#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqp s VAL 64 N 0.00 1.05 -0.20 2.46 0.11 -1.26 -0.77 120.40 121.79 1gqp s VAL 64 Ca 0.00 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1gqp s VAL 64 Cb 0.00 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1gqp s VAL 64 CO 0.00 0.32 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.74 1gqp s LEU 65 N 0.39 2.53 -0.13 2.54 2.96 0.93 -4.93 118.68 122.96 1gqp s LEU 65 Ca -0.08 -0.66 -0.21 0.00 -0.22 0.00 0.00 54.13 52.95 1gqp s LEU 65 Cb -0.12 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1gqp s LEU 65 CO 0.02 -0.03 0.63 -0.69 -1.32 0.00 0.00 176.35 174.95 1gqp s VAL 66 N 1.33 5.06 -0.37 1.68 1.01 -1.26 -0.73 120.40 127.12 1gqp s VAL 66 Ca 0.04 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 1gqp s VAL 66 Cb -0.14 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.37 1gqp s VAL 66 CO -0.09 0.20 0.13 -0.76 0.00 0.00 0.00 175.10 174.59 1gqp s LEU 67 N 1.26 4.78 -0.35 3.92 1.43 0.49 -4.93 118.68 125.28 1gqp s LEU 67 Ca 0.31 -1.74 0.01 0.00 -1.03 0.00 0.00 54.13 51.68 1gqp s LEU 67 Cb -0.16 -1.79 0.14 0.00 0.03 0.00 0.00 46.19 44.41 1gqp s LEU 67 CO 0.13 -0.44 0.29 -0.62 0.23 0.00 0.00 176.35 175.94 1gqp s ASP 68 N 1.60 2.01 0.00 2.29 -1.08 -1.25 -1.08 116.67 119.17 1gqp s ASP 68 Ca 0.04 -1.66 0.00 0.00 -0.52 0.00 0.00 52.55 50.41 1gqp s ASP 68 Cb -0.22 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.41 1gqp s ASP 68 CO -0.03 -0.31 0.19 -0.90 0.52 0.00 0.00 175.17 174.64 1gqp n ASP 69 N 4.39 0.47 -1.76 -0.34 5.68 -0.28 -4.94 116.55 119.76 1gqp n ASP 69 Ca 0.08 -0.56 -0.03 0.00 -0.50 0.00 0.00 54.79 53.79 1gqp n ASP 69 Cb 0.42 -0.14 0.07 0.00 -1.14 0.00 0.00 41.12 40.34 1gqp n ASP 69 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1gqp n ARG 70 N 0.53 1.61 0.00 0.11 1.85 -1.26 -2.73 116.66 116.77 1gqp n ARG 70 Ca 0.00 -3.18 0.00 0.00 -1.00 0.00 0.00 57.85 53.67 1gqp n ARG 70 Cb 0.09 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 1gqp n ARG 70 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1gqp n THR 76 N -0.43 0.00 0.17 8.89 -1.04 -1.26 -5.03 114.28 115.58 1gqp n THR 76 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.06 1gqp n THR 76 Cb 0.91 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.34 1gqp n THR 76 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1gqp h LYS 77 N 0.21 -0.44 0.00 -2.82 1.79 -1.98 -2.86 116.57 110.47 1gqp h LYS 77 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1gqp h LYS 77 Cb 0.00 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1gqp h LYS 77 CO 0.00 -0.11 0.00 0.38 -1.08 0.00 0.00 179.45 178.64 1gqp h ASP 78 N -0.83 0.00 -0.27 0.86 2.03 -1.99 -2.43 116.42 113.78 1gqp h ASP 78 Ca -0.05 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.22 1gqp h ASP 78 Cb 0.52 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.01 1gqp h ASP 78 CO 0.08 0.00 0.05 0.25 -1.03 0.00 0.00 179.24 178.59 1gqp h LEU 79 N 0.00 0.42 -8.65 0.15 5.85 -1.74 -3.41 115.31 107.93 1gqp h LEU 79 Ca 0.00 -0.25 -0.62 0.00 0.84 0.00 0.00 57.88 57.85 1gqp h LEU 79 Cb 0.07 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 40.86 1gqp h LEU 79 CO 0.00 0.56 0.40 -0.31 -0.34 0.00 0.00 178.44 178.75 1gqp s TYR 80 N -5.22 2.99 0.49 1.25 1.51 -0.92 -0.36 117.35 117.09 1gqp s TYR 80 Ca -0.14 0.23 0.19 0.00 -1.01 0.00 0.00 57.07 56.34 1gqp s TYR 80 Cb 0.08 -3.71 1.27 0.00 -0.11 0.00 0.00 41.96 39.50 1gqp s TYR 80 CO 0.74 -0.99 2.10 0.28 -1.11 0.00 0.00 175.55 176.57 1gqp h VAL 81 N 5.99 0.94 -1.85 0.71 2.07 -1.17 -3.43 116.25 119.50 1gqp h VAL 81 Ca -0.25 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1gqp h VAL 81 Cb 1.08 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1gqp h VAL 81 CO 0.97 0.08 0.00 0.59 0.02 0.00 0.00 177.57 179.23 1gqp n ASN 82 N -4.27 0.00 0.00 0.57 4.13 -1.25 -4.94 115.26 109.50 1gqp n ASN 82 Ca -0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1gqp n ASN 82 Cb 0.16 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1gqp n ASN 82 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gqp n GLY 83 N 5.00 -0.94 2.68 7.41 0.00 -1.26 -4.68 105.19 113.40 1gqp n GLY 83 Ca 0.00 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 1gqp n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gqp s PHE 84 N -1.48 0.38 0.00 1.61 5.36 -1.26 -4.79 117.98 117.79 1gqp s PHE 84 Ca 0.00 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1gqp s PHE 84 Cb 0.00 -0.70 0.00 0.00 -0.34 0.00 0.00 43.02 41.98 1gqp s PHE 84 CO 0.00 -0.38 0.00 1.04 -1.46 0.00 0.00 175.22 174.42 1gqp n GLN 85 N 5.22 -0.68 0.00 10.12 6.02 -1.26 -4.67 117.38 132.13 1gqp n GLN 85 Ca -0.06 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1gqp n GLN 85 Cb 0.49 -3.76 0.00 0.00 1.02 0.00 0.00 30.24 28.00 1gqp n GLN 85 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1gqp n GLU 87 N -0.51 0.00 -1.46 -1.09 1.02 -1.26 -5.09 120.64 112.25 1gqp n GLU 87 Ca 0.00 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.63 1gqp n GLU 87 Cb 0.12 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.50 1gqp n GLU 87 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1gqp n ILE 88 N 0.99 1.37 -0.06 -3.67 -5.35 -1.11 -4.41 119.36 107.14 1gqp n ILE 88 Ca 0.00 -0.34 -0.19 0.00 -0.27 0.00 0.00 62.75 61.95 1gqp n ILE 88 Cb 0.00 -0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 37.59 1gqp n ILE 88 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gqp n GLN 89 N 1.19 0.71 -4.13 6.28 6.02 -1.26 -4.47 117.38 121.72 1gqp n GLN 89 Ca 0.17 0.21 -0.33 0.00 -0.01 0.00 0.00 57.00 57.04 1gqp n GLN 89 Cb 0.21 -1.63 -0.16 0.00 1.02 0.00 0.00 30.24 29.69 1gqp n GLN 89 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1gqp s TYR 90 N -2.54 2.79 0.06 1.08 1.51 -1.26 -4.98 117.35 114.01 1gqp s TYR 90 Ca -0.27 -1.59 0.33 0.00 -1.01 0.00 0.00 57.07 54.54 1gqp s TYR 90 Cb 0.08 -1.93 1.39 0.00 -0.11 0.00 0.00 41.96 41.39 1gqp s TYR 90 CO 0.70 -0.78 1.97 1.96 -1.11 0.00 0.00 175.55 178.29 1gqp h GLN 91 N 7.92 0.00 -1.32 -0.62 4.20 -2.03 -3.32 115.11 119.95 1gqp h GLN 91 Ca -0.45 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.83 1gqp h GLN 91 Cb 1.14 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.63 1gqp h GLN 91 CO 0.63 0.00 -0.87 0.09 -0.67 0.00 0.00 178.83 178.02 1gqp n ASN 92 N -2.96 -1.08 -4.60 1.46 3.02 -1.26 -5.14 115.26 104.71 1gqp n ASN 92 Ca 0.01 -2.88 -0.49 0.00 -0.03 0.00 0.00 54.58 51.19 1gqp n ASN 92 Cb 0.28 0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1gqp n ASN 92 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1gqp n PRO 93 N 1.67 1.32 -3.05 3.52 -0.02 -1.25 -5.01 135.00 132.18 1gqp n PRO 93 Ca 0.18 0.47 -0.17 0.00 -2.02 0.00 0.00 63.50 61.95 1gqp n PRO 93 Cb 0.56 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1gqp n PRO 93 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gqp s THR 94 N -0.00 2.96 0.39 3.45 -4.23 -1.26 -4.89 115.64 112.05 1gqp s THR 94 Ca 0.75 -1.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.36 1gqp s THR 94 Cb -0.84 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 70.36 1gqp s THR 94 CO 0.50 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.83 1gqp h PRO 95 N 0.66 0.53 -0.22 3.99 0.11 -1.99 0.02 132.00 135.10 1gqp h PRO 95 Ca -0.40 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1gqp h PRO 95 Cb 1.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1gqp h PRO 95 CO 0.46 0.35 -0.05 1.49 -0.21 0.00 0.00 178.00 180.04 1gqp h GLU 96 N 0.54 0.41 -0.56 1.05 4.81 -1.99 -1.58 114.58 117.26 1gqp h GLU 96 Ca 0.41 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1gqp h GLU 96 Cb 0.79 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1gqp h GLU 96 CO -0.16 0.65 0.28 -0.91 -0.73 0.00 0.00 179.01 178.15 1gqp h ASN 97 N 0.14 0.72 -0.13 1.04 -0.26 -1.59 -1.46 115.58 114.06 1gqp h ASN 97 Ca 0.06 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1gqp h ASN 97 Cb 0.50 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1gqp h ASN 97 CO 0.02 0.64 0.08 -0.07 -1.06 0.00 0.00 177.43 177.03 1gqp h LEU 98 N 0.76 0.15 -1.15 1.61 3.38 -1.01 -1.18 115.31 117.87 1gqp h LEU 98 Ca 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1gqp h LEU 98 Cb 0.09 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1gqp h LEU 98 CO -0.03 0.15 0.41 -0.61 0.09 0.00 0.00 178.44 178.45 1gqp h GLN 99 N 0.14 1.00 0.06 1.13 -0.00 -1.16 -1.16 115.11 115.13 1gqp h GLN 99 Ca 0.05 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1gqp h GLN 99 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.30 1gqp h GLN 99 CO -0.01 0.72 -0.03 1.25 0.00 0.00 0.00 178.83 180.76 1gqp h HIS 100 N 1.01 -0.08 -0.79 3.99 2.76 -0.89 -1.60 115.15 119.55 1gqp h HIS 100 Ca 0.26 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1gqp h HIS 100 Cb 0.00 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 1gqp h HIS 100 CO 0.01 0.11 0.47 0.52 -1.30 0.00 0.00 177.93 177.74 1gqp h MET 101 N -0.26 1.08 0.24 5.26 2.86 -1.03 0.22 114.93 123.31 1gqp h MET 101 Ca -0.01 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1gqp h MET 101 Cb 0.22 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1gqp h MET 101 CO 0.01 0.76 -0.35 0.35 1.06 0.00 0.00 176.91 178.74 1gqp h PHE 102 N 1.08 -0.97 -0.68 -0.22 3.57 -1.01 0.18 116.94 118.90 1gqp h PHE 102 Ca 0.28 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1gqp h PHE 102 Cb -0.04 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1gqp h PHE 102 CO -0.01 -0.48 0.19 1.25 -2.23 0.00 0.00 178.31 177.03 1gqp h HIS 103 N -0.66 1.10 -0.61 0.41 2.76 -1.08 -2.63 115.15 114.44 1gqp h HIS 103 Ca 0.00 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 1gqp h HIS 103 Cb 0.64 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1gqp h HIS 103 CO -0.26 0.89 0.15 1.96 -1.30 0.00 0.00 177.93 179.37 1gqp h GLN 104 N 1.02 0.97 -1.01 5.26 1.08 -0.21 -2.67 115.11 119.55 1gqp h GLN 104 Ca 0.22 -0.23 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 1gqp h GLN 104 Cb 0.32 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.56 1gqp h GLN 104 CO -0.00 0.88 0.65 0.78 -0.95 0.00 0.00 178.83 180.19 1gqp h GLY 105 N 0.88 1.52 1.30 3.46 0.00 -0.36 -0.73 103.07 109.15 1gqp h GLY 105 Ca 0.19 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1gqp h GLY 105 CO 0.00 0.36 -0.10 -2.22 0.00 0.00 0.00 176.54 174.58 1gqp h ILE 106 N 1.20 1.26 -0.17 2.60 2.04 -1.15 -1.24 117.51 122.05 1gqp h ILE 106 Ca 0.43 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1gqp h ILE 106 Cb 0.13 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1gqp h ILE 106 CO -0.16 0.41 0.01 -0.33 0.00 0.00 0.00 178.15 178.07 1gqp h GLU 107 N 0.75 0.30 -0.52 2.37 5.08 -1.14 -1.53 114.58 119.89 1gqp h GLU 107 Ca 0.13 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1gqp h GLU 107 Cb 0.59 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1gqp h GLU 107 CO 0.04 0.50 0.29 0.82 -1.00 0.00 0.00 179.01 179.66 1gqp h ILE 108 N 0.06 1.17 -0.45 3.13 2.04 -0.94 -1.42 117.51 121.10 1gqp h ILE 108 Ca 0.05 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1gqp h ILE 108 Cb 0.36 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1gqp h ILE 108 CO 0.01 0.18 0.10 -0.07 0.00 0.00 0.00 178.15 178.37 1gqp h LEU 109 N 0.69 0.69 -1.51 1.44 3.38 -1.18 -2.65 115.31 116.18 1gqp h LEU 109 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1gqp h LEU 109 Cb 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1gqp h LEU 109 CO -0.03 0.75 -0.10 0.44 0.09 0.00 0.00 178.44 179.59 1gqp h ASP 110 N 0.60 0.00 1.20 -0.43 3.32 -1.14 -2.39 116.42 117.58 1gqp h ASP 110 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1gqp h ASP 110 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1gqp h ASP 110 CO 0.00 0.10 0.00 0.77 -1.72 0.00 0.00 179.24 178.39 1gqp h SER 111 N 0.00 0.00 -4.15 6.45 4.64 -0.88 -3.45 113.55 116.16 1gqp h SER 111 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1gqp h SER 111 Cb 0.54 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.77 1gqp h SER 111 CO 0.01 0.00 0.27 0.00 -0.87 0.00 0.00 176.83 176.25 1gqp s ALA 112 N -3.26 1.78 0.16 5.18 0.00 -0.90 -4.97 121.76 119.75 1gqp s ALA 112 Ca 0.07 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 1gqp s ALA 112 Cb 0.10 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 20.05 1gqp s ALA 112 CO 0.52 -2.16 1.69 -0.09 0.00 0.00 0.00 175.76 175.72 1gqp h ARG 113 N -1.41 0.81 -6.28 0.00 1.12 -1.87 -3.46 114.38 103.29 1gqp h ARG 113 Ca -0.47 -0.16 -0.51 0.00 -1.11 0.00 0.00 59.98 57.72 1gqp h ARG 113 Cb 1.27 -0.12 0.24 0.00 -0.01 0.00 0.00 29.97 31.35 1gqp h ARG 113 CO 0.54 0.73 -1.74 0.00 -3.11 0.00 0.00 179.97 176.38 1gqp n MET 114 N -4.49 -0.39 -4.54 0.20 0.00 -1.26 -4.66 117.12 101.98 1gqp n MET 114 Ca 0.02 -0.10 -0.34 0.00 0.00 0.00 0.00 57.70 57.28 1gqp n MET 114 Cb 0.18 -1.30 -0.11 0.00 0.00 0.00 0.00 33.22 31.99 1gqp n MET 114 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1gqp s ILE 115 N -2.12 3.84 -0.37 3.17 1.01 0.13 -4.93 121.20 121.93 1gqp s ILE 115 Ca 0.45 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 1gqp s ILE 115 Cb -0.08 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1gqp s ILE 115 CO 0.71 0.58 1.02 0.21 0.00 0.00 0.00 174.94 177.46 1gqp s ASN 116 N -0.55 6.76 0.00 3.58 3.84 -1.26 -1.43 114.94 125.88 1gqp s ASN 116 Ca 0.08 0.73 0.09 0.00 0.21 0.00 0.00 52.86 53.98 1gqp s ASN 116 Cb -0.12 -2.51 0.27 0.00 -0.55 0.00 0.00 41.25 38.34 1gqp s ASN 116 CO 0.02 -0.95 1.23 1.33 -2.79 0.00 0.00 177.10 175.94 1gqp n VAL 117 N 6.11 1.00 -0.18 -5.21 0.24 -0.21 -4.78 118.33 115.30 1gqp n VAL 117 Ca 0.10 -1.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.28 1gqp n VAL 117 Cb 0.48 0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 33.26 1gqp n VAL 117 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1gqp h THR 118 N 1.80 0.00 0.00 3.34 2.02 -1.86 -1.10 112.91 117.11 1gqp h THR 118 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1gqp h THR 118 Cb 0.71 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1gqp h THR 118 CO 0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 1gqp n HIS 119 N -5.06 0.00 0.05 3.16 8.25 -1.26 -3.03 115.22 117.33 1gqp n HIS 119 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1gqp n HIS 119 Cb 0.29 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 1gqp n HIS 119 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1gqp n LEU 120 N -0.49 0.68 -4.93 2.41 4.77 -0.42 -4.94 117.00 114.09 1gqp n LEU 120 Ca 0.00 0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 1gqp n LEU 120 Cb 0.00 0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1gqp n LEU 120 CO 0.00 -0.01 0.49 0.00 -1.33 0.00 0.00 177.39 176.54 1gqp s ALA 121 N -3.20 3.39 -0.21 -1.18 0.00 -1.17 -4.63 121.76 114.76 1gqp s ALA 121 Ca -0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1gqp s ALA 121 Cb 0.10 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1gqp s ALA 121 CO 0.82 -0.78 0.16 -1.17 0.00 0.00 0.00 175.76 174.79 1gqp s LEU 122 N -4.94 4.19 -0.23 0.00 0.20 0.11 -4.89 118.68 113.12 1gqp s LEU 122 Ca 0.54 0.23 -0.06 0.00 0.69 0.00 0.00 54.13 55.53 1gqp s LEU 122 Cb -0.10 -2.13 -0.02 0.00 -0.43 0.00 0.00 46.19 43.50 1gqp s LEU 122 CO 0.44 0.14 0.03 0.26 -0.29 0.00 0.00 176.35 176.92 1gqp s TRP 123 N 0.57 3.04 -0.23 5.38 0.52 -1.26 -0.97 118.94 125.99 1gqp s TRP 123 Ca 0.09 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.66 1gqp s TRP 123 Cb -0.12 -2.18 0.05 0.00 -1.15 0.00 0.00 33.47 30.07 1gqp s TRP 123 CO 0.00 -0.39 -0.09 0.21 0.02 0.00 0.00 176.95 176.70 1gqp s LYS 124 N 1.49 2.02 0.28 4.98 2.20 0.11 -4.98 119.74 125.85 1gqp s LYS 124 Ca 0.06 -1.09 -0.19 0.00 -0.36 0.00 0.00 55.97 54.39 1gqp s LYS 124 Cb -0.15 -2.66 -0.09 0.00 -1.51 0.00 0.00 37.83 33.42 1gqp s LYS 124 CO 0.01 -0.53 0.77 -2.14 -0.36 0.00 0.00 175.35 173.11 1gqp s PRO 125 N 1.28 4.22 0.28 4.03 0.02 -1.26 -0.91 135.00 142.66 1gqp s PRO 125 Ca -0.06 0.89 -0.01 0.00 0.02 0.00 0.00 61.00 61.84 1gqp s PRO 125 Cb -0.18 -2.68 0.46 0.00 0.02 0.00 0.00 34.50 32.11 1gqp s PRO 125 CO -0.06 0.28 1.91 0.66 -0.33 0.00 0.00 177.00 179.45 1gqp h SER 126 N 2.93 0.98 -5.06 2.53 4.64 -1.15 -3.45 113.55 114.97 1gqp h SER 126 Ca -0.48 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.92 1gqp h SER 126 Cb 1.19 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 1gqp h SER 126 CO 0.65 0.64 0.28 -0.94 -0.87 0.00 0.00 176.83 176.59 1gqp s SER 127 N -6.00 -0.20 -0.19 4.97 1.04 -1.26 -5.00 113.70 107.07 1gqp s SER 127 Ca -0.12 -0.67 -0.28 0.00 0.48 0.00 0.00 55.95 55.36 1gqp s SER 127 Cb 0.20 0.71 0.10 0.00 0.10 0.00 0.00 66.02 67.13 1gqp s SER 127 CO 0.81 -1.34 0.90 0.72 0.98 0.00 0.00 173.24 175.31 1gqp s PHE 128 N -3.53 -0.53 0.13 5.02 -0.12 -1.26 -4.29 117.98 113.41 1gqp s PHE 128 Ca 0.12 1.09 -0.30 0.00 -0.05 0.00 0.00 56.93 57.79 1gqp s PHE 128 Cb -0.05 0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 42.66 1gqp s PHE 128 CO 0.07 -0.37 0.95 0.21 -0.05 0.00 0.00 175.22 176.03 1gqp s LYS 129 N -0.52 4.72 0.10 1.99 2.20 0.70 -4.61 119.74 124.33 1gqp s LYS 129 Ca -0.02 1.45 -0.34 0.00 -0.36 0.00 0.00 55.97 56.70 1gqp s LYS 129 Cb -0.02 -3.36 -0.13 0.00 -1.51 0.00 0.00 37.83 32.81 1gqp s LYS 129 CO 0.01 0.27 1.66 -0.11 -0.36 0.00 0.00 175.35 176.82 1gqp n LEU 130 N 2.55 3.22 0.00 5.43 7.94 -1.26 -0.36 117.00 134.51 1gqp n LEU 130 Ca 0.01 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1gqp n LEU 130 Cb 0.49 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1gqp n LEU 130 CO 0.51 -0.21 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 1gqp n GLY 131 N 3.68 0.55 2.20 -3.96 0.00 -1.26 -4.94 105.19 101.45 1gqp n GLY 131 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1gqp n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gqp n ASN 132 N 0.00 0.58 -4.72 1.61 4.13 0.51 -5.03 115.26 112.35 1gqp n ASN 132 Ca 0.00 -2.88 -0.29 0.00 1.68 0.00 0.00 54.58 53.09 1gqp n ASN 132 Cb 0.00 -0.63 0.15 0.00 -1.54 0.00 0.00 39.78 37.77 1gqp n ASN 132 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1gqp s PRO 133 N -1.91 0.84 0.60 3.52 0.02 -1.26 -2.49 135.00 134.33 1gqp s PRO 133 Ca 0.38 0.53 0.38 0.00 0.02 0.00 0.00 61.00 62.30 1gqp s PRO 133 Cb 0.27 -1.78 1.92 0.00 0.02 0.00 0.00 34.50 34.93 1gqp s PRO 133 CO -0.09 -2.45 2.20 -0.24 -0.33 0.00 0.00 177.00 176.09 1gqp h VAL 134 N -1.69 0.13 0.00 3.83 3.04 -1.94 -2.40 116.25 117.22 1gqp h VAL 134 Ca -0.52 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1gqp h VAL 134 Cb 1.32 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1gqp h VAL 134 CO 0.58 0.02 -0.07 0.44 -1.01 0.00 0.00 177.57 177.53 1gqp h ASP 135 N 0.00 0.00 0.59 3.17 3.32 -1.96 -1.95 116.42 119.59 1gqp h ASP 135 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gqp h ASP 135 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1gqp h ASP 135 CO 0.00 0.07 0.00 0.49 -1.72 0.00 0.00 179.24 178.09 1gqp n PHE 136 N -3.49 0.00 0.87 4.55 3.01 -0.90 -1.75 117.46 119.76 1gqp n PHE 136 Ca -0.02 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.54 1gqp n PHE 136 Cb 0.21 -0.46 -0.12 0.00 -0.01 0.00 0.00 39.48 39.10 1gqp n PHE 136 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gqp n ALA 137 N -1.46 4.49 0.71 4.37 0.00 -0.73 -3.56 120.51 124.32 1gqp n ALA 137 Ca 0.05 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 53.00 1gqp n ALA 137 Cb 0.21 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 1gqp n ALA 137 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gqp n LEU 138 N -1.54 1.08 0.00 0.00 4.77 -0.71 -0.92 117.00 119.67 1gqp n LEU 138 Ca 0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1gqp n LEU 138 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1gqp n LEU 138 CO 0.41 0.23 0.00 -0.90 -1.33 0.00 0.00 177.39 175.81 1gqp n ASP 139 N -0.85 0.00 -1.56 -1.43 5.68 -0.86 -4.94 116.55 112.59 1gqp n ASP 139 Ca 0.04 -0.60 -0.14 0.00 -0.50 0.00 0.00 54.79 53.59 1gqp n ASP 139 Cb 0.28 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.35 1gqp n ASP 139 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1gqp n ASP 140 N -1.79 3.93 -4.34 -1.12 9.92 -1.26 -4.88 116.55 117.02 1gqp n ASP 140 Ca 0.00 -3.80 -0.33 0.00 -0.53 0.00 0.00 54.79 50.12 1gqp n ASP 140 Cb 0.00 -0.45 -0.14 0.00 -0.64 0.00 0.00 41.12 39.89 1gqp n ASP 140 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1gqp s ASN 141 N -3.34 4.06 0.26 -2.24 3.84 -1.26 -4.99 114.94 111.26 1gqp s ASN 141 Ca 0.47 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 53.19 1gqp s ASN 141 Cb 0.40 -1.64 0.33 0.00 -0.55 0.00 0.00 41.25 39.79 1gqp s ASN 141 CO 0.00 0.11 1.67 0.22 -2.79 0.00 0.00 177.10 176.31 1gqp h TYR 142 N 7.16 0.61 0.00 0.43 3.20 -1.93 -3.19 116.97 123.25 1gqp h TYR 142 Ca -0.31 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1gqp h TYR 142 Cb 1.19 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1gqp h TYR 142 CO 0.52 0.77 0.00 -0.25 -1.64 0.00 0.00 178.16 177.57 1gqp n ASP 143 N -4.09 0.48 -4.74 -2.11 8.00 -1.26 -4.81 116.55 108.01 1gqp n ASP 143 Ca -0.01 0.58 -0.29 0.00 0.71 0.00 0.00 54.79 55.79 1gqp n ASP 143 Cb 0.44 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.78 1gqp n ASP 143 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1gqp s THR 144 N -3.15 4.29 -0.05 -3.53 -4.23 -1.21 -5.12 115.64 102.64 1gqp s THR 144 Ca 0.08 -0.99 -0.27 0.00 -1.18 0.00 0.00 61.69 59.33 1gqp s THR 144 Cb 0.12 -3.10 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1gqp s THR 144 CO 0.45 0.03 0.60 0.72 -0.54 0.00 0.00 174.62 175.88 1gqp s PHE 145 N -1.51 -0.56 0.30 3.99 -0.12 -1.23 -4.38 117.98 114.48 1gqp s PHE 145 Ca 0.29 0.98 -0.28 0.00 -0.05 0.00 0.00 56.93 57.86 1gqp s PHE 145 Cb -0.11 0.33 -0.09 0.00 -0.63 0.00 0.00 43.02 42.52 1gqp s PHE 145 CO 0.21 -0.55 1.03 -0.46 -0.05 0.00 0.00 175.22 175.41 1gqp s TRP 146 N -1.13 3.62 -0.09 3.49 -0.00 -0.51 -4.57 118.94 119.75 1gqp s TRP 146 Ca -0.11 1.75 -0.01 0.00 -0.00 0.00 0.00 56.10 57.73 1gqp s TRP 146 Cb -0.01 -3.14 0.03 0.00 -0.00 0.00 0.00 33.47 30.35 1gqp s TRP 146 CO 0.08 -0.25 -0.01 -1.14 -0.00 0.00 0.00 176.95 175.63 1gqp s GLN 147 N -1.69 0.80 1.09 5.86 0.74 -1.04 -1.89 119.66 123.53 1gqp s GLN 147 Ca 0.47 -0.01 -0.13 0.00 0.05 0.00 0.00 55.36 55.74 1gqp s GLN 147 Cb -0.27 -1.20 0.24 0.00 1.10 0.00 0.00 33.01 32.89 1gqp s GLN 147 CO 0.34 -0.33 1.06 -1.54 -0.55 0.00 0.00 175.29 174.27 1gqp s SER 148 N 1.91 1.71 -0.48 6.67 1.04 -0.99 -0.22 113.70 123.34 1gqp s SER 148 Ca 0.04 1.36 0.06 0.00 0.48 0.00 0.00 55.95 57.90 1gqp s SER 148 Cb -0.13 -2.09 0.22 0.00 0.10 0.00 0.00 66.02 64.12 1gqp s SER 148 CO -0.06 -3.72 0.74 -0.67 0.98 0.00 0.00 173.24 170.50 1gqp n ASP 149 N -4.59 -2.51 -2.28 7.02 2.03 -1.26 -4.17 116.55 110.80 1gqp n ASP 149 Ca 0.04 -3.01 0.02 0.00 0.52 0.00 0.00 54.79 52.35 1gqp n ASP 149 Cb 0.56 1.29 0.01 0.00 -0.72 0.00 0.00 41.12 42.25 1gqp n ASP 149 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gqp n GLY 150 N 2.18 0.40 3.79 0.27 0.00 -1.26 -4.61 105.19 105.96 1gqp n GLY 150 Ca 0.16 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1gqp n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqp s GLY 151 N -3.27 1.61 0.37 -0.02 0.00 -1.26 -4.77 107.32 99.98 1gqp s GLY 151 Ca 0.14 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 1gqp s GLY 151 CO -0.01 0.18 0.69 1.20 0.00 0.00 0.00 173.10 175.16 1gqp s GLN 152 N -5.18 3.70 0.48 2.90 -0.21 -1.26 -4.29 119.66 115.80 1gqp s GLN 152 Ca 0.62 0.27 -0.16 0.00 0.02 0.00 0.00 55.36 56.10 1gqp s GLN 152 Cb -0.15 -2.48 -0.08 0.00 1.00 0.00 0.00 33.01 31.30 1gqp s GLN 152 CO 0.54 0.03 0.94 -1.25 -2.12 0.00 0.00 175.29 173.44 1gqp s PRO 153 N -3.85 3.97 0.36 2.91 0.04 -1.26 -5.10 135.00 132.07 1gqp s PRO 153 Ca 0.48 0.91 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 1gqp s PRO 153 Cb -0.10 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1gqp s PRO 153 CO 0.32 -0.19 0.65 -1.01 0.04 0.00 0.00 177.00 176.82 1gqp s HIS 154 N -2.50 3.50 0.03 0.56 3.76 -0.22 -4.88 115.29 115.54 1gqp s HIS 154 Ca 0.58 0.74 0.02 0.00 -0.15 0.00 0.00 55.06 56.25 1gqp s HIS 154 Cb -0.10 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 1gqp s HIS 154 CO 0.28 0.01 -0.06 -1.14 -0.85 0.00 0.00 174.74 172.97 1gqp s GLN 155 N -3.97 0.46 -0.11 1.40 0.74 -1.26 -0.84 119.66 116.08 1gqp s GLN 155 Ca 0.46 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 55.18 1gqp s GLN 155 Cb -0.10 -0.20 0.04 0.00 1.10 0.00 0.00 33.01 33.84 1gqp s GLN 155 CO 0.34 0.03 0.02 -1.17 -0.55 0.00 0.00 175.29 173.96 1gqp s LEU 156 N -1.42 0.75 -0.13 3.68 2.96 0.71 -0.44 118.68 124.78 1gqp s LEU 156 Ca -0.10 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1gqp s LEU 156 Cb -0.09 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1gqp s LEU 156 CO 0.00 -0.24 0.06 -1.81 -1.32 0.00 0.00 176.35 173.05 1gqp s ASP 157 N 1.95 5.68 -0.15 3.68 1.11 -0.08 -0.40 116.67 128.46 1gqp s ASP 157 Ca 0.03 0.20 0.00 0.00 0.18 0.00 0.00 52.55 52.96 1gqp s ASP 157 Cb -0.14 -1.83 0.03 0.00 1.07 0.00 0.00 42.92 42.05 1gqp s ASP 157 CO -0.06 0.30 -0.11 -0.63 1.18 0.00 0.00 175.17 175.85 1gqp s ILE 158 N -0.39 1.36 -0.12 0.77 1.01 0.83 -0.71 121.20 123.96 1gqp s ILE 158 Ca 0.09 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1gqp s ILE 158 Cb -0.12 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1gqp s ILE 158 CO 0.02 0.36 -0.12 -0.32 0.00 0.00 0.00 174.94 174.87 1gqp s MET 159 N 1.56 1.99 0.13 2.79 1.75 -0.14 -0.20 119.30 127.18 1gqp s MET 159 Ca 0.04 -0.45 -0.03 0.00 -1.25 0.00 0.00 55.69 54.00 1gqp s MET 159 Cb -0.13 -1.84 -0.05 0.00 2.84 0.00 0.00 34.83 35.65 1gqp s MET 159 CO -0.09 -0.18 0.33 -0.06 -0.65 0.00 0.00 175.02 174.36 1gqp s PHE 160 N 1.37 3.49 -0.20 4.11 0.40 0.40 0.07 117.98 127.62 1gqp s PHE 160 Ca 0.01 0.43 0.26 0.00 -0.60 0.00 0.00 56.93 57.03 1gqp s PHE 160 Cb -0.13 -1.91 1.24 0.00 0.51 0.00 0.00 43.02 42.73 1gqp s PHE 160 CO -0.07 0.47 1.79 0.66 0.70 0.00 0.00 175.22 178.77 1gqp h SER 161 N 2.74 0.00 -5.23 1.36 4.64 -1.87 -3.45 113.55 111.75 1gqp h SER 161 Ca -0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 1gqp h SER 161 Cb 1.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 1gqp h SER 161 CO 0.73 0.00 -0.03 -1.59 -0.87 0.00 0.00 176.83 175.07 1gqp s LYS 162 N -3.53 1.75 0.58 4.77 -2.85 -1.26 -5.15 119.74 114.06 1gqp s LYS 162 Ca 0.01 -1.34 -0.20 0.00 -1.00 0.00 0.00 55.97 53.44 1gqp s LYS 162 Cb 0.08 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.32 1gqp s LYS 162 CO 0.34 -0.76 1.27 0.50 0.10 0.00 0.00 175.35 176.80 1gqp s ARG 163 N -3.57 3.01 0.09 1.78 3.52 -1.26 -4.56 118.95 117.95 1gqp s ARG 163 Ca 0.21 1.99 0.04 0.00 -0.13 0.00 0.00 55.73 57.84 1gqp s ARG 163 Cb -0.02 -2.05 -0.03 0.00 -1.56 0.00 0.00 34.95 31.28 1gqp s ARG 163 CO 0.11 -1.22 -0.11 -1.64 -0.81 0.00 0.00 175.30 171.63 1gqp s MET 164 N -3.15 0.81 -0.93 5.12 -1.94 0.11 -4.93 119.30 114.39 1gqp s MET 164 Ca 0.76 -1.07 -0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1gqp s MET 164 Cb -0.35 -0.58 0.28 0.00 2.01 0.00 0.00 34.83 36.19 1gqp s MET 164 CO 0.39 0.10 1.16 -0.40 -0.01 0.00 0.00 175.02 176.26 1gqp n ASP 165 N 0.80 5.32 -4.65 3.03 5.75 -1.26 -1.21 116.55 124.33 1gqp n ASP 165 Ca -0.18 -3.36 -0.42 0.00 -0.01 0.00 0.00 54.79 50.82 1gqp n ASP 165 Cb 0.57 -1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.55 1gqp n ASP 165 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1gqp s ILE 166 N -2.42 3.26 -0.09 2.12 -1.09 -1.02 -4.01 121.20 117.95 1gqp s ILE 166 Ca 0.33 0.31 0.21 0.00 -2.23 0.00 0.00 60.65 59.27 1gqp s ILE 166 Cb 0.05 -3.23 -0.30 0.00 -1.58 0.00 0.00 42.46 37.41 1gqp s ILE 166 CO 0.03 -0.06 0.37 0.00 -1.23 0.00 0.00 174.94 174.06 1gqp s VAL 168 N -3.17 -0.02 -0.20 0.00 1.01 -1.18 -4.38 120.40 112.45 1gqp s VAL 168 Ca -0.08 0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1gqp s VAL 168 Cb 0.11 -0.48 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1gqp s VAL 168 CO 0.88 0.03 -0.15 -0.32 0.00 0.00 0.00 175.10 175.54 1gqp s MET 169 N 0.88 2.55 -0.10 2.72 1.75 -0.69 -1.04 119.30 125.38 1gqp s MET 169 Ca -0.06 -0.97 -0.01 0.00 -1.25 0.00 0.00 55.69 53.41 1gqp s MET 169 Cb -0.07 -2.61 -0.03 0.00 2.84 0.00 0.00 34.83 34.97 1gqp s MET 169 CO -0.06 -0.36 -0.05 0.00 -0.65 0.00 0.00 175.02 173.90 1gqp s ALA 170 N 1.27 3.03 -0.03 4.11 0.00 0.29 -0.31 121.76 130.11 1gqp s ALA 170 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1gqp s ALA 170 Cb -0.16 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1gqp s ALA 170 CO -0.10 0.47 -0.05 0.42 0.00 0.00 0.00 175.76 176.51 1gqp s ILE 171 N -0.47 0.50 -0.30 0.00 1.01 0.16 -0.55 121.20 121.55 1gqp s ILE 171 Ca 0.07 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 1gqp s ILE 171 Cb -0.12 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 1gqp s ILE 171 CO 0.02 0.20 0.64 0.12 0.00 0.00 0.00 174.94 175.92 1gqp s PHE 172 N 0.70 3.22 -0.06 3.97 5.36 -0.37 -1.03 117.98 129.76 1gqp s PHE 172 Ca -0.09 0.61 0.05 0.00 -0.96 0.00 0.00 56.93 56.54 1gqp s PHE 172 Cb -0.12 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.54 1gqp s PHE 172 CO 0.00 -0.47 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.01 1gqp s PHE 173 N 2.63 2.53 -0.32 10.12 0.40 -0.54 -4.51 117.98 128.28 1gqp s PHE 173 Ca 0.26 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1gqp s PHE 173 Cb -0.15 -1.62 0.15 0.00 0.51 0.00 0.00 43.02 41.91 1gqp s PHE 173 CO 0.12 -0.10 0.36 0.45 0.70 0.00 0.00 175.22 176.75 1gqp s SER 174 N -0.29 1.10 0.55 1.36 0.15 -1.25 -0.07 113.70 115.25 1gqp s SER 174 Ca 0.01 -0.95 0.31 0.00 0.70 0.00 0.00 55.95 56.02 1gqp s SER 174 Cb -0.13 0.71 1.61 0.00 -1.71 0.00 0.00 66.02 66.50 1gqp s SER 174 CO 0.03 -0.33 2.11 0.24 1.20 0.00 0.00 173.24 176.49 1gqp h MET 175 N 7.79 0.00 0.01 5.44 2.86 -1.81 0.24 114.93 129.46 1gqp h MET 175 Ca -0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1gqp h MET 175 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1gqp h MET 175 CO 0.27 0.08 -0.00 0.82 1.06 0.00 0.00 176.91 179.13 1gqp h ILE 176 N 0.00 1.60 -0.18 -1.22 1.08 -1.93 -1.51 117.51 115.35 1gqp h ILE 176 Ca -0.00 -1.88 -0.17 0.00 -0.39 0.00 0.00 64.86 62.42 1gqp h ILE 176 Cb 0.30 2.86 -0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1gqp h ILE 176 CO 0.01 0.48 -0.60 0.00 -0.69 0.00 0.00 178.15 177.35 1gqp h ALA 177 N 0.15 0.63 0.00 1.87 0.00 -1.91 -3.33 119.26 116.67 1gqp h ALA 177 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1gqp h ALA 177 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1gqp h ALA 177 CO 0.00 0.70 -1.53 -0.25 0.00 0.00 0.00 179.25 178.17 1gqp n ASP 178 N -3.94 0.41 0.00 0.00 10.43 0.84 -5.00 116.55 119.29 1gqp n ASP 178 Ca -0.04 0.16 0.00 0.00 2.57 0.00 0.00 54.79 57.48 1gqp n ASP 178 Cb 0.64 1.23 0.00 0.00 1.84 0.00 0.00 41.12 44.83 1gqp n ASP 178 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1gqp n GLU 179 N -2.47 0.00 0.20 -1.24 1.02 -0.57 -0.79 120.64 116.79 1gqp n GLU 179 Ca -0.03 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.26 1gqp n GLU 179 Cb 0.57 0.00 0.56 0.00 -0.02 0.00 0.00 31.44 32.56 1gqp n GLU 179 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gqp h SER 180 N 0.00 0.00 0.12 1.62 4.64 -1.83 -2.52 113.55 115.58 1gqp h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqp h SER 180 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gqp h SER 180 CO 0.00 0.00 -0.06 -1.22 -0.87 0.00 0.00 176.83 174.68 1gqp n TYR 181 N -2.65 0.00 -2.67 4.77 4.02 0.03 -3.60 117.16 117.07 1gqp n TYR 181 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.48 1gqp n TYR 181 Cb 0.29 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 1gqp n TYR 181 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gqp s ALA 182 N -2.18 3.48 0.53 -0.72 0.00 -0.95 -1.06 121.76 120.85 1gqp s ALA 182 Ca 0.37 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 1gqp s ALA 182 Cb 0.21 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1gqp s ALA 182 CO 0.40 -0.72 1.10 -1.25 0.00 0.00 0.00 175.76 175.29 1gqp s PRO 183 N 2.32 3.49 -0.01 0.00 0.04 -1.26 -0.66 135.00 138.92 1gqp s PRO 183 Ca 0.48 1.54 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1gqp s PRO 183 Cb -0.18 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.18 1gqp s PRO 183 CO 0.15 -0.72 0.27 -1.13 0.04 0.00 0.00 177.00 175.61 1gqp n SER 184 N -1.19 2.14 -3.92 6.66 3.41 -0.38 -4.65 113.62 115.68 1gqp n SER 184 Ca 0.11 -0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1gqp n SER 184 Cb 0.51 1.36 -0.14 0.00 -0.26 0.00 0.00 64.21 65.68 1gqp n SER 184 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqp s LEU 185 N -3.41 1.99 -0.02 1.04 1.43 -1.22 -0.92 118.68 117.57 1gqp s LEU 185 Ca -0.02 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1gqp s LEU 185 Cb 0.07 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.14 1gqp s LEU 185 CO 0.42 0.04 -0.02 -0.69 0.23 0.00 0.00 176.35 176.32 1gqp s VAL 186 N -0.06 0.31 -0.15 -1.59 1.01 -0.27 -4.03 120.40 115.62 1gqp s VAL 186 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1gqp s VAL 186 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1gqp s VAL 186 CO -0.00 0.15 -0.13 -0.54 0.00 0.00 0.00 175.10 174.57 1gqp s LYS 187 N 0.62 3.29 -0.15 2.72 1.02 -0.13 0.33 119.74 127.43 1gqp s LYS 187 Ca -0.07 -0.71 -0.05 0.00 0.02 0.00 0.00 55.97 55.16 1gqp s LYS 187 Cb -0.10 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1gqp s LYS 187 CO -0.01 0.07 0.00 0.08 -0.92 0.00 0.00 175.35 174.57 1gqp s VAL 188 N 0.71 4.28 -0.01 3.17 1.01 0.02 -0.88 120.40 128.70 1gqp s VAL 188 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1gqp s VAL 188 Cb -0.15 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1gqp s VAL 188 CO 0.02 0.50 -0.13 -0.31 0.00 0.00 0.00 175.10 175.17 1gqp s TYR 189 N 0.16 1.21 0.02 5.22 1.51 0.77 0.12 117.35 126.36 1gqp s TYR 189 Ca 0.01 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1gqp s TYR 189 Cb -0.13 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 1gqp s TYR 189 CO 0.02 -0.03 0.08 0.00 -1.11 0.00 0.00 175.55 174.51 1gqp s ALA 190 N -0.29 -0.11 0.00 3.71 0.00 -0.69 0.20 121.76 124.59 1gqp s ALA 190 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1gqp s ALA 190 Cb -0.05 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1gqp s ALA 190 CO -0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1gqp n GLY 191 N 1.24 -0.67 0.12 0.00 0.00 0.10 -1.40 105.19 104.59 1gqp n GLY 191 Ca -0.22 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1gqp n GLY 191 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1gqp h HIS 192 N 0.00 0.59 -3.38 1.61 -0.00 -1.84 0.63 115.15 112.77 1gqp h HIS 192 Ca 0.00 -0.43 -0.07 0.00 -0.00 0.00 0.00 60.37 59.87 1gqp h HIS 192 Cb 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.34 1gqp h HIS 192 CO 0.00 1.47 0.08 -1.54 -0.00 0.00 0.00 177.93 177.94 1gqp s SER 193 N -7.15 0.14 0.20 3.26 1.04 -1.26 -4.16 113.70 105.75 1gqp s SER 193 Ca -0.10 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.15 1gqp s SER 193 Cb 0.06 0.73 0.20 0.00 0.10 0.00 0.00 66.02 67.11 1gqp s SER 193 CO 0.87 -1.43 1.79 -0.65 0.98 0.00 0.00 173.24 174.81 1gqp h PRO 194 N 2.08 0.56 0.00 4.02 0.11 -1.96 0.65 132.00 137.46 1gqp h PRO 194 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1gqp h PRO 194 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1gqp h PRO 194 CO 0.36 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 1gqp n SER 195 N -4.85 0.00 0.00 -2.05 3.41 -1.26 -3.15 113.62 105.72 1gqp n SER 195 Ca 0.07 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1gqp n SER 195 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1gqp n SER 195 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1gqp n ASP 196 N -0.51 1.39 -4.55 4.04 2.03 -0.12 -5.09 116.55 113.73 1gqp n ASP 196 Ca 0.01 -0.01 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1gqp n ASP 196 Cb 0.00 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1gqp n ASP 196 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gqp n ALA 197 N -0.44 -0.61 -2.44 -1.67 0.00 0.21 -4.66 120.51 110.91 1gqp n ALA 197 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 1gqp n ALA 197 Cb 0.00 -1.95 -0.14 0.00 0.00 0.00 0.00 19.45 17.37 1gqp n ALA 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1gqp s ARG 198 N -1.70 1.42 0.22 0.00 3.52 -0.49 -4.87 118.95 117.05 1gqp s ARG 198 Ca 0.62 -1.16 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 1gqp s ARG 198 Cb -0.63 -1.71 -0.11 0.00 -1.56 0.00 0.00 34.95 30.94 1gqp s ARG 198 CO 0.58 0.42 1.64 0.12 -0.81 0.00 0.00 175.30 177.25 1gqp s PHE 199 N -0.96 2.92 -0.12 5.12 5.36 -1.26 -1.71 117.98 127.32 1gqp s PHE 199 Ca 0.10 0.53 -0.05 0.00 -0.96 0.00 0.00 56.93 56.55 1gqp s PHE 199 Cb -0.10 -4.06 -0.05 0.00 -0.34 0.00 0.00 43.02 38.47 1gqp s PHE 199 CO 0.04 -3.87 -0.15 0.98 -1.46 0.00 0.00 175.22 170.76 1gqp n TYR 200 N 3.54 0.00 -3.48 10.12 9.36 0.12 -4.91 117.16 131.91 1gqp n TYR 200 Ca 0.13 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.23 1gqp n TYR 200 Cb 0.37 -0.42 -0.03 0.00 -0.63 0.00 0.00 39.34 38.62 1gqp n TYR 200 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1gqp s LYS 201 N -2.22 1.06 -0.17 2.98 2.20 -1.07 -4.76 119.74 117.76 1gqp s LYS 201 Ca -0.16 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 55.22 1gqp s LYS 201 Cb 0.06 0.49 -0.01 0.00 -1.51 0.00 0.00 37.83 36.86 1gqp s LYS 201 CO 0.21 -0.42 -0.08 1.41 -0.36 0.00 0.00 175.35 176.11 1gqp s MET 202 N -2.76 3.43 -0.26 4.03 -2.45 0.05 -0.80 119.30 120.54 1gqp s MET 202 Ca -0.01 -0.63 -0.11 0.00 -1.25 0.00 0.00 55.69 53.69 1gqp s MET 202 Cb -0.01 -2.85 -0.05 0.00 1.25 0.00 0.00 34.83 33.18 1gqp s MET 202 CO -0.05 0.03 0.18 -0.51 1.05 0.00 0.00 175.02 175.72 1gqp s LEU 203 N 0.85 4.07 -0.48 4.11 1.43 0.15 -0.05 118.68 128.76 1gqp s LEU 203 Ca -0.02 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1gqp s LEU 203 Cb -0.15 -2.12 0.10 0.00 0.03 0.00 0.00 46.19 44.05 1gqp s LEU 203 CO 0.01 0.00 0.40 -1.61 0.23 0.00 0.00 176.35 175.38 1gqp s GLU 204 N 1.43 2.85 -1.10 1.70 2.02 0.09 -1.12 118.70 124.58 1gqp s GLU 204 Ca 0.08 -1.53 -0.18 0.00 0.02 0.00 0.00 54.97 53.36 1gqp s GLU 204 Cb -0.15 -4.09 0.12 0.00 0.10 0.00 0.00 34.13 30.11 1gqp s GLU 204 CO 0.08 -1.12 1.40 0.08 0.02 0.00 0.00 175.26 175.72 1gqp s VAL 205 N 1.56 4.54 -0.11 2.63 1.01 -0.09 -0.38 120.40 129.55 1gqp s VAL 205 Ca 0.04 -1.81 -0.24 0.00 0.00 0.00 0.00 61.98 59.96 1gqp s VAL 205 Cb -0.26 -4.96 -0.27 0.00 0.00 0.00 0.00 36.38 30.89 1gqp s VAL 205 CO 0.04 -1.73 0.73 0.03 0.00 0.00 0.00 175.10 174.17 1gqp h ARG 206 N 8.26 0.13 -1.47 2.72 3.08 -1.35 -3.42 114.38 122.33 1gqp h ARG 206 Ca 0.27 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1gqp h ARG 206 Cb 0.95 0.08 -0.26 0.00 0.08 0.00 0.00 29.97 30.82 1gqp h ARG 206 CO 1.28 1.10 -0.39 1.21 -1.07 0.00 0.00 179.97 182.10 1gqp s ASN 207 N -6.63 -0.52 -0.14 7.04 2.47 -0.63 -4.99 114.94 111.54 1gqp s ASN 207 Ca -0.18 0.47 -0.13 0.00 0.42 0.00 0.00 52.86 53.44 1gqp s ASN 207 Cb 0.00 1.60 0.04 0.00 -1.45 0.00 0.00 41.25 41.44 1gqp s ASN 207 CO 0.73 -0.29 0.38 -0.69 -3.72 0.00 0.00 177.10 173.51 1gqp s VAL 208 N 2.69 -0.00 -0.33 -5.21 1.01 -1.26 -1.13 120.40 116.17 1gqp s VAL 208 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1gqp s VAL 208 Cb -0.15 -0.53 0.14 0.00 0.00 0.00 0.00 36.38 35.85 1gqp s VAL 208 CO -0.19 0.00 0.32 0.20 0.00 0.00 0.00 175.10 175.43 1gqp s ASN 209 N 0.28 1.62 0.00 3.32 0.01 -1.22 -2.23 114.94 116.71 1gqp s ASN 209 Ca -0.01 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.94 1gqp s ASN 209 Cb -0.03 0.44 0.00 0.00 0.41 0.00 0.00 41.25 42.07 1gqp s ASN 209 CO -0.00 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 1gqp n GLY 210 N 4.79 0.35 3.74 0.66 0.00 0.90 -4.95 105.19 110.67 1gqp n GLY 210 Ca 0.04 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 1gqp n GLY 210 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gqp s TRP 211 N -1.89 3.78 -0.09 1.61 0.52 -1.26 -1.46 118.94 120.15 1gqp s TRP 211 Ca 0.00 1.64 0.04 0.00 0.02 0.00 0.00 56.10 57.80 1gqp s TRP 211 Cb 0.00 -2.93 -0.01 0.00 -1.15 0.00 0.00 33.47 29.38 1gqp s TRP 211 CO 0.00 0.26 -0.21 0.14 0.02 0.00 0.00 176.95 177.16 1gqp s VAL 212 N -0.11 2.38 -0.25 4.03 -7.23 -0.20 -0.76 120.40 118.27 1gqp s VAL 212 Ca 0.42 -0.93 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1gqp s VAL 212 Cb -0.22 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 1gqp s VAL 212 CO 0.26 0.56 0.03 0.00 -0.31 0.00 0.00 175.10 175.64 1gqp s ALA 213 N 0.06 3.01 -0.26 1.32 0.00 0.51 -0.66 121.76 125.74 1gqp s ALA 213 Ca -0.09 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.48 1gqp s ALA 213 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1gqp s ALA 213 CO 0.06 -0.56 0.52 -0.51 0.00 0.00 0.00 175.76 175.27 1gqp s LEU 214 N 1.54 4.06 0.00 0.00 1.43 0.57 -4.55 118.68 121.73 1gqp s LEU 214 Ca 0.05 0.50 0.21 0.00 -1.03 0.00 0.00 54.13 53.86 1gqp s LEU 214 Cb -0.15 -2.66 -0.18 0.00 0.03 0.00 0.00 46.19 43.23 1gqp s LEU 214 CO 0.01 -0.30 0.93 0.54 0.23 0.00 0.00 176.35 177.76 1gqp n ARG 215 N 5.56 0.37 -3.55 1.70 5.12 -1.26 -1.70 116.66 122.91 1gqp n ARG 215 Ca -0.04 -0.24 -0.26 0.00 -1.93 0.00 0.00 57.85 55.38 1gqp n ARG 215 Cb 0.50 -1.48 0.03 0.00 -1.16 0.00 0.00 32.46 30.35 1gqp n ARG 215 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1gqp n PHE 216 N -1.14 -2.24 0.16 -1.55 3.01 -1.26 -4.55 117.46 109.89 1gqp n PHE 216 Ca 0.05 0.75 0.11 0.00 1.01 0.00 0.00 57.45 59.37 1gqp n PHE 216 Cb 0.36 -4.09 0.57 0.00 -0.01 0.00 0.00 39.48 36.31 1gqp n PHE 216 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1gqp n LEU 217 N -4.41 0.54 -4.75 4.37 4.77 -1.26 -3.78 117.00 112.47 1gqp n LEU 217 Ca -0.01 0.74 -0.31 0.00 -0.03 0.00 0.00 56.01 56.41 1gqp n LEU 217 Cb 0.56 -0.80 0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1gqp n LEU 217 CO 0.62 -0.93 0.69 -1.81 -1.33 0.00 0.00 177.39 174.64 1gqp s ASP 218 N -3.97 4.21 -0.57 -1.43 -0.00 -1.26 -4.21 116.67 109.43 1gqp s ASP 218 Ca -0.02 1.80 -0.19 0.00 -0.00 0.00 0.00 52.55 54.15 1gqp s ASP 218 Cb 0.06 -2.48 0.03 0.00 -0.00 0.00 0.00 42.92 40.53 1gqp s ASP 218 CO 0.19 -2.22 0.64 -3.20 -0.00 0.00 0.00 175.17 170.58 1gqp n ASN 219 N -3.64 -6.39 0.00 0.27 5.15 -1.26 -4.28 115.26 105.11 1gqp n ASN 219 Ca 0.09 -0.13 0.07 0.00 -0.60 0.00 0.00 54.58 54.01 1gqp n ASN 219 Cb 0.53 -3.25 0.37 0.00 -0.53 0.00 0.00 39.78 36.91 1gqp n ASN 219 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1gqp n ARG 220 N -0.99 0.19 0.28 1.20 1.85 -1.26 -2.85 116.66 115.08 1gqp n ARG 220 Ca -0.07 0.16 -0.18 0.00 -1.00 0.00 0.00 57.85 56.76 1gqp n ARG 220 Cb 0.60 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.42 1gqp n ARG 220 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1gqp h GLU 221 N 0.00 -0.92 0.00 2.89 4.11 -1.95 0.37 114.58 119.08 1gqp h GLU 221 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1gqp h GLU 221 Cb 0.16 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1gqp h GLU 221 CO 0.00 -0.61 0.00 -0.25 0.07 0.00 0.00 179.01 178.22 1gqp n ASP 222 N -5.55 0.00 -3.13 3.06 9.92 -1.13 -4.91 116.55 114.81 1gqp n ASP 222 Ca -0.12 -1.68 -0.21 0.00 -0.53 0.00 0.00 54.79 52.26 1gqp n ASP 222 Cb 0.44 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.94 1gqp n ASP 222 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1gqp n ASP 223 N -0.61 -6.93 -2.37 -2.24 -0.08 0.13 -3.51 116.55 100.95 1gqp n ASP 223 Ca 0.05 0.26 -0.13 0.00 -1.51 0.00 0.00 54.79 53.47 1gqp n ASP 223 Cb 0.02 -3.80 -0.01 0.00 2.34 0.00 0.00 41.12 39.68 1gqp n ASP 223 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gqp n GLN 224 N -0.21 -2.13 -4.30 -0.67 1.13 -1.23 -4.97 117.38 105.00 1gqp n GLN 224 Ca 0.03 0.63 -0.17 0.00 -1.94 0.00 0.00 57.00 55.55 1gqp n GLN 224 Cb 0.55 -5.21 -0.10 0.00 0.11 0.00 0.00 30.24 25.59 1gqp n GLN 224 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1gqp s LEU 225 N -5.50 2.52 -0.75 1.08 1.43 -1.23 -4.59 118.68 111.64 1gqp s LEU 225 Ca 0.00 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.13 1gqp s LEU 225 Cb 0.00 -0.55 0.18 0.00 0.03 0.00 0.00 46.19 45.86 1gqp s LEU 225 CO 0.00 -0.22 0.58 -0.22 0.23 0.00 0.00 176.35 176.72 1gqp s LEU 226 N -3.11 5.15 -0.43 1.79 2.96 0.46 -4.84 118.68 120.66 1gqp s LEU 226 Ca 0.18 -3.54 -0.29 0.00 -0.22 0.00 0.00 54.13 50.27 1gqp s LEU 226 Cb -0.00 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1gqp s LEU 226 CO 0.04 -0.19 1.43 -0.54 -1.32 0.00 0.00 176.35 175.77 1gqp s LYS 227 N -1.05 3.52 0.18 1.98 1.02 -1.25 -2.44 119.74 121.70 1gqp s LYS 227 Ca 0.24 0.88 -0.24 0.00 0.02 0.00 0.00 55.97 56.87 1gqp s LYS 227 Cb -0.11 -4.05 0.05 0.00 -0.52 0.00 0.00 37.83 33.21 1gqp s LYS 227 CO -0.11 -1.64 0.89 0.00 -0.92 0.00 0.00 175.35 173.57 1gqp n GLN 229 N -0.46 1.29 -4.63 0.00 7.27 -0.15 0.10 117.38 120.80 1gqp n GLN 229 Ca -0.06 -0.02 -0.23 0.00 0.07 0.00 0.00 57.00 56.77 1gqp n GLN 229 Cb 0.60 -0.97 -0.15 0.00 2.41 0.00 0.00 30.24 32.13 1gqp n GLN 229 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 1gqp s PHE 230 N -1.99 1.30 0.01 3.69 5.36 0.20 -0.45 117.98 126.10 1gqp s PHE 230 Ca -0.01 -0.31 0.04 0.00 -0.96 0.00 0.00 56.93 55.69 1gqp s PHE 230 Cb 0.02 -0.87 -0.01 0.00 -0.34 0.00 0.00 43.02 41.81 1gqp s PHE 230 CO 0.10 -0.09 -0.11 0.42 -1.46 0.00 0.00 175.22 174.08 1gqp s ILE 231 N -0.07 0.89 -0.04 3.12 1.01 0.72 -0.72 121.20 126.11 1gqp s ILE 231 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1gqp s ILE 231 Cb -0.08 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1gqp s ILE 231 CO 0.01 0.14 -0.13 -0.60 0.00 0.00 0.00 174.94 174.36 1gqp s ARG 232 N -0.54 1.40 -0.13 2.79 3.52 0.54 -0.12 118.95 126.41 1gqp s ARG 232 Ca 0.03 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 1gqp s ARG 232 Cb -0.05 -1.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.11 1gqp s ARG 232 CO 0.00 0.15 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.91 1gqp s LEU 233 N 0.21 2.14 -0.10 -0.88 1.43 0.46 -0.16 118.68 121.79 1gqp s LEU 233 Ca -0.05 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1gqp s LEU 233 Cb -0.11 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1gqp s LEU 233 CO 0.02 0.11 -0.08 -0.76 0.23 0.00 0.00 176.35 175.86 1gqp s LEU 234 N 0.63 3.04 -0.45 1.79 1.43 -0.06 -0.21 118.68 124.86 1gqp s LEU 234 Ca -0.11 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1gqp s LEU 234 Cb -0.16 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.50 1gqp s LEU 234 CO 0.02 0.28 0.18 -0.36 0.23 0.00 0.00 176.35 176.71 1gqp s PHE 235 N -0.32 3.22 -0.54 0.29 0.40 -0.02 -0.96 117.98 120.05 1gqp s PHE 235 Ca 0.04 -3.01 0.24 0.00 -0.60 0.00 0.00 56.93 53.60 1gqp s PHE 235 Cb -0.13 -2.74 0.32 0.00 0.51 0.00 0.00 43.02 40.98 1gqp s PHE 235 CO 0.02 -0.82 1.34 -1.00 0.70 0.00 0.00 175.22 175.47 1gqp h PRO 236 N 6.93 0.00 -2.07 0.24 0.13 -1.83 -0.56 132.00 134.84 1gqp h PRO 236 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1gqp h PRO 236 Cb 0.94 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.87 1gqp h PRO 236 CO 0.61 0.00 0.15 0.54 -0.23 0.00 0.00 178.00 179.07 1gqp s VAL 237 N -3.21 0.00 0.39 1.56 0.11 -1.26 -4.74 120.40 113.25 1gqp s VAL 237 Ca 0.05 -0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 1gqp s VAL 237 Cb 0.12 -0.97 -0.07 0.00 -1.53 0.00 0.00 36.38 33.92 1gqp s VAL 237 CO 0.72 -0.01 0.03 0.20 -3.33 0.00 0.00 175.10 172.71 1gqp s ASN 238 N -0.88 4.01 0.68 3.54 0.02 -1.26 -1.24 114.94 119.80 1gqp s ASN 238 Ca -0.09 -1.24 -0.13 0.00 -1.02 0.00 0.00 52.86 50.38 1gqp s ASN 238 Cb -0.01 -0.42 0.01 0.00 0.02 0.00 0.00 41.25 40.84 1gqp s ASN 238 CO 0.08 -0.41 1.07 -1.00 0.02 0.00 0.00 177.10 176.86 1gqp s HIS 239 N -2.65 2.90 -1.48 2.20 3.76 0.17 -4.23 115.29 115.96 1gqp s HIS 239 Ca 0.36 1.49 -0.02 0.00 -0.15 0.00 0.00 55.06 56.74 1gqp s HIS 239 Cb 0.06 -2.99 0.02 0.00 1.11 0.00 0.00 32.58 30.79 1gqp s HIS 239 CO 0.19 -1.38 0.36 0.39 -0.85 0.00 0.00 174.74 173.45 1gqp n GLU 240 N -2.82 -2.72 -1.58 1.40 1.02 -1.26 -1.84 120.64 112.83 1gqp n GLU 240 Ca 0.09 0.33 -0.20 0.00 -0.02 0.00 0.00 57.16 57.35 1gqp n GLU 240 Cb 0.53 -4.38 -0.09 0.00 -0.02 0.00 0.00 31.44 27.48 1gqp n GLU 240 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1gqp n ASN 241 N -2.92 -5.55 -4.74 1.62 5.15 -1.26 -4.67 115.26 102.89 1gqp n ASN 241 Ca -0.27 0.50 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 1gqp n ASN 241 Cb 0.67 -4.82 -0.03 0.00 -0.53 0.00 0.00 39.78 35.07 1gqp n ASN 241 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1gqp s GLY 242 N -2.75 2.55 -0.12 8.20 0.00 -0.77 -4.96 107.32 109.48 1gqp s GLY 242 Ca 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 1gqp s GLY 242 CO 0.00 2.00 -0.01 1.70 0.00 0.00 0.00 173.10 176.78 1gqp h LYS 243 N 5.19 0.00 -6.73 2.90 3.64 -1.92 -3.37 116.57 116.28 1gqp h LYS 243 Ca -0.45 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.47 1gqp h LYS 243 Cb 1.21 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1gqp h LYS 243 CO 0.76 0.06 -0.07 -0.51 -2.27 0.00 0.00 179.45 177.41 1gqp s ASP 244 N -5.66 5.83 0.24 4.20 1.01 -1.26 -4.77 116.67 116.26 1gqp s ASP 244 Ca -0.06 0.33 0.11 0.00 0.71 0.00 0.00 52.55 53.64 1gqp s ASP 244 Cb 0.01 -1.56 -0.05 0.00 1.01 0.00 0.00 42.92 42.33 1gqp s ASP 244 CO 0.10 -0.72 -0.17 -0.89 0.21 0.00 0.00 175.17 173.71 1gqp s THR 245 N -2.59 2.70 0.11 -1.27 2.01 -1.26 -4.23 115.64 111.11 1gqp s THR 245 Ca 0.49 -2.12 0.10 0.00 0.31 0.00 0.00 61.69 60.46 1gqp s THR 245 Cb -0.10 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1gqp s THR 245 CO 0.38 -0.28 -0.22 -1.00 -0.69 0.00 0.00 174.62 172.81 1gqp s HIS 246 N -2.14 2.43 -0.20 4.92 3.76 -0.22 -2.36 115.29 121.47 1gqp s HIS 246 Ca 0.27 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 1gqp s HIS 246 Cb -0.07 -1.32 0.09 0.00 1.11 0.00 0.00 32.58 32.40 1gqp s HIS 246 CO 0.14 0.33 0.23 -1.17 -0.85 0.00 0.00 174.74 173.42 1gqp s LEU 247 N -1.96 -0.12 0.23 0.89 0.20 -0.79 -4.78 118.68 112.35 1gqp s LEU 247 Ca 0.15 -0.21 0.23 0.00 0.69 0.00 0.00 54.13 54.99 1gqp s LEU 247 Cb -0.10 0.40 0.05 0.00 -0.43 0.00 0.00 46.19 46.11 1gqp s LEU 247 CO 0.07 -0.33 1.12 0.03 -0.29 0.00 0.00 176.35 176.96 1gqp h ARG 248 N 8.31 0.00 -1.30 1.98 3.08 -1.79 -1.35 114.38 123.31 1gqp h ARG 248 Ca -0.17 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.02 1gqp h ARG 248 Cb 1.15 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.90 1gqp h ARG 248 CO 0.28 0.00 0.67 0.20 -1.07 0.00 0.00 179.97 180.05 1gqp s GLY 249 N -4.32 0.17 -0.11 0.04 0.00 -1.22 -4.37 107.32 97.51 1gqp s GLY 249 Ca 0.01 3.21 -0.15 0.00 0.00 0.00 0.00 44.72 47.79 1gqp s GLY 249 CO 0.77 2.03 0.39 -1.50 0.00 0.00 0.00 173.10 174.80 1gqp s ILE 250 N 0.30 0.02 0.01 0.90 2.07 -0.09 -1.24 121.20 123.16 1gqp s ILE 250 Ca 0.03 -0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 1gqp s ILE 250 Cb -0.05 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 1gqp s ILE 250 CO -0.12 -0.07 0.03 -0.13 -1.91 0.00 0.00 174.94 172.75 1gqp s ARG 251 N -0.28 0.32 -0.05 3.50 1.81 0.28 -4.69 118.95 119.85 1gqp s ARG 251 Ca -0.04 -0.44 0.05 0.00 -1.72 0.00 0.00 55.73 53.58 1gqp s ARG 251 Cb -0.03 0.12 -0.01 0.00 -0.45 0.00 0.00 34.95 34.58 1gqp s ARG 251 CO 0.02 -0.06 -0.22 -0.51 -0.68 0.00 0.00 175.30 173.85 1gqp s LEU 252 N -1.20 2.01 0.10 2.53 1.43 -1.26 -0.55 118.68 121.74 1gqp s LEU 252 Ca -0.13 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 1gqp s LEU 252 Cb -0.08 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1gqp s LEU 252 CO -0.00 0.21 -0.15 -0.31 0.23 0.00 0.00 176.35 176.32 1gqp s TYR 253 N -0.07 1.40 0.11 0.29 1.51 -0.21 -1.04 117.35 119.33 1gqp s TYR 253 Ca -0.04 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.60 1gqp s TYR 253 Cb -0.13 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1gqp s TYR 253 CO 0.03 0.13 -0.21 0.14 -1.11 0.00 0.00 175.55 174.53 1gqp s VAL 254 N -1.68 1.73 1.18 0.71 -7.23 -0.52 -0.45 120.40 114.15 1gqp s VAL 254 Ca 0.05 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 1gqp s VAL 254 Cb -0.07 -1.58 0.25 0.00 0.56 0.00 0.00 36.38 35.53 1gqp s VAL 254 CO 0.03 -0.07 0.69 -2.65 -0.31 0.00 0.00 175.10 172.79 1gqp n PRO 255 N 1.05 -2.39 -0.65 4.82 -0.02 -1.26 0.21 135.00 136.75 1gqp n PRO 255 Ca -0.19 -0.68 0.00 0.00 -2.02 0.00 0.00 63.50 60.61 1gqp n PRO 255 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1gqp n PRO 255 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93