 -0.75 0.98 0.00 0.00 173.24 173.73 3gqn s LYS 326 N -1.55 0.38 -1.93 4.02 2.20 -0.98 -0.20 119.74 121.68 3gqn s LYS 326 Ca -0.02 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 3gqn s LYS 326 Cb -0.09 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 3gqn s LYS 326 CO 0.02 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 3gqn n GLY 327 N 2.83 0.84 3.97 5.54 0.00 -0.94 -1.34 105.19 116.08 3gqn n GLY 327 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3gqn n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqn n TYR 329 N -1.99 0.00 -3.44 0.00 9.36 0.31 -2.25 117.16 119.15 3gqn n TYR 329 Ca 0.08 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.93 3gqn n TYR 329 Cb 0.63 -0.30 -0.07 0.00 -0.63 0.00 0.00 39.34 38.97 3gqn n TYR 329 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3gqn s GLY 330 N -1.25 2.28 0.03 2.98 0.00 -1.26 -0.14 107.32 109.96 3gqn s GLY 330 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 3gqn s GLY 330 CO 0.00 0.58 1.31 -1.33 0.00 0.00 0.00 173.10 173.66 3gqn h GLY 331 N 6.73 -0.78 -6.33 0.20 0.00 -1.40 -0.34 103.07 101.14 3gqn h GLY 331 Ca -0.41 0.29 -0.53 0.00 0.00 0.00 0.00 47.33 46.68 3gqn h GLY 331 CO 0.76 -0.28 -0.81 -0.42 0.00 0.00 0.00 176.54 175.78 3gqn s ILE 332 N -5.08 1.10 -0.17 2.60 1.01 -0.39 -1.68 121.20 118.60 3gqn s ILE 332 Ca -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3gqn s ILE 332 Cb 0.02 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 3gqn s ILE 332 CO 0.53 0.37 -0.09 -0.70 0.00 0.00 0.00 174.94 175.05 3gqn s GLU 333 N 1.30 3.42 -0.36 2.79 2.12 0.12 -1.62 118.70 126.47 3gqn s GLU 333 Ca -0.02 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 3gqn s GLU 333 Cb -0.14 -2.80 0.09 0.00 0.26 0.00 0.00 34.13 31.54 3gqn s GLU 333 CO -0.04 0.07 0.11 0.42 -0.54 0.00 0.00 175.26 175.28 3gqn s ILE 334 N 0.75 2.92 0.00 -3.70 1.01 -0.94 0.10 121.20 121.34 3gqn s ILE 334 Ca -0.04 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.64 3gqn s ILE 334 Cb -0.15 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3gqn s ILE 334 CO 0.02 -0.52 0.00 2.29 0.00 0.00 0.00 174.94 176.73 3gqn n LYS 335 N 4.51 0.00 -3.80 2.79 2.85 -0.84 -2.49 118.16 121.17 3gqn n LYS 335 Ca -0.03 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.15 3gqn n LYS 335 Cb 0.42 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.78 3gqn n LYS 335 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gqn s ALA 336 N -1.78 -1.30 0.48 0.58 0.00 -1.23 -2.98 121.76 115.54 3gqn s ALA 336 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3gqn s ALA 336 Cb 0.00 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.97 3gqn s ALA 336 CO 0.00 -1.00 0.70 -1.01 0.00 0.00 0.00 175.76 174.45 3gqn s HIS 337 N -3.86 3.09 0.20 0.00 0.09 -1.26 -2.63 115.29 110.92 3gqn s HIS 337 Ca 0.10 0.14 -0.19 0.00 -0.00 0.00 0.00 55.06 55.10 3gqn s HIS 337 Cb -0.05 -2.46 0.17 0.00 -0.00 0.00 0.00 32.58 30.24 3gqn s HIS 337 CO 0.04 -0.53 1.58 0.78 -0.00 0.00 0.00 174.74 176.61 3gqn h GLY 338 N 0.29 0.02 -1.65 -2.22 0.00 -1.73 -0.48 103.07 97.30 3gqn h GLY 338 Ca -0.45 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3gqn h GLY 338 CO 0.55 -0.22 0.00 1.22 0.00 0.00 0.00 176.54 178.09 3gqn n ASP 339 N -5.45 2.37 -4.40 0.19 8.00 -1.26 -4.50 116.55 111.49 3gqn n ASP 339 Ca 0.06 -2.23 -0.29 0.00 0.71 0.00 0.00 54.79 53.03 3gqn n ASP 339 Cb 0.37 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 40.90 3gqn n ASP 339 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gqn s ALA 340 N -1.66 2.43 0.29 2.24 0.00 -0.19 -0.29 121.76 124.57 3gqn s ALA 340 Ca 0.20 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 3gqn s ALA 340 Cb 0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 3gqn s ALA 340 CO 0.09 0.55 1.09 -1.25 0.00 0.00 0.00 175.76 176.24 3gqn s PRO 341 N -1.93 4.60 0.48 0.00 0.04 -1.18 -4.40 135.00 132.60 3gqn s PRO 341 Ca 0.14 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 3gqn s PRO 341 Cb -0.10 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 3gqn s PRO 341 CO 0.06 0.19 1.07 0.00 0.04 0.00 0.00 177.00 178.36 3gqn s ALA 342 N -1.21 2.88 0.20 8.56 0.00 -1.26 -0.83 121.76 130.10 3gqn s ALA 342 Ca 0.46 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.79 3gqn s ALA 342 Cb -0.31 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 3gqn s ALA 342 CO 0.40 -0.42 1.70 0.00 0.00 0.00 0.00 175.76 177.44 3gqn s ALA 343 N -1.85 3.91 0.12 0.00 0.00 -1.16 -4.52 121.76 118.27 3gqn s ALA 343 Ca 0.66 1.55 0.04 0.00 0.00 0.00 0.00 51.96 54.22 3gqn s ALA 343 Cb -0.20 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3gqn s ALA 343 CO 0.24 -0.91 -0.11 1.52 0.00 0.00 0.00 175.76 176.50 3gqn s TYR 344 N 1.22 1.21 -1.06 0.00 1.13 -0.76 -4.41 117.35 114.68 3gqn s TYR 344 Ca 0.74 -0.68 -0.15 0.00 -1.41 0.00 0.00 57.07 55.56 3gqn s TYR 344 Cb -0.49 -0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 39.72 3gqn s TYR 344 CO 0.32 0.06 0.79 -1.71 -2.51 0.00 0.00 175.55 172.50 3gqn n ASN 345 N 0.22 -5.74 -4.52 -0.18 5.15 -0.82 -2.81 115.26 106.56 3gqn n ASN 345 Ca -0.13 -0.88 -0.34 0.00 -0.60 0.00 0.00 54.58 52.63 3gqn n ASN 345 Cb 0.59 -3.69 -0.12 0.00 -0.53 0.00 0.00 39.78 36.03 3gqn n ASN 345 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gqn s ILE 346 N -3.37 3.73 -0.01 -1.44 -1.09 -0.62 -2.00 121.20 116.41 3gqn s ILE 346 Ca 0.39 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 3gqn s ILE 346 Cb -0.13 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 3gqn s ILE 346 CO 0.84 0.54 -0.08 -0.55 -1.23 0.00 0.00 174.94 174.46 3gqn s SER 347 N -0.09 4.53 -0.25 3.58 0.15 0.69 -2.04 113.70 120.27 3gqn s SER 347 Ca 0.01 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.52 3gqn s SER 347 Cb -0.13 -1.05 0.07 0.00 -1.71 0.00 0.00 66.02 63.20 3gqn s SER 347 CO 0.03 0.30 -0.03 -0.63 1.20 0.00 0.00 173.24 174.11 3gqn s ILE 348 N -0.95 1.47 -1.14 6.45 1.01 0.74 -1.13 121.20 127.66 3gqn s ILE 348 Ca 0.16 -1.29 -0.08 0.00 0.00 0.00 0.00 60.65 59.44 3gqn s ILE 348 Cb -0.11 -1.81 0.26 0.00 0.01 0.00 0.00 42.46 40.81 3gqn s ILE 348 CO 0.06 -0.20 1.39 -3.20 0.00 0.00 0.00 174.94 172.99 3gqn n ASN 349 N 4.68 5.76 0.00 3.58 5.15 0.67 -0.84 115.26 134.25 3gqn n ASN 349 Ca -0.10 -3.17 0.00 0.00 -0.60 0.00 0.00 54.58 50.71 3gqn n ASN 349 Cb 0.44 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 3gqn n ASN 349 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gqn n GLY 350 N 2.40 -2.14 3.48 8.20 0.00 -0.54 -2.87 105.19 113.71 3gqn n GLY 350 Ca 0.28 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 3gqn n GLY 350 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gqn s HIS 351 N -1.40 -0.59 -0.21 1.61 2.46 -1.14 -1.03 115.29 114.98 3gqn s HIS 351 Ca 0.00 1.21 -0.04 0.00 0.47 0.00 0.00 55.06 56.70 3gqn s HIS 351 Cb 0.00 0.29 -0.01 0.00 -0.13 0.00 0.00 32.58 32.73 3gqn s HIS 351 CO 0.00 -0.46 -0.04 1.41 -2.47 0.00 0.00 174.74 173.18 3gqn s MET 352 N -0.60 3.42 -0.28 2.88 1.75 -0.90 -1.05 119.30 124.53 3gqn s MET 352 Ca -0.07 -0.61 -0.02 0.00 -1.25 0.00 0.00 55.69 53.74 3gqn s MET 352 Cb -0.03 -2.99 0.04 0.00 2.84 0.00 0.00 34.83 34.70 3gqn s MET 352 CO 0.05 -0.12 -0.02 0.45 -0.65 0.00 0.00 175.02 174.74 3gqn s SER 353 N 1.28 4.69 -0.20 1.11 0.15 0.12 -1.53 113.70 119.33 3gqn s SER 353 Ca 0.03 -1.07 -0.06 0.00 0.70 0.00 0.00 55.95 55.56 3gqn s SER 353 Cb -0.14 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 3gqn s SER 353 CO -0.02 -0.20 0.02 -0.69 1.20 0.00 0.00 173.24 173.55 3gqn s VAL 354 N 1.30 4.19 -0.89 4.45 1.01 0.72 0.01 120.40 131.19 3gqn s VAL 354 Ca -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3gqn s VAL 354 Cb -0.18 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.35 3gqn s VAL 354 CO -0.02 0.43 0.23 -0.62 0.00 0.00 0.00 175.10 175.12 3gqn n GLU 355 N 4.08 -2.70 -2.02 2.72 1.02 0.48 -2.22 120.64 122.01 3gqn n GLU 355 Ca -0.17 0.32 -0.28 0.00 -0.02 0.00 0.00 57.16 57.01 3gqn n GLU 355 Cb 0.52 -4.93 0.13 0.00 -0.02 0.00 0.00 31.44 27.14 3gqn n GLU 355 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gqn s ASP 356 N -2.38 3.95 -0.13 1.62 1.01 -1.26 -3.66 116.67 115.81 3gqn s ASP 356 Ca 0.22 0.41 -0.08 0.00 0.71 0.00 0.00 52.55 53.81 3gqn s ASP 356 Cb -0.12 -0.73 -0.05 0.00 1.01 0.00 0.00 42.92 43.03 3gqn s ASP 356 CO 0.27 -2.20 -0.03 0.58 0.21 0.00 0.00 175.17 174.00 3gqn h VAL 357 N -1.19 0.17 -3.16 -1.27 2.07 -0.08 0.20 116.25 113.00 3gqn h VAL 357 Ca -0.44 -1.17 -0.63 0.00 0.82 0.00 0.00 66.70 65.28 3gqn h VAL 357 Cb 1.28 0.37 -0.41 0.00 -1.52 0.00 0.00 31.29 31.01 3gqn h VAL 357 CO 0.51 0.06 -0.56 -0.13 0.02 0.00 0.00 177.57 177.47 3gqn s ARG 358 N -2.01 2.41 0.26 1.57 0.52 0.44 -0.41 118.95 121.72 3gqn s ARG 358 Ca -0.11 -3.20 -0.00 0.00 -0.52 0.00 0.00 55.73 51.89 3gqn s ARG 358 Cb 0.01 -3.43 0.58 0.00 0.52 0.00 0.00 34.95 32.63 3gqn s ARG 358 CO 0.20 -1.25 1.32 0.43 0.02 0.00 0.00 175.30 176.02 3gqn n SER 359 N 2.21 -0.15 -3.75 0.23 7.64 -0.86 -3.05 113.62 115.90 3gqn n SER 359 Ca 0.17 1.43 -0.27 0.00 1.01 0.00 0.00 58.87 61.21 3gqn n SER 359 Cb 0.34 -0.50 -0.17 0.00 -1.01 0.00 0.00 64.21 62.88 3gqn n SER 359 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gqn s TYR 360 N -5.86 1.04 -0.26 1.43 1.51 -0.97 -1.26 117.35 112.99 3gqn s TYR 360 Ca -0.11 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.13 3gqn s TYR 360 Cb 0.24 -1.03 0.07 0.00 -0.11 0.00 0.00 41.96 41.14 3gqn s TYR 360 CO 0.66 -0.59 0.00 1.21 -1.11 0.00 0.00 175.55 175.72 3gqn s ASN 361 N 1.85 3.84 -0.09 2.29 3.04 -0.64 -0.84 114.94 124.40 3gqn s ASN 361 Ca -0.01 -1.32 0.03 0.00 0.04 0.00 0.00 52.86 51.60 3gqn s ASN 361 Cb -0.17 -1.07 -0.02 0.00 -1.54 0.00 0.00 41.25 38.45 3gqn s ASN 361 CO -0.08 -0.30 -0.17 -0.36 -3.04 0.00 0.00 177.10 173.16 3gqn s PHE 362 N 1.46 2.67 0.15 0.43 2.99 -0.06 -2.21 117.98 123.41 3gqn s PHE 362 Ca -0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 56.93 56.15 3gqn s PHE 362 Cb -0.18 -1.71 0.06 0.00 0.00 0.00 0.00 43.02 41.19 3gqn s PHE 362 CO -0.10 -0.10 0.97 -0.98 -0.00 0.00 0.00 175.22 175.01 3gqn s ARG 363 N -0.12 1.18 -0.33 0.44 1.70 -1.04 -0.25 118.95 120.54 3gqn s ARG 363 Ca -0.02 -0.65 -0.02 0.00 -0.47 0.00 0.00 55.73 54.56 3gqn s ARG 363 Cb -0.14 0.40 0.12 0.00 -0.57 0.00 0.00 34.95 34.76 3gqn s ARG 363 CO 0.04 -0.54 0.16 -1.58 -1.08 0.00 0.00 175.30 172.30 3gqn s HIS 364 N -3.25 0.80 0.17 5.89 2.46 -1.26 -3.55 115.29 116.55 3gqn s HIS 364 Ca 0.12 -1.38 -0.33 0.00 0.47 0.00 0.00 55.06 53.94 3gqn s HIS 364 Cb -0.01 -1.11 -0.14 0.00 -0.13 0.00 0.00 32.58 31.19 3gqn s HIS 364 CO 0.02 -0.83 1.53 -0.89 -2.47 0.00 0.00 174.74 172.10 3gqn n ILE 365 N 4.65 0.20 -0.46 0.89 5.41 -1.08 -1.73 119.36 127.24 3gqn n ILE 365 Ca 0.02 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3gqn n ILE 365 Cb 0.40 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 3gqn n ILE 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gqn n GLY 366 N 3.10 0.77 1.89 7.39 0.00 -1.26 -1.84 105.19 115.24 3gqn n GLY 366 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3gqn n GLY 366 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gqn n HIS 367 N -2.40 0.45 -0.05 1.61 8.25 -0.71 -4.57 115.22 117.80 3gqn n HIS 367 Ca 0.00 -1.09 -0.06 0.00 -0.26 0.00 0.00 57.72 56.31 3gqn n HIS 367 Cb 0.00 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 30.86 3gqn n HIS 367 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gqn n HIS 368 N 0.06 0.00 -1.70 4.41 -0.00 -1.26 -4.70 115.22 112.03 3gqn n HIS 368 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.48 3gqn n HIS 368 Cb 1.02 -0.46 0.05 0.00 -0.00 0.00 0.00 29.99 30.60 3gqn n HIS 368 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gqn s ALA 369 N -2.23 2.55 0.13 -1.41 0.00 -1.26 -4.45 121.76 115.08 3gqn s ALA 369 Ca -0.10 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 3gqn s ALA 369 Cb 0.03 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3gqn s ALA 369 CO 0.32 -1.22 1.70 0.00 0.00 0.00 0.00 175.76 176.56 3gqn h ALA 370 N -0.23 0.47 0.00 0.00 0.00 -1.93 -2.91 119.26 114.65 3gqn h ALA 370 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3gqn h ALA 370 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3gqn h ALA 370 CO 0.55 0.05 0.00 1.79 0.00 0.00 0.00 179.25 181.64 3gqn h THR 371 N 0.45 0.00 -4.10 0.00 1.35 -1.96 -3.46 112.91 105.19 3gqn h THR 371 Ca 0.12 -0.73 -0.54 0.00 -0.55 0.00 0.00 66.41 64.72 3gqn h THR 371 Cb 0.14 1.71 0.13 0.00 -1.73 0.00 0.00 68.15 68.40 3gqn h THR 371 CO -0.01 0.00 0.49 0.00 -0.25 0.00 0.00 175.52 175.75 3gqn s ALA 372 N -3.34 2.49 0.56 6.62 0.00 -1.10 -4.99 121.76 121.99 3gqn s ALA 372 Ca 0.05 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 3gqn s ALA 372 Cb 0.07 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3gqn s ALA 372 CO 0.60 -1.33 1.17 -1.25 0.00 0.00 0.00 175.76 174.95 3gqn s PRO 373 N -3.34 3.22 0.24 0.00 0.04 -1.26 -4.91 135.00 128.98 3gqn s PRO 373 Ca 0.79 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 3gqn s PRO 373 Cb -0.33 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 3gqn s PRO 373 CO 0.36 -0.98 1.07 -1.14 0.04 0.00 0.00 177.00 176.35 3gqn s GLN 374 N -3.27 4.66 0.30 4.56 0.74 -1.26 -4.60 119.66 120.79 3gqn s GLN 374 Ca 0.74 1.73 -0.30 0.00 0.05 0.00 0.00 55.36 57.58 3gqn s GLN 374 Cb -0.27 -3.23 -0.11 0.00 1.10 0.00 0.00 33.01 30.50 3gqn s GLN 374 CO 0.30 0.22 1.56 0.45 -0.55 0.00 0.00 175.29 177.26 3gqn s SER 375 N -0.67 6.40 0.00 6.67 0.15 -1.26 -4.91 113.70 120.08 3gqn s SER 375 Ca 0.46 2.93 0.16 0.00 0.70 0.00 0.00 55.95 60.20 3gqn s SER 375 Cb -0.30 -2.64 0.25 0.00 -1.71 0.00 0.00 66.02 61.62 3gqn s SER 375 CO 0.38 -0.88 1.15 1.33 1.20 0.00 0.00 173.24 176.42 3gqn n VAL 376 N 1.93 0.36 0.00 4.45 0.24 -1.26 -4.63 118.33 119.42 3gqn n VAL 376 Ca 0.07 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3gqn n VAL 376 Cb 0.38 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 3gqn n VAL 376 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gqn n SER 377 N 0.96 3.77 -4.57 -1.34 3.41 -1.26 -4.88 113.62 109.70 3gqn n SER 377 Ca 0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.41 3gqn n SER 377 Cb 0.45 0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 64.82 3gqn n SER 377 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqn s ALA 378 N -1.70 2.14 0.10 7.33 0.00 -1.26 -4.48 121.76 123.90 3gqn s ALA 378 Ca 0.00 -2.11 0.04 0.00 0.00 0.00 0.00 51.96 49.89 3gqn s ALA 378 Cb 0.00 -4.62 -0.04 0.00 0.00 0.00 0.00 23.12 18.47 3gqn s ALA 378 CO 0.00 -4.56 -0.11 0.15 0.00 0.00 0.00 175.76 171.25 3gqn s LYS 379 N 6.04 0.88 -0.25 0.00 3.01 -1.26 -0.77 119.74 127.40 3gqn s LYS 379 Ca 0.63 -1.19 -0.05 0.00 -1.01 0.00 0.00 55.97 54.35 3gqn s LYS 379 Cb -0.02 -0.58 0.02 0.00 -1.01 0.00 0.00 37.83 36.24 3gqn s LYS 379 CO 0.05 0.09 0.10 0.09 0.51 0.00 0.00 175.35 176.19 3gqn n ASN 380 N 0.49 -5.12 -3.97 2.83 4.13 0.12 -2.12 115.26 111.62 3gqn n ASN 380 Ca -0.15 1.37 -0.25 0.00 1.68 0.00 0.00 54.58 57.22 3gqn n ASN 380 Cb 0.58 -5.13 -0.17 0.00 -1.54 0.00 0.00 39.78 33.52 3gqn n ASN 380 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gqn s ILE 381 N -1.23 1.07 -0.17 2.41 1.01 -0.23 -1.58 121.20 122.48 3gqn s ILE 381 Ca -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3gqn s ILE 381 Cb 0.01 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.47 3gqn s ILE 381 CO 0.75 0.35 -0.20 -0.69 0.00 0.00 0.00 174.94 175.15 3gqn s VAL 382 N 1.08 2.08 -0.02 2.92 1.01 -0.87 0.39 120.40 126.99 3gqn s VAL 382 Ca -0.07 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3gqn s VAL 382 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3gqn s VAL 382 CO -0.01 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.53 3gqn s ALA 383 N 1.15 0.90 0.17 5.51 0.00 0.15 -0.19 121.76 129.46 3gqn s ALA 383 Ca 0.02 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.67 3gqn s ALA 383 Cb -0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 3gqn s ALA 383 CO -0.10 0.16 -0.12 -1.12 0.00 0.00 0.00 175.76 174.58 3gqn s SER 384 N 0.12 2.17 -1.61 0.00 0.01 -0.02 -0.50 113.70 113.87 3gqn s SER 384 Ca -0.02 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 3gqn s SER 384 Cb -0.08 -0.07 0.09 0.00 0.21 0.00 0.00 66.02 66.17 3gqn s SER 384 CO 0.00 -0.25 0.54 0.59 0.41 0.00 0.00 173.24 174.53 3gqn n ASN 385 N -0.26 -1.58 -4.69 2.44 3.02 -0.88 -1.47 115.26 111.83 3gqn n ASN 385 Ca -0.09 -1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 52.96 3gqn n ASN 385 Cb 0.60 -2.57 -0.03 0.00 -0.61 0.00 0.00 39.78 37.18 3gqn n ASN 385 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gqn s LEU 386 N -7.19 4.26 -0.19 3.41 1.43 -0.57 -2.89 118.68 116.94 3gqn s LEU 386 Ca 0.41 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 3gqn s LEU 386 Cb -0.23 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3gqn s LEU 386 CO 0.94 -0.39 -0.12 -0.69 0.23 0.00 0.00 176.35 176.32 3gqn s VAL 387 N 1.78 2.81 -0.22 -1.59 1.01 -0.21 -0.78 120.40 123.19 3gqn s VAL 387 Ca 0.47 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3gqn s VAL 387 Cb -0.19 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3gqn s VAL 387 CO 0.19 0.48 -0.09 -0.55 0.00 0.00 0.00 175.10 175.14 3gqn s SER 388 N 1.23 4.04 -0.15 3.32 0.15 0.06 0.13 113.70 122.50 3gqn s SER 388 Ca 0.03 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 55.98 3gqn s SER 388 Cb -0.14 -1.64 -0.02 0.00 -1.71 0.00 0.00 66.02 62.50 3gqn s SER 388 CO -0.05 -0.07 -0.08 -0.63 1.20 0.00 0.00 173.24 173.61 3gqn s ILE 389 N 1.36 3.46 -1.34 6.45 1.01 0.10 -0.99 121.20 131.25 3gqn s ILE 389 Ca 0.03 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 3gqn s ILE 389 Cb -0.15 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.85 3gqn s ILE 389 CO -0.06 0.51 0.44 0.54 0.00 0.00 0.00 174.94 176.36 3gqn n ARG 390 N 3.58 -0.98 -1.94 2.79 1.74 0.58 -0.38 116.66 122.04 3gqn n ARG 390 Ca -0.18 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 3gqn n ARG 390 Cb 0.53 -3.30 -0.03 0.00 -1.02 0.00 0.00 32.46 28.63 3gqn n ARG 390 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gqn s PRO 391 N -7.15 4.22 0.22 5.56 0.04 -1.26 -4.01 135.00 132.62 3gqn s PRO 391 Ca 0.27 2.36 -0.19 0.00 0.04 0.00 0.00 61.00 63.49 3gqn s PRO 391 Cb -0.14 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.30 3gqn s PRO 391 CO 0.96 -0.55 0.58 0.54 0.04 0.00 0.00 177.00 178.56 3gqn s ASN 392 N 0.85 -0.28 -0.41 6.66 2.20 0.06 -4.20 114.94 119.82 3gqn s ASN 392 Ca 0.66 -0.51 0.11 0.00 -0.94 0.00 0.00 52.86 52.19 3gqn s ASN 392 Cb -0.44 0.62 0.37 0.00 -2.00 0.00 0.00 41.25 39.81 3gqn s ASN 392 CO 0.36 -1.13 0.84 -3.20 -2.94 0.00 0.00 177.10 171.03 3gqn n ASN 393 N -0.38 1.93 0.02 3.54 2.85 -1.26 -3.20 115.26 118.75 3gqn n ASN 393 Ca -0.08 -3.14 -0.06 0.00 -0.11 0.00 0.00 54.58 51.19 3gqn n ASN 393 Cb 0.62 -0.58 0.14 0.00 1.24 0.00 0.00 39.78 41.19 3gqn n ASN 393 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3gqn h LYS 394 N 2.97 0.48 0.00 1.20 1.57 -1.95 -3.03 116.57 117.80 3gqn h LYS 394 Ca 0.08 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gqn h LYS 394 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3gqn h LYS 394 CO 0.59 0.80 0.00 0.54 -0.57 0.00 0.00 179.45 180.81 3gqn n ARG 395 N -4.03 0.08 -2.70 3.15 1.74 -1.26 -4.96 116.66 108.68 3gqn n ARG 395 Ca -0.02 0.07 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 3gqn n ARG 395 Cb 0.50 -1.59 0.03 0.00 -1.02 0.00 0.00 32.46 30.38 3gqn n ARG 395 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gqn n GLY 396 N 1.38 0.32 3.76 -0.13 0.00 -1.15 -5.01 105.19 104.37 3gqn n GLY 396 Ca 0.06 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3gqn n GLY 396 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqn s PHE 397 N -3.12 2.45 -1.35 1.61 0.40 -1.26 -3.62 117.98 113.10 3gqn s PHE 397 Ca 0.11 1.47 -0.01 0.00 -0.60 0.00 0.00 56.93 57.91 3gqn s PHE 397 Cb -0.05 -3.57 0.01 0.00 0.51 0.00 0.00 43.02 39.92 3gqn s PHE 397 CO 0.25 -2.30 0.64 1.04 0.70 0.00 0.00 175.22 175.54 3gqn n GLN 398 N -1.18 -4.49 -3.62 0.44 1.13 -0.80 -1.53 117.38 107.34 3gqn n GLN 398 Ca 0.11 0.56 -0.22 0.00 -1.94 0.00 0.00 57.00 55.52 3gqn n GLN 398 Cb 0.48 -5.02 0.06 0.00 0.11 0.00 0.00 30.24 25.87 3gqn n GLN 398 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3gqn n ASP 399 N -3.02 -2.99 -3.88 1.08 8.00 -1.26 -2.64 116.55 111.84 3gqn n ASP 399 Ca -0.28 -0.69 -0.26 0.00 0.71 0.00 0.00 54.79 54.27 3gqn n ASP 399 Cb 0.67 -4.60 0.01 0.00 -0.02 0.00 0.00 41.12 37.17 3gqn n ASP 399 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gqn n ASN 400 N -3.04 -1.74 -4.64 -2.24 3.02 -0.58 -4.94 115.26 101.09 3gqn n ASN 400 Ca -0.19 -0.90 -0.43 0.00 -0.03 0.00 0.00 54.58 53.03 3gqn n ASN 400 Cb 0.63 -3.55 -0.01 0.00 -0.61 0.00 0.00 39.78 36.25 3gqn n ASN 400 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqn n ALA 401 N -4.41 0.48 -1.77 5.41 0.00 -0.88 -4.93 120.51 114.41 3gqn n ALA 401 Ca -0.20 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 3gqn n ALA 401 Cb 0.63 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 3gqn n ALA 401 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gqn s THR 402 N -1.09 2.78 0.59 0.00 -4.23 -1.26 -4.80 115.64 107.63 3gqn s THR 402 Ca 0.58 0.75 -0.18 0.00 -1.18 0.00 0.00 61.69 61.66 3gqn s THR 402 Cb -0.63 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 3gqn s THR 402 CO 0.61 0.15 1.15 -2.84 -0.54 0.00 0.00 174.62 173.15 3gqn s PRO 403 N -1.93 3.06 -0.01 3.99 0.02 -1.26 -4.83 135.00 134.04 3gqn s PRO 403 Ca 0.51 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 3gqn s PRO 403 Cb -0.38 -1.96 -0.00 0.00 0.02 0.00 0.00 34.50 32.18 3gqn s PRO 403 CO 0.50 -1.08 0.08 1.03 -0.33 0.00 0.00 177.00 177.20 3gqn s ARG 404 N -3.53 0.30 -0.01 5.54 1.81 0.45 -4.62 118.95 118.89 3gqn s ARG 404 Ca 0.72 -0.24 -0.20 0.00 -1.72 0.00 0.00 55.73 54.30 3gqn s ARG 404 Cb -0.25 0.12 -0.26 0.00 -0.45 0.00 0.00 34.95 34.11 3gqn s ARG 404 CO 0.33 -0.06 1.03 0.28 -0.68 0.00 0.00 175.30 176.20 3gqn h VAL 405 N 4.64 1.45 -3.07 3.52 2.07 -1.25 -2.30 116.25 121.31 3gqn h VAL 405 Ca -0.29 -2.25 -0.16 0.00 0.82 0.00 0.00 66.70 64.82 3gqn h VAL 405 Cb 1.20 2.80 -0.26 0.00 -1.52 0.00 0.00 31.29 33.51 3gqn h VAL 405 CO 0.42 0.65 -0.41 -0.22 0.02 0.00 0.00 177.57 178.03 3gqn s LEU 406 N -8.16 0.86 -0.05 2.57 2.96 -1.20 -2.28 118.68 113.38 3gqn s LEU 406 Ca -0.13 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 3gqn s LEU 406 Cb 0.03 0.90 0.03 0.00 0.50 0.00 0.00 46.19 47.64 3gqn s LEU 406 CO 0.83 -0.11 0.00 0.00 -1.32 0.00 0.00 176.35 175.76 3gqn s ALA 407 N 0.35 0.48 -0.12 5.97 0.00 -0.02 -1.89 121.76 126.52 3gqn s ALA 407 Ca -0.02 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3gqn s ALA 407 Cb -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3gqn s ALA 407 CO -0.01 -0.25 -0.22 0.08 0.00 0.00 0.00 175.76 175.36 3gqn s VAL 408 N 1.48 2.17 0.02 0.00 1.01 -0.48 -0.88 120.40 123.72 3gqn s VAL 408 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3gqn s VAL 408 Cb -0.13 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 3gqn s VAL 408 CO -0.03 0.55 -0.05 -0.44 0.00 0.00 0.00 175.10 175.13 3gqn s SER 409 N 0.58 0.57 0.00 3.32 0.01 0.66 -0.70 113.70 118.15 3gqn s SER 409 Ca -0.12 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.74 3gqn s SER 409 Cb -0.17 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.09 3gqn s SER 409 CO 0.03 -0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.52 3gqn n ALA 410 N 1.92 0.00 -1.77 1.44 0.00 0.37 -3.76 120.51 118.72 3gqn n ALA 410 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.86 3gqn n ALA 410 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 3gqn n ALA 410 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gqn s TYR 411 N 0.00 2.93 -0.11 0.00 1.51 -1.26 -4.50 117.35 115.93 3gqn s TYR 411 Ca 0.00 1.52 -0.03 0.00 -1.01 0.00 0.00 57.07 57.55 3gqn s TYR 411 Cb 0.00 -3.46 -0.03 0.00 -0.11 0.00 0.00 41.96 38.36 3gqn s TYR 411 CO 0.00 -1.58 -0.00 0.71 -1.11 0.00 0.00 175.55 173.57 3gqn s TYR 412 N -1.42 3.13 -0.30 2.71 1.51 0.05 -1.55 117.35 121.48 3gqn s TYR 412 Ca 0.60 0.09 -0.00 0.00 -1.01 0.00 0.00 57.07 56.74 3gqn s TYR 412 Cb -0.32 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3gqn s TYR 412 CO 0.40 0.34 0.28 0.41 -1.11 0.00 0.00 175.55 175.87 3gqn n GLY 413 N 2.52 -0.63 3.31 0.71 0.00 -1.01 -0.70 105.19 109.38 3gqn n GLY 413 Ca -0.18 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3gqn n GLY 413 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqn s VAL 414 N -3.01 3.38 -0.21 1.61 1.01 -0.14 -1.07 120.40 121.97 3gqn s VAL 414 Ca 0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3gqn s VAL 414 Cb -0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3gqn s VAL 414 CO 0.30 0.40 -0.02 -0.69 0.00 0.00 0.00 175.10 175.09 3gqn s VAL 415 N 1.47 3.71 -0.19 2.92 1.01 0.16 -0.10 120.40 129.38 3gqn s VAL 415 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3gqn s VAL 415 Cb -0.14 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3gqn s VAL 415 CO -0.03 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.71 3gqn s ILE 416 N 1.18 1.92 -0.25 2.22 -1.09 0.42 0.30 121.20 125.90 3gqn s ILE 416 Ca 0.03 -1.02 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 3gqn s ILE 416 Cb -0.15 -1.84 0.05 0.00 -1.58 0.00 0.00 42.46 38.95 3gqn s ILE 416 CO 0.00 0.36 -0.11 0.20 -1.23 0.00 0.00 174.94 174.16 3gqn s ASN 417 N 1.31 4.25 -0.02 3.58 -0.87 0.35 -0.79 114.94 122.75 3gqn s ASN 417 Ca 0.02 -1.22 -0.00 0.00 -1.57 0.00 0.00 52.86 50.09 3gqn s ASN 417 Cb -0.15 -1.56 0.00 0.00 -0.02 0.00 0.00 41.25 39.52 3gqn s ASN 417 CO -0.10 -0.16 0.01 0.61 -2.57 0.00 0.00 177.10 174.88 3gqn n GLY 418 N 4.50 -2.98 3.04 0.66 0.00 0.93 -2.09 105.19 109.24 3gqn n GLY 418 Ca -0.15 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3gqn n GLY 418 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gqn s LEU 419 N -0.10 1.66 -0.18 0.99 2.96 -0.31 -1.52 118.68 122.19 3gqn s LEU 419 Ca -0.01 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3gqn s LEU 419 Cb 0.00 -0.95 0.02 0.00 0.50 0.00 0.00 46.19 45.76 3gqn s LEU 419 CO 0.06 0.03 -0.19 0.28 -1.32 0.00 0.00 176.35 175.20 3gqn s THR 420 N 0.82 2.15 -0.17 3.68 -1.32 0.04 -0.35 115.64 120.49 3gqn s THR 420 Ca -0.11 -0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 59.41 3gqn s THR 420 Cb -0.15 -1.91 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 3gqn s THR 420 CO 0.02 0.53 0.01 -0.83 -2.21 0.00 0.00 174.62 172.14 3gqn s GLY 421 N 1.29 1.80 -0.02 6.08 0.00 -0.04 -0.76 107.32 115.67 3gqn s GLY 421 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3gqn s GLY 421 CO -0.12 0.04 -0.08 -0.47 0.00 0.00 0.00 173.10 172.47 3gqn s TYR 422 N 0.48 0.84 -0.01 1.90 5.04 -0.16 -1.48 117.35 123.96 3gqn s TYR 422 Ca -0.00 -0.20 -0.05 0.00 -2.44 0.00 0.00 57.07 54.38 3gqn s TYR 422 Cb -0.14 -0.60 -0.00 0.00 0.35 0.00 0.00 41.96 41.58 3gqn s TYR 422 CO 0.02 -0.08 0.10 -0.08 -1.34 0.00 0.00 175.55 174.16 3gqn s THR 423 N 0.14 0.07 -0.71 4.34 -1.32 -0.98 -0.31 115.64 116.87 3gqn s THR 423 Ca -0.02 -0.55 0.19 0.00 -1.21 0.00 0.00 61.69 60.10 3gqn s THR 423 Cb -0.07 -0.32 -0.23 0.00 -1.51 0.00 0.00 72.50 70.36 3gqn s THR 423 CO 0.00 -0.30 0.73 -0.90 -2.21 0.00 0.00 174.62 171.94 3gqn n ASP 424 N 1.90 0.80 -4.07 8.08 5.68 -1.26 -4.29 116.55 123.40 3gqn n ASP 424 Ca -0.20 -0.73 -0.33 0.00 -0.50 0.00 0.00 54.79 53.03 3gqn n ASP 424 Cb 0.56 1.21 -0.14 0.00 -1.14 0.00 0.00 41.12 41.61 3gqn n ASP 424 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gqn s ASP 425 N -3.16 4.82 0.28 -1.12 -1.08 -1.26 -4.99 116.67 110.16 3gqn s ASP 425 Ca 0.04 -1.84 0.23 0.00 -0.52 0.00 0.00 52.55 50.46 3gqn s ASP 425 Cb 0.14 -1.67 1.03 0.00 -1.46 0.00 0.00 42.92 40.97 3gqn s ASP 425 CO 0.80 -0.36 1.70 -2.65 0.52 0.00 0.00 175.17 175.18 3gqn n PRO 426 N 4.42 0.18 0.09 4.34 -0.02 -1.26 -3.04 135.00 139.70 3gqn n PRO 426 Ca -0.04 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3gqn n PRO 426 Cb 0.42 -1.90 0.24 0.00 -0.02 0.00 0.00 33.50 32.25 3gqn n PRO 426 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3gqn h ASN 427 N 0.00 0.00 -0.46 2.55 2.35 -1.94 -3.34 115.58 114.74 3gqn h ASN 427 Ca 0.00 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.50 3gqn h ASN 427 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3gqn h ASN 427 CO 0.00 0.06 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.54 3gqn h LEU 428 N 0.00 1.01 -8.18 1.61 3.38 -1.85 -3.42 115.31 107.86 3gqn h LEU 428 Ca 0.00 -0.39 -0.63 0.00 0.09 0.00 0.00 57.88 56.95 3gqn h LEU 428 Cb 0.77 -0.28 -0.34 0.00 0.09 0.00 0.00 40.66 40.90 3gqn h LEU 428 CO 0.00 1.18 -0.86 -0.22 0.09 0.00 0.00 178.44 178.64 3gqn s LEU 429 N -9.05 1.94 0.00 1.67 0.20 -1.25 -4.53 118.68 107.66 3gqn s LEU 429 Ca -0.11 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.21 3gqn s LEU 429 Cb 0.12 -1.25 0.00 0.00 -0.43 0.00 0.00 46.19 44.63 3gqn s LEU 429 CO 0.87 0.09 0.00 0.41 -0.29 0.00 0.00 176.35 177.43 3gqn n THR 430 N 3.83 0.00 0.00 3.68 -1.04 -1.26 -4.08 114.28 115.41 3gqn n THR 430 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3gqn n THR 430 Cb 0.52 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 3gqn n THR 430 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gqn n GLU 431 N -0.90 0.00 -3.79 -2.82 2.13 -1.26 -1.52 120.64 112.48 3gqn n GLU 431 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 3gqn n GLU 431 Cb 0.12 -0.15 -0.17 0.00 0.27 0.00 0.00 31.44 31.51 3gqn n GLU 431 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3gqn s THR 432 N 0.00 0.03 -0.02 6.31 2.01 -1.26 -1.88 115.64 120.84 3gqn s THR 432 Ca 0.00 0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.98 3gqn s THR 432 Cb 0.00 -0.19 -0.19 0.00 0.01 0.00 0.00 72.50 72.13 3gqn s THR 432 CO 0.00 0.14 1.23 0.58 -0.69 0.00 0.00 174.62 175.88 3gqn h VAL 433 N 6.32 1.42 -3.80 3.82 2.07 -1.23 -3.42 116.25 121.43 3gqn h VAL 433 Ca -0.35 -1.37 -0.45 0.00 0.82 0.00 0.00 66.70 65.35 3gqn h VAL 433 Cb 1.12 2.24 -0.31 0.00 -1.52 0.00 0.00 31.29 32.82 3gqn h VAL 433 CO 0.38 0.37 -0.80 -0.69 0.02 0.00 0.00 177.57 176.86 3gqn s VAL 434 N -3.99 0.90 -0.04 2.57 1.01 0.59 -0.82 120.40 120.61 3gqn s VAL 434 Ca -0.16 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3gqn s VAL 434 Cb 0.02 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.62 3gqn s VAL 434 CO 0.71 0.28 0.12 -0.94 0.00 0.00 0.00 175.10 175.26 3gqn s SER 435 N 0.21 -0.11 -0.15 3.32 1.04 -0.79 -0.51 113.70 116.70 3gqn s SER 435 Ca -0.04 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3gqn s SER 435 Cb -0.10 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 3gqn s SER 435 CO 0.01 -0.05 -0.15 -0.69 0.98 0.00 0.00 173.24 173.33 3gqn s VAL 436 N 0.22 2.65 0.00 5.02 1.01 -0.77 -1.38 120.40 127.14 3gqn s VAL 436 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3gqn s VAL 436 Cb -0.02 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3gqn s VAL 436 CO -0.01 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.61 3gqn n GLN 437 N 4.04 0.00 -3.82 2.72 10.64 0.12 -2.01 117.38 129.06 3gqn n GLN 437 Ca -0.19 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.67 3gqn n GLN 437 Cb 0.52 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.91 3gqn n GLN 437 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3gqn n PHE 438 N 0.00 -1.37 -1.01 2.61 0.99 -1.13 -0.94 117.46 116.60 3gqn n PHE 438 Ca 0.00 0.34 -0.00 0.00 -0.00 0.00 0.00 57.45 57.78 3gqn n PHE 438 Cb 0.00 -2.26 -0.00 0.00 -1.00 0.00 0.00 39.48 36.22 3gqn n PHE 438 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3gqn n ARG 439 N -3.40 -1.01 -2.08 -1.08 1.74 0.22 -0.48 116.66 110.58 3gqn n ARG 439 Ca -0.17 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 3gqn n ARG 439 Cb 0.51 -4.05 -0.02 0.00 -1.02 0.00 0.00 32.46 27.89 3gqn n ARG 439 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqn s ALA 440 N -1.52 3.51 0.11 7.54 0.00 -0.12 -4.54 121.76 126.74 3gqn s ALA 440 Ca 0.00 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.28 3gqn s ALA 440 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3gqn s ALA 440 CO 0.00 -0.69 -0.08 1.03 0.00 0.00 0.00 175.76 176.02 3gqn s ARG 441 N -1.73 0.88 -0.89 0.00 1.81 -0.59 -1.73 118.95 116.70 3gqn s ARG 441 Ca 0.50 -1.33 -0.05 0.00 -1.72 0.00 0.00 55.73 53.13 3gqn s ARG 441 Cb -0.41 -0.33 -0.01 0.00 -0.45 0.00 0.00 34.95 33.75 3gqn s ARG 441 CO 0.53 0.01 0.74 0.09 -0.68 0.00 0.00 175.30 176.00 3gqn n ASN 442 N 0.02 -6.65 -4.32 0.23 3.02 -0.59 -2.44 115.26 104.53 3gqn n ASN 442 Ca -0.12 -0.52 -0.32 0.00 -0.03 0.00 0.00 54.58 53.59 3gqn n ASN 442 Cb 0.60 -4.34 -0.15 0.00 -0.61 0.00 0.00 39.78 35.28 3gqn n ASN 442 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqn s SER 444 N 0.14 3.97 -0.36 0.00 0.01 0.86 0.33 113.70 118.65 3gqn s SER 444 Ca -0.10 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.10 3gqn s SER 444 Cb -0.16 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.53 3gqn s SER 444 CO 0.06 -0.10 0.18 -0.76 0.41 0.00 0.00 173.24 173.02 3gqn s LEU 445 N 1.24 4.54 -0.08 2.44 1.43 0.17 -0.44 118.68 127.99 3gqn s LEU 445 Ca -0.01 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3gqn s LEU 445 Cb -0.16 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.08 3gqn s LEU 445 CO -0.07 -0.34 -0.11 0.21 0.23 0.00 0.00 176.35 176.27 3gqn s ASN 446 N 1.54 1.87 -0.30 2.29 3.04 0.03 -0.84 114.94 122.57 3gqn s ASN 446 Ca 0.02 -0.30 -0.00 0.00 0.04 0.00 0.00 52.86 52.62 3gqn s ASN 446 Cb -0.19 -0.82 -0.01 0.00 -1.54 0.00 0.00 41.25 38.69 3gqn s ASN 446 CO 0.06 -0.01 0.28 0.61 -3.04 0.00 0.00 177.10 175.00 3gqn n GLY 447 N 4.15 -0.50 3.31 1.21 0.00 -0.82 -0.05 105.19 112.49 3gqn n GLY 447 Ca -0.20 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3gqn n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqn s VAL 448 N -3.03 2.77 -0.26 1.61 1.01 -0.82 -1.16 120.40 120.52 3gqn s VAL 448 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3gqn s VAL 448 Cb -0.00 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.27 3gqn s VAL 448 CO 0.28 0.53 -0.08 -0.69 0.00 0.00 0.00 175.10 175.14 3gqn s VAL 449 N 0.47 2.52 -0.20 2.92 1.01 0.53 0.03 120.40 127.68 3gqn s VAL 449 Ca -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 3gqn s VAL 449 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3gqn s VAL 449 CO 0.05 0.05 -0.06 -0.76 0.00 0.00 0.00 175.10 174.37 3gqn s LEU 450 N 1.20 2.85 0.03 3.92 1.43 -0.84 -0.86 118.68 126.41 3gqn s LEU 450 Ca -0.05 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3gqn s LEU 450 Cb -0.19 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3gqn s LEU 450 CO -0.05 0.02 -0.09 0.42 0.23 0.00 0.00 176.35 176.88 3gqn s THR 451 N 1.25 0.66 0.00 5.49 -4.23 -0.55 -0.74 115.64 117.52 3gqn s THR 451 Ca 0.03 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3gqn s THR 451 Cb -0.14 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.04 3gqn s THR 451 CO -0.02 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3gqn n GLY 452 N 1.85 1.04 2.24 3.99 0.00 -0.72 -2.33 105.19 111.26 3gqn n GLY 452 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3gqn n GLY 452 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gqn n PHE 453 N -2.00 1.16 1.20 1.61 3.01 -1.02 -4.27 117.46 117.15 3gqn n PHE 453 Ca 0.00 -2.06 0.01 0.00 1.01 0.00 0.00 57.45 56.40 3gqn n PHE 453 Cb 0.00 -1.74 0.03 0.00 -0.01 0.00 0.00 39.48 37.76 3gqn n PHE 453 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3gqn n SER 454 N 2.20 0.97 -0.01 4.37 3.41 -0.44 -1.86 113.62 122.27 3gqn n SER 454 Ca 0.54 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 3gqn n SER 454 Cb 0.62 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3gqn n SER 454 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gqn n ASN 455 N -0.09 0.21 -4.90 4.04 2.85 -1.26 -2.83 115.26 113.27 3gqn n ASN 455 Ca 0.02 -1.12 -0.30 0.00 -0.11 0.00 0.00 54.58 53.07 3gqn n ASN 455 Cb 0.22 -0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.20 3gqn n ASN 455 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3gqn s SER 456 N -0.13 6.48 0.06 1.20 1.04 -1.15 -4.57 113.70 116.64 3gqn s SER 456 Ca 0.00 0.67 -0.17 0.00 0.48 0.00 0.00 55.95 56.94 3gqn s SER 456 Cb 0.00 -2.13 -0.15 0.00 0.10 0.00 0.00 66.02 63.84 3gqn s SER 456 CO 0.00 -0.09 1.29 -0.08 0.98 0.00 0.00 173.24 175.34 3gqn h GLU 457 N 2.19 0.57 -5.12 4.02 4.57 -0.53 -1.77 114.58 118.51 3gqn h GLU 457 Ca -0.47 -0.41 -0.51 0.00 -1.18 0.00 0.00 59.36 56.79 3gqn h GLU 457 Cb 1.18 0.07 -0.31 0.00 -0.16 0.00 0.00 28.75 29.53 3gqn h GLU 457 CO 0.69 1.03 -0.82 -0.80 -1.18 0.00 0.00 179.01 177.93 3gqn s ASN 458 N -6.63 1.80 0.00 1.04 0.01 -1.07 -0.15 114.94 109.94 3gqn s ASN 458 Ca -0.13 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 3gqn s ASN 458 Cb 0.07 -0.43 0.00 0.00 0.41 0.00 0.00 41.25 41.29 3gqn s ASN 458 CO 0.83 0.13 0.23 0.61 -1.51 0.00 0.00 177.10 177.39 3gqn n GLY 459 N 3.10 -0.29 3.49 0.66 0.00 -0.65 -1.71 105.19 109.80 3gqn n GLY 459 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3gqn n GLY 459 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqn s ILE 460 N -0.68 3.89 -0.16 -0.61 1.01 0.21 -0.30 121.20 124.57 3gqn s ILE 460 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 3gqn s ILE 460 Cb 0.00 -2.71 0.05 0.00 0.01 0.00 0.00 42.46 39.81 3gqn s ILE 460 CO 0.00 0.49 0.00 -0.47 0.00 0.00 0.00 174.94 174.96 3gqn s TYR 461 N 0.40 1.14 -0.50 3.97 5.04 0.33 -0.18 117.35 127.54 3gqn s TYR 461 Ca -0.04 -0.76 -0.21 0.00 -2.44 0.00 0.00 57.07 53.62 3gqn s TYR 461 Cb -0.14 -1.06 0.05 0.00 0.35 0.00 0.00 41.96 41.16 3gqn s TYR 461 CO 0.03 -0.55 0.73 0.08 -1.34 0.00 0.00 175.55 174.50 3gqn s VAL 462 N 1.82 4.71 0.12 3.14 1.01 0.21 -1.85 120.40 129.56 3gqn s VAL 462 Ca 0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3gqn s VAL 462 Cb -0.15 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 3gqn s VAL 462 CO -0.07 -0.86 1.17 -0.63 0.00 0.00 0.00 175.10 174.71 3gqn s ILE 463 N 3.09 3.88 0.00 2.22 1.01 -0.85 -1.00 121.20 129.55 3gqn s ILE 463 Ca 0.22 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.34 3gqn s ILE 463 Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3gqn s ILE 463 CO 0.16 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3gqn n GLY 464 N 2.62 1.49 5.60 6.18 0.00 -1.26 -0.82 105.19 119.00 3gqn n GLY 464 Ca 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3gqn n GLY 464 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqn n GLY 465 N 5.00 -1.13 0.14 -0.02 0.00 -1.05 -3.05 105.19 105.08 3gqn n GLY 465 Ca 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 3gqn n GLY 465 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gqn h SER 466 N 2.35 0.13 -0.10 1.61 0.87 -1.97 -3.31 113.55 113.13 3gqn h SER 466 Ca 0.00 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 3gqn h SER 466 Cb 0.00 -0.04 -0.22 0.00 -0.44 0.00 0.00 62.40 61.70 3gqn h SER 466 CO 0.00 0.80 -0.79 -2.11 -0.53 0.00 0.00 176.83 174.20 3gqn n ARG 467 N -3.75 1.15 -1.50 2.24 0.00 -1.26 -4.80 116.66 108.75 3gqn n ARG 467 Ca -0.02 -2.89 -0.30 0.00 -0.00 0.00 0.00 57.85 54.65 3gqn n ARG 467 Cb 0.69 -1.04 0.21 0.00 -0.00 0.00 0.00 32.46 32.32 3gqn n ARG 467 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3gqn s GLY 468 N -2.83 1.67 0.45 2.89 0.00 -1.17 0.72 107.32 109.05 3gqn s GLY 468 Ca 0.37 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.95 3gqn s GLY 468 CO -0.10 -0.22 0.85 -0.32 0.00 0.00 0.00 173.10 173.31 3gqn s GLY 469 N -4.35 1.95 0.27 0.20 0.00 -0.00 -3.33 107.32 102.06 3gqn s GLY 469 Ca 0.72 -0.09 -0.15 0.00 0.00 0.00 0.00 44.72 45.20 3gqn s GLY 469 CO 0.54 0.13 0.57 -0.35 0.00 0.00 0.00 173.10 173.99 3gqn s ASP 470 N -3.20 -0.06 -0.91 1.64 3.68 -0.70 -4.75 116.67 112.36 3gqn s ASP 470 Ca 0.54 -0.89 -0.05 0.00 2.13 0.00 0.00 52.55 54.28 3gqn s ASP 470 Cb -0.10 0.66 -0.03 0.00 -1.45 0.00 0.00 42.92 42.00 3gqn s ASP 470 CO 0.33 -1.26 0.78 0.00 0.13 0.00 0.00 175.17 175.15 3gqn n ALA 471 N -0.43 -2.53 -2.73 3.66 0.00 -0.49 -2.99 120.51 115.01 3gqn n ALA 471 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 3gqn n ALA 471 Cb 0.61 -3.34 -0.15 0.00 0.00 0.00 0.00 19.45 16.57 3gqn n ALA 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gqn s VAL 472 N -3.20 0.80 -0.21 0.00 0.11 -1.01 -1.55 120.40 115.35 3gqn s VAL 472 Ca 0.23 -0.42 -0.07 0.00 -2.93 0.00 0.00 61.98 58.78 3gqn s VAL 472 Cb -0.04 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3gqn s VAL 472 CO 0.77 0.23 0.07 0.21 -3.33 0.00 0.00 175.10 173.05 3gqn s ASN 473 N -0.15 5.46 -0.27 3.54 3.84 0.15 -1.05 114.94 126.47 3gqn s ASN 473 Ca 0.02 -0.02 0.03 0.00 0.21 0.00 0.00 52.86 53.10 3gqn s ASN 473 Cb -0.05 -1.95 0.07 0.00 -0.55 0.00 0.00 41.25 38.76 3gqn s ASN 473 CO -0.00 0.09 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.70 3gqn s ILE 474 N 0.85 2.03 0.05 -5.21 1.09 0.15 0.44 121.20 120.59 3gqn s ILE 474 Ca 0.04 -1.65 0.03 0.00 -1.10 0.00 0.00 60.65 57.96 3gqn s ILE 474 Cb -0.14 -2.23 -0.03 0.00 -1.06 0.00 0.00 42.46 39.01 3gqn s ILE 474 CO 0.02 -0.14 -0.09 -0.94 -0.10 0.00 0.00 174.94 173.70 3gqn s SER 475 N 1.14 0.99 -1.14 3.58 1.04 -0.02 -0.90 113.70 118.39 3gqn s SER 475 Ca -0.05 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 3gqn s SER 475 Cb -0.20 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 3gqn s SER 475 CO -0.06 -0.19 0.82 0.59 0.98 0.00 0.00 173.24 175.37 3gqn n ASN 476 N 1.38 -5.04 -4.36 7.02 3.02 -0.02 -1.94 115.26 115.31 3gqn n ASN 476 Ca -0.22 -0.89 -0.33 0.00 -0.03 0.00 0.00 54.58 53.10 3gqn n ASN 476 Cb 0.55 -4.05 -0.14 0.00 -0.61 0.00 0.00 39.78 35.52 3gqn n ASN 476 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gqn s VAL 477 N -3.48 3.17 -0.17 2.41 1.01 0.58 -1.94 120.40 121.98 3gqn s VAL 477 Ca 0.39 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3gqn s VAL 477 Cb -0.11 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3gqn s VAL 477 CO 0.82 0.50 -0.13 0.28 0.00 0.00 0.00 175.10 176.57 3gqn s THR 478 N 0.59 2.82 -0.34 3.92 -1.32 0.11 -1.05 115.64 120.37 3gqn s THR 478 Ca -0.06 -0.71 -0.08 0.00 -1.21 0.00 0.00 61.69 59.63 3gqn s THR 478 Cb -0.15 -2.22 0.03 0.00 -1.51 0.00 0.00 72.50 68.65 3gqn s THR 478 CO 0.03 0.50 0.14 -0.76 -2.21 0.00 0.00 174.62 172.32 3gqn s LEU 479 N 0.97 4.36 -0.57 9.08 1.43 -0.35 -1.98 118.68 131.64 3gqn s LEU 479 Ca -0.02 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 51.94 3gqn s LEU 479 Cb -0.15 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.25 3gqn s LEU 479 CO -0.02 -0.32 0.60 0.21 0.23 0.00 0.00 176.35 177.06 3gqn s ASN 480 N 1.49 6.19 -1.26 2.29 3.04 0.09 -0.17 114.94 126.60 3gqn s ASN 480 Ca 0.01 -1.61 -0.12 0.00 0.04 0.00 0.00 52.86 51.17 3gqn s ASN 480 Cb -0.19 -2.26 -0.00 0.00 -1.54 0.00 0.00 41.25 37.27 3gqn s ASN 480 CO 0.04 -0.98 0.62 0.59 -3.04 0.00 0.00 177.10 174.33 3gqn n ASN 481 N 5.78 -2.92 -3.58 -4.21 3.02 0.64 -1.76 115.26 112.23 3gqn n ASN 481 Ca -0.12 -1.03 -0.29 0.00 -0.03 0.00 0.00 54.58 53.11 3gqn n ASN 481 Cb 0.41 -3.14 -0.14 0.00 -0.61 0.00 0.00 39.78 36.30 3gqn n ASN 481 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gqn s SER 482 N -3.90 3.48 0.00 6.41 0.01 -1.26 -1.33 113.70 117.11 3gqn s SER 482 Ca 0.26 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 55.70 3gqn s SER 482 Cb -0.10 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.57 3gqn s SER 482 CO 0.88 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.77 3gqn n GLY 483 N 4.57 1.97 0.19 3.44 0.00 -0.77 -3.96 105.19 110.62 3gqn n GLY 483 Ca 0.02 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 3gqn n GLY 483 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gqn h ARG 484 N 0.00 0.63 -4.84 1.61 3.08 -0.29 -3.36 114.38 111.21 3gqn h ARG 484 Ca 0.00 -0.40 -0.65 0.00 0.07 0.00 0.00 59.98 59.00 3gqn h ARG 484 Cb 0.00 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 29.92 3gqn h ARG 484 CO 0.00 1.01 -0.49 0.71 -1.07 0.00 0.00 179.97 180.13 3gqn s TYR 485 N -4.10 3.22 0.00 3.04 1.51 0.78 -0.61 117.35 121.20 3gqn s TYR 485 Ca -0.12 0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 3gqn s TYR 485 Cb 0.07 -2.43 -0.05 0.00 -0.11 0.00 0.00 41.96 39.45 3gqn s TYR 485 CO 0.83 -0.24 0.80 0.78 -1.11 0.00 0.00 175.55 176.61 3gqn h GLY 486 N 8.43 -0.31 -5.84 0.71 0.00 -0.62 -1.73 103.07 103.70 3gqn h GLY 486 Ca -0.34 0.11 -0.66 0.00 0.00 0.00 0.00 47.33 46.45 3gqn h GLY 486 CO 0.58 -0.11 -0.80 0.14 0.00 0.00 0.00 176.54 176.35 3gqn s VAL 487 N -3.05 2.73 -0.10 4.60 1.01 -0.09 -0.62 120.40 124.89 3gqn s VAL 487 Ca -0.04 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3gqn s VAL 487 Cb 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3gqn s VAL 487 CO 0.13 0.52 -0.17 -0.55 0.00 0.00 0.00 175.10 175.03 3gqn s SER 488 N 0.71 2.46 -0.14 3.32 0.15 0.74 0.73 113.70 121.67 3gqn s SER 488 Ca -0.07 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.16 3gqn s SER 488 Cb -0.16 -1.12 -0.00 0.00 -1.71 0.00 0.00 66.02 63.03 3gqn s SER 488 CO 0.02 0.06 -0.17 -0.63 1.20 0.00 0.00 173.24 173.72 3gqn s ILE 489 N 0.71 2.57 0.25 6.45 -1.09 -0.16 -0.62 121.20 129.32 3gqn s ILE 489 Ca -0.12 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.44 3gqn s ILE 489 Cb -0.16 -2.06 0.06 0.00 -1.58 0.00 0.00 42.46 38.72 3gqn s ILE 489 CO 0.03 0.53 0.31 0.61 -1.23 0.00 0.00 174.94 175.18 3gqn n GLY 490 N 3.83 -1.58 3.83 6.18 0.00 -0.17 -2.65 105.19 114.64 3gqn n GLY 490 Ca -0.19 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 3gqn n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gqn s SER 491 N -2.20 6.28 0.00 1.61 1.04 -1.26 -4.11 113.70 115.06 3gqn s SER 491 Ca 0.18 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.26 3gqn s SER 491 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3gqn s SER 491 CO 0.13 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3gqn n GLY 492 N -1.43 0.40 3.71 7.32 0.00 -1.26 -2.51 105.19 111.40 3gqn n GLY 492 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3gqn n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqn s ILE 493 N -2.02 4.90 -0.13 -0.61 1.01 -1.26 -4.98 121.20 118.12 3gqn s ILE 493 Ca 0.00 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 62.45 3gqn s ILE 493 Cb 0.00 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.98 3gqn s ILE 493 CO 0.00 0.15 0.32 -0.62 0.00 0.00 0.00 174.94 174.79 3gqn n GLU 494 N 4.10 0.74 -3.63 2.79 -0.58 -1.26 -4.78 120.64 118.03 3gqn n GLU 494 Ca 0.04 0.28 -0.29 0.00 -0.42 0.00 0.00 57.16 56.77 3gqn n GLU 494 Cb 0.51 -1.70 -0.15 0.00 -0.57 0.00 0.00 31.44 29.53 3gqn n GLU 494 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3gqn s ASN 495 N -7.01 3.77 0.02 1.62 0.01 -1.26 -4.58 114.94 107.50 3gqn s ASN 495 Ca -0.24 -1.46 0.01 0.00 -0.71 0.00 0.00 52.86 50.46 3gqn s ASN 495 Cb 0.07 -0.59 -0.01 0.00 0.41 0.00 0.00 41.25 41.12 3gqn s ASN 495 CO 0.75 -0.43 -0.05 0.68 -1.51 0.00 0.00 177.10 176.54 3gqn s VAL 496 N 1.86 0.31 -0.16 1.60 -7.23 -1.26 -1.40 120.40 114.11 3gqn s VAL 496 Ca 0.09 -0.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 3gqn s VAL 496 Cb -0.17 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.43 3gqn s VAL 496 CO -0.31 -0.22 -0.18 -0.44 -0.31 0.00 0.00 175.10 173.63 3gqn s SER 497 N -0.91 3.33 -0.27 4.85 0.01 -0.22 -0.17 113.70 120.31 3gqn s SER 497 Ca -0.07 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.64 3gqn s SER 497 Cb -0.06 -1.51 0.06 0.00 0.21 0.00 0.00 66.02 64.72 3gqn s SER 497 CO -0.00 0.05 -0.08 -0.63 0.41 0.00 0.00 173.24 172.98 3gqn s ILE 498 N 1.03 2.28 0.03 1.44 1.01 0.11 0.31 121.20 127.41 3gqn s ILE 498 Ca -0.01 -1.66 0.04 0.00 0.00 0.00 0.00 60.65 59.02 3gqn s ILE 498 Cb -0.14 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3gqn s ILE 498 CO -0.06 -0.08 -0.13 0.42 0.00 0.00 0.00 174.94 175.09 3gqn s THR 499 N 1.11 1.04 -0.72 2.92 -4.23 -0.07 -1.57 115.64 114.11 3gqn s THR 499 Ca -0.07 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 3gqn s THR 499 Cb -0.20 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.71 3gqn s THR 499 CO -0.05 0.04 0.67 0.59 -0.54 0.00 0.00 174.62 175.33 3gqn n ASN 500 N 2.07 -7.07 -4.33 3.99 3.02 -0.65 -0.84 115.26 111.46 3gqn n ASN 500 Ca -0.17 -0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 53.83 3gqn n ASN 500 Cb 0.55 -4.37 -0.15 0.00 -0.61 0.00 0.00 39.78 35.20 3gqn n ASN 500 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gqn s ILE 501 N -2.91 2.85 -0.05 2.41 -1.09 -0.71 -0.31 121.20 121.40 3gqn s ILE 501 Ca 0.04 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.74 3gqn s ILE 501 Cb -0.01 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.71 3gqn s ILE 501 CO 0.79 0.52 -0.03 -0.94 -1.23 0.00 0.00 174.94 174.05 3gqn s SER 502 N 0.47 1.02 0.21 3.58 1.04 -0.22 -1.92 113.70 117.89 3gqn s SER 502 Ca -0.11 -0.12 0.10 0.00 0.48 0.00 0.00 55.95 56.31 3gqn s SER 502 Cb -0.16 -0.44 -0.05 0.00 0.10 0.00 0.00 66.02 65.48 3gqn s SER 502 CO 0.05 -0.08 -0.20 -0.83 0.98 0.00 0.00 173.24 173.16 3gqn s GLY 503 N 1.09 1.64 -0.08 7.32 0.00 -0.99 -1.21 107.32 115.09 3gqn s GLY 503 Ca -0.08 -1.67 0.03 0.00 0.00 0.00 0.00 44.72 42.99 3gqn s GLY 503 CO -0.01 -1.73 -0.16 -0.42 0.00 0.00 0.00 173.10 170.78 3gqn s ILE 504 N -2.18 1.44 -0.05 0.90 1.01 0.76 -2.03 121.20 121.06 3gqn s ILE 504 Ca 0.22 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.29 3gqn s ILE 504 Cb -0.06 -1.29 0.10 0.00 0.01 0.00 0.00 42.46 41.23 3gqn s ILE 504 CO 0.10 0.42 1.02 0.61 0.00 0.00 0.00 174.94 177.09 3gqn n GLY 505 N 3.79 1.96 0.31 6.18 0.00 -0.15 -0.26 105.19 117.02 3gqn n GLY 505 Ca -0.21 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 3gqn n GLY 505 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqn h ASP 506 N 0.00 -0.71 -0.03 1.61 3.32 -1.76 -2.87 116.42 115.98 3gqn h ASP 506 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3gqn h ASP 506 Cb 1.18 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3gqn h ASP 506 CO 0.00 -0.42 0.00 0.61 -1.72 0.00 0.00 179.24 177.71 3gqn n GLY 507 N -1.40 0.16 3.82 2.75 0.00 -1.26 -4.83 105.19 104.42 3gqn n GLY 507 Ca -0.10 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3gqn n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqn s ILE 508 N -1.59 4.68 -0.61 -0.61 1.01 -1.09 -4.85 121.20 118.14 3gqn s ILE 508 Ca 0.02 1.17 -0.28 0.00 0.00 0.00 0.00 60.65 61.56 3gqn s ILE 508 Cb 0.01 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.66 3gqn s ILE 508 CO 0.01 0.32 1.27 0.21 0.00 0.00 0.00 174.94 176.76 3gqn s ASN 509 N -1.51 6.30 -0.89 3.58 3.04 -1.13 -4.38 114.94 119.96 3gqn s ASN 509 Ca 0.38 0.03 -0.05 0.00 0.04 0.00 0.00 52.86 53.26 3gqn s ASN 509 Cb -0.17 -2.55 -0.02 0.00 -1.54 0.00 0.00 41.25 36.97 3gqn s ASN 509 CO 0.20 -1.62 0.75 -1.20 -3.04 0.00 0.00 177.10 172.19 3gqn n SER 510 N 8.95 -6.67 -4.79 -4.21 7.64 -1.26 -4.95 113.62 108.34 3gqn n SER 510 Ca 0.08 -0.51 -0.35 0.00 1.01 0.00 0.00 58.87 59.10 3gqn n SER 510 Cb 0.49 -4.37 -0.02 0.00 -1.01 0.00 0.00 64.21 59.30 3gqn n SER 510 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3gqn s PRO 511 N -4.12 3.72 0.00 1.43 0.04 -1.26 -4.89 135.00 129.91 3gqn s PRO 511 Ca 0.18 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3gqn s PRO 511 Cb -0.04 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3gqn s PRO 511 CO 0.79 -0.52 0.00 0.28 0.04 0.00 0.00 177.00 177.59 3gqn n VAL 512 N -0.90 0.00 -4.16 -0.36 0.31 0.22 -4.54 118.33 108.91 3gqn n VAL 512 Ca 0.09 0.24 -0.16 0.00 -0.01 0.00 0.00 64.34 64.50 3gqn n VAL 512 Cb 0.51 -1.20 -0.14 0.00 -0.91 0.00 0.00 33.84 32.10 3gqn n VAL 512 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gqn s ALA 513 N -2.75 0.51 0.06 3.52 0.00 -0.97 -2.81 121.76 119.33 3gqn s ALA 513 Ca 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.40 3gqn s ALA 513 Cb 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 23.12 22.92 3gqn s ALA 513 CO 0.00 0.09 1.43 1.25 0.00 0.00 0.00 175.76 178.53 3gqn h LEU 514 N 5.67 0.43 -8.35 0.00 7.12 -1.24 0.12 115.31 119.05 3gqn h LEU 514 Ca -0.30 -0.40 -0.57 0.00 0.13 0.00 0.00 57.88 56.74 3gqn h LEU 514 Cb 1.19 -0.12 -0.30 0.00 -0.53 0.00 0.00 40.66 40.91 3gqn h LEU 514 CO 0.48 0.74 -0.84 -0.69 -0.13 0.00 0.00 178.44 177.99 3gqn s VAL 515 N -4.62 1.49 -0.03 1.05 1.01 -0.36 -0.91 120.40 118.03 3gqn s VAL 515 Ca -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3gqn s VAL 515 Cb 0.06 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3gqn s VAL 515 CO 0.76 0.42 -0.04 -0.55 0.00 0.00 0.00 175.10 175.69 3gqn s SER 516 N -0.38 0.76 -0.09 3.32 0.15 0.22 -1.40 113.70 116.28 3gqn s SER 516 Ca 0.06 -0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 3gqn s SER 516 Cb -0.08 -0.29 0.05 0.00 -1.71 0.00 0.00 66.02 63.99 3gqn s SER 516 CO -0.00 -0.02 0.19 -0.89 1.20 0.00 0.00 173.24 173.71 3gqn s THR 517 N 0.59 -0.28 0.15 6.45 2.01 0.58 -0.99 115.64 124.16 3gqn s THR 517 Ca -0.07 0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 3gqn s THR 517 Cb -0.11 -0.33 -0.14 0.00 0.01 0.00 0.00 72.50 71.93 3gqn s THR 517 CO -0.00 0.13 1.37 0.16 -0.69 0.00 0.00 174.62 175.59 3gqn h ILE 518 N 6.31 1.39 -0.73 1.82 -0.00 -1.74 -0.81 117.51 123.75 3gqn h ILE 518 Ca -0.17 -2.30 -0.56 0.00 -0.00 0.00 0.00 64.86 61.84 3gqn h ILE 518 Cb 1.12 2.26 -0.04 0.00 -0.00 0.00 0.00 36.82 40.17 3gqn h ILE 518 CO 0.17 0.69 -0.28 0.54 -0.00 0.00 0.00 178.15 179.27 3gqn s ASN 519 N -7.02 4.75 0.00 2.16 4.22 -1.26 -3.69 114.94 114.10 3gqn s ASN 519 Ca -0.06 -1.12 0.18 0.00 -2.14 0.00 0.00 52.86 49.72 3gqn s ASN 519 Cb 0.10 0.27 0.33 0.00 1.28 0.00 0.00 41.25 43.22 3gqn s ASN 519 CO 0.85 -1.08 1.25 -0.24 -2.04 0.00 0.00 177.10 175.84 3gqn n SER 520 N -1.80 3.03 -0.73 3.54 2.88 -1.26 -4.01 113.62 115.26 3gqn n SER 520 Ca 0.02 -1.88 0.08 0.00 -1.33 0.00 0.00 58.87 55.75 3gqn n SER 520 Cb 0.64 -0.20 0.13 0.00 -0.75 0.00 0.00 64.21 64.03 3gqn n SER 520 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3gqn n ASN 521 N 1.09 2.72 -4.75 -3.46 0.23 -1.26 -4.90 115.26 104.92 3gqn n ASN 521 Ca 0.15 -1.80 -0.37 0.00 -0.53 0.00 0.00 54.58 52.03 3gqn n ASN 521 Cb 0.50 -0.14 0.03 0.00 -2.08 0.00 0.00 39.78 38.08 3gqn n ASN 521 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 3gqn s PRO 522 N -1.15 3.17 -0.12 -0.53 0.02 -1.26 -4.55 135.00 130.58 3gqn s PRO 522 Ca 0.24 1.97 -0.06 0.00 0.02 0.00 0.00 61.00 63.16 3gqn s PRO 522 Cb 0.14 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 3gqn s PRO 522 CO 0.20 -1.08 0.12 -1.21 -0.33 0.00 0.00 177.00 174.69 3gqn s GLU 523 N -3.06 3.45 -0.03 5.54 2.02 0.76 -4.91 118.70 122.47 3gqn s GLU 523 Ca 0.73 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.55 3gqn s GLU 523 Cb -0.34 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 30.76 3gqn s GLU 523 CO 0.39 0.72 -0.04 0.42 0.02 0.00 0.00 175.26 176.76 3gqn s ILE 524 N -0.86 0.46 0.07 -1.63 1.01 -0.92 0.06 121.20 119.38 3gqn s ILE 524 Ca 0.14 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 3gqn s ILE 524 Cb -0.12 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 41.94 3gqn s ILE 524 CO 0.03 0.18 0.48 -0.94 0.00 0.00 0.00 174.94 174.69 3gqn s SER 525 N 0.54 -0.38 -0.89 3.58 1.04 -0.61 -0.41 113.70 116.58 3gqn s SER 525 Ca -0.07 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 3gqn s SER 525 Cb -0.10 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3gqn s SER 525 CO -0.00 -0.75 0.75 0.61 0.98 0.00 0.00 173.24 174.83 3gqn n GLY 526 N 0.26 -0.25 3.61 7.32 0.00 -1.26 -1.63 105.19 113.23 3gqn n GLY 526 Ca -0.18 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3gqn n GLY 526 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqn s LEU 527 N -5.23 3.86 0.03 0.99 1.43 -1.26 -1.73 118.68 116.77 3gqn s LEU 527 Ca 0.06 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 3gqn s LEU 527 Cb -0.01 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3gqn s LEU 527 CO 0.56 0.09 0.10 -0.94 0.23 0.00 0.00 176.35 176.39 3gqn s SER 528 N 0.87 0.16 -0.01 2.29 1.04 -0.81 -4.69 113.70 112.55 3gqn s SER 528 Ca 0.05 -0.50 -0.28 0.00 0.48 0.00 0.00 55.95 55.70 3gqn s SER 528 Cb -0.13 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.31 3gqn s SER 528 CO 0.03 -0.49 0.82 -0.94 0.98 0.00 0.00 173.24 173.63 3gqn s SER 529 N -2.05 -0.46 -0.02 7.02 1.04 -1.26 -2.35 113.70 115.63 3gqn s SER 529 Ca -0.06 0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.64 3gqn s SER 529 Cb -0.02 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 3gqn s SER 529 CO -0.04 -0.63 -0.22 -0.51 0.98 0.00 0.00 173.24 172.81 3gqn s ILE 530 N -2.51 1.79 0.00 -1.02 1.10 -0.86 -4.77 121.20 114.92 3gqn s ILE 530 Ca 0.00 -0.96 0.00 0.00 -0.51 0.00 0.00 60.65 59.18 3gqn s ILE 530 Cb -0.01 -1.49 0.00 0.00 0.15 0.00 0.00 42.46 41.11 3gqn s ILE 530 CO -0.04 0.51 0.00 0.61 -2.11 0.00 0.00 174.94 173.90 3gqn n GLY 531 N 2.61 1.37 3.70 1.50 0.00 -1.26 -0.98 105.19 112.13 3gqn n GLY 531 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3gqn n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqn s TYR 532 N -2.87 3.42 0.48 1.61 1.51 -1.26 -4.37 117.35 115.87 3gqn s TYR 532 Ca 0.00 0.59 0.20 0.00 -1.01 0.00 0.00 57.07 56.84 3gqn s TYR 532 Cb 0.00 -2.42 1.27 0.00 -0.11 0.00 0.00 41.96 40.69 3gqn s TYR 532 CO 0.00 0.12 2.08 -1.35 -1.11 0.00 0.00 175.55 175.29 3gqn h PRO 533 N 7.04 0.00 -4.15 -1.71 0.11 -1.80 -3.40 132.00 128.09 3gqn h PRO 533 Ca -0.39 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.29 3gqn h PRO 533 Cb 1.16 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.94 3gqn h PRO 533 CO 0.73 0.11 -0.78 0.99 -0.21 0.00 0.00 178.00 178.84 3gqn s THR 534 N -4.63 0.67 0.03 -1.15 2.01 -1.12 -4.98 115.64 106.46 3gqn s THR 534 Ca -0.04 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.57 3gqn s THR 534 Cb 0.15 -0.66 -0.22 0.00 0.01 0.00 0.00 72.50 71.78 3gqn s THR 534 CO 0.65 0.25 1.14 0.58 -0.69 0.00 0.00 174.62 176.55 3gqn h VAL 535 N 6.08 1.38 -3.42 3.82 2.07 -1.72 -1.40 116.25 123.07 3gqn h VAL 535 Ca -0.37 -2.07 -0.35 0.00 0.82 0.00 0.00 66.70 64.73 3gqn h VAL 535 Cb 1.16 2.47 -0.36 0.00 -1.52 0.00 0.00 31.29 33.04 3gqn h VAL 535 CO 0.48 0.62 -0.74 0.00 0.02 0.00 0.00 177.57 177.94 3gqn s ALA 536 N -3.32 0.27 -0.32 1.67 0.00 -1.07 -1.22 121.76 117.77 3gqn s ALA 536 Ca -0.12 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 3gqn s ALA 536 Cb 0.05 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.76 3gqn s ALA 536 CO 0.85 -0.26 0.05 0.50 0.00 0.00 0.00 175.76 176.90 3gqn s ARG 537 N 1.50 2.57 -0.10 0.00 3.52 -0.49 -0.06 118.95 125.89 3gqn s ARG 537 Ca -0.03 -1.19 0.03 0.00 -0.13 0.00 0.00 55.73 54.40 3gqn s ARG 537 Cb -0.13 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 3gqn s ARG 537 CO -0.03 -0.63 -0.19 0.08 -0.81 0.00 0.00 175.30 173.73 3gqn s VAL 538 N 1.34 1.72 -1.45 7.11 1.01 -0.56 -0.30 120.40 129.27 3gqn s VAL 538 Ca -0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 3gqn s VAL 538 Cb -0.19 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3gqn s VAL 538 CO 0.01 0.48 0.25 0.00 0.00 0.00 0.00 175.10 175.84 3gqn n ALA 539 N 3.86 -2.09 -3.59 5.51 0.00 -0.31 -1.08 120.51 122.82 3gqn n ALA 539 Ca -0.20 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.63 3gqn n ALA 539 Cb 0.52 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.70 3gqn n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqn n GLY 540 N -2.28 -0.53 2.93 0.00 0.00 -1.26 -5.02 105.19 99.02 3gqn n GLY 540 Ca -0.29 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3gqn n GLY 540 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gqn s THR 541 N -3.32 -0.06 -0.00 2.61 2.01 -0.24 -5.13 115.64 111.51 3gqn s THR 541 Ca 0.53 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 3gqn s THR 541 Cb -0.23 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 3gqn s THR 541 CO 0.73 0.08 1.05 -1.81 -0.69 0.00 0.00 174.62 173.98 3gqn s ASP 542 N 1.22 7.26 -0.64 3.53 1.01 -1.26 -1.50 116.67 126.30 3gqn s ASP 542 Ca -0.09 1.74 0.03 0.00 0.71 0.00 0.00 52.55 54.94 3gqn s ASP 542 Cb -0.12 -2.57 0.16 0.00 1.01 0.00 0.00 42.92 41.40 3gqn s ASP 542 CO -0.06 -0.35 0.43 -0.31 0.21 0.00 0.00 175.17 175.08 3gqn s TYR 543 N 1.21 3.43 0.13 4.23 1.51 0.92 -5.00 117.35 123.78 3gqn s TYR 543 Ca 0.54 -3.14 0.34 0.00 -1.01 0.00 0.00 57.07 53.79 3gqn s TYR 543 Cb -0.23 -2.90 1.60 0.00 -0.11 0.00 0.00 41.96 40.32 3gqn s TYR 543 CO 0.27 -0.69 2.01 -0.91 -1.11 0.00 0.00 175.55 175.12 3gqn h ASN 544 N 6.16 0.00 -0.07 2.29 2.35 -1.94 -1.43 115.58 122.95 3gqn h ASN 544 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3gqn h ASN 544 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3gqn h ASN 544 CO 0.72 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.97 3gqn n ASP 545 N -2.82 2.67 0.00 5.81 8.00 -1.26 -3.87 116.55 125.08 3gqn n ASP 545 Ca -0.00 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.53 3gqn n ASP 545 Cb 0.18 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3gqn n ASP 545 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqn n GLY 546 N -1.11 1.71 3.15 0.44 0.00 -0.56 -4.95 105.19 103.87 3gqn n GLY 546 Ca 0.16 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 3gqn n GLY 546 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gqn s LEU 547 N 0.00 2.33 -0.25 0.99 0.20 -1.26 -4.88 118.68 115.81 3gqn s LEU 547 Ca 0.00 -0.70 0.03 0.00 0.69 0.00 0.00 54.13 54.15 3gqn s LEU 547 Cb 0.00 -0.35 0.05 0.00 -0.43 0.00 0.00 46.19 45.46 3gqn s LEU 547 CO 0.00 -0.19 -0.12 -0.89 -0.29 0.00 0.00 176.35 174.86 3gqn s THR 548 N -1.84 2.18 -0.11 3.68 2.01 -1.26 -4.23 115.64 116.07 3gqn s THR 548 Ca 0.00 -1.52 0.01 0.00 0.31 0.00 0.00 61.69 60.48 3gqn s THR 548 Cb -0.07 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.23 3gqn s THR 548 CO 0.01 0.05 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.66 3gqn s LEU 549 N 1.13 1.48 0.05 4.42 2.96 0.46 -4.98 118.68 124.20 3gqn s LEU 549 Ca -0.07 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3gqn s LEU 549 Cb -0.19 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 3gqn s LEU 549 CO -0.06 -0.05 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.35 3gqn s PHE 550 N 1.33 2.49 0.11 5.38 0.40 -1.26 -2.16 117.98 124.27 3gqn s PHE 550 Ca -0.01 -0.30 0.09 0.00 -0.60 0.00 0.00 56.93 56.11 3gqn s PHE 550 Cb -0.14 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 3gqn s PHE 550 CO -0.05 0.24 -0.19 -0.80 0.70 0.00 0.00 175.22 175.11 3gqn s ASN 551 N -1.47 3.83 0.00 1.36 0.01 -1.26 -5.07 114.94 112.33 3gqn s ASN 551 Ca 0.14 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 3gqn s ASN 551 Cb -0.10 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.04 3gqn s ASN 551 CO 0.05 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 3gqn n GLY 552 N 0.88 -2.08 3.72 0.66 0.00 -1.25 -4.96 105.19 102.16 3gqn n GLY 552 Ca -0.16 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 3gqn n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqn n ALA 553 N 0.14 1.92 -2.56 4.61 0.00 -1.24 -4.66 120.51 118.71 3gqn n ALA 553 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 3gqn n ALA 553 Cb 0.00 -2.37 -0.16 0.00 0.00 0.00 0.00 19.45 16.92 3gqn n ALA 553 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3gqn s PHE 554 N -0.42 2.04 -0.08 0.00 5.36 -1.16 -5.01 117.98 118.70 3gqn s PHE 554 Ca 0.62 -0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 56.08 3gqn s PHE 554 Cb -0.54 -1.33 0.04 0.00 -0.34 0.00 0.00 43.02 40.85 3gqn s PHE 554 CO 0.54 -0.10 0.17 0.50 -1.46 0.00 0.00 175.22 174.88 3gqn s ARG 555 N -0.34 0.11 0.00 10.12 3.52 -1.26 -1.72 118.95 129.38 3gqn s ARG 555 Ca 0.04 0.46 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 3gqn s ARG 555 Cb -0.10 -0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.10 3gqn s ARG 555 CO 0.01 -0.20 -0.04 0.00 -0.81 0.00 0.00 175.30 174.25 3gqn s ALA 556 N 1.48 0.36 -1.49 6.12 0.00 -0.94 -4.92 121.76 122.36 3gqn s ALA 556 Ca -0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 3gqn s ALA 556 Cb -0.11 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.01 3gqn s ALA 556 CO -0.07 0.06 0.94 -1.13 0.00 0.00 0.00 175.76 175.57 3gqn n SER 557 N 2.75 -5.07 -4.31 0.00 3.41 -1.26 -2.10 113.62 107.04 3gqn n SER 557 Ca -0.14 -0.67 -0.24 0.00 -0.26 0.00 0.00 58.87 57.56 3gqn n SER 557 Cb 0.58 -4.05 -0.12 0.00 -0.26 0.00 0.00 64.21 60.36 3gqn n SER 557 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gqn s THR 558 N -3.26 1.82 -0.09 6.66 -4.23 -1.26 -3.03 115.64 112.26 3gqn s THR 558 Ca 0.61 -1.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.22 3gqn s THR 558 Cb -0.30 -1.69 -0.29 0.00 1.34 0.00 0.00 72.50 71.56 3gqn s THR 558 CO 0.75 -0.11 0.78 0.71 -0.54 0.00 0.00 174.62 176.21 3gqn h THR 559 N 3.83 1.48 -3.60 3.99 1.35 -1.83 -3.48 112.91 114.64 3gqn h THR 559 Ca -0.46 -2.46 -0.08 0.00 -0.55 0.00 0.00 66.41 62.86 3gqn h THR 559 Cb 1.19 3.13 -0.15 0.00 -1.73 0.00 0.00 68.15 70.59 3gqn h THR 559 CO 0.42 0.67 -0.29 -0.94 -0.25 0.00 0.00 175.52 175.13 3gqn s SER 560 N -6.80 -0.00 0.01 5.36 1.04 -1.26 -4.96 113.70 107.08 3gqn s SER 560 Ca -0.17 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.64 3gqn s SER 560 Cb 0.01 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3gqn s SER 560 CO 0.78 -0.71 0.35 -0.94 0.98 0.00 0.00 173.24 173.69 3gqn s SER 561 N -2.61 -0.22 0.00 7.02 1.04 -1.26 -3.33 113.70 114.34 3gqn s SER 561 Ca 0.02 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3gqn s SER 561 Cb 0.03 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3gqn s SER 561 CO -0.09 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.21 3gqn n GLY 562 N 0.96 1.21 3.75 7.32 0.00 -0.62 -4.83 105.19 112.99 3gqn n GLY 562 Ca -0.20 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3gqn n GLY 562 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqn s LYS 563 N 1.56 4.27 -0.18 1.61 1.02 -1.26 -4.85 119.74 121.90 3gqn s LYS 563 Ca 0.00 2.31 -0.00 0.00 0.02 0.00 0.00 55.97 58.29 3gqn s LYS 563 Cb 0.00 -3.10 0.05 0.00 -0.52 0.00 0.00 37.83 34.26 3gqn s LYS 563 CO 0.00 -0.40 -0.05 0.42 -0.92 0.00 0.00 175.35 174.41 3gqn s ILE 564 N -0.21 1.15 0.62 2.17 1.01 -1.26 -0.71 121.20 123.98 3gqn s ILE 564 Ca 0.58 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 3gqn s ILE 564 Cb -0.42 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3gqn s ILE 564 CO 0.46 0.05 1.22 -2.28 0.00 0.00 0.00 174.94 174.39 3gqn s HIS 565 N 1.60 2.28 0.56 3.97 5.65 -0.34 -4.69 115.29 124.33 3gqn s HIS 565 Ca -0.01 1.52 0.29 0.00 0.25 0.00 0.00 55.06 57.11 3gqn s HIS 565 Cb -0.16 -3.52 1.47 0.00 -1.18 0.00 0.00 32.58 29.18 3gqn s HIS 565 CO -0.07 -2.41 1.91 0.66 -0.65 0.00 0.00 174.74 174.17 3gqn h SER 566 N 0.65 0.00 -0.73 9.88 4.64 -1.91 0.26 113.55 126.35 3gqn h SER 566 Ca -0.50 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.34 3gqn h SER 566 Cb 1.31 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.11 3gqn h SER 566 CO 0.54 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.88 3gqn n GLU 567 N -4.01 2.73 -4.35 4.77 4.71 -1.26 -3.71 120.64 119.52 3gqn n GLU 567 Ca 0.12 -3.55 -0.18 0.00 -0.01 0.00 0.00 57.16 53.54 3gqn n GLU 567 Cb 0.76 -2.14 -0.10 0.00 -1.01 0.00 0.00 31.44 28.95 3gqn n GLU 567 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3gqn s GLY 568 N -2.61 1.48 0.09 0.62 0.00 0.91 -0.27 107.32 107.54 3gqn s GLY 568 Ca 0.54 -1.71 -0.07 0.00 0.00 0.00 0.00 44.72 43.48 3gqn s GLY 568 CO 0.02 -1.73 0.16 -0.11 0.00 0.00 0.00 173.10 171.44 3gqn s PHE 569 N -3.12 0.23 -0.06 1.90 -0.71 -1.11 -3.00 117.98 112.11 3gqn s PHE 569 Ca 0.24 -0.67 -0.00 0.00 -1.04 0.00 0.00 56.93 55.45 3gqn s PHE 569 Cb 0.02 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 3gqn s PHE 569 CO 0.07 -0.53 -0.03 0.42 -1.34 0.00 0.00 175.22 173.81 3gqn s ILE 570 N -3.88 0.50 -0.01 -4.49 1.09 -0.70 -1.81 121.20 111.90 3gqn s ILE 570 Ca 0.06 -0.02 0.02 0.00 -1.10 0.00 0.00 60.65 59.61 3gqn s ILE 570 Cb 0.05 -0.59 -0.00 0.00 -1.06 0.00 0.00 42.46 40.86 3gqn s ILE 570 CO -0.10 0.25 -0.07 -0.04 -0.10 0.00 0.00 174.94 174.89 3gqn s MET 571 N 1.47 0.62 -1.39 2.79 -1.94 -0.34 -2.21 119.30 118.30 3gqn s MET 571 Ca -0.02 -0.23 -0.09 0.00 -1.71 0.00 0.00 55.69 53.63 3gqn s MET 571 Cb -0.13 -0.60 0.03 0.00 2.01 0.00 0.00 34.83 36.13 3gqn s MET 571 CO -0.03 0.12 1.09 0.41 -0.01 0.00 0.00 175.02 176.60 3gqn n GLY 572 N 3.07 -0.51 3.26 -0.03 0.00 -0.89 -0.83 105.19 109.27 3gqn n GLY 572 Ca -0.15 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3gqn n GLY 572 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqn s SER 573 N -3.46 1.99 0.09 1.61 0.01 -1.23 -2.63 113.70 110.08 3gqn s SER 573 Ca 0.53 -0.93 0.02 0.00 1.31 0.00 0.00 55.95 56.87 3gqn s SER 573 Cb -0.24 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 3gqn s SER 573 CO 0.76 -0.23 -0.07 0.42 0.41 0.00 0.00 173.24 174.53 3gqn s THR 574 N -2.80 0.68 -0.63 1.44 -4.23 0.74 -2.20 115.64 108.62 3gqn s THR 574 Ca 0.14 -1.76 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 3gqn s THR 574 Cb -0.01 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.39 3gqn s THR 574 CO 0.03 -0.77 0.64 -1.54 -0.54 0.00 0.00 174.62 172.44 3gqn n SER 575 N 0.27 -6.24 -0.76 3.99 3.41 -1.26 -1.31 113.62 111.73 3gqn n SER 575 Ca -0.14 -0.28 -0.07 0.00 -0.26 0.00 0.00 58.87 58.12 3gqn n SER 575 Cb 0.59 -3.14 -0.01 0.00 -0.26 0.00 0.00 64.21 61.40 3gqn n SER 575 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqn n GLY 576 N -1.03 0.32 3.74 5.00 0.00 -1.21 -2.38 105.19 109.63 3gqn n GLY 576 Ca -0.11 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3gqn n GLY 576 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqn s GLU 578 N -0.71 0.52 -0.42 0.00 2.12 -0.58 -1.58 118.70 118.04 3gqn s GLU 578 Ca 0.63 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.79 3gqn s GLU 578 Cb -0.50 -0.52 0.15 0.00 0.26 0.00 0.00 34.13 33.52 3gqn s GLU 578 CO 0.51 0.09 0.26 0.00 -0.54 0.00 0.00 175.26 175.58 3gqn s ALA 579 N 0.04 1.67 -1.47 6.30 0.00 0.12 -0.99 121.76 127.43 3gqn s ALA 579 Ca -0.00 -2.38 0.26 0.00 0.00 0.00 0.00 51.96 49.84 3gqn s ALA 579 Cb -0.04 -1.75 0.64 0.00 0.00 0.00 0.00 23.12 21.97 3gqn s ALA 579 CO -0.00 -2.07 1.49 -1.13 0.00 0.00 0.00 175.76 174.06 3gqn n SER 580 N 3.50 0.84 -4.55 0.00 3.41 -0.40 -1.20 113.62 115.21 3gqn n SER 580 Ca 0.14 -0.66 -0.27 0.00 -0.26 0.00 0.00 58.87 57.82 3gqn n SER 580 Cb 0.38 0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 3gqn n SER 580 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3gqn s VAL 581 N -2.69 1.48 0.25 -3.33 -7.23 -1.26 -4.39 120.40 103.23 3gqn s VAL 581 Ca 0.19 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 3gqn s VAL 581 Cb 0.19 -2.72 -0.11 0.00 0.56 0.00 0.00 36.38 34.30 3gqn s VAL 581 CO 0.59 0.00 1.60 -0.55 -0.31 0.00 0.00 175.10 176.43 3gqn s SER 582 N -3.67 6.43 -1.28 4.85 0.15 -1.26 -2.88 113.70 116.04 3gqn s SER 582 Ca 0.29 2.86 -0.05 0.00 0.70 0.00 0.00 55.95 59.75 3gqn s SER 582 Cb 0.07 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 3gqn s SER 582 CO 0.14 -0.89 1.10 0.29 1.20 0.00 0.00 173.24 175.08 3gqn n LYS 583 N 2.78 -7.34 -4.89 5.44 5.02 0.63 -3.46 118.16 116.34 3gqn n LYS 583 Ca 0.10 0.84 -0.28 0.00 -2.02 0.00 0.00 58.31 56.95 3gqn n LYS 583 Cb 0.37 -5.87 -0.15 0.00 -0.02 0.00 0.00 35.03 29.36 3gqn n LYS 583 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gqn s SER 584 N -3.81 2.79 -0.06 4.39 1.04 -1.14 -1.21 113.70 115.70 3gqn s SER 584 Ca 0.31 -0.51 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 3gqn s SER 584 Cb -0.14 -0.26 0.04 0.00 0.10 0.00 0.00 66.02 65.75 3gqn s SER 584 CO 0.73 0.23 0.40 -0.83 0.98 0.00 0.00 173.24 174.75 3gqn s GLY 585 N -1.00 -0.26 -0.08 7.32 0.00 -1.16 -2.73 107.32 109.40 3gqn s GLY 585 Ca 0.09 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.56 3gqn s GLY 585 CO 0.01 0.52 -0.12 0.14 0.00 0.00 0.00 173.10 173.65 3gqn s VAL 586 N -0.83 1.18 0.03 1.40 1.01 -0.75 -1.84 120.40 120.60 3gqn s VAL 586 Ca -0.09 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3gqn s VAL 586 Cb -0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3gqn s VAL 586 CO 0.04 0.37 -0.25 -0.76 0.00 0.00 0.00 175.10 174.50 3gqn s LEU 587 N 0.87 2.14 -1.51 3.92 1.43 0.16 -1.20 118.68 124.50 3gqn s LEU 587 Ca -0.10 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 3gqn s LEU 587 Cb -0.15 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.83 3gqn s LEU 587 CO 0.01 0.25 0.13 0.35 0.23 0.00 0.00 176.35 177.33 3gqn n THR 588 N 1.92 -1.61 -4.12 5.49 -2.24 -0.01 -2.31 114.28 111.41 3gqn n THR 588 Ca -0.17 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 3gqn n THR 588 Cb 0.52 -1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.16 3gqn n THR 588 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gqn s SER 589 N -4.37 0.79 -0.05 3.42 0.01 -1.23 -2.77 113.70 109.50 3gqn s SER 589 Ca 0.01 -0.95 0.05 0.00 1.31 0.00 0.00 55.95 56.38 3gqn s SER 589 Cb -0.01 0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 3gqn s SER 589 CO 0.97 -0.50 -0.21 -0.94 0.41 0.00 0.00 173.24 172.97 3gqn s SER 590 N -2.81 2.56 -1.32 2.44 1.04 -0.18 -0.19 113.70 115.25 3gqn s SER 590 Ca 0.07 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 3gqn s SER 590 Cb 0.05 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.51 3gqn s SER 590 CO -0.06 0.20 0.49 -1.54 0.98 0.00 0.00 173.24 173.31 3gqn n SER 591 N 3.02 -2.40 -4.33 7.02 3.41 -0.42 -3.05 113.62 116.86 3gqn n SER 591 Ca -0.18 -1.18 -0.29 0.00 -0.26 0.00 0.00 58.87 56.96 3gqn n SER 591 Cb 0.52 -2.28 -0.14 0.00 -0.26 0.00 0.00 64.21 62.05 3gqn n SER 591 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3gqn s SER 592 N -3.89 3.05 -0.04 4.04 0.01 -1.26 -3.57 113.70 112.04 3gqn s SER 592 Ca 0.27 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3gqn s SER 592 Cb -0.13 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.84 3gqn s SER 592 CO 0.94 0.22 -0.10 -0.54 0.41 0.00 0.00 173.24 174.17 3gqn s LYS 593 N -1.36 1.19 -0.08 12.44 1.02 0.88 -1.53 119.74 132.30 3gqn s LYS 593 Ca 0.11 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.79 3gqn s LYS 593 Cb -0.10 -1.08 -0.00 0.00 -0.52 0.00 0.00 37.83 36.14 3gqn s LYS 593 CO 0.03 0.11 -0.22 -0.08 -0.92 0.00 0.00 175.35 174.27 3gqn s THR 594 N 0.29 1.84 -0.14 2.17 -1.32 -0.16 -0.38 115.64 117.94 3gqn s THR 594 Ca -0.06 -0.91 0.15 0.00 -1.21 0.00 0.00 61.69 59.66 3gqn s THR 594 Cb -0.11 -1.59 0.39 0.00 -1.51 0.00 0.00 72.50 69.68 3gqn s THR 594 CO 0.01 0.51 1.19 -1.54 -2.21 0.00 0.00 174.62 172.59 3gqn n SER 595 N 3.39 1.56 -4.69 8.08 3.41 -0.05 -1.28 113.62 124.03 3gqn n SER 595 Ca -0.19 -3.31 -0.37 0.00 -0.26 0.00 0.00 58.87 54.75 3gqn n SER 595 Cb 0.53 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 3gqn n SER 595 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gqn s SER 596 N -2.83 6.27 -0.10 4.04 0.15 -1.21 -4.74 113.70 115.28 3gqn s SER 596 Ca 0.35 0.31 -0.30 0.00 0.70 0.00 0.00 55.95 57.01 3gqn s SER 596 Cb 0.35 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 3gqn s SER 596 CO -0.08 0.06 1.07 -0.70 1.20 0.00 0.00 173.24 174.79 3gqn s GLU 597 N 0.85 4.39 -0.33 5.44 2.12 -1.24 -3.79 118.70 126.13 3gqn s GLU 597 Ca 0.12 1.47 -0.12 0.00 0.36 0.00 0.00 54.97 56.81 3gqn s GLU 597 Cb -0.13 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.72 3gqn s GLU 597 CO 0.04 -0.37 0.45 0.54 -0.54 0.00 0.00 175.26 175.37 3gqn n ARG 598 N 5.13 -1.94 -3.75 4.30 1.74 -0.35 -2.35 116.66 119.44 3gqn n ARG 598 Ca 0.10 1.82 -0.10 0.00 -0.77 0.00 0.00 57.85 58.89 3gqn n ARG 598 Cb 0.48 -4.79 -0.06 0.00 -1.02 0.00 0.00 32.46 27.07 3gqn n ARG 598 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gqn s SER 599 N -2.22 -0.05 -0.02 0.55 1.04 -0.43 -1.18 113.70 111.40 3gqn s SER 599 Ca 0.19 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 3gqn s SER 599 Cb -0.05 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.48 3gqn s SER 599 CO 0.61 -0.76 0.03 -0.22 0.98 0.00 0.00 173.24 173.88 3gqn s LEU 600 N -2.74 1.45 -0.12 2.42 2.96 -0.34 -2.98 118.68 119.32 3gqn s LEU 600 Ca 0.03 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3gqn s LEU 600 Cb 0.03 0.03 -0.00 0.00 0.50 0.00 0.00 46.19 46.74 3gqn s LEU 600 CO -0.11 -0.07 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.04 3gqn s ILE 601 N 0.58 2.52 0.02 6.68 1.01 -0.76 -1.08 121.20 130.17 3gqn s ILE 601 Ca -0.05 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 3gqn s ILE 601 Cb -0.07 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3gqn s ILE 601 CO -0.02 0.54 0.07 0.00 0.00 0.00 0.00 174.94 175.53 3gqn s ALA 602 N 0.47 -0.11 -1.40 9.38 0.00 -0.45 0.41 121.76 130.05 3gqn s ALA 602 Ca -0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 3gqn s ALA 602 Cb -0.17 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3gqn s ALA 602 CO 0.05 -0.22 0.73 0.41 0.00 0.00 0.00 175.76 176.73 3gqn n GLY 603 N 1.30 -0.34 3.29 0.00 0.00 -0.98 -2.09 105.19 106.37 3gqn n GLY 603 Ca -0.22 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 3gqn n GLY 603 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqn s SER 604 N -4.03 0.95 0.33 1.61 0.01 -1.15 -2.84 113.70 108.58 3gqn s SER 604 Ca 0.21 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.07 3gqn s SER 604 Cb -0.11 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3gqn s SER 604 CO 0.84 -0.77 0.43 -1.54 0.41 0.00 0.00 173.24 172.60 3gqn n SER 605 N -0.46 -1.18 -0.85 2.44 3.41 0.05 -1.01 113.62 116.02 3gqn n SER 605 Ca 0.01 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 3gqn n SER 605 Cb 0.66 2.27 0.00 0.00 -0.26 0.00 0.00 64.21 66.88 3gqn n SER 605 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gqn n THR 606 N -0.57 0.00 -4.12 6.66 -1.04 -1.17 -1.79 114.28 112.25 3gqn n THR 606 Ca 0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.73 3gqn n THR 606 Cb 0.57 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.00 3gqn n THR 606 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3gqn s SER 607 N -0.77 5.11 -0.03 8.00 0.01 -1.23 -3.66 113.70 121.12 3gqn s SER 607 Ca 0.00 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.11 3gqn s SER 607 Cb 0.00 -1.24 0.02 0.00 0.21 0.00 0.00 66.02 65.01 3gqn s SER 607 CO 0.00 0.17 -0.02 -0.70 0.41 0.00 0.00 173.24 173.09 3gqn s GLU 608 N -2.39 0.51 -0.13 12.44 2.12 -0.29 -0.08 118.70 130.88 3gqn s GLU 608 Ca 0.27 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 3gqn s GLU 608 Cb -0.12 -0.60 -0.02 0.00 0.26 0.00 0.00 34.13 33.66 3gqn s GLU 608 CO 0.19 -0.08 -0.10 0.00 -0.54 0.00 0.00 175.26 174.73 3gqn s ALA 609 N 0.82 2.76 0.00 6.30 0.00 0.49 -1.59 121.76 130.55 3gqn s ALA 609 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3gqn s ALA 609 Cb -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3gqn s ALA 609 CO -0.01 0.29 0.35 0.36 0.00 0.00 0.00 175.76 176.75 3gqn n LYS 610 N 3.35 0.00 0.00 0.00 2.85 0.85 -0.87 118.16 124.33 3gqn n LYS 610 Ca -0.18 -0.35 0.00 0.00 -1.05 0.00 0.00 58.31 56.73 3gqn n LYS 610 Cb 0.53 -0.49 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 3gqn n LYS 610 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gqn n GLY 611 N 0.00 0.58 3.21 2.58 0.00 -1.21 -4.67 105.19 105.68 3gqn n GLY 611 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3gqn n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqn s THR 612 N 1.98 0.12 -1.53 2.61 -4.23 -1.25 -3.65 115.64 109.69 3gqn s THR 612 Ca 0.00 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.41 3gqn s THR 612 Cb 0.00 -1.13 0.08 0.00 1.34 0.00 0.00 72.50 72.79 3gqn s THR 612 CO 0.00 -0.55 0.76 -1.22 -0.54 0.00 0.00 174.62 173.07 3gqn n TYR 613 N 0.28 -1.93 -3.71 3.99 4.02 -0.33 -0.19 117.16 119.29 3gqn n TYR 613 Ca -0.17 0.83 -0.36 0.00 -0.01 0.00 0.00 57.90 58.19 3gqn n TYR 613 Cb 0.61 -3.66 -0.07 0.00 -0.02 0.00 0.00 39.34 36.20 3gqn n TYR 613 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3gqn s ASN 614 N -3.69 6.35 -0.05 7.72 0.01 -1.13 -3.50 114.94 120.64 3gqn s ASN 614 Ca 0.45 0.41 0.06 0.00 -0.71 0.00 0.00 52.86 53.07 3gqn s ASN 614 Cb -0.24 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 3gqn s ASN 614 CO 0.87 0.23 -0.24 0.42 -1.51 0.00 0.00 177.10 176.88 3gqn s THR 615 N -0.09 1.97 -0.15 1.60 -4.23 -1.25 -1.20 115.64 112.29 3gqn s THR 615 Ca 0.13 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 3gqn s THR 615 Cb -0.12 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.07 3gqn s THR 615 CO 0.02 0.55 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.84 3gqn s ILE 616 N -0.16 1.84 -0.04 2.99 1.01 -0.24 -1.59 121.20 125.00 3gqn s ILE 616 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3gqn s ILE 616 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.67 3gqn s ILE 616 CO 0.03 0.50 -0.12 -0.76 0.00 0.00 0.00 174.94 174.60 3gqn s LEU 617 N 1.20 1.78 -1.33 2.97 1.43 0.83 -1.34 118.68 124.22 3gqn s LEU 617 Ca 0.01 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3gqn s LEU 617 Cb -0.14 -0.71 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 3gqn s LEU 617 CO -0.08 0.08 0.58 0.61 0.23 0.00 0.00 176.35 177.76 3gqn n GLY 618 N 3.37 -0.34 3.19 -3.19 0.00 -0.89 -0.83 105.19 106.50 3gqn n GLY 618 Ca -0.19 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3gqn n GLY 618 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqn s SER 619 N -4.27 1.71 -0.07 1.61 0.01 -1.19 -3.28 113.70 108.23 3gqn s SER 619 Ca 0.06 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.67 3gqn s SER 619 Cb -0.02 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.17 3gqn s SER 619 CO 0.85 -0.11 -0.16 -0.22 0.41 0.00 0.00 173.24 174.01 3gqn s LEU 620 N -1.96 1.82 -1.31 2.44 0.20 -0.70 -0.77 118.68 118.40 3gqn s LEU 620 Ca 0.01 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 54.43 3gqn s LEU 620 Cb -0.08 -1.02 -0.00 0.00 -0.43 0.00 0.00 46.19 44.66 3gqn s LEU 620 CO 0.02 0.09 0.65 0.61 -0.29 0.00 0.00 176.35 177.43 3gqn n GLY 621 N 3.61 -0.33 3.44 7.98 0.00 -0.74 -0.35 105.19 118.80 3gqn n GLY 621 Ca -0.21 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3gqn n GLY 621 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqn s ALA 622 N -3.72 2.61 -0.08 4.61 0.00 -1.25 -1.77 121.76 122.16 3gqn s ALA 622 Ca 0.03 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.07 3gqn s ALA 622 Cb -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.12 3gqn s ALA 622 CO 0.83 0.48 -0.21 0.08 0.00 0.00 0.00 175.76 176.94 3gqn s VAL 623 N -0.46 1.80 -0.26 0.00 1.01 0.32 -1.14 120.40 121.68 3gqn s VAL 623 Ca 0.06 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3gqn s VAL 623 Cb -0.12 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3gqn s VAL 623 CO 0.02 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.52 3gqn s ALA 624 N 0.34 2.59 -0.13 5.51 0.00 -0.62 -0.86 121.76 128.60 3gqn s ALA 624 Ca -0.15 -1.68 0.16 0.00 0.00 0.00 0.00 51.96 50.29 3gqn s ALA 624 Cb -0.17 -1.60 0.41 0.00 0.00 0.00 0.00 23.12 21.76 3gqn s ALA 624 CO 0.07 -1.08 1.19 -0.40 0.00 0.00 0.00 175.76 175.54 3gqn n ASP 625 N 4.50 1.44 -4.02 0.00 5.75 -1.04 -0.10 116.55 123.07 3gqn n ASP 625 Ca -0.15 -3.14 -0.08 0.00 -0.01 0.00 0.00 54.79 51.41 3gqn n ASP 625 Cb 0.44 -0.43 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 3gqn n ASP 625 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3gqn s GLU 626 N -1.98 0.83 0.22 0.11 2.56 -1.26 -4.46 118.70 114.73 3gqn s GLU 626 Ca 0.35 -1.19 -0.31 0.00 0.00 0.00 0.00 54.97 53.83 3gqn s GLU 626 Cb 0.36 0.28 -0.10 0.00 2.00 0.00 0.00 34.13 36.67 3gqn s GLU 626 CO -0.10 -0.24 1.53 1.14 -0.56 0.00 0.00 175.26 177.04 3gqn s GLN 627 N -3.94 4.21 0.00 4.30 -2.07 -1.26 -2.14 119.66 118.77 3gqn s GLN 627 Ca 0.12 2.39 0.00 0.00 -1.82 0.00 0.00 55.36 56.05 3gqn s GLN 627 Cb 0.06 -3.11 0.00 0.00 -1.09 0.00 0.00 33.01 28.87 3gqn s GLN 627 CO -0.06 -0.55 0.00 1.19 -1.32 0.00 0.00 175.29 174.55 3gqn n PHE 628 N 3.07 0.00 -2.33 9.60 3.01 0.73 -1.94 117.46 129.61 3gqn n PHE 628 Ca 0.10 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.16 3gqn n PHE 628 Cb 0.39 -1.57 -0.03 0.00 -0.01 0.00 0.00 39.48 38.25 3gqn n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gqn s ALA 629 N -1.24 3.44 0.02 4.37 0.00 -0.91 -3.49 121.76 123.95 3gqn s ALA 629 Ca 0.00 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 3gqn s ALA 629 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3gqn s ALA 629 CO 0.00 -0.36 0.21 0.00 0.00 0.00 0.00 175.76 175.61 3gqn s ALA 630 N -1.15 -0.43 -0.04 0.00 0.00 0.20 -3.77 121.76 116.57 3gqn s ALA 630 Ca 0.46 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.29 3gqn s ALA 630 Cb -0.35 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3gqn s ALA 630 CO 0.46 -0.32 -0.02 -0.51 0.00 0.00 0.00 175.76 175.38 3gqn s LEU 631 N -1.82 1.24 -0.07 0.00 1.02 -0.62 -1.24 118.68 117.19 3gqn s LEU 631 Ca -0.08 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.02 3gqn s LEU 631 Cb -0.03 -0.31 0.01 0.00 0.02 0.00 0.00 46.19 45.88 3gqn s LEU 631 CO -0.01 -0.08 -0.12 -0.63 0.02 0.00 0.00 176.35 175.52 3gqn s ILE 632 N 0.97 1.17 -1.40 -0.59 1.01 -0.61 -0.12 121.20 121.64 3gqn s ILE 632 Ca -0.11 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 3gqn s ILE 632 Cb -0.14 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.29 3gqn s ILE 632 CO -0.01 0.37 0.82 -1.20 0.00 0.00 0.00 174.94 174.92 3gqn n SER 633 N 3.89 -2.72 -4.41 3.58 7.64 -0.01 -2.33 113.62 119.26 3gqn n SER 633 Ca -0.22 -0.80 -0.30 0.00 1.01 0.00 0.00 58.87 58.56 3gqn n SER 633 Cb 0.52 -4.02 -0.13 0.00 -1.01 0.00 0.00 64.21 59.56 3gqn n SER 633 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gqn s ALA 634 N -3.52 2.46 -0.03 -0.43 0.00 -1.25 -2.50 121.76 116.49 3gqn s ALA 634 Ca 0.27 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 51.06 3gqn s ALA 634 Cb -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3gqn s ALA 634 CO 0.82 0.56 -0.23 -1.12 0.00 0.00 0.00 175.76 175.78 3gqn s SER 635 N -1.41 2.78 -1.29 0.00 0.01 0.18 -1.72 113.70 112.25 3gqn s SER 635 Ca 0.14 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.77 3gqn s SER 635 Cb -0.10 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.69 3gqn s SER 635 CO 0.04 0.27 0.54 0.00 0.41 0.00 0.00 173.24 174.50 3gqn n GLN 636 N 2.65 -1.21 -4.05 12.44 1.13 0.53 -0.28 117.38 128.59 3gqn n GLN 636 Ca -0.16 0.24 -0.11 0.00 -1.94 0.00 0.00 57.00 55.03 3gqn n GLN 636 Cb 0.52 -3.51 -0.11 0.00 0.11 0.00 0.00 30.24 27.25 3gqn n GLN 636 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3gqn s SER 637 N -3.83 0.63 -0.05 1.08 0.01 -0.73 -2.52 113.70 108.29 3gqn s SER 637 Ca 0.31 -0.64 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 3gqn s SER 637 Cb -0.14 0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.20 3gqn s SER 637 CO 0.93 -0.32 -0.01 -0.60 0.41 0.00 0.00 173.24 173.65 3gqn s ARG 638 N -2.09 0.57 -0.31 12.44 3.52 0.31 -0.52 118.95 132.87 3gqn s ARG 638 Ca -0.07 0.04 -0.07 0.00 -0.13 0.00 0.00 55.73 55.49 3gqn s ARG 638 Cb -0.06 -0.77 0.01 0.00 -1.56 0.00 0.00 34.95 32.57 3gqn s ARG 638 CO -0.02 -0.18 0.10 0.00 -0.81 0.00 0.00 175.30 174.39 3gqn s ALA 639 N 1.35 3.10 -0.18 6.12 0.00 -0.04 -0.72 121.76 131.39 3gqn s ALA 639 Ca -0.05 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.44 3gqn s ALA 639 Cb -0.13 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.79 3gqn s ALA 639 CO -0.02 -0.99 0.69 0.43 0.00 0.00 0.00 175.76 175.87 3gqn n SER 640 N 4.88 1.43 -4.89 0.00 7.64 0.70 -2.51 113.62 120.87 3gqn n SER 640 Ca -0.14 -1.34 -0.28 0.00 1.01 0.00 0.00 58.87 58.11 3gqn n SER 640 Cb 0.48 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 3gqn n SER 640 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gqn s GLY 641 N -0.39 1.64 -0.13 0.23 0.00 -1.23 -4.62 107.32 102.83 3gqn s GLY 641 Ca 0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 3gqn s GLY 641 CO 0.02 -0.21 1.24 0.21 0.00 0.00 0.00 173.10 174.36 3gqn s ASN 642 N -3.83 6.98 -1.38 1.64 2.47 -1.24 -3.04 114.94 116.53 3gqn s ASN 642 Ca 0.49 1.73 -0.07 0.00 0.42 0.00 0.00 52.86 55.43 3gqn s ASN 642 Cb -0.10 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.18 3gqn s ASN 642 CO 0.42 -0.70 0.95 1.41 -3.72 0.00 0.00 177.10 175.45 3gqn n HIS 643 N 6.16 -2.31 -3.91 0.43 8.25 -0.82 0.40 115.22 123.41 3gqn n HIS 643 Ca 0.13 0.92 -0.36 0.00 -0.26 0.00 0.00 57.72 58.15 3gqn n HIS 643 Cb 0.45 -4.51 -0.13 0.00 1.12 0.00 0.00 29.99 26.92 3gqn n HIS 643 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3gqn s ASN 644 N -3.77 4.88 -0.10 0.41 2.47 -1.17 -3.48 114.94 114.18 3gqn s ASN 644 Ca 0.36 -0.23 0.03 0.00 0.42 0.00 0.00 52.86 53.44 3gqn s ASN 644 Cb -0.17 -1.85 -0.01 0.00 -1.45 0.00 0.00 41.25 37.77 3gqn s ASN 644 CO 0.79 0.01 -0.19 -0.22 -3.72 0.00 0.00 177.10 173.77 3gqn s LEU 645 N 1.31 2.40 -0.13 3.21 2.96 -0.10 -0.63 118.68 127.71 3gqn s LEU 645 Ca 0.04 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3gqn s LEU 645 Cb -0.15 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3gqn s LEU 645 CO 0.02 0.19 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.56 3gqn s ILE 646 N 0.19 3.89 -0.02 6.68 1.01 -0.37 -0.03 121.20 132.55 3gqn s ILE 646 Ca -0.11 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.20 3gqn s ILE 646 Cb -0.16 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 3gqn s ILE 646 CO 0.06 0.53 -0.14 -0.76 0.00 0.00 0.00 174.94 174.63 3gqn s LEU 647 N -0.00 1.97 -1.18 2.97 1.43 -0.46 -1.57 118.68 121.84 3gqn s LEU 647 Ca 0.01 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 3gqn s LEU 647 Cb -0.13 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 3gqn s LEU 647 CO 0.03 0.16 0.75 -1.20 0.23 0.00 0.00 176.35 176.31 3gqn n SER 648 N 2.87 -4.35 -4.07 2.29 7.64 -0.98 -4.44 113.62 112.58 3gqn n SER 648 Ca -0.15 -0.97 -0.13 0.00 1.01 0.00 0.00 58.87 58.62 3gqn n SER 648 Cb 0.55 -3.55 -0.11 0.00 -1.01 0.00 0.00 64.21 60.08 3gqn n SER 648 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gqn s SER 649 N -3.67 0.93 -0.04 6.43 0.01 -1.06 -4.49 113.70 111.80 3gqn s SER 649 Ca 0.36 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.09 3gqn s SER 649 Cb -0.12 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 3gqn s SER 649 CO 0.85 -0.20 -0.16 -0.47 0.41 0.00 0.00 173.24 173.67 3gqn s TYR 650 N -1.46 1.63 -1.33 2.43 5.04 0.51 0.47 117.35 124.64 3gqn s TYR 650 Ca -0.09 -0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 54.03 3gqn s TYR 650 Cb -0.09 -1.11 0.02 0.00 0.35 0.00 0.00 41.96 41.13 3gqn s TYR 650 CO 0.00 -0.17 0.91 0.41 -1.34 0.00 0.00 175.55 175.35 3gqn n GLY 651 N 3.23 -0.39 3.28 8.97 0.00 0.61 -0.08 105.19 120.81 3gqn n GLY 651 Ca -0.19 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3gqn n GLY 651 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gqn s ILE 652 N -3.47 1.85 -0.13 -0.61 -4.36 -1.22 -3.70 121.20 109.56 3gqn s ILE 652 Ca 0.21 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.47 3gqn s ILE 652 Cb -0.10 -1.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.03 3gqn s ILE 652 CO 0.78 0.39 -0.14 0.20 0.24 0.00 0.00 174.94 176.41 3gqn s ASN 653 N -0.89 3.93 0.04 4.36 0.01 -1.26 -0.53 114.94 120.61 3gqn s ASN 653 Ca 0.09 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 51.93 3gqn s ASN 653 Cb -0.09 -1.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.95 3gqn s ASN 653 CO 0.01 0.16 -0.12 -0.89 -1.51 0.00 0.00 177.10 174.75 3gqn s THR 654 N 0.37 0.90 0.00 1.60 2.01 0.10 -4.93 115.64 115.69 3gqn s THR 654 Ca -0.11 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 60.86 3gqn s THR 654 Cb -0.16 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.49 3gqn s THR 654 CO 0.06 -0.14 0.00 0.41 -0.69 0.00 0.00 174.62 174.26 3gqn n THR 655 N 1.73 0.00 -1.85 -0.82 -1.04 -1.26 -0.21 114.28 110.82 3gqn n THR 655 Ca -0.20 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.45 3gqn n THR 655 Cb 0.55 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.11 3gqn n THR 655 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3gqn s GLY 656 N -0.05 2.75 -0.07 3.41 0.00 -1.26 -3.83 107.32 108.27 3gqn s GLY 656 Ca 0.00 1.08 -0.12 0.00 0.00 0.00 0.00 44.72 45.67 3gqn s GLY 656 CO 0.00 1.48 0.30 -1.35 0.00 0.00 0.00 173.10 173.54 3gqn s SER 657 N -1.56 6.60 -1.37 1.64 1.04 -1.26 -3.70 113.70 115.09 3gqn s SER 657 Ca 0.79 0.71 -0.06 0.00 0.48 0.00 0.00 55.95 57.88 3gqn s SER 657 Cb -0.33 -2.18 0.03 0.00 0.10 0.00 0.00 66.02 63.64 3gqn s SER 657 CO 0.37 0.30 0.91 -1.22 0.98 0.00 0.00 173.24 174.57 3gqn n TYR 658 N 2.28 -2.23 -4.91 5.02 4.02 0.16 -4.64 117.16 116.86 3gqn n TYR 658 Ca -0.15 0.90 -0.32 0.00 -0.01 0.00 0.00 57.90 58.33 3gqn n TYR 658 Cb 0.53 -4.47 -0.14 0.00 -0.02 0.00 0.00 39.34 35.24 3gqn n TYR 658 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3gqn s LYS 659 N -6.14 2.23 -0.15 -0.72 -0.14 -1.23 -0.83 119.74 112.76 3gqn s LYS 659 Ca 0.30 -0.86 -0.04 0.00 -1.36 0.00 0.00 55.97 54.01 3gqn s LYS 659 Cb -0.14 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.76 3gqn s LYS 659 CO 0.79 0.58 -0.02 0.08 -0.76 0.00 0.00 175.35 176.02 3gqn s VAL 660 N -0.77 4.07 0.04 3.17 1.01 0.19 -0.92 120.40 127.20 3gqn s VAL 660 Ca 0.12 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3gqn s VAL 660 Cb -0.10 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3gqn s VAL 660 CO 0.02 0.50 -0.11 0.20 0.00 0.00 0.00 175.10 175.71 3gqn s ASN 661 N 0.20 1.23 0.04 3.32 0.01 0.96 -0.83 114.94 119.87 3gqn s ASN 661 Ca -0.01 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 3gqn s ASN 661 Cb -0.13 -0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.46 3gqn s ASN 661 CO 0.02 -0.07 -0.05 -0.83 -1.51 0.00 0.00 177.10 174.67 3gqn s GLY 662 N -1.26 0.40 -0.03 0.66 0.00 -0.95 -1.36 107.32 104.79 3gqn s GLY 662 Ca -0.03 -0.75 -0.31 0.00 0.00 0.00 0.00 44.72 43.63 3gqn s GLY 662 CO 0.01 -0.81 1.27 -0.32 0.00 0.00 0.00 173.10 173.24 3gqn s GLY 663 N -1.69 -0.40 -0.24 0.20 0.00 -1.26 0.28 107.32 104.21 3gqn s GLY 663 Ca -0.10 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.42 3gqn s GLY 663 CO -0.01 0.17 -0.02 -0.12 0.00 0.00 0.00 173.10 173.12 3gqn s PHE 664 N -2.45 2.24 0.00 1.90 5.36 -1.25 -0.36 117.98 123.41 3gqn s PHE 664 Ca 0.13 -1.71 0.00 0.00 -0.96 0.00 0.00 56.93 54.39 3gqn s PHE 664 Cb 0.04 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 3gqn s PHE 664 CO -0.04 -0.77 0.00 0.39 -1.46 0.00 0.00 175.22 173.34 3gqn n GLU 665 N 4.71 0.00 -4.30 10.12 1.02 0.88 -4.80 120.64 128.28 3gqn n GLU 665 Ca -0.10 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.83 3gqn n GLU 665 Cb 0.44 -0.22 -0.12 0.00 -0.02 0.00 0.00 31.44 31.53 3gqn n GLU 665 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gqn s LYS 666 N 0.00 1.17 0.10 3.49 1.02 -1.26 -4.58 119.74 119.68 3gqn s LYS 666 Ca 0.00 -1.29 -0.31 0.00 0.02 0.00 0.00 55.97 54.40 3gqn s LYS 666 Cb 0.00 -1.26 -0.09 0.00 -0.52 0.00 0.00 37.83 35.96 3gqn s LYS 666 CO 0.00 0.27 1.74 0.42 -0.92 0.00 0.00 175.35 176.86 3gqn s ILE 667 N -1.76 2.76 -0.07 2.17 1.01 -1.26 -4.37 121.20 119.69 3gqn s ILE 667 Ca 0.11 0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.11 3gqn s ILE 667 Cb -0.07 -3.16 -0.13 0.00 0.01 0.00 0.00 42.46 39.10 3gqn s ILE 667 CO 0.05 -0.00 0.10 0.59 0.00 0.00 0.00 174.94 175.68 3gqn n ASN 668 N 5.61 2.68 -3.94 3.58 5.03 0.14 -4.83 115.26 123.53 3gqn n ASN 668 Ca 0.17 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.52 3gqn n ASN 668 Cb 0.39 0.98 -0.10 0.00 -1.02 0.00 0.00 39.78 40.04 3gqn n ASN 668 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3gqn s TRP 669 N -2.39 0.22 -0.04 3.10 1.48 -0.90 -0.46 118.94 119.94 3gqn s TRP 669 Ca -0.04 -0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 54.48 3gqn s TRP 669 Cb 0.04 -0.16 0.03 0.00 -1.16 0.00 0.00 33.47 32.22 3gqn s TRP 669 CO 0.40 -0.32 0.08 -2.00 -4.06 0.00 0.00 176.95 171.04 3gqn s GLU 670 N -2.31 0.01 -0.42 3.25 2.12 -0.18 -2.23 118.70 118.94 3gqn s GLU 670 Ca -0.08 0.27 -0.11 0.00 0.36 0.00 0.00 54.97 55.41 3gqn s GLU 670 Cb -0.03 -0.23 0.07 0.00 0.26 0.00 0.00 34.13 34.20 3gqn s GLU 670 CO -0.03 -0.17 0.29 -0.51 -0.54 0.00 0.00 175.26 174.29 3gqn s LEU 671 N 1.16 5.20 -0.57 2.70 1.43 -0.01 -1.25 118.68 127.34 3gqn s LEU 671 Ca -0.09 -1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 51.43 3gqn s LEU 671 Cb -0.12 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.11 3gqn s LEU 671 CO -0.04 -0.54 0.83 -0.62 0.23 0.00 0.00 176.35 176.21 3gqn s ASP 672 N 2.14 6.25 0.45 2.29 3.68 0.09 -0.64 116.67 130.93 3gqn s ASP 672 Ca 0.03 -0.79 0.24 0.00 2.13 0.00 0.00 52.55 54.16 3gqn s ASP 672 Cb -0.23 -2.37 0.94 0.00 -1.45 0.00 0.00 42.92 39.81 3gqn s ASP 672 CO 0.04 -1.17 1.84 0.28 0.13 0.00 0.00 175.17 176.29 3gqn h SER 673 N 9.27 0.00 0.18 -0.34 0.02 -1.28 -1.08 113.55 120.32 3gqn h SER 673 Ca -0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3gqn h SER 673 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3gqn h SER 673 CO 1.08 0.22 -0.09 0.25 -1.14 0.00 0.00 176.83 177.15 3gqn h LEU 674 N 0.00 -0.20 0.00 5.07 6.46 -1.82 -3.37 115.31 121.44 3gqn h LEU 674 Ca -0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 3gqn h LEU 674 Cb 0.73 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 3gqn h LEU 674 CO 0.03 0.32 -1.13 0.59 -0.62 0.00 0.00 178.44 177.63 3gqn n ASN 675 N -4.95 0.81 -1.16 1.25 3.02 -1.25 -5.01 115.26 107.98 3gqn n ASN 675 Ca -0.08 -0.78 -0.02 0.00 -0.03 0.00 0.00 54.58 53.68 3gqn n ASN 675 Cb 0.26 1.18 0.01 0.00 -0.61 0.00 0.00 39.78 40.63 3gqn n ASN 675 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gqn n GLY 676 N 1.44 0.45 3.40 7.41 0.00 -0.44 -5.08 105.19 112.38 3gqn n GLY 676 Ca 0.02 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 3gqn n GLY 676 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqn s ARG 677 N -4.36 2.21 -0.15 1.61 0.52 -1.03 -4.98 118.95 112.77 3gqn s ARG 677 Ca 0.01 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 3gqn s ARG 677 Cb -0.01 -2.18 -0.00 0.00 0.52 0.00 0.00 34.95 33.28 3gqn s ARG 677 CO 0.08 0.57 -0.15 0.42 0.02 0.00 0.00 175.30 176.24 3gqn s ILE 678 N -0.73 2.69 -0.06 1.52 1.01 -1.26 -0.73 121.20 123.64 3gqn s ILE 678 Ca 0.12 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3gqn s ILE 678 Cb -0.10 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3gqn s ILE 678 CO 0.01 0.52 -0.14 -0.54 0.00 0.00 0.00 174.94 174.78 3gqn s LYS 679 N 0.76 1.78 -0.04 2.79 1.02 -0.38 -4.99 119.74 120.67 3gqn s LYS 679 Ca -0.06 -0.50 0.06 0.00 0.02 0.00 0.00 55.97 55.49 3gqn s LYS 679 Cb -0.15 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.66 3gqn s LYS 679 CO 0.01 0.11 -0.21 0.00 -0.92 0.00 0.00 175.35 174.33 3gqn s ALA 680 N 0.42 1.85 0.17 5.17 0.00 -1.26 -1.01 121.76 127.10 3gqn s ALA 680 Ca -0.11 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 3gqn s ALA 680 Cb -0.14 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.47 3gqn s ALA 680 CO 0.04 0.37 1.62 -0.09 0.00 0.00 0.00 175.76 177.70 3gqn h ARG 681 N 6.01 1.03 0.00 0.00 2.43 -1.09 -3.44 114.38 119.32 3gqn h ARG 681 Ca -0.34 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3gqn h ARG 681 Cb 1.16 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3gqn h ARG 681 CO 0.47 1.03 0.00 -3.47 -1.51 0.00 0.00 179.97 176.49 3gqn n ASP 682 N -4.20 0.00 -4.92 -3.80 2.03 -1.26 -5.10 116.55 99.30 3gqn n ASP 682 Ca 0.02 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.05 3gqn n ASP 682 Cb 0.36 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.72 3gqn n ASP 682 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gqn s THR 683 N 3.15 5.19 -0.16 5.18 -4.23 -1.26 -5.09 115.64 118.43 3gqn s THR 683 Ca 0.00 -0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 3gqn s THR 683 Cb 0.00 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.12 3gqn s THR 683 CO 0.00 -0.12 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.20 3gqn s VAL 684 N -1.82 3.52 0.09 2.29 1.01 -1.26 -4.92 120.40 119.32 3gqn s VAL 684 Ca 0.39 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3gqn s VAL 684 Cb -0.11 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3gqn s VAL 684 CO 0.28 0.49 -0.22 0.42 0.00 0.00 0.00 175.10 176.07 3gqn s THR 685 N 0.52 1.82 0.09 3.92 -4.23 -1.26 -5.15 115.64 111.36 3gqn s THR 685 Ca -0.05 -1.51 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 3gqn s THR 685 Cb -0.15 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.07 3gqn s THR 685 CO 0.03 0.04 0.26 -0.83 -0.54 0.00 0.00 174.62 173.58 3gqn s GLY 686 N -1.77 -0.04 0.00 3.99 0.00 -1.26 -5.12 107.32 103.13 3gqn s GLY 686 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3gqn s GLY 686 CO 0.04 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.16 3gqn n GLY 687 N -0.04 -2.30 3.24 0.20 0.00 -1.26 -4.64 105.19 100.39 3gqn n GLY 687 Ca -0.16 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 3gqn n GLY 687 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqn s ASN 688 N -3.15 1.52 0.00 1.61 2.20 -1.26 -5.05 114.94 110.81 3gqn s ASN 688 Ca 0.00 -1.07 0.00 0.00 -0.94 0.00 0.00 52.86 50.85 3gqn s ASN 688 Cb 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 3gqn s ASN 688 CO 0.00 -0.43 0.00 0.41 -2.94 0.00 0.00 177.10 174.14 3gqn n THR 689 N -0.19 0.00 -3.80 0.54 -1.04 -1.26 -3.39 114.28 105.13 3gqn n THR 689 Ca -0.09 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.56 3gqn n THR 689 Cb 0.62 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.01 3gqn n THR 689 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3gqn s TRP 690 N 0.00 3.18 0.31 -1.42 -2.14 -1.26 -5.08 118.94 112.53 3gqn s TRP 690 Ca 0.00 -0.11 0.03 0.00 2.66 0.00 0.00 56.10 58.68 3gqn s TRP 690 Cb 0.00 -2.22 -0.04 0.00 -3.10 0.00 0.00 33.47 28.11 3gqn s TRP 690 CO 0.00 -0.12 0.13 0.45 -2.66 0.00 0.00 176.95 174.75 3gqn s SER 691 N 1.19 1.74 0.16 -2.66 0.15 -1.22 -4.85 113.70 108.22 3gqn s SER 691 Ca 0.05 -1.51 -0.16 0.00 0.70 0.00 0.00 55.95 55.03 3gqn s SER 691 Cb -0.14 0.29 0.03 0.00 -1.71 0.00 0.00 66.02 64.49 3gqn s SER 691 CO 0.04 -0.82 0.44 1.51 1.20 0.00 0.00 173.24 175.61 3gqn s ASP 692 N -3.41 -0.21 -0.16 5.45 -4.77 -1.20 -2.82 116.67 109.55 3gqn s ASP 692 Ca 0.34 -0.47 -0.18 0.00 -3.30 0.00 0.00 52.55 48.95 3gqn s ASP 692 Cb 0.06 0.52 -0.04 0.00 -1.09 0.00 0.00 42.92 42.37 3gqn s ASP 692 CO 0.16 -0.95 0.49 -0.36 0.70 0.00 0.00 175.17 175.20 3gqn s PHE 693 N -3.86 3.45 0.27 2.11 0.40 0.28 -1.63 117.98 119.00 3gqn s PHE 693 Ca 0.08 0.83 0.02 0.00 -0.60 0.00 0.00 56.93 57.25 3gqn s PHE 693 Cb 0.01 -2.60 -0.05 0.00 0.51 0.00 0.00 43.02 40.89 3gqn s PHE 693 CO -0.06 0.05 0.08 0.00 0.70 0.00 0.00 175.22 175.99 3gqn s ALA 694 N 1.07 1.84 -0.06 5.36 0.00 0.40 -0.70 121.76 129.67 3gqn s ALA 694 Ca 0.25 -1.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 3gqn s ALA 694 Cb -0.15 0.90 0.02 0.00 0.00 0.00 0.00 23.12 23.89 3gqn s ALA 694 CO 0.10 -0.40 0.26 -2.00 0.00 0.00 0.00 175.76 173.72 3gqn s GLU 695 N -3.99 0.45 0.04 0.00 2.12 -0.58 -1.85 118.70 114.90 3gqn s GLU 695 Ca 0.36 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 3gqn s GLU 695 Cb 0.08 0.21 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 3gqn s GLU 695 CO 0.13 -0.09 1.29 0.71 -0.54 0.00 0.00 175.26 176.76 3gqn s TYR 696 N -0.55 3.21 0.17 5.30 1.51 -0.98 -1.27 117.35 124.73 3gqn s TYR 696 Ca -0.07 1.09 0.09 0.00 -1.01 0.00 0.00 57.07 57.18 3gqn s TYR 696 Cb -0.04 -3.53 -0.04 0.00 -0.11 0.00 0.00 41.96 38.24 3gqn s TYR 696 CO 0.02 -1.80 -0.19 -0.06 -1.11 0.00 0.00 175.55 172.41 3gqn s PHE 697 N 1.60 1.87 -0.14 2.71 0.40 0.44 -4.93 117.98 119.93 3gqn s PHE 697 Ca 0.61 -0.46 -0.06 0.00 -0.60 0.00 0.00 56.93 56.43 3gqn s PHE 697 Cb -0.31 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 3gqn s PHE 697 CO 0.27 0.34 0.06 -2.00 0.70 0.00 0.00 175.22 174.60 3gqn s GLU 698 N -2.76 3.55 0.19 0.44 2.12 -1.26 0.39 118.70 121.37 3gqn s GLU 698 Ca 0.16 -0.32 -0.28 0.00 0.36 0.00 0.00 54.97 54.90 3gqn s GLU 698 Cb -0.06 -3.08 -0.08 0.00 0.26 0.00 0.00 34.13 31.17 3gqn s GLU 698 CO 0.07 0.52 0.85 -1.54 -0.54 0.00 0.00 175.26 174.62 3gqn s SER 699 N -0.33 7.50 0.13 -1.70 1.04 0.67 -0.34 113.70 120.67 3gqn s SER 699 Ca 0.09 1.78 -0.31 0.00 0.48 0.00 0.00 55.95 57.98 3gqn s SER 699 Cb -0.12 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.35 3gqn s SER 699 CO 0.02 0.17 1.75 -0.22 0.98 0.00 0.00 173.24 175.93 3gqn s LEU 700 N -1.08 4.38 0.00 2.42 2.96 -0.42 -2.01 118.68 124.93 3gqn s LEU 700 Ca 0.39 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 57.00 3gqn s LEU 700 Cb -0.24 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.87 3gqn s LEU 700 CO 0.29 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 174.97 3gqn n GLY 701 N 4.09 1.77 1.87 7.98 0.00 -1.26 -3.56 105.19 116.07 3gqn n GLY 701 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gqn n GLY 701 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqn n GLY 702 N -2.00 0.42 3.74 -0.02 0.00 -0.85 -5.04 105.19 101.44 3gqn n GLY 702 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 3gqn n GLY 702 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqn s GLN 703 N -2.00 2.08 -0.17 1.61 -0.21 -1.23 -4.48 119.66 115.27 3gqn s GLN 703 Ca 0.00 1.43 -0.17 0.00 0.02 0.00 0.00 55.36 56.64 3gqn s GLN 703 Cb 0.00 -1.86 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 3gqn s GLN 703 CO 0.00 -1.81 0.42 0.08 -2.12 0.00 0.00 175.29 171.86 3gqn s VAL 704 N -2.52 5.20 -0.24 1.09 1.01 -1.26 -4.65 120.40 119.03 3gqn s VAL 704 Ca 0.67 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 63.39 3gqn s VAL 704 Cb -0.22 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 3gqn s VAL 704 CO 0.51 0.28 -0.01 -0.63 0.00 0.00 0.00 175.10 175.24 3gqn s ILE 705 N 1.05 3.53 0.75 2.22 1.01 -1.26 -5.10 121.20 123.39 3gqn s ILE 705 Ca 0.21 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.20 3gqn s ILE 705 Cb -0.15 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.71 3gqn s ILE 705 CO 0.08 0.34 1.13 -1.61 0.00 0.00 0.00 174.94 174.88 3gqn s GLU 706 N 1.48 2.20 0.47 2.79 8.01 -1.26 -4.97 118.70 127.42 3gqn s GLU 706 Ca 0.05 1.43 -0.24 0.00 0.01 0.00 0.00 54.97 56.22 3gqn s GLU 706 Cb -0.15 -1.87 -0.07 0.00 -4.31 0.00 0.00 34.13 27.73 3gqn s GLU 706 CO -0.02 -1.72 1.28 0.95 0.01 0.00 0.00 175.26 175.77 3gqn s THR 707 N -2.48 2.57 0.00 3.63 -4.23 -1.26 -3.25 115.64 110.63 3gqn s THR 707 Ca 0.67 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 3gqn s THR 707 Cb -0.22 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.37 3gqn s THR 707 CO 0.49 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 3gqn n GLY 708 N 0.61 0.43 3.79 3.99 0.00 -0.83 -4.88 105.19 108.31 3gqn n GLY 708 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3gqn n GLY 708 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqn s TYR 709 N -2.16 3.75 -0.15 1.61 1.51 -1.20 -0.56 117.35 120.16 3gqn s TYR 709 Ca 0.00 1.23 -0.27 0.00 -1.01 0.00 0.00 57.07 57.01 3gqn s TYR 709 Cb 0.00 -2.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 3gqn s TYR 709 CO 0.00 0.50 0.92 -0.51 -1.11 0.00 0.00 175.55 175.34 3gqn s LEU 710 N -0.74 4.20 0.15 -1.29 1.43 0.13 -1.31 118.68 121.25 3gqn s LEU 710 Ca 0.29 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.79 3gqn s LEU 710 Cb -0.19 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3gqn s LEU 710 CO 0.18 -0.44 0.01 0.68 0.23 0.00 0.00 176.35 177.01 3gqn s VAL 711 N 2.17 3.85 0.32 -1.59 -7.23 -0.12 -0.02 120.40 117.78 3gqn s VAL 711 Ca 0.43 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 3gqn s VAL 711 Cb -0.17 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 3gqn s VAL 711 CO 0.14 -0.06 0.07 1.07 -0.31 0.00 0.00 175.10 176.01 3gqn n THR 712 N 0.02 0.00 -4.67 5.32 5.66 0.13 -1.57 114.28 119.18 3gqn n THR 712 Ca -0.10 -1.72 -0.31 0.00 -3.05 0.00 0.00 64.05 58.87 3gqn n THR 712 Cb 0.54 0.52 -0.12 0.00 -1.55 0.00 0.00 70.33 69.72 3gqn n THR 712 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3gqn s LEU 713 N 0.00 2.70 -0.17 1.09 1.43 -1.26 -1.89 118.68 120.58 3gqn s LEU 713 Ca 0.09 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3gqn s LEU 713 Cb 0.00 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.73 3gqn s LEU 713 CO 0.07 0.27 0.37 -0.70 0.23 0.00 0.00 176.35 176.59 3gqn s GLU 714 N -1.34 0.28 -1.44 1.70 2.12 0.60 -4.89 118.70 115.73 3gqn s GLU 714 Ca 0.15 0.92 -0.09 0.00 0.36 0.00 0.00 54.97 56.30 3gqn s GLU 714 Cb -0.11 0.18 0.05 0.00 0.26 0.00 0.00 34.13 34.52 3gqn s GLU 714 CO 0.05 -0.25 0.96 1.63 -0.54 0.00 0.00 175.26 177.11 3gqn n LYS 715 N 5.23 -5.91 -0.99 4.30 5.02 -1.26 -2.37 118.16 122.19 3gqn n LYS 715 Ca -0.10 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3gqn n LYS 715 Cb 0.50 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 3gqn n LYS 715 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqn n GLY 716 N -1.70 0.35 3.22 0.72 0.00 -1.26 -5.00 105.19 101.52 3gqn n GLY 716 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 3gqn n GLY 716 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqn s LYS 717 N -0.67 0.96 0.14 1.61 1.02 -1.00 -4.80 119.74 117.00 3gqn s LYS 717 Ca 0.00 -1.16 -0.23 0.00 0.02 0.00 0.00 55.97 54.61 3gqn s LYS 717 Cb 0.00 -0.86 -0.08 0.00 -0.52 0.00 0.00 37.83 36.37 3gqn s LYS 717 CO 0.00 0.17 0.71 0.96 -0.92 0.00 0.00 175.35 176.27 3gqn s ILE 718 N -1.92 4.51 0.16 2.17 -4.36 0.54 -0.30 121.20 122.01 3gqn s ILE 718 Ca 0.06 1.50 -0.04 0.00 -0.26 0.00 0.00 60.65 61.91 3gqn s ILE 718 Cb -0.06 -4.03 -0.03 0.00 1.25 0.00 0.00 42.46 39.59 3gqn s ILE 718 CO 0.03 0.49 0.15 0.00 0.24 0.00 0.00 174.94 175.85 3gqn s ARG 719 N -1.24 1.07 0.25 0.37 1.70 -0.79 -1.30 118.95 119.00 3gqn s ARG 719 Ca 0.35 -1.39 -0.31 0.00 -0.47 0.00 0.00 55.73 53.90 3gqn s ARG 719 Cb -0.21 0.29 -0.13 0.00 -0.57 0.00 0.00 34.95 34.33 3gqn s ARG 719 CO 0.23 -0.34 1.47 1.63 -1.08 0.00 0.00 175.30 177.21 3gqn n LYS 720 N -0.17 2.23 -2.48 3.89 5.02 -1.26 0.19 118.16 125.58 3gqn n LYS 720 Ca -0.04 0.79 -0.40 0.00 -2.02 0.00 0.00 58.31 56.63 3gqn n LYS 720 Cb 0.64 -2.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.12 3gqn n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gqn s ALA 721 N -0.00 3.40 0.53 7.82 0.00 0.96 -4.56 121.76 129.92 3gqn s ALA 721 Ca 0.67 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.57 3gqn s ALA 721 Cb -0.61 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.21 3gqn s ALA 721 CO 0.49 -0.18 0.42 -1.21 0.00 0.00 0.00 175.76 175.28 3gqn s GLU 722 N -1.15 2.28 0.24 0.00 0.41 -1.26 -0.92 118.70 118.29 3gqn s GLU 722 Ca 0.46 -1.95 -0.31 0.00 -0.41 0.00 0.00 54.97 52.75 3gqn s GLU 722 Cb -0.31 -2.15 -0.13 0.00 -1.78 0.00 0.00 34.13 29.75 3gqn s GLU 722 CO 0.39 -0.58 1.45 1.17 -0.49 0.00 0.00 175.26 177.20 3gqn n LYS 723 N -1.76 2.12 -0.04 1.61 4.81 -0.83 -2.05 118.16 122.02 3gqn n LYS 723 Ca -0.00 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3gqn n LYS 723 Cb 0.64 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.25 3gqn n LYS 723 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gqn n GLY 724 N 2.30 2.10 3.86 3.14 0.00 -1.26 -4.99 105.19 110.35 3gqn n GLY 724 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3gqn n GLY 724 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqn s GLU 725 N -0.01 3.79 -0.12 1.61 2.02 -0.87 -5.02 118.70 120.10 3gqn s GLU 725 Ca 0.00 0.73 -0.30 0.00 0.02 0.00 0.00 54.97 55.42 3gqn s GLU 725 Cb 0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 3gqn s GLU 725 CO 0.00 -0.28 1.12 0.15 0.02 0.00 0.00 175.26 176.27 3gqn s LYS 726 N -4.33 4.34 -0.25 1.61 1.02 -1.26 -4.86 119.74 116.02 3gqn s LYS 726 Ca 0.55 1.53 -0.24 0.00 0.02 0.00 0.00 55.97 57.83 3gqn s LYS 726 Cb -0.10 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 3gqn s LYS 726 CO 0.38 -0.47 0.80 0.42 -0.92 0.00 0.00 175.35 175.56 3gqn s ILE 727 N 2.49 4.85 -0.61 2.17 1.01 -1.26 -4.40 121.20 125.45 3gqn s ILE 727 Ca 0.51 1.48 0.22 0.00 0.00 0.00 0.00 60.65 62.87 3gqn s ILE 727 Cb -0.20 -4.09 -0.21 0.00 0.01 0.00 0.00 42.46 37.96 3gqn s ILE 727 CO 0.17 -0.07 0.85 2.30 0.00 0.00 0.00 174.94 178.19 3gqn n ILE 728 N 5.27 0.06 -3.59 2.92 -6.64 -0.61 -5.03 119.36 111.74 3gqn n ILE 728 Ca 0.05 -0.21 0.00 0.00 -1.77 0.00 0.00 62.75 60.81 3gqn n ILE 728 Cb 0.48 0.44 0.00 0.00 -1.44 0.00 0.00 39.64 39.12 3gqn n ILE 728 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3gqn n GLY 729 N 1.39 -0.74 3.01 3.28 0.00 -1.24 -4.70 105.19 106.18 3gqn n GLY 729 Ca 0.01 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 3gqn n GLY 729 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqn s VAL 730 N -2.95 0.70 0.09 1.61 1.01 -1.06 -0.94 120.40 118.86 3gqn s VAL 730 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 3gqn s VAL 730 Cb 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 36.38 35.66 3gqn s VAL 730 CO 0.00 0.21 1.81 -0.38 0.00 0.00 0.00 175.10 176.74 3gqn n ILE 731 N 3.04 0.36 -4.96 2.22 2.08 -0.43 -0.67 119.36 120.99 3gqn n ILE 731 Ca -0.15 -0.06 -0.30 0.00 0.56 0.00 0.00 62.75 62.79 3gqn n ILE 731 Cb 0.56 -2.00 -0.15 0.00 -0.75 0.00 0.00 39.64 37.30 3gqn n ILE 731 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3gqn s SER 732 N 2.71 3.16 0.00 4.38 0.15 0.05 -1.97 113.70 122.19 3gqn s SER 732 Ca 0.83 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.93 3gqn s SER 732 Cb -0.54 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 63.48 3gqn s SER 732 CO 0.40 0.27 0.45 1.21 1.20 0.00 0.00 173.24 176.76 3gqn n GLU 733 N 1.87 0.83 -1.95 5.44 2.13 -1.26 -4.64 120.64 123.06 3gqn n GLU 733 Ca -0.17 -0.47 -0.03 0.00 0.66 0.00 0.00 57.16 57.16 3gqn n GLU 733 Cb 0.52 -0.93 0.06 0.00 0.27 0.00 0.00 31.44 31.36 3gqn n GLU 733 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3gqn n THR 734 N -0.15 1.30 -2.15 6.31 -2.24 -1.26 -5.08 114.28 111.01 3gqn n THR 734 Ca 0.01 -2.68 -0.41 0.00 -2.27 0.00 0.00 64.05 58.70 3gqn n THR 734 Cb 0.04 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 3gqn n THR 734 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqn s ALA 735 N -2.59 3.57 -0.08 6.98 0.00 -1.26 -3.26 121.76 125.11 3gqn s ALA 735 Ca 0.35 1.18 -0.08 0.00 0.00 0.00 0.00 51.96 53.41 3gqn s ALA 735 Cb 0.37 -3.51 -0.28 0.00 0.00 0.00 0.00 23.12 19.69 3gqn s ALA 735 CO -0.07 -0.61 0.54 0.78 0.00 0.00 0.00 175.76 176.40 3gqn h GLY 736 N 5.54 0.36 -5.87 0.00 0.00 -1.57 -3.44 103.07 98.09 3gqn h GLY 736 Ca -0.45 -0.92 -0.58 0.00 0.00 0.00 0.00 47.33 45.38 3gqn h GLY 736 CO 0.79 0.81 -0.84 -1.36 0.00 0.00 0.00 176.54 175.95 3gqn s PHE 737 N -2.57 1.91 0.01 5.60 0.08 -1.18 -4.47 117.98 117.35 3gqn s PHE 737 Ca -0.18 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.06 3gqn s PHE 737 Cb 0.06 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 3gqn s PHE 737 CO 0.81 -0.42 -0.10 0.54 -0.10 0.00 0.00 175.22 175.96 3gqn s VAL 738 N 0.82 0.80 0.10 -0.44 0.11 -1.26 -0.45 120.40 120.07 3gqn s VAL 738 Ca -0.10 -0.61 0.05 0.00 -2.93 0.00 0.00 61.98 58.38 3gqn s VAL 738 Cb -0.16 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3gqn s VAL 738 CO 0.01 0.10 0.02 -0.76 -3.33 0.00 0.00 175.10 171.14 3gqn s LEU 739 N -0.58 3.55 -0.51 2.54 1.43 -0.77 -4.81 118.68 119.53 3gqn s LEU 739 Ca 0.02 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3gqn s LEU 739 Cb -0.05 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3gqn s LEU 739 CO 0.00 0.17 0.44 0.61 0.23 0.00 0.00 176.35 177.79 3gqn n GLY 740 N 0.47 0.31 0.16 -3.19 0.00 -1.26 -2.31 105.19 99.37 3gqn n GLY 740 Ca -0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 3gqn n GLY 740 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gqn h GLU 741 N -0.96 0.39 -6.34 1.61 5.08 -1.97 -3.41 114.58 108.97 3gqn h GLU 741 Ca -0.22 -0.38 -0.47 0.00 -1.00 0.00 0.00 59.36 57.29 3gqn h GLU 741 Cb 1.14 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3gqn h GLU 741 CO 0.21 1.04 -0.86 0.43 -1.00 0.00 0.00 179.01 178.83 3gqn n SER 742 N -3.77 -0.75 0.05 1.42 7.64 -1.26 -3.84 113.62 113.11 3gqn n SER 742 Ca -0.05 -0.93 -0.04 0.00 1.01 0.00 0.00 58.87 58.86 3gqn n SER 742 Cb 0.78 -3.44 0.19 0.00 -1.01 0.00 0.00 64.21 60.73 3gqn n SER 742 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3gqn h SER 743 N -1.85 0.38 0.00 6.43 4.64 -2.00 -3.37 113.55 117.79 3gqn h SER 743 Ca -0.62 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 3gqn h SER 743 Cb 1.37 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gqn h SER 743 CO 0.60 0.73 -0.01 -0.26 -0.87 0.00 0.00 176.83 177.02 3gqn h PHE 744 N 0.31 0.00 -2.42 4.77 -1.00 -2.04 -3.48 116.94 113.06 3gqn h PHE 744 Ca 0.03 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.27 3gqn h PHE 744 Cb 0.82 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 40.24 3gqn h PHE 744 CO 0.02 0.00 -0.55 -1.21 -1.61 0.00 0.00 178.31 174.96 3gqn s GLU 745 N -1.33 1.85 0.45 1.51 2.02 -1.26 -5.10 118.70 116.85 3gqn s GLU 745 Ca -0.00 -2.10 -0.25 0.00 0.02 0.00 0.00 54.97 52.64 3gqn s GLU 745 Cb 0.00 -0.85 -0.09 0.00 0.10 0.00 0.00 34.13 33.29 3gqn s GLU 745 CO 0.01 -0.34 1.39 1.87 0.02 0.00 0.00 175.26 178.21 3gqn n TRP 746 N -0.86 2.54 0.08 1.61 -0.00 -1.26 -4.78 117.44 114.76 3gqn n TRP 746 Ca -0.06 0.45 0.05 0.00 -0.00 0.00 0.00 57.50 57.94 3gqn n TRP 746 Cb 0.66 -2.43 0.47 0.00 -0.00 0.00 0.00 31.31 30.01 3gqn n TRP 746 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 177.69 177.13 3gqn h GLN 747 N 2.19 0.38 -0.54 5.87 -0.00 -1.98 -2.62 115.11 118.40 3gqn h GLN 747 Ca -0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 3gqn h GLN 747 Cb 1.28 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 3gqn h GLN 747 CO 0.60 0.27 0.00 0.41 -0.00 0.00 0.00 178.83 180.12 3gqn n GLY 748 N -1.44 1.56 0.17 0.06 0.00 -1.26 -4.34 105.19 99.94 3gqn n GLY 748 Ca 0.01 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.63 3gqn n GLY 748 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqn h ALA 749 N 3.74 1.00 -4.10 4.61 0.00 -1.83 -3.42 119.26 119.25 3gqn h ALA 749 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3gqn h ALA 749 Cb 0.85 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.38 3gqn h ALA 749 CO 0.08 0.00 -0.84 0.08 0.00 0.00 0.00 179.25 178.57 3gqn s VAL 750 N -3.43 1.62 0.05 0.00 1.01 -1.26 -1.97 120.40 116.41 3gqn s VAL 750 Ca 0.03 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 3gqn s VAL 750 Cb 0.09 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 3gqn s VAL 750 CO 0.42 0.24 1.22 -0.76 0.00 0.00 0.00 175.10 176.22 3gqn s LEU 751 N -1.05 4.36 0.07 3.92 1.43 0.10 -4.70 118.68 122.81 3gqn s LEU 751 Ca 0.07 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.28 3gqn s LEU 751 Cb -0.09 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 3gqn s LEU 751 CO 0.01 -0.51 -0.22 -0.54 0.23 0.00 0.00 176.35 175.33 3gqn s LYS 752 N 1.23 1.39 0.72 1.70 1.02 -1.26 -1.31 119.74 123.23 3gqn s LYS 752 Ca 0.59 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.41 3gqn s LYS 752 Cb -0.30 -1.58 0.17 0.00 -0.52 0.00 0.00 37.83 35.61 3gqn s LYS 752 CO 0.28 0.39 0.78 0.27 -0.92 0.00 0.00 175.35 176.16 3gqn n ASN 753 N 1.57 -0.88 0.31 2.83 0.23 0.18 -4.86 115.26 114.65 3gqn n ASN 753 Ca -0.18 -1.11 0.21 0.00 -0.53 0.00 0.00 54.58 52.97 3gqn n ASN 753 Cb 0.53 -0.66 1.02 0.00 -2.08 0.00 0.00 39.78 38.59 3gqn n ASN 753 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gqn h GLU 754 N 0.00 0.00 -0.16 -3.83 4.11 -2.02 -1.67 114.58 111.01 3gqn h GLU 754 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3gqn h GLU 754 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3gqn h GLU 754 CO 0.19 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.46 3gqn n PHE 755 N -3.05 0.19 -0.35 2.06 3.72 -1.26 -4.94 117.46 113.82 3gqn n PHE 755 Ca -0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3gqn n PHE 755 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3gqn n PHE 755 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqn n GLY 756 N 1.38 0.70 3.77 1.37 0.00 -0.63 -5.05 105.19 106.72 3gqn n GLY 756 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3gqn n GLY 756 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqn s GLY 757 N -1.39 2.96 0.23 -0.02 0.00 -1.26 -4.68 107.32 103.17 3gqn s GLY 757 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 3gqn s GLY 757 CO 0.00 1.22 1.32 -0.42 0.00 0.00 0.00 173.10 175.21 3gqn s ILE 758 N -1.36 3.07 0.00 0.90 1.01 -1.26 0.51 121.20 124.07 3gqn s ILE 758 Ca 0.47 0.91 -0.16 0.00 0.00 0.00 0.00 60.65 61.88 3gqn s ILE 758 Cb -0.25 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 3gqn s ILE 758 CO 0.32 0.15 0.43 -0.63 0.00 0.00 0.00 174.94 175.21 3gqn s ILE 759 N -0.13 5.00 0.28 2.92 1.01 -0.43 -4.83 121.20 125.03 3gqn s ILE 759 Ca 0.55 0.89 0.11 0.00 0.00 0.00 0.00 60.65 62.21 3gqn s ILE 759 Cb -0.38 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 3gqn s ILE 759 CO 0.41 0.56 -0.16 -0.31 0.00 0.00 0.00 174.94 175.43 3gqn s TYR 760 N -0.94 2.20 0.02 3.97 1.51 -1.26 -1.29 117.35 121.54 3gqn s TYR 760 Ca 0.24 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 3gqn s TYR 760 Cb -0.17 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 3gqn s TYR 760 CO 0.14 0.61 -0.22 -1.83 -1.11 0.00 0.00 175.55 173.14 3gqn s GLU 761 N -3.56 1.65 -0.19 -0.62 -1.05 0.14 -4.88 118.70 110.18 3gqn s GLU 761 Ca 0.29 -0.90 -0.26 0.00 -0.15 0.00 0.00 54.97 53.95 3gqn s GLU 761 Cb -0.02 -1.69 -0.01 0.00 -0.44 0.00 0.00 34.13 31.97 3gqn s GLU 761 CO 0.14 0.45 0.90 -1.21 0.95 0.00 0.00 175.26 176.49 3gqn s GLU 762 N -0.88 4.28 -0.05 -4.83 2.02 -1.26 0.49 118.70 118.47 3gqn s GLU 762 Ca 0.09 1.12 0.06 0.00 0.02 0.00 0.00 54.97 56.26 3gqn s GLU 762 Cb -0.09 -3.60 -0.01 0.00 0.10 0.00 0.00 34.13 30.53 3gqn s GLU 762 CO 0.01 -0.44 -0.24 0.08 0.02 0.00 0.00 175.26 174.69 3gqn s VAL 763 N 2.53 2.20 -0.32 2.63 1.01 0.79 -4.96 120.40 124.28 3gqn s VAL 763 Ca 0.40 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3gqn s VAL 763 Cb -0.16 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.48 3gqn s VAL 763 CO 0.10 0.57 0.05 -0.89 0.00 0.00 0.00 175.10 174.94 3gqn s THR 764 N -0.28 3.20 0.60 3.92 2.01 -1.26 -0.93 115.64 122.90 3gqn s THR 764 Ca 0.00 -1.43 -0.20 0.00 0.31 0.00 0.00 61.69 60.37 3gqn s THR 764 Cb -0.13 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3gqn s THR 764 CO 0.03 -0.21 1.33 -0.89 -0.69 0.00 0.00 174.62 174.18 3gqn s THR 765 N 1.27 2.05 0.28 -0.82 2.01 0.88 -4.87 115.64 116.44 3gqn s THR 765 Ca -0.02 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 3gqn s THR 765 Cb -0.20 -3.02 0.39 0.00 0.01 0.00 0.00 72.50 69.69 3gqn s THR 765 CO -0.01 -0.00 1.58 -0.08 -0.69 0.00 0.00 174.62 175.42 3gqn h GLU 766 N 0.98 0.02 0.05 4.92 4.57 -1.99 0.11 114.58 123.24 3gqn h GLU 766 Ca -0.51 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.69 3gqn h GLU 766 Cb 1.32 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.87 3gqn h GLU 766 CO 0.55 0.02 -0.18 0.22 -1.18 0.00 0.00 179.01 178.43 3gqn h ASP 767 N 0.02 -0.53 0.00 1.04 3.58 -2.05 -3.47 116.42 115.02 3gqn h ASP 767 Ca 0.51 0.07 0.00 0.00 0.42 0.00 0.00 57.03 58.03 3gqn h ASP 767 Cb 0.94 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.20 3gqn h ASP 767 CO -0.89 -0.26 0.00 0.61 -2.88 0.00 0.00 179.24 175.82 3gqn n GLY 768 N -1.31 -0.49 3.67 -0.78 0.00 0.37 -5.13 105.19 101.52 3gqn n GLY 768 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3gqn n GLY 768 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqn s VAL 769 N 0.00 3.43 -0.51 1.61 1.01 -1.25 -4.70 120.40 119.99 3gqn s VAL 769 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 3gqn s VAL 769 Cb 0.00 -3.39 0.13 0.00 0.00 0.00 0.00 36.38 33.12 3gqn s VAL 769 CO 0.00 -0.04 0.40 -0.75 0.00 0.00 0.00 175.10 174.70 3gqn s LYS 770 N 3.77 2.62 0.39 2.72 2.20 -1.26 -0.08 119.74 130.09 3gqn s LYS 770 Ca 0.75 -1.84 0.04 0.00 -0.36 0.00 0.00 55.97 54.56 3gqn s LYS 770 Cb -0.35 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 3gqn s LYS 770 CO 0.31 -1.22 0.15 -0.59 -0.36 0.00 0.00 175.35 173.64 3gqn s PHE 771 N 1.26 1.77 -0.08 4.03 -0.12 -0.10 -5.00 117.98 119.73 3gqn s PHE 771 Ca 0.07 -1.33 0.03 0.00 -0.05 0.00 0.00 56.93 55.65 3gqn s PHE 771 Cb -0.26 -1.08 0.00 0.00 -0.63 0.00 0.00 43.02 41.06 3gqn s PHE 771 CO -0.01 -0.38 -0.19 -1.59 -0.05 0.00 0.00 175.22 173.00 3gqn s LYS 772 N -3.69 2.50 -0.18 1.99 -2.85 -1.26 -0.15 119.74 116.09 3gqn s LYS 772 Ca 0.27 -0.70 -0.08 0.00 -1.00 0.00 0.00 55.97 54.47 3gqn s LYS 772 Cb 0.03 -1.94 -0.04 0.00 -2.06 0.00 0.00 37.83 33.82 3gqn s LYS 772 CO 0.16 0.13 0.07 0.50 0.10 0.00 0.00 175.35 176.31 3gqn s ARG 773 N 0.44 3.99 0.23 1.78 3.52 0.18 -4.88 118.95 124.22 3gqn s ARG 773 Ca -0.17 -0.33 -0.31 0.00 -0.13 0.00 0.00 55.73 54.79 3gqn s ARG 773 Cb -0.17 -3.23 -0.12 0.00 -1.56 0.00 0.00 34.95 29.87 3gqn s ARG 773 CO 0.07 0.27 1.68 -1.25 -0.81 0.00 0.00 175.30 175.26 3gqn s PRO 774 N 0.37 4.12 0.05 5.12 0.04 -1.26 -0.68 135.00 142.76 3gqn s PRO 774 Ca 0.03 2.60 -0.31 0.00 0.04 0.00 0.00 61.00 63.37 3gqn s PRO 774 Cb -0.12 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 3gqn s PRO 774 CO -0.00 -0.72 1.39 -0.51 0.04 0.00 0.00 177.00 177.21 3gqn s LEU 775 N 0.66 4.34 0.30 -3.56 1.02 -0.42 -4.90 118.68 116.12 3gqn s LEU 775 Ca 0.71 2.20 -0.29 0.00 0.02 0.00 0.00 54.13 56.77 3gqn s LEU 775 Cb -0.49 -3.57 -0.10 0.00 0.02 0.00 0.00 46.19 42.05 3gqn s LEU 775 CO 0.37 -0.68 1.32 -2.84 0.02 0.00 0.00 176.35 174.54 3gqn s PRO 776 N 1.81 4.35 -0.28 1.29 0.02 -1.26 0.02 135.00 140.95 3gqn s PRO 776 Ca 0.64 2.20 -0.25 0.00 0.02 0.00 0.00 61.00 63.61 3gqn s PRO 776 Cb -0.34 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.09 3gqn s PRO 776 CO 0.28 -0.22 0.85 1.21 -0.33 0.00 0.00 177.00 178.79 3gqn s ASN 777 N -0.25 6.77 0.57 2.53 2.47 -0.83 -4.57 114.94 121.63 3gqn s ASN 777 Ca 0.51 0.86 0.27 0.00 0.42 0.00 0.00 52.86 54.93 3gqn s ASN 777 Cb -0.39 -2.44 1.53 0.00 -1.45 0.00 0.00 41.25 38.50 3gqn s ASN 777 CO 0.49 -0.62 2.03 -0.65 -3.72 0.00 0.00 177.10 174.63 3gqn h PRO 778 N 7.95 0.00 0.00 0.43 0.11 -1.92 -0.47 132.00 138.09 3gqn h PRO 778 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3gqn h PRO 778 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gqn h PRO 778 CO 0.90 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.44 3gqn n ASP 779 N -3.98 0.10 -4.73 -2.05 9.92 -1.26 -4.81 116.55 109.75 3gqn n ASP 779 Ca 0.05 0.52 -0.42 0.00 -0.53 0.00 0.00 54.79 54.41 3gqn n ASP 779 Cb 0.46 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.37 3gqn n ASP 779 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3gqn s PHE 780 N -3.03 3.06 -0.31 1.24 2.19 -0.19 -5.01 117.98 115.93 3gqn s PHE 780 Ca 0.09 0.83 0.00 0.00 0.33 0.00 0.00 56.93 58.18 3gqn s PHE 780 Cb 0.13 -3.86 0.07 0.00 -1.31 0.00 0.00 43.02 38.05 3gqn s PHE 780 CO 0.38 -3.01 0.01 0.34 1.83 0.00 0.00 175.22 174.77 3gqn s ASP 781 N 0.80 4.79 0.08 6.13 3.68 -1.26 -4.98 116.67 125.92 3gqn s ASP 781 Ca 0.65 -1.57 0.15 0.00 2.13 0.00 0.00 52.55 53.91 3gqn s ASP 781 Cb -0.42 -1.67 0.66 0.00 -1.45 0.00 0.00 42.92 40.04 3gqn s ASP 781 CO 0.36 -0.30 1.47 -0.81 0.13 0.00 0.00 175.17 176.03 3gqn n PRO 782 N 4.50 0.06 -0.04 4.34 -0.04 -1.26 -2.43 135.00 140.12 3gqn n PRO 782 Ca -0.09 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 3gqn n PRO 782 Cb 0.42 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 3gqn n PRO 782 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3gqn h ASN 783 N 0.00 0.32 -2.00 3.54 2.35 -2.03 -3.45 115.58 114.32 3gqn h ASN 783 Ca 0.00 -0.52 -0.63 0.00 -0.55 0.00 0.00 56.30 54.60 3gqn h ASN 783 Cb 0.23 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.53 3gqn h ASN 783 CO 0.00 0.78 1.03 0.29 -1.65 0.00 0.00 177.43 177.89 3gqn n LYS 784 N -4.58 2.05 -2.50 0.81 5.02 -1.02 -4.90 118.16 113.05 3gqn n LYS 784 Ca -0.07 0.75 -0.43 0.00 -2.02 0.00 0.00 58.31 56.54 3gqn n LYS 784 Cb 0.37 -2.57 -0.02 0.00 -0.02 0.00 0.00 35.03 32.80 3gqn n LYS 784 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3gqn s ASN 785 N 3.61 6.58 -0.03 4.39 3.84 -1.26 -4.97 114.94 127.09 3gqn s ASN 785 Ca 0.92 0.77 -0.30 0.00 0.21 0.00 0.00 52.86 54.45 3gqn s ASN 785 Cb -0.74 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 37.37 3gqn s ASN 785 CO 0.52 -1.24 1.37 -0.47 -2.79 0.00 0.00 177.10 174.49 3gqn s TYR 786 N 4.67 2.84 -0.23 0.43 6.04 -1.26 -5.02 117.35 124.82 3gqn s TYR 786 Ca 0.53 0.85 -0.03 0.00 0.04 0.00 0.00 57.07 58.46 3gqn s TYR 786 Cb -0.11 -3.63 0.00 0.00 -1.04 0.00 0.00 41.96 37.18 3gqn s TYR 786 CO 0.29 -2.30 -0.04 0.42 -1.54 0.00 0.00 175.55 172.38 3gqn s ILE 787 N 2.58 3.26 0.72 3.14 1.01 -1.26 -5.08 121.20 125.57 3gqn s ILE 787 Ca 0.62 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 3gqn s ILE 787 Cb -0.30 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.68 3gqn s ILE 787 CO 0.25 0.36 1.10 -2.84 0.00 0.00 0.00 174.94 173.81 3gqn s PRO 788 N 1.44 2.53 0.47 2.79 0.02 -1.26 -4.85 135.00 136.14 3gqn s PRO 788 Ca 0.05 1.25 0.18 0.00 0.02 0.00 0.00 61.00 62.49 3gqn s PRO 788 Cb -0.15 -1.93 1.17 0.00 0.02 0.00 0.00 34.50 33.61 3gqn s PRO 788 CO -0.04 -1.44 1.98 0.00 -0.33 0.00 0.00 177.00 177.18 3gqn h ARG 789 N -0.60 0.25 0.00 5.54 3.08 -1.81 -0.21 114.38 120.63 3gqn h ARG 789 Ca -0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3gqn h ARG 789 Cb 1.24 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3gqn h ARG 789 CO 0.53 0.16 0.00 0.66 -1.07 0.00 0.00 179.97 180.25 3gqn h SER 790 N 0.25 0.00 0.00 7.04 4.64 -1.91 -2.47 113.55 121.10 3gqn h SER 790 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3gqn h SER 790 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3gqn h SER 790 CO -0.06 0.00 -1.26 0.00 -0.87 0.00 0.00 176.83 174.65 3gqn n GLN 791 N -2.89 1.22 -2.28 4.77 6.02 -0.12 -5.00 117.38 119.10 3gqn n GLN 791 Ca -0.02 -0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.56 3gqn n GLN 791 Cb 0.12 -1.26 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 3gqn n GLN 791 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3gqn s ARG 792 N -2.72 3.60 0.03 -1.09 3.00 -0.93 -5.00 118.95 115.84 3gqn s ARG 792 Ca -0.01 1.20 -0.17 0.00 0.00 0.00 0.00 55.73 56.75 3gqn s ARG 792 Cb 0.10 -2.07 -0.26 0.00 0.00 0.00 0.00 34.95 32.71 3gqn s ARG 792 CO 0.58 -0.58 1.10 -0.09 0.00 0.00 0.00 175.30 176.32 3gqn h ARG 793 N 0.89 0.55 0.00 3.54 2.43 -1.94 -3.33 114.38 116.51 3gqn h ARG 793 Ca -0.48 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 58.04 3gqn h ARG 793 Cb 1.21 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3gqn h ARG 793 CO 0.59 1.27 0.00 1.05 -1.51 0.00 0.00 179.97 181.36 3gqn h GLU 794 N 0.12 0.00 -5.53 0.20 9.09 -1.82 -3.43 114.58 113.20 3gqn h GLU 794 Ca -0.13 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.68 3gqn h GLU 794 Cb 1.64 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.63 3gqn h GLU 794 CO 0.18 0.00 -0.10 -1.58 0.05 0.00 0.00 179.01 177.56 3gqn s TRP 795 N -3.31 3.39 -0.05 2.06 0.52 -1.25 -0.24 118.94 120.06 3gqn s TRP 795 Ca 0.06 0.74 0.05 0.00 0.02 0.00 0.00 56.10 56.97 3gqn s TRP 795 Cb 0.09 -2.61 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 3gqn s TRP 795 CO 0.57 -0.04 -0.21 -1.01 0.02 0.00 0.00 176.95 176.29 3gqn s HIS 796 N 1.40 2.06 -0.21 -1.98 3.76 0.16 -4.90 115.29 115.58 3gqn s HIS 796 Ca 0.23 -0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 3gqn s HIS 796 Cb -0.15 -1.37 -0.01 0.00 1.11 0.00 0.00 32.58 32.16 3gqn s HIS 796 CO 0.09 -0.21 1.31 0.08 -0.85 0.00 0.00 174.74 175.16 3gqn s VAL 797 N -0.00 4.18 -0.23 -0.90 1.01 -1.26 -0.42 120.40 122.77 3gqn s VAL 797 Ca -0.05 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 3gqn s VAL 797 Cb -0.13 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.25 3gqn s VAL 797 CO 0.03 -0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.10 3gqn s VAL 798 N 3.91 2.76 -0.01 2.92 1.01 -0.40 -0.77 120.40 129.83 3gqn s VAL 798 Ca 0.57 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3gqn s VAL 798 Cb -0.20 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 3gqn s VAL 798 CO 0.19 0.26 1.46 -0.83 0.00 0.00 0.00 175.10 176.18 3gqn s GLY 799 N 1.32 1.76 -0.17 4.51 0.00 0.15 -1.52 107.32 113.36 3gqn s GLY 799 Ca 0.01 0.90 0.14 0.00 0.00 0.00 0.00 44.72 45.77 3gqn s GLY 799 CO -0.06 2.63 0.03 1.04 0.00 0.00 0.00 173.10 176.75 3gqn n LEU 800 N 5.75 0.29 -3.69 0.66 4.77 0.12 -2.57 117.00 122.34 3gqn n LEU 800 Ca 0.14 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3gqn n LEU 800 Cb 0.43 0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.71 3gqn n LEU 800 CO 0.59 0.47 -0.04 -0.22 -1.33 0.00 0.00 177.39 176.86 3gqn s LEU 801 N -5.37 -0.12 0.00 2.23 2.96 -1.07 -4.27 118.68 113.04 3gqn s LEU 801 Ca -0.11 0.75 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 3gqn s LEU 801 Cb 0.05 1.04 0.00 0.00 0.50 0.00 0.00 46.19 47.78 3gqn s LEU 801 CO 0.69 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 176.12 3gqn n GLY 802 N 4.73 0.94 3.59 7.98 0.00 -0.12 -0.56 105.19 121.76 3gqn n GLY 802 Ca -0.17 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 3gqn n GLY 802 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqn s GLN 803 N -1.54 3.67 -0.03 1.61 -0.21 -1.13 -1.17 119.66 120.86 3gqn s GLN 803 Ca 0.00 0.47 0.05 0.00 0.02 0.00 0.00 55.36 55.90 3gqn s GLN 803 Cb 0.00 -3.92 -0.01 0.00 1.00 0.00 0.00 33.01 30.08 3gqn s GLN 803 CO 0.00 -1.40 -0.17 0.42 -2.12 0.00 0.00 175.29 172.02 3gqn s ILE 804 N 4.44 1.38 0.00 1.08 1.01 0.32 -3.75 121.20 125.68 3gqn s ILE 804 Ca 0.46 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 3gqn s ILE 804 Cb -0.07 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 3gqn s ILE 804 CO 0.31 0.40 1.22 0.00 0.00 0.00 0.00 174.94 176.86 3gqn s ALA 805 N -0.11 3.46 -0.01 9.38 0.00 -1.26 0.25 121.76 133.47 3gqn s ALA 805 Ca -0.00 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.75 3gqn s ALA 805 Cb -0.10 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3gqn s ALA 805 CO 0.01 -0.64 -0.13 0.08 0.00 0.00 0.00 175.76 175.08 3gqn s VAL 806 N 1.74 1.02 0.01 0.00 1.01 0.26 -4.18 120.40 120.26 3gqn s VAL 806 Ca 0.58 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3gqn s VAL 806 Cb -0.27 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 3gqn s VAL 806 CO 0.26 0.28 1.42 -0.13 0.00 0.00 0.00 175.10 176.93 3gqn s ARG 807 N -0.32 4.28 0.44 2.72 0.52 0.28 -1.22 118.95 125.65 3gqn s ARG 807 Ca 0.05 2.01 0.05 0.00 -0.52 0.00 0.00 55.73 57.32 3gqn s ARG 807 Cb -0.05 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.80 3gqn s ARG 807 CO -0.00 -0.58 0.01 0.96 0.02 0.00 0.00 175.30 175.71 3gqn s ILE 808 N 2.36 1.77 0.27 1.52 -4.36 0.17 -0.35 121.20 122.58 3gqn s ILE 808 Ca 0.65 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 3gqn s ILE 808 Cb -0.32 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 40.63 3gqn s ILE 808 CO 0.27 0.00 0.09 -0.90 0.24 0.00 0.00 174.94 174.64 3gqn n ASP 809 N -1.06 2.39 0.19 4.36 3.85 -0.39 -1.57 116.55 124.31 3gqn n ASP 809 Ca -0.09 -2.08 0.14 0.00 -0.71 0.00 0.00 54.79 52.06 3gqn n ASP 809 Cb 0.67 0.10 0.65 0.00 -1.35 0.00 0.00 41.12 41.19 3gqn n ASP 809 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3gqn h GLU 810 N 0.00 0.00 0.00 0.11 9.09 -1.94 -2.85 114.58 118.99 3gqn h GLU 810 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 3gqn h GLU 810 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 3gqn h GLU 810 CO 0.33 0.00 -0.35 0.25 0.05 0.00 0.00 179.01 179.29 3gqn n THR 811 N -2.52 0.11 -2.96 -1.06 -2.24 -1.26 -4.90 114.28 99.45 3gqn n THR 811 Ca 0.00 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 3gqn n THR 811 Cb 0.18 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3gqn n THR 811 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gqn s VAL 812 N -3.04 4.99 0.05 2.28 1.01 -1.08 -4.29 120.40 120.33 3gqn s VAL 812 Ca 0.11 1.59 0.09 0.00 0.00 0.00 0.00 61.98 63.77 3gqn s VAL 812 Cb 0.17 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3gqn s VAL 812 CO 0.65 0.20 -0.25 -0.54 0.00 0.00 0.00 175.10 175.15 3gqn s LYS 813 N 1.07 1.69 0.30 2.72 1.02 -1.26 -4.98 119.74 120.29 3gqn s LYS 813 Ca 0.40 -1.11 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 3gqn s LYS 813 Cb -0.18 -1.89 -0.12 0.00 -0.52 0.00 0.00 37.83 35.12 3gqn s LYS 813 CO 0.19 0.48 1.39 0.94 -0.92 0.00 0.00 175.35 177.43 3gqn n GLN 814 N 1.70 2.22 -0.96 1.68 7.27 -1.26 -2.33 117.38 125.70 3gqn n GLN 814 Ca -0.17 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.68 3gqn n GLN 814 Cb 0.52 -2.43 0.00 0.00 2.41 0.00 0.00 30.24 30.74 3gqn n GLN 814 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gqn n GLY 815 N 1.43 0.87 3.30 1.69 0.00 0.58 -4.98 105.19 108.09 3gqn n GLY 815 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3gqn n GLY 815 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gqn n HIS 816 N -2.22 -0.96 -3.78 1.61 8.25 -0.98 -4.75 115.22 112.38 3gqn n HIS 816 Ca 0.00 -1.98 -0.22 0.00 -0.26 0.00 0.00 57.72 55.25 3gqn n HIS 816 Cb 0.00 -0.40 -0.05 0.00 1.12 0.00 0.00 29.99 30.66 3gqn n HIS 816 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3gqn s SER 817 N -3.84 4.85 0.02 0.41 0.01 -1.26 -0.48 113.70 113.42 3gqn s SER 817 Ca 0.31 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.76 3gqn s SER 817 Cb -0.02 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 3gqn s SER 817 CO 0.20 -0.58 -0.09 0.27 0.41 0.00 0.00 173.24 173.45 3gqn s ILE 818 N -2.50 0.67 0.22 1.44 -4.36 0.99 -0.89 121.20 116.78 3gqn s ILE 818 Ca 0.45 -0.74 0.01 0.00 -0.26 0.00 0.00 60.65 60.11 3gqn s ILE 818 Cb -0.01 -0.64 0.01 0.00 1.25 0.00 0.00 42.46 43.07 3gqn s ILE 818 CO 0.26 -0.07 0.08 0.47 0.24 0.00 0.00 174.94 175.91 3gqn n ASP 819 N 2.15 2.20 -4.09 4.36 10.43 0.90 -1.23 116.55 131.28 3gqn n ASP 819 Ca -0.18 -1.88 -0.21 0.00 2.57 0.00 0.00 54.79 55.09 3gqn n ASP 819 Cb 0.56 0.07 -0.15 0.00 1.84 0.00 0.00 41.12 43.44 3gqn n ASP 819 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gqn s ALA 820 N -2.35 1.06 -0.11 2.24 0.00 -1.26 -0.60 121.76 120.73 3gqn s ALA 820 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 3gqn s ALA 820 Cb -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3gqn s ALA 820 CO 0.04 0.26 -0.03 0.08 0.00 0.00 0.00 175.76 176.11 3gqn s VAL 821 N -0.32 0.70 -1.56 0.00 1.01 0.08 -1.96 120.40 118.34 3gqn s VAL 821 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 3gqn s VAL 821 Cb -0.05 -0.84 0.10 0.00 0.00 0.00 0.00 36.38 35.58 3gqn s VAL 821 CO -0.00 0.24 0.83 0.61 0.00 0.00 0.00 175.10 176.78 3gqn n GLY 822 N 5.04 -0.43 3.07 4.51 0.00 -1.13 -0.85 105.19 115.40 3gqn n GLY 822 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3gqn n GLY 822 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqn n GLY 823 N -1.62 0.45 3.63 -0.02 0.00 -0.10 -4.84 105.19 102.69 3gqn n GLY 823 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3gqn n GLY 823 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqn s VAL 824 N -2.23 4.52 0.16 1.61 1.01 -0.03 -0.70 120.40 124.74 3gqn s VAL 824 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 3gqn s VAL 824 Cb 0.00 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 3gqn s VAL 824 CO 0.00 0.51 1.66 0.00 0.00 0.00 0.00 175.10 177.27 3gqn s ALA 825 N -0.03 3.81 0.30 5.51 0.00 0.52 -0.74 121.76 131.14 3gqn s ALA 825 Ca 0.05 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.51 3gqn s ALA 825 Cb -0.12 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 3gqn s ALA 825 CO 0.01 -0.92 -0.10 -0.08 0.00 0.00 0.00 175.76 174.67 3gqn s THR 826 N 1.56 2.04 0.21 0.00 -1.32 0.23 -1.27 115.64 117.09 3gqn s THR 826 Ca 0.73 -2.21 -0.32 0.00 -1.21 0.00 0.00 61.69 58.68 3gqn s THR 826 Cb -0.45 -2.49 -0.13 0.00 -1.51 0.00 0.00 72.50 67.92 3gqn s THR 826 CO 0.32 -0.29 1.58 -0.67 -2.21 0.00 0.00 174.62 173.35 3gqn n ASP 827 N -0.67 3.33 0.00 8.08 2.03 -1.26 -0.07 116.55 127.98 3gqn n ASP 827 Ca -0.05 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.36 3gqn n ASP 827 Cb 0.63 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 3gqn n ASP 827 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gqn n GLY 828 N 3.09 2.49 0.00 0.27 0.00 -0.06 -4.16 105.19 106.82 3gqn n GLY 828 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.05 3gqn n GLY 828 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqn n ASP 829 N 0.00 2.53 -4.88 1.61 10.43 -1.22 -3.76 116.55 121.26 3gqn n ASP 829 Ca 0.00 -0.15 -0.34 0.00 2.57 0.00 0.00 54.79 56.88 3gqn n ASP 829 Cb 0.00 1.30 -0.05 0.00 1.84 0.00 0.00 41.12 44.21 3gqn n ASP 829 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3gqn s ASN 830 N -2.70 6.58 0.76 -2.24 0.01 -0.37 -4.70 114.94 112.28 3gqn s ASN 830 Ca -0.02 0.70 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 3gqn s ASN 830 Cb 0.05 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.57 3gqn s ASN 830 CO 0.34 0.15 0.00 0.49 -1.51 0.00 0.00 177.10 176.57 3gqn n PHE 831 N 0.70 -1.12 -4.07 2.20 0.99 -1.26 -0.01 117.46 114.89 3gqn n PHE 831 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.21 3gqn n PHE 831 Cb 0.52 0.18 -0.16 0.00 -1.00 0.00 0.00 39.48 39.03 3gqn n PHE 831 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gqn s ILE 832 N 0.00 0.35 -0.37 4.37 1.01 -1.22 -4.33 121.20 121.00 3gqn s ILE 832 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 3gqn s ILE 832 Cb 0.00 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.12 3gqn s ILE 832 CO 0.00 0.16 1.09 -0.69 0.00 0.00 0.00 174.94 175.50 3gqn s VAL 833 N 0.59 4.41 -0.06 2.92 1.01 0.37 -0.98 120.40 128.67 3gqn s VAL 833 Ca -0.07 1.56 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 3gqn s VAL 833 Cb -0.10 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 3gqn s VAL 833 CO -0.01 -0.66 0.30 -0.61 0.00 0.00 0.00 175.10 174.13 3gqn h GLN 834 N 8.47 -0.24 -2.32 2.72 4.15 -1.06 0.17 115.11 127.00 3gqn h GLN 834 Ca -0.21 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.15 3gqn h GLN 834 Cb 1.06 0.05 -0.22 0.00 0.21 0.00 0.00 27.48 28.58 3gqn h GLN 834 CO 1.06 -0.16 -0.03 -1.83 -1.93 0.00 0.00 178.83 175.95 3gqn s GLU 835 N -2.34 0.68 -0.08 1.69 -1.05 -1.13 -4.57 118.70 111.90 3gqn s GLU 835 Ca -0.04 0.82 -0.30 0.00 -0.15 0.00 0.00 54.97 55.31 3gqn s GLU 835 Cb 0.00 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 3gqn s GLU 835 CO 0.11 -0.08 1.24 0.42 0.95 0.00 0.00 175.26 177.89 3gqn s ILE 836 N 0.35 4.22 -0.06 1.83 1.01 -1.26 -0.54 121.20 126.74 3gqn s ILE 836 Ca -0.00 1.53 0.12 0.00 0.00 0.00 0.00 60.65 62.29 3gqn s ILE 836 Cb -0.04 -3.98 -0.18 0.00 0.01 0.00 0.00 42.46 38.27 3gqn s ILE 836 CO 0.00 -0.04 0.28 0.35 0.00 0.00 0.00 174.94 175.53 3gqn n THR 837 N 4.86 0.00 -3.52 2.92 -2.24 0.38 -4.81 114.28 111.85 3gqn n THR 837 Ca 0.12 -0.27 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 3gqn n THR 837 Cb 0.46 0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 3gqn n THR 837 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gqn s THR 838 N -2.76 -0.14 0.56 4.28 2.01 -0.44 -4.96 115.64 114.19 3gqn s THR 838 Ca -0.04 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.15 3gqn s THR 838 Cb 0.08 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3gqn s THR 838 CO 0.49 -0.60 1.34 -2.84 -0.69 0.00 0.00 174.62 172.32 3gqn s PRO 839 N 2.16 3.07 0.35 4.92 0.02 -1.26 0.45 135.00 144.72 3gqn s PRO 839 Ca 0.08 2.18 -0.27 0.00 0.02 0.00 0.00 61.00 63.01 3gqn s PRO 839 Cb -0.16 -2.19 -0.12 0.00 0.02 0.00 0.00 34.50 32.05 3gqn s PRO 839 CO -0.32 -1.22 1.13 0.98 -0.33 0.00 0.00 177.00 177.24 3gqn n TYR 840 N -1.15 1.69 -4.16 6.54 4.19 -1.26 -4.58 117.16 118.43 3gqn n TYR 840 Ca 0.11 0.60 -0.17 0.00 3.31 0.00 0.00 57.90 61.75 3gqn n TYR 840 Cb 0.46 -2.32 -0.15 0.00 0.49 0.00 0.00 39.34 37.82 3gqn n TYR 840 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 3gqn s THR 841 N -1.14 0.43 0.31 2.97 -4.23 -1.25 -4.92 115.64 107.82 3gqn s THR 841 Ca 0.59 -0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 3gqn s THR 841 Cb -0.60 -0.39 0.30 0.00 1.34 0.00 0.00 72.50 73.16 3gqn s THR 841 CO 0.60 0.14 1.73 0.11 -0.54 0.00 0.00 174.62 176.65 3gqn h LYS 842 N 6.22 0.55 -0.35 3.99 1.57 -1.95 -0.63 116.57 125.96 3gqn h LYS 842 Ca -0.30 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 3gqn h LYS 842 Cb 1.18 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3gqn h LYS 842 CO 0.50 0.36 -0.43 1.05 -0.57 0.00 0.00 179.45 180.36 3gqn h GLU 843 N 0.56 0.90 0.08 3.15 9.09 -1.96 -3.16 114.58 123.24 3gqn h GLU 843 Ca 0.62 -0.51 -0.27 0.00 0.05 0.00 0.00 59.36 59.25 3gqn h GLU 843 Cb 1.15 0.03 0.02 0.00 -1.65 0.00 0.00 28.75 28.30 3gqn h GLU 843 CO -0.48 1.15 -1.14 0.87 0.05 0.00 0.00 179.01 179.46 3gqn h LYS 844 N 0.70 0.53 0.00 1.06 1.57 -1.93 -3.48 116.57 115.03 3gqn h LYS 844 Ca 0.04 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 3gqn h LYS 844 Cb 1.03 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3gqn h LYS 844 CO 0.10 1.28 0.00 0.41 -0.57 0.00 0.00 179.45 180.67 3gqn n GLY 845 N 1.25 0.66 3.49 3.86 0.00 -0.27 -5.03 105.19 109.16 3gqn n GLY 845 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3gqn n GLY 845 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gqn s TYR 846 N -2.57 -0.46 0.36 1.61 1.13 -1.25 -4.86 117.35 111.31 3gqn s TYR 846 Ca 0.00 0.23 0.01 0.00 -1.41 0.00 0.00 57.07 55.90 3gqn s TYR 846 Cb 0.00 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.44 3gqn s TYR 846 CO 0.00 -0.83 0.08 0.41 -2.51 0.00 0.00 175.55 172.70 3gqn n GLY 847 N -0.37 3.49 3.05 5.49 0.00 -0.61 -3.79 105.19 112.47 3gqn n GLY 847 Ca -0.14 -2.31 -0.27 0.00 0.00 0.00 0.00 46.02 43.30 3gqn n GLY 847 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqn s VAL 848 N -2.17 1.40 0.02 1.61 1.01 0.17 -0.65 120.40 121.79 3gqn s VAL 848 Ca 0.06 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3gqn s VAL 848 Cb -0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3gqn s VAL 848 CO 0.04 0.42 -0.20 0.00 0.00 0.00 0.00 175.10 175.36 3gqn s ALA 849 N 0.83 1.66 -0.13 5.51 0.00 -0.36 -0.47 121.76 128.80 3gqn s ALA 849 Ca -0.10 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 3gqn s ALA 849 Cb -0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3gqn s ALA 849 CO 0.01 0.38 1.38 0.42 0.00 0.00 0.00 175.76 177.95 3gqn s ILE 850 N -0.68 4.07 -0.11 0.00 -1.09 0.30 -0.58 121.20 123.11 3gqn s ILE 850 Ca 0.07 1.29 0.02 0.00 -2.23 0.00 0.00 60.65 59.80 3gqn s ILE 850 Cb -0.08 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 3gqn s ILE 850 CO 0.01 -0.11 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.75 3gqn s VAL 851 N 3.64 2.74 -0.66 2.92 1.01 0.14 -0.38 120.40 129.81 3gqn s VAL 851 Ca 0.60 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 3gqn s VAL 851 Cb -0.25 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.07 3gqn s VAL 851 CO 0.19 0.54 1.07 -0.22 0.00 0.00 0.00 175.10 176.69 3gqn s LEU 852 N 0.22 3.89 -0.14 3.92 2.96 -0.15 -0.52 118.68 128.86 3gqn s LEU 852 Ca -0.11 -0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 53.02 3gqn s LEU 852 Cb -0.16 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 3gqn s LEU 852 CO 0.06 -1.53 0.37 -0.69 -1.32 0.00 0.00 176.35 173.25 3gqn s VAL 853 N 4.62 5.25 0.00 1.68 1.01 -0.32 -3.43 120.40 129.20 3gqn s VAL 853 Ca 0.29 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3gqn s VAL 853 Cb -0.13 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3gqn s VAL 853 CO 0.14 0.37 0.16 0.29 0.00 0.00 0.00 175.10 176.07