#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 1.53 -0.39 -3.33 1.01 -1.26 -1.36 120.40 116.60 1gqp s VAL 64 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1gqp s VAL 64 Cb 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1gqp s VAL 64 CO 0.00 0.23 0.24 -0.22 0.00 0.00 0.00 175.10 175.35 1gqp s LEU 65 N 1.46 4.90 -0.39 3.92 0.20 0.21 -4.98 118.68 124.01 1gqp s LEU 65 Ca 0.01 -1.13 -0.23 0.00 0.69 0.00 0.00 54.13 53.46 1gqp s LEU 65 Cb -0.15 -2.03 0.01 0.00 -0.43 0.00 0.00 46.19 43.59 1gqp s LEU 65 CO -0.09 -0.44 0.79 -0.69 -0.29 0.00 0.00 176.35 175.63 1gqp s VAL 66 N 1.54 4.70 -0.39 1.68 1.01 -1.26 -0.81 120.40 126.87 1gqp s VAL 66 Ca 0.02 0.77 -0.20 0.00 0.00 0.00 0.00 61.98 62.57 1gqp s VAL 66 Cb -0.20 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1gqp s VAL 66 CO 0.06 -0.52 0.62 -0.76 0.00 0.00 0.00 175.10 174.50 1gqp s LEU 67 N 3.17 4.36 -0.28 3.92 1.43 0.15 -4.95 118.68 126.49 1gqp s LEU 67 Ca 0.31 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1gqp s LEU 67 Cb -0.13 -2.73 0.14 0.00 0.03 0.00 0.00 46.19 43.50 1gqp s LEU 67 CO 0.19 -0.65 0.32 -0.62 0.23 0.00 0.00 176.35 175.82 1gqp s ASP 68 N 1.87 1.31 0.00 2.29 3.68 -1.26 -1.16 116.67 123.41 1gqp s ASP 68 Ca 0.23 -0.60 0.00 0.00 2.13 0.00 0.00 52.55 54.31 1gqp s ASP 68 Cb -0.14 0.66 0.00 0.00 -1.45 0.00 0.00 42.92 41.99 1gqp s ASP 68 CO 0.16 -0.37 0.74 -0.90 0.13 0.00 0.00 175.17 174.92 1gqp n ASP 69 N 5.32 0.26 0.03 -0.34 5.68 -0.26 -2.87 116.55 124.37 1gqp n ASP 69 Ca -0.02 -1.73 0.11 0.00 -0.50 0.00 0.00 54.79 52.65 1gqp n ASP 69 Cb 0.47 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1gqp n ASP 69 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gqp n ARG 70 N -0.33 0.37 -3.13 0.11 1.74 -1.26 0.12 116.66 114.28 1gqp n ARG 70 Ca 0.00 -0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.61 1gqp n ARG 70 Cb 0.06 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 1gqp n ARG 70 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gqp s ILE 71 N -3.26 4.99 0.26 0.55 1.01 -1.14 -4.80 121.20 118.82 1gqp s ILE 71 Ca 0.01 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 1gqp s ILE 71 Cb 0.14 -4.54 -0.11 0.00 0.01 0.00 0.00 42.46 37.96 1gqp s ILE 71 CO 0.82 -1.18 1.52 -0.69 0.00 0.00 0.00 174.94 175.42 1gqp s VAL 72 N 2.10 2.37 -0.30 2.92 1.01 -1.26 -4.98 120.40 122.26 1gqp s VAL 72 Ca 0.17 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 1gqp s VAL 72 Cb -0.17 -3.20 0.14 0.00 0.00 0.00 0.00 36.38 33.15 1gqp s VAL 72 CO -0.00 0.05 0.83 -0.62 0.00 0.00 0.00 175.10 175.35 1gqp s ASP 73 N 0.48 -0.83 0.46 3.32 -1.08 -1.26 -5.02 116.67 112.74 1gqp s ASP 73 Ca 0.62 1.17 0.18 0.00 -0.52 0.00 0.00 52.55 54.00 1gqp s ASP 73 Cb -0.45 1.85 1.16 0.00 -1.46 0.00 0.00 42.92 44.02 1gqp s ASP 73 CO 0.44 -0.17 1.96 0.00 0.52 0.00 0.00 175.17 177.93 1gqp h ALA 74 N 7.51 2.21 0.00 3.66 0.00 -2.01 -0.27 119.26 130.36 1gqp h ALA 74 Ca -0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1gqp h ALA 74 Cb 1.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1gqp h ALA 74 CO 0.11 -0.38 -0.16 0.00 0.00 0.00 0.00 179.25 178.81 1gqp h ALA 75 N 1.69 1.29 -0.23 0.00 0.00 -1.99 -3.06 119.26 116.96 1gqp h ALA 75 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1gqp h ALA 75 Cb 0.82 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1gqp h ALA 75 CO -0.07 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1gqp n THR 76 N -3.70 1.51 -0.14 0.00 -2.24 -0.14 -4.69 114.28 104.88 1gqp n THR 76 Ca -0.02 -1.42 0.01 0.00 -2.27 0.00 0.00 64.05 60.35 1gqp n THR 76 Cb 0.28 0.18 0.29 0.00 -2.10 0.00 0.00 70.33 68.97 1gqp n THR 76 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1gqp h LYS 77 N 1.43 0.84 -0.00 -0.78 2.10 -1.39 -1.32 116.57 117.45 1gqp h LYS 77 Ca 0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1gqp h LYS 77 Cb 0.96 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1gqp h LYS 77 CO 0.07 0.59 -0.05 -0.25 -2.00 0.00 0.00 179.45 177.81 1gqp n ASP 78 N -4.41 0.15 0.05 7.07 8.00 -1.26 -3.23 116.55 122.91 1gqp n ASP 78 Ca 0.06 -0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.12 1gqp n ASP 78 Cb 0.07 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 40.81 1gqp n ASP 78 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1gqp h LEU 79 N 0.16 0.47 -7.95 0.64 5.85 -1.48 -3.40 115.31 109.60 1gqp h LEU 79 Ca 0.00 -0.95 -0.72 0.00 0.84 0.00 0.00 57.88 57.05 1gqp h LEU 79 Cb 0.32 -0.15 -0.20 0.00 0.37 0.00 0.00 40.66 40.99 1gqp h LEU 79 CO 0.00 1.38 0.53 -0.31 -0.34 0.00 0.00 178.44 179.70 1gqp s TYR 80 N -2.47 3.31 0.38 1.25 1.51 -1.10 -1.14 117.35 119.10 1gqp s TYR 80 Ca -0.14 -1.53 0.11 0.00 -1.01 0.00 0.00 57.07 54.50 1gqp s TYR 80 Cb 0.01 -4.11 0.89 0.00 -0.11 0.00 0.00 41.96 38.64 1gqp s TYR 80 CO 0.83 -1.31 1.91 0.28 -1.11 0.00 0.00 175.55 176.14 1gqp h VAL 81 N 5.50 0.86 -0.53 0.71 2.07 -1.60 -1.07 116.25 122.18 1gqp h VAL 81 Ca 0.09 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1gqp h VAL 81 Cb 1.04 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1gqp h VAL 81 CO 0.99 0.11 0.00 0.59 0.02 0.00 0.00 177.57 179.28 1gqp n ASN 82 N -4.51 3.30 0.00 0.57 3.02 -1.26 -4.93 115.26 111.45 1gqp n ASN 82 Ca 0.15 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1gqp n ASN 82 Cb 0.44 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1gqp n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gqp n GLY 83 N 1.18 -0.92 3.87 7.41 0.00 -0.41 -4.95 105.19 111.37 1gqp n GLY 83 Ca 0.19 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 1gqp n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gqp s PHE 84 N -1.15 3.44 0.53 1.61 0.40 -1.26 -4.92 117.98 116.63 1gqp s PHE 84 Ca 0.00 1.10 -0.09 0.00 -0.60 0.00 0.00 56.93 57.34 1gqp s PHE 84 Cb 0.00 -2.47 0.13 0.00 0.51 0.00 0.00 43.02 41.18 1gqp s PHE 84 CO 0.00 -0.05 0.63 0.94 0.70 0.00 0.00 175.22 177.44 1gqp n GLN 85 N -1.01 -1.12 -3.18 0.44 7.27 0.32 -5.00 117.38 115.10 1gqp n GLN 85 Ca 0.03 -0.98 -0.39 0.00 0.07 0.00 0.00 57.00 55.73 1gqp n GLN 85 Cb 0.54 -0.73 -0.05 0.00 2.41 0.00 0.00 30.24 32.40 1gqp n GLN 85 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1gqp s ASN 92 N -3.30 6.89 0.63 1.69 0.02 -1.26 -5.02 114.94 114.58 1gqp s ASN 92 Ca 0.37 1.06 -0.19 0.00 -1.02 0.00 0.00 52.86 53.08 1gqp s ASN 92 Cb -0.02 -2.36 -0.02 0.00 0.02 0.00 0.00 41.25 38.88 1gqp s ASN 92 CO 0.27 -0.01 1.29 -2.84 0.02 0.00 0.00 177.10 175.83 1gqp s PRO 93 N 0.44 2.69 0.88 -0.60 0.02 -1.26 -4.98 135.00 132.20 1gqp s PRO 93 Ca 0.32 2.06 -0.13 0.00 0.02 0.00 0.00 61.00 63.27 1gqp s PRO 93 Cb -0.17 -1.91 0.13 0.00 0.02 0.00 0.00 34.50 32.56 1gqp s PRO 93 CO 0.15 -1.49 1.18 0.95 -0.33 0.00 0.00 177.00 177.46 1gqp s THR 94 N -1.40 1.98 0.44 0.99 -4.23 -1.26 -4.83 115.64 107.34 1gqp s THR 94 Ca 0.80 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.46 1gqp s THR 94 Cb -0.37 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 70.77 1gqp s THR 94 CO 0.40 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.81 1gqp h PRO 95 N -1.37 0.00 -0.41 3.99 0.11 -1.99 -1.54 132.00 130.79 1gqp h PRO 95 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1gqp h PRO 95 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1gqp h PRO 95 CO 0.59 0.19 -0.10 0.93 -0.21 0.00 0.00 178.00 179.41 1gqp h GLU 96 N 0.00 0.80 0.15 1.05 3.07 -1.99 -0.22 114.58 117.44 1gqp h GLU 96 Ca -0.00 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1gqp h GLU 96 Cb 0.35 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1gqp h GLU 96 CO 0.03 0.93 -0.07 -0.91 -1.40 0.00 0.00 179.01 177.58 1gqp h ASN 97 N 0.62 -0.17 -0.64 1.42 -0.26 -1.79 -1.15 115.58 113.61 1gqp h ASN 97 Ca 0.10 -0.16 0.11 0.00 -0.56 0.00 0.00 56.30 55.79 1gqp h ASN 97 Cb 0.63 0.04 -0.08 0.00 -1.06 0.00 0.00 38.32 37.85 1gqp h ASN 97 CO 0.04 0.07 0.21 -0.07 -1.06 0.00 0.00 177.43 176.62 1gqp h LEU 98 N -0.41 0.15 -0.27 1.61 3.38 -1.25 0.24 115.31 118.77 1gqp h LEU 98 Ca -0.02 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1gqp h LEU 98 Cb 0.32 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1gqp h LEU 98 CO 0.03 0.08 -0.02 -0.61 0.09 0.00 0.00 178.44 178.01 1gqp h GLN 99 N 0.36 0.05 -0.29 1.13 5.75 -0.88 -0.90 115.11 120.34 1gqp h GLN 99 Ca 0.34 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1gqp h GLN 99 Cb 0.47 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1gqp h GLN 99 CO -0.37 0.04 0.17 1.25 -2.65 0.00 0.00 178.83 177.27 1gqp h HIS 100 N 0.05 0.39 -0.81 3.99 2.76 0.28 -1.33 115.15 120.48 1gqp h HIS 100 Ca 0.13 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 1gqp h HIS 100 Cb 0.18 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.95 1gqp h HIS 100 CO -0.23 0.30 0.49 0.52 -1.30 0.00 0.00 177.93 177.71 1gqp h MET 101 N 0.37 0.85 0.42 5.26 2.86 -0.25 0.35 114.93 124.78 1gqp h MET 101 Ca 0.10 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1gqp h MET 101 Cb 0.03 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1gqp h MET 101 CO -0.02 0.56 -0.20 0.35 1.06 0.00 0.00 176.91 178.66 1gqp h PHE 102 N 0.88 -0.52 -0.10 -0.22 3.57 -0.55 0.12 116.94 120.11 1gqp h PHE 102 Ca 0.36 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.72 1gqp h PHE 102 Cb 0.21 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1gqp h PHE 102 CO -0.05 -0.31 -0.50 0.45 -2.23 0.00 0.00 178.31 175.67 1gqp h HIS 103 N -0.58 0.33 -0.60 0.41 3.86 -1.01 -2.54 115.15 115.03 1gqp h HIS 103 Ca -0.06 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 58.96 1gqp h HIS 103 Cb 0.44 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1gqp h HIS 103 CO -0.04 0.72 0.03 0.37 0.86 0.00 0.00 177.93 179.87 1gqp h GLN 104 N 0.22 1.03 -0.38 2.45 5.75 -0.15 -1.79 115.11 122.24 1gqp h GLN 104 Ca 0.01 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 58.16 1gqp h GLN 104 Cb 0.96 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1gqp h GLN 104 CO 0.08 0.98 0.03 0.78 -2.65 0.00 0.00 178.83 178.05 1gqp h GLY 105 N 1.01 0.62 0.92 2.39 0.00 -0.58 0.75 103.07 108.19 1gqp h GLY 105 Ca 0.18 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1gqp h GLY 105 CO 0.02 0.34 -0.07 -2.22 0.00 0.00 0.00 176.54 174.61 1gqp h ILE 106 N 0.56 1.28 -0.35 2.60 2.04 -1.03 -1.00 117.51 121.61 1gqp h ILE 106 Ca 0.12 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1gqp h ILE 106 Cb 0.31 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1gqp h ILE 106 CO 0.01 0.37 0.16 -0.33 0.00 0.00 0.00 178.15 178.35 1gqp h GLU 107 N 0.44 0.52 -0.46 2.37 4.39 -0.86 0.37 114.58 121.35 1gqp h GLU 107 Ca 0.09 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1gqp h GLU 107 Cb 0.57 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 1gqp h GLU 107 CO 0.03 0.48 0.22 0.82 -1.16 0.00 0.00 179.01 179.41 1gqp h ILE 108 N 0.43 0.95 -0.32 3.13 2.04 -0.77 -0.53 117.51 122.44 1gqp h ILE 108 Ca 0.12 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1gqp h ILE 108 Cb 0.15 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1gqp h ILE 108 CO -0.01 0.08 -0.11 -0.07 0.00 0.00 0.00 178.15 178.03 1gqp h LEU 109 N 0.44 0.65 -1.01 1.44 3.38 -0.93 -3.15 115.31 116.13 1gqp h LEU 109 Ca 0.20 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1gqp h LEU 109 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1gqp h LEU 109 CO -0.15 0.89 -0.49 0.44 0.09 0.00 0.00 178.44 179.22 1gqp h ASP 110 N 0.41 0.00 0.00 -0.43 3.32 -0.78 -2.54 116.42 116.40 1gqp h ASP 110 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1gqp h ASP 110 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1gqp h ASP 110 CO 0.04 0.49 0.00 -1.54 -1.72 0.00 0.00 179.24 176.51 1gqp n SER 111 N -3.93 0.00 -4.87 6.45 3.41 -0.22 -4.83 113.62 109.63 1gqp n SER 111 Ca -0.01 -1.44 -0.24 0.00 -0.26 0.00 0.00 58.87 56.92 1gqp n SER 111 Cb 0.51 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 1gqp n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gqp s ALA 112 N -2.00 3.54 -0.47 7.33 0.00 -0.96 -4.96 121.76 124.24 1gqp s ALA 112 Ca 0.16 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 1gqp s ALA 112 Cb 0.07 -2.28 -0.20 0.00 0.00 0.00 0.00 23.12 20.72 1gqp s ALA 112 CO 0.12 -1.14 3.21 -2.13 0.00 0.00 0.00 175.76 175.82 1gqp n ARG 113 N -2.69 2.34 -4.07 0.00 0.63 -1.26 -4.84 116.66 106.76 1gqp n ARG 113 Ca 0.10 -1.28 -0.08 0.00 -0.92 0.00 0.00 57.85 55.66 1gqp n ARG 113 Cb 0.60 -2.20 -0.10 0.00 0.45 0.00 0.00 32.46 31.20 1gqp n ARG 113 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1gqp s MET 114 N 1.54 0.54 -0.23 -0.14 1.00 -1.26 -3.26 119.30 117.49 1gqp s MET 114 Ca 0.63 -1.04 -0.06 0.00 0.00 0.00 0.00 55.69 55.22 1gqp s MET 114 Cb 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 34.83 35.17 1gqp s MET 114 CO -0.02 -0.07 0.04 0.42 0.00 0.00 0.00 175.02 175.39 1gqp s ILE 115 N -3.06 4.19 -0.59 2.53 1.01 0.14 -4.86 121.20 120.56 1gqp s ILE 115 Ca 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 1gqp s ILE 115 Cb 0.02 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.56 1gqp s ILE 115 CO -0.06 0.38 1.47 0.21 0.00 0.00 0.00 174.94 176.93 1gqp s ASN 116 N 1.36 6.01 -0.19 3.58 3.84 -1.26 -1.32 114.94 126.94 1gqp s ASN 116 Ca 0.05 0.20 0.15 0.00 0.21 0.00 0.00 52.86 53.47 1gqp s ASN 116 Cb -0.15 -2.55 0.74 0.00 -0.55 0.00 0.00 41.25 38.75 1gqp s ASN 116 CO 0.02 -1.83 1.66 1.33 -2.79 0.00 0.00 177.10 175.50 1gqp n VAL 117 N 6.84 2.44 -0.05 -5.21 0.24 -0.71 -4.68 118.33 117.20 1gqp n VAL 117 Ca 0.12 -1.43 -0.08 0.00 -2.04 0.00 0.00 64.34 60.91 1gqp n VAL 117 Cb 0.49 -0.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.69 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 3.62 0.39 0.00 3.34 2.02 -1.88 -2.22 112.91 118.18 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 1.75 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1gqp h THR 118 CO 0.38 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.68 1gqp n HIS 119 N -5.38 0.00 0.08 3.16 8.25 -1.26 -2.98 115.22 117.09 1gqp n HIS 119 Ca -0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1gqp n HIS 119 Cb 0.29 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.61 0.73 -4.93 2.41 4.77 -0.83 -4.94 117.00 113.60 1gqp n LEU 120 Ca 0.05 0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 56.06 1gqp n LEU 120 Cb 0.02 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1gqp n LEU 120 CO 0.04 -0.12 0.33 0.00 -1.33 0.00 0.00 177.39 176.30 1gqp s ALA 121 N -3.33 3.56 -0.21 -1.18 0.00 -1.16 -4.60 121.76 114.85 1gqp s ALA 121 Ca -0.02 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 1gqp s ALA 121 Cb 0.10 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1gqp s ALA 121 CO 0.81 -0.27 0.34 -1.17 0.00 0.00 0.00 175.76 175.46 1gqp s LEU 122 N -4.58 4.15 -0.22 0.00 2.96 0.72 -4.90 118.68 116.81 1gqp s LEU 122 Ca 0.45 0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 54.72 1gqp s LEU 122 Cb -0.10 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1gqp s LEU 122 CO 0.41 -0.03 0.05 0.26 -1.32 0.00 0.00 176.35 175.71 1gqp s TRP 123 N 1.21 3.12 -0.22 5.38 0.52 -1.26 -1.46 118.94 126.23 1gqp s TRP 123 Ca 0.16 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 55.99 1gqp s TRP 123 Cb -0.14 -2.15 0.06 0.00 -1.15 0.00 0.00 33.47 30.09 1gqp s TRP 123 CO 0.07 -0.18 -0.01 0.21 0.02 0.00 0.00 176.95 177.06 1gqp s LYS 124 N 1.10 1.13 0.37 4.98 2.20 0.48 -4.99 119.74 125.01 1gqp s LYS 124 Ca 0.04 -0.71 -0.14 0.00 -0.36 0.00 0.00 55.97 54.79 1gqp s LYS 124 Cb -0.14 -2.35 -0.08 0.00 -1.51 0.00 0.00 37.83 33.75 1gqp s LYS 124 CO 0.03 -0.63 0.78 -1.25 -0.36 0.00 0.00 175.35 173.92 1gqp s PRO 125 N 1.63 3.95 0.38 4.03 0.04 -1.26 -0.50 135.00 143.26 1gqp s PRO 125 Ca -0.03 0.67 0.08 0.00 0.04 0.00 0.00 61.00 61.76 1gqp s PRO 125 Cb -0.18 -2.38 0.75 0.00 0.04 0.00 0.00 34.50 32.73 1gqp s PRO 125 CO -0.07 0.05 1.91 0.66 0.04 0.00 0.00 177.00 179.59 1gqp h SER 126 N 1.84 0.29 -5.06 6.66 4.64 -0.90 -3.46 113.55 117.57 1gqp h SER 126 Ca -0.48 -0.06 0.05 0.00 -0.47 0.00 0.00 61.79 60.84 1gqp h SER 126 Cb 1.18 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1gqp h SER 126 CO 0.64 0.42 0.29 -0.94 -0.87 0.00 0.00 176.83 176.38 1gqp s SER 127 N -6.84 -0.12 -0.20 4.97 1.04 -1.26 -5.00 113.70 106.29 1gqp s SER 127 Ca -0.06 -0.82 -0.29 0.00 0.48 0.00 0.00 55.95 55.26 1gqp s SER 127 Cb 0.15 0.74 0.14 0.00 0.10 0.00 0.00 66.02 67.16 1gqp s SER 127 CO 0.74 -1.43 1.07 0.72 0.98 0.00 0.00 173.24 175.32 1gqp s PHE 128 N -3.07 -0.31 0.21 5.02 -0.12 -1.26 -4.34 117.98 114.10 1gqp s PHE 128 Ca 0.14 0.57 -0.25 0.00 -0.05 0.00 0.00 56.93 57.34 1gqp s PHE 128 Cb -0.05 0.45 -0.08 0.00 -0.63 0.00 0.00 43.02 42.71 1gqp s PHE 128 CO 0.08 -0.27 0.82 0.21 -0.05 0.00 0.00 175.22 176.01 1gqp s LYS 129 N -0.93 4.56 0.24 1.99 2.20 -0.33 -4.59 119.74 122.88 1gqp s LYS 129 Ca 0.01 1.19 -0.31 0.00 -0.36 0.00 0.00 55.97 56.49 1gqp s LYS 129 Cb -0.01 -3.13 -0.12 0.00 -1.51 0.00 0.00 37.83 33.06 1gqp s LYS 129 CO -0.01 0.49 1.69 -0.51 -0.36 0.00 0.00 175.35 176.65 1gqp s LEU 130 N -1.43 4.36 0.00 5.43 1.43 -1.26 -0.82 118.68 126.39 1gqp s LEU 130 Ca 0.40 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 1gqp s LEU 130 Cb -0.22 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1gqp s LEU 130 CO 0.26 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1gqp n GLY 131 N 3.41 1.20 2.40 -3.19 0.00 -1.26 -4.93 105.19 102.81 1gqp n GLY 131 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 1.95 -4.67 1.61 3.02 0.00 -5.01 115.26 112.16 1gqp n ASN 132 Ca 0.00 -3.15 -0.29 0.00 -0.03 0.00 0.00 54.58 51.11 1gqp n ASN 132 Cb 0.00 -0.62 0.16 0.00 -0.61 0.00 0.00 39.78 38.71 1gqp n ASN 132 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1gqp s PRO 133 N -2.37 0.70 0.46 3.52 0.04 -1.26 -2.14 135.00 133.96 1gqp s PRO 133 Ca 0.41 0.31 0.12 0.00 0.04 0.00 0.00 61.00 61.88 1gqp s PRO 133 Cb 0.26 -1.79 1.05 0.00 0.04 0.00 0.00 34.50 34.06 1gqp s PRO 133 CO -0.09 -2.50 2.08 -0.24 0.04 0.00 0.00 177.00 176.29 1gqp h VAL 134 N -1.72 1.06 -0.30 -0.36 3.04 -1.94 -1.31 116.25 114.73 1gqp h VAL 134 Ca -0.52 -0.18 0.09 0.00 -1.01 0.00 0.00 66.70 65.08 1gqp h VAL 134 Cb 1.33 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1gqp h VAL 134 CO 0.58 0.07 0.27 0.44 -1.01 0.00 0.00 177.57 177.92 1gqp h ASP 135 N 0.23 0.00 0.56 3.17 3.32 -1.96 0.32 116.42 122.07 1gqp h ASP 135 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1gqp h ASP 135 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1gqp h ASP 135 CO -0.01 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.00 1gqp n PHE 136 N -4.02 0.24 1.16 4.55 3.01 -0.49 -1.74 117.46 120.16 1gqp n PHE 136 Ca 0.04 0.09 0.12 0.00 1.01 0.00 0.00 57.45 58.72 1gqp n PHE 136 Cb 0.42 -0.65 0.22 0.00 -0.01 0.00 0.00 39.48 39.46 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 -1.58 2.94 -0.46 4.37 0.00 0.10 -3.90 120.51 121.99 1gqp n ALA 137 Ca 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 53.44 52.92 1gqp n ALA 137 Cb 0.19 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 0.27 1.40 -0.65 0.00 4.77 -0.71 -1.38 117.00 120.70 1gqp n LEU 138 Ca 0.13 -1.51 0.12 0.00 -0.03 0.00 0.00 56.01 54.72 1gqp n LEU 138 Cb 0.46 -0.04 0.38 0.00 -2.33 0.00 0.00 43.42 41.89 1gqp n LEU 138 CO 0.22 0.37 0.78 -0.90 -1.33 0.00 0.00 177.39 176.53 1gqp n ASP 139 N -0.43 1.99 -2.91 -1.43 3.85 -1.01 -4.95 116.55 111.65 1gqp n ASP 139 Ca 0.01 -1.69 -0.22 0.00 -0.71 0.00 0.00 54.79 52.18 1gqp n ASP 139 Cb 0.37 -0.06 0.03 0.00 -1.35 0.00 0.00 41.12 40.12 1gqp n ASP 139 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1gqp n ASP 140 N 0.54 -6.08 -3.96 -1.12 8.00 -1.26 -4.98 116.55 107.69 1gqp n ASP 140 Ca 0.17 -0.26 -0.25 0.00 0.71 0.00 0.00 54.79 55.16 1gqp n ASP 140 Cb 0.41 -4.91 -0.17 0.00 -0.02 0.00 0.00 41.12 36.43 1gqp n ASP 140 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1gqp s ASN 141 N -2.65 1.93 0.21 -2.24 3.84 -1.26 -5.02 114.94 109.75 1gqp s ASN 141 Ca 0.27 -0.29 -0.02 0.00 0.21 0.00 0.00 52.86 53.03 1gqp s ASN 141 Cb -0.12 -0.81 0.16 0.00 -0.55 0.00 0.00 41.25 39.93 1gqp s ASN 141 CO 0.34 -0.05 1.54 0.22 -2.79 0.00 0.00 177.10 176.36 1gqp h TYR 142 N 7.60 0.65 0.00 0.43 3.20 -1.93 -3.18 116.97 123.75 1gqp h TYR 142 Ca -0.31 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.35 1gqp h TYR 142 Cb 1.16 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1gqp h TYR 142 CO 0.48 0.92 0.00 -0.25 -1.64 0.00 0.00 178.16 177.68 1gqp n ASP 143 N -3.98 0.00 -4.64 -2.11 10.43 -1.26 -4.80 116.55 110.20 1gqp n ASP 143 Ca -0.03 0.43 -0.31 0.00 2.57 0.00 0.00 54.79 57.46 1gqp n ASP 143 Cb 0.57 -0.47 -0.09 0.00 1.84 0.00 0.00 41.12 42.97 1gqp n ASP 143 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1gqp s THR 144 N -2.94 3.79 -0.02 -3.53 -4.23 -1.20 -5.12 115.64 102.38 1gqp s THR 144 Ca 0.12 -0.95 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 1gqp s THR 144 Cb 0.14 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1gqp s THR 144 CO 0.39 0.22 0.37 0.72 -0.54 0.00 0.00 174.62 175.79 1gqp s PHE 145 N -1.18 -0.26 0.25 3.99 -0.12 -1.25 -4.41 117.98 115.00 1gqp s PHE 145 Ca 0.22 0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 57.22 1gqp s PHE 145 Cb -0.11 0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 42.33 1gqp s PHE 145 CO 0.13 -0.42 1.09 -0.46 -0.05 0.00 0.00 175.22 175.51 1gqp s TRP 146 N -1.28 3.61 -0.09 3.49 -0.00 -0.33 -4.47 118.94 119.87 1gqp s TRP 146 Ca -0.13 1.69 0.01 0.00 -0.00 0.00 0.00 56.10 57.67 1gqp s TRP 146 Cb -0.04 -3.26 0.02 0.00 -0.00 0.00 0.00 33.47 30.19 1gqp s TRP 146 CO 0.05 -0.49 -0.08 -1.14 -0.00 0.00 0.00 176.95 175.29 1gqp s GLN 147 N -1.16 1.43 1.05 5.86 0.74 -0.91 -2.05 119.66 124.62 1gqp s GLN 147 Ca 0.45 -0.26 -0.14 0.00 0.05 0.00 0.00 55.36 55.47 1gqp s GLN 147 Cb -0.31 -1.39 0.21 0.00 1.10 0.00 0.00 33.01 32.62 1gqp s GLN 147 CO 0.39 -0.15 1.09 -1.54 -0.55 0.00 0.00 175.29 174.53 1gqp s SER 148 N 1.30 2.21 -0.47 6.67 1.04 -0.74 -1.19 113.70 122.52 1gqp s SER 148 Ca -0.03 1.07 0.06 0.00 0.48 0.00 0.00 55.95 57.54 1gqp s SER 148 Cb -0.14 -1.67 0.23 0.00 0.10 0.00 0.00 66.02 64.54 1gqp s SER 148 CO -0.03 -3.38 0.76 -0.67 0.98 0.00 0.00 173.24 170.90 1gqp n ASP 149 N -4.32 -2.25 -2.19 7.02 2.03 -1.26 -4.17 116.55 111.40 1gqp n ASP 149 Ca 0.06 -3.08 0.01 0.00 0.52 0.00 0.00 54.79 52.31 1gqp n ASP 149 Cb 0.58 1.20 0.01 0.00 -0.72 0.00 0.00 41.12 42.19 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 1.86 0.50 3.79 0.27 0.00 -1.26 -4.61 105.19 105.75 1gqp n GLY 150 Ca 0.14 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.14 1.63 0.38 -0.02 0.00 -1.26 -4.79 107.32 100.12 1gqp s GLY 151 Ca 0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.59 1gqp s GLY 151 CO -0.00 0.27 0.73 1.20 0.00 0.00 0.00 173.10 175.29 1gqp s GLN 152 N -5.11 3.76 0.47 2.90 -0.21 -1.26 -4.29 119.66 115.92 1gqp s GLN 152 Ca 0.61 0.40 -0.18 0.00 0.02 0.00 0.00 55.36 56.21 1gqp s GLN 152 Cb -0.15 -2.44 -0.09 0.00 1.00 0.00 0.00 33.01 31.33 1gqp s GLN 152 CO 0.55 0.02 0.94 -1.25 -2.12 0.00 0.00 175.29 173.43 1gqp s PRO 153 N -3.75 4.04 0.45 2.91 0.04 -1.26 -5.09 135.00 132.34 1gqp s PRO 153 Ca 0.50 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 1gqp s PRO 153 Cb -0.10 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1gqp s PRO 153 CO 0.30 -0.14 0.72 -1.01 0.04 0.00 0.00 177.00 176.91 1gqp s HIS 154 N -2.41 3.52 0.01 0.56 3.76 -0.20 -4.84 115.29 115.69 1gqp s HIS 154 Ca 0.59 0.65 -0.01 0.00 -0.15 0.00 0.00 55.06 56.15 1gqp s HIS 154 Cb -0.10 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.38 1gqp s HIS 154 CO 0.24 -0.19 -0.01 -1.14 -0.85 0.00 0.00 174.74 172.79 1gqp s GLN 155 N -4.62 0.23 -0.10 1.40 0.74 -1.26 -0.73 119.66 115.31 1gqp s GLN 155 Ca 0.46 -0.40 -0.02 0.00 0.05 0.00 0.00 55.36 55.45 1gqp s GLN 155 Cb -0.10 0.08 0.03 0.00 1.10 0.00 0.00 33.01 34.13 1gqp s GLN 155 CO 0.42 -0.04 -0.00 -1.17 -0.55 0.00 0.00 175.29 173.95 1gqp s LEU 156 N -0.99 0.79 -0.15 3.68 2.96 -0.22 -0.10 118.68 124.65 1gqp s LEU 156 Ca -0.11 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1gqp s LEU 156 Cb -0.07 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 1gqp s LEU 156 CO -0.01 -0.21 0.01 -1.81 -1.32 0.00 0.00 176.35 173.02 1gqp s ASP 157 N 1.91 5.24 -0.15 3.68 1.11 0.35 -1.13 116.67 127.67 1gqp s ASP 157 Ca 0.04 0.03 0.01 0.00 0.18 0.00 0.00 52.55 52.81 1gqp s ASP 157 Cb -0.13 -1.77 0.02 0.00 1.07 0.00 0.00 42.92 42.10 1gqp s ASP 157 CO -0.06 0.23 -0.17 -0.63 1.18 0.00 0.00 175.17 175.72 1gqp s ILE 158 N 0.01 1.78 -0.09 0.77 1.01 0.11 -0.38 121.20 124.41 1gqp s ILE 158 Ca 0.03 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1gqp s ILE 158 Cb -0.13 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.74 1gqp s ILE 158 CO 0.02 0.49 -0.09 -0.32 0.00 0.00 0.00 174.94 175.05 1gqp s MET 159 N 1.27 1.50 0.28 2.79 1.75 -0.54 -0.54 119.30 125.82 1gqp s MET 159 Ca 0.02 -0.28 0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1gqp s MET 159 Cb -0.14 -1.45 -0.03 0.00 2.84 0.00 0.00 34.83 36.06 1gqp s MET 159 CO -0.09 -0.16 0.45 -0.06 -0.65 0.00 0.00 175.02 174.51 1gqp s PHE 160 N 1.31 3.48 -0.49 4.11 0.40 -0.25 -0.20 117.98 126.34 1gqp s PHE 160 Ca -0.03 0.19 0.24 0.00 -0.60 0.00 0.00 56.93 56.73 1gqp s PHE 160 Cb -0.14 -1.75 0.98 0.00 0.51 0.00 0.00 43.02 42.62 1gqp s PHE 160 CO -0.04 0.29 1.72 -1.13 0.70 0.00 0.00 175.22 176.76 1gqp n SER 161 N -1.48 0.69 -3.78 1.36 3.41 -1.26 -4.83 113.62 107.72 1gqp n SER 161 Ca -0.07 0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 59.13 1gqp n SER 161 Cb 0.56 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1gqp n SER 161 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1gqp s LYS 162 N -3.31 1.77 -0.12 4.33 0.00 -1.26 -5.12 119.74 116.03 1gqp s LYS 162 Ca 0.04 -1.13 -0.29 0.00 0.00 0.00 0.00 55.97 54.59 1gqp s LYS 162 Cb 0.09 0.57 -0.05 0.00 0.00 0.00 0.00 37.83 38.44 1gqp s LYS 162 CO 0.40 -0.79 1.84 0.50 0.00 0.00 0.00 175.35 177.30 1gqp s ARG 163 N -3.75 3.83 0.26 1.78 3.52 -1.26 -4.59 118.95 118.74 1gqp s ARG 163 Ca 0.15 2.10 0.06 0.00 -0.13 0.00 0.00 55.73 57.91 1gqp s ARG 163 Cb -0.04 -4.13 -0.03 0.00 -1.56 0.00 0.00 34.95 29.19 1gqp s ARG 163 CO 0.08 -1.28 0.30 -1.64 -0.81 0.00 0.00 175.30 171.96 1gqp s MET 164 N 4.83 3.18 -0.84 5.12 -1.94 0.52 -4.88 119.30 125.28 1gqp s MET 164 Ca 0.82 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 1gqp s MET 164 Cb -0.33 -2.74 0.21 0.00 2.01 0.00 0.00 34.83 33.98 1gqp s MET 164 CO 0.34 0.37 0.70 -0.51 -0.01 0.00 0.00 175.02 175.91 1gqp s ASP 165 N -3.94 5.66 -0.29 3.03 -0.00 -1.26 -1.58 116.67 118.28 1gqp s ASP 165 Ca 0.35 -3.77 -0.29 0.00 -0.00 0.00 0.00 52.55 48.84 1gqp s ASP 165 Cb -0.08 -1.83 -0.01 0.00 -0.00 0.00 0.00 42.92 41.00 1gqp s ASP 165 CO 0.27 -0.15 1.50 -0.63 -0.00 0.00 0.00 175.17 176.16 1gqp s ILE 166 N -1.39 3.85 -0.12 0.77 -1.09 -0.97 -3.77 121.20 118.49 1gqp s ILE 166 Ca 0.27 0.93 0.20 0.00 -2.23 0.00 0.00 60.65 59.82 1gqp s ILE 166 Cb -0.06 -3.93 -0.24 0.00 -1.58 0.00 0.00 42.46 36.64 1gqp s ILE 166 CO -0.14 -0.45 0.50 0.00 -1.23 0.00 0.00 174.94 173.62 1gqp s VAL 168 N -3.10 -0.02 -0.23 0.00 1.01 -1.16 -4.43 120.40 112.47 1gqp s VAL 168 Ca -0.07 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1gqp s VAL 168 Cb 0.10 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 36.13 1gqp s VAL 168 CO 0.86 0.03 -0.14 -0.32 0.00 0.00 0.00 175.10 175.53 1gqp s MET 169 N 0.82 2.43 -0.16 2.72 1.75 -0.56 -0.93 119.30 125.38 1gqp s MET 169 Ca -0.06 -1.12 -0.07 0.00 -1.25 0.00 0.00 55.69 53.19 1gqp s MET 169 Cb -0.07 -2.72 -0.04 0.00 2.84 0.00 0.00 34.83 34.84 1gqp s MET 169 CO -0.05 -0.44 0.09 0.00 -0.65 0.00 0.00 175.02 173.96 1gqp s ALA 170 N 1.20 3.55 -0.03 4.11 0.00 0.27 -1.08 121.76 129.78 1gqp s ALA 170 Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1gqp s ALA 170 Cb -0.17 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.02 1gqp s ALA 170 CO -0.08 0.31 -0.08 0.42 0.00 0.00 0.00 175.76 176.33 1gqp s ILE 171 N -0.06 0.74 -0.27 0.00 1.01 0.34 -0.75 121.20 122.21 1gqp s ILE 171 Ca 0.08 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1gqp s ILE 171 Cb -0.12 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1gqp s ILE 171 CO 0.01 0.25 0.52 0.12 0.00 0.00 0.00 174.94 175.83 1gqp s PHE 172 N 0.40 3.25 -0.04 3.97 5.36 -0.17 -0.53 117.98 130.23 1gqp s PHE 172 Ca -0.06 0.59 0.07 0.00 -0.96 0.00 0.00 56.93 56.56 1gqp s PHE 172 Cb -0.11 -2.76 -0.01 0.00 -0.34 0.00 0.00 43.02 39.81 1gqp s PHE 172 CO 0.01 -0.32 -0.25 -0.06 -1.46 0.00 0.00 175.22 173.14 1gqp s PHE 173 N 2.34 2.36 -0.31 10.12 0.40 -0.63 -4.51 117.98 127.75 1gqp s PHE 173 Ca 0.21 -0.62 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1gqp s PHE 173 Cb -0.16 -1.54 0.16 0.00 0.51 0.00 0.00 43.02 41.99 1gqp s PHE 173 CO 0.10 -0.16 0.40 0.45 0.70 0.00 0.00 175.22 176.70 1gqp s SER 174 N -0.29 0.65 0.48 1.36 0.15 -1.25 -0.83 113.70 113.97 1gqp s SER 174 Ca 0.01 -0.72 0.15 0.00 0.70 0.00 0.00 55.95 56.09 1gqp s SER 174 Cb -0.12 0.95 1.12 0.00 -1.71 0.00 0.00 66.02 66.25 1gqp s SER 174 CO 0.02 -0.33 2.06 0.24 1.20 0.00 0.00 173.24 176.44 1gqp h MET 175 N 7.88 0.01 0.01 5.44 2.86 -1.80 0.73 114.93 130.07 1gqp h MET 175 Ca -0.06 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1gqp h MET 175 Cb 1.10 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1gqp h MET 175 CO 0.25 0.10 -0.01 0.82 1.06 0.00 0.00 176.91 179.14 1gqp h ILE 176 N 0.01 1.33 -0.13 -1.22 1.08 -1.94 -0.53 117.51 116.13 1gqp h ILE 176 Ca 0.00 -1.05 -0.18 0.00 -0.39 0.00 0.00 64.86 63.24 1gqp h ILE 176 Cb 0.17 2.04 0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1gqp h ILE 176 CO 0.01 0.27 -0.63 0.00 -0.69 0.00 0.00 178.15 177.11 1gqp h ALA 177 N 0.52 0.25 0.00 1.87 0.00 -1.91 -3.34 119.26 116.64 1gqp h ALA 177 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1gqp h ALA 177 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1gqp h ALA 177 CO 0.00 0.52 -0.75 -0.44 0.00 0.00 0.00 179.25 178.58 1gqp h ASP 178 N 0.32 0.00 0.00 0.00 3.45 -0.96 -3.49 116.42 115.73 1gqp h ASP 178 Ca -0.04 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.34 1gqp h ASP 178 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 1gqp h ASP 178 CO 0.13 0.04 0.00 -0.62 -1.57 0.00 0.00 179.24 177.22 1gqp n GLU 179 N -2.53 0.00 0.14 3.56 1.02 -0.21 -0.60 120.64 122.02 1gqp n GLU 179 Ca 0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1gqp n GLU 179 Cb 0.51 0.00 0.50 0.00 -0.02 0.00 0.00 31.44 32.43 1gqp n GLU 179 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1gqp n SER 180 N 5.26 0.71 -0.14 1.62 3.41 -1.26 -2.16 113.62 121.06 1gqp n SER 180 Ca 0.00 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 1gqp n SER 180 Cb 0.00 -0.82 0.55 0.00 -0.26 0.00 0.00 64.21 63.68 1gqp n SER 180 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1gqp n TYR 181 N -2.28 0.00 -2.72 7.33 4.02 0.23 -3.88 117.16 119.85 1gqp n TYR 181 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1gqp n TYR 181 Cb 0.24 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 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 -2.49 3.47 0.46 -0.72 0.00 -0.92 -0.87 121.76 120.70 1gqp s ALA 182 Ca 0.27 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 1gqp s ALA 182 Cb 0.20 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1gqp s ALA 182 CO 0.49 -0.68 1.31 -2.14 0.00 0.00 0.00 175.76 174.74 1gqp s PRO 183 N 2.21 3.63 -0.03 0.00 0.02 -1.26 -0.78 135.00 138.80 1gqp s PRO 183 Ca 0.46 2.15 0.16 0.00 0.02 0.00 0.00 61.00 63.78 1gqp s PRO 183 Cb -0.17 -2.52 -0.24 0.00 0.02 0.00 0.00 34.50 31.58 1gqp s PRO 183 CO 0.15 -0.76 0.33 -1.13 -0.33 0.00 0.00 177.00 175.25 1gqp n SER 184 N -0.39 1.35 -3.87 2.53 3.41 -0.18 -4.62 113.62 111.86 1gqp n SER 184 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 1gqp n SER 184 Cb 0.45 1.66 -0.13 0.00 -0.26 0.00 0.00 64.21 65.92 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 -4.19 1.87 -0.03 1.04 1.43 -1.21 -1.39 118.68 116.22 1gqp s LEU 185 Ca -0.06 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1gqp s LEU 185 Cb 0.10 0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.47 1gqp s LEU 185 CO 0.66 -0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 176.45 1gqp s VAL 186 N -0.11 0.53 -0.16 -1.59 1.01 -0.53 -4.07 120.40 115.48 1gqp s VAL 186 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1gqp s VAL 186 Cb -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1gqp s VAL 186 CO 0.00 0.19 -0.09 -0.54 0.00 0.00 0.00 175.10 174.66 1gqp s LYS 187 N 0.41 3.45 -0.19 2.72 1.02 -0.31 -0.27 119.74 126.57 1gqp s LYS 187 Ca -0.05 -0.63 -0.04 0.00 0.02 0.00 0.00 55.97 55.27 1gqp s LYS 187 Cb -0.09 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1gqp s LYS 187 CO 0.00 0.11 -0.04 0.08 -0.92 0.00 0.00 175.35 174.59 1gqp s VAL 188 N 0.65 3.65 0.15 3.17 1.01 0.25 -0.90 120.40 128.37 1gqp s VAL 188 Ca -0.05 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.62 1gqp s VAL 188 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1gqp s VAL 188 CO 0.02 0.45 -0.25 -0.31 0.00 0.00 0.00 175.10 175.01 1gqp s TYR 189 N 0.95 2.24 0.03 5.22 1.51 0.36 0.44 117.35 128.10 1gqp s TYR 189 Ca 0.00 -0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 1gqp s TYR 189 Cb -0.15 -1.18 0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1gqp s TYR 189 CO 0.01 0.37 0.46 0.00 -1.11 0.00 0.00 175.55 175.28 1gqp s ALA 190 N -1.27 -1.16 0.00 3.71 0.00 -0.22 -0.80 121.76 122.03 1gqp s ALA 190 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1gqp s ALA 190 Cb -0.09 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1gqp s ALA 190 CO 0.07 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1gqp n GLY 191 N 0.64 -0.69 0.14 0.00 0.00 0.30 -1.18 105.19 104.40 1gqp n GLY 191 Ca -0.19 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 1gqp n GLY 191 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1gqp h HIS 192 N 0.00 0.75 -2.99 1.61 -0.00 -1.86 0.38 115.15 113.03 1gqp h HIS 192 Ca 0.00 -0.54 0.01 0.00 -0.00 0.00 0.00 60.37 59.83 1gqp h HIS 192 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1gqp h HIS 192 CO 0.00 1.65 0.27 -1.54 -0.00 0.00 0.00 177.93 178.31 1gqp s SER 193 N -7.32 -0.06 0.56 3.10 1.04 -1.26 -4.01 113.70 105.75 1gqp s SER 193 Ca -0.15 -1.01 0.26 0.00 0.48 0.00 0.00 55.95 55.54 1gqp s SER 193 Cb 0.05 0.82 1.53 0.00 0.10 0.00 0.00 66.02 68.51 1gqp s SER 193 CO 0.87 -1.59 2.06 -0.65 0.98 0.00 0.00 173.24 174.90 1gqp h PRO 194 N 2.00 0.00 0.00 4.02 0.11 -1.96 -0.48 132.00 135.69 1gqp h PRO 194 Ca -0.29 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 1gqp h PRO 194 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1gqp h PRO 194 CO 0.36 0.00 -0.70 0.77 -0.21 0.00 0.00 178.00 178.22 1gqp h SER 195 N 0.00 0.00 -0.00 -2.05 0.02 -2.02 -3.32 113.55 106.18 1gqp h SER 195 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gqp h SER 195 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1gqp h SER 195 CO -0.00 0.70 -0.24 -0.90 -1.14 0.00 0.00 176.83 175.25 1gqp n ASP 196 N -3.63 0.74 -4.44 3.07 5.75 -0.90 -5.05 116.55 112.08 1gqp n ASP 196 Ca -0.01 -0.87 -0.46 0.00 -0.01 0.00 0.00 54.79 53.44 1gqp n ASP 196 Cb 0.70 0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 41.48 1gqp n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gqp n ALA 197 N -0.69 -2.15 -2.50 2.12 0.00 -0.24 -4.79 120.51 112.27 1gqp n ALA 197 Ca 0.02 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.61 1gqp n ALA 197 Cb 0.14 -1.71 -0.13 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.17 1.25 0.17 0.00 3.52 -0.33 -4.89 118.95 117.50 1gqp s ARG 198 Ca 0.62 -1.13 -0.31 0.00 -0.13 0.00 0.00 55.73 54.78 1gqp s ARG 198 Cb -0.84 -1.51 -0.09 0.00 -1.56 0.00 0.00 34.95 30.95 1gqp s ARG 198 CO 0.57 0.36 1.46 0.12 -0.81 0.00 0.00 175.30 177.01 1gqp s PHE 199 N -1.05 3.13 -0.06 5.12 5.36 -1.26 -1.05 117.98 128.16 1gqp s PHE 199 Ca 0.08 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 56.90 1gqp s PHE 199 Cb -0.10 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.75 1gqp s PHE 199 CO 0.04 -2.81 -0.06 0.66 -1.46 0.00 0.00 175.22 171.58 1gqp n TYR 200 N 3.54 0.00 -3.52 10.12 4.01 0.17 -4.91 117.16 126.58 1gqp n TYR 200 Ca 0.11 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.67 1gqp n TYR 200 Cb 0.40 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 39.14 1gqp n TYR 200 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1gqp s LYS 201 N -2.12 1.07 -0.21 -0.72 2.20 -0.87 -4.88 119.74 114.21 1gqp s LYS 201 Ca -0.08 0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1gqp s LYS 201 Cb 0.03 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1gqp s LYS 201 CO 0.13 -0.34 -0.00 1.41 -0.36 0.00 0.00 175.35 176.19 1gqp s MET 202 N -1.26 3.58 -0.25 4.03 -2.45 -0.46 -0.58 119.30 121.91 1gqp s MET 202 Ca -0.11 -0.54 -0.09 0.00 -1.25 0.00 0.00 55.69 53.71 1gqp s MET 202 Cb -0.00 -3.08 -0.04 0.00 1.25 0.00 0.00 34.83 32.96 1gqp s MET 202 CO 0.09 -0.03 0.11 -0.51 1.05 0.00 0.00 175.02 175.73 1gqp s LEU 203 N 1.10 3.70 -0.46 4.11 1.43 0.62 -0.62 118.68 128.56 1gqp s LEU 203 Ca 0.02 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 1gqp s LEU 203 Cb -0.14 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.17 1gqp s LEU 203 CO 0.01 0.00 0.36 -0.70 0.23 0.00 0.00 176.35 176.25 1gqp s GLU 204 N 1.42 2.77 -1.13 1.70 2.12 0.01 -1.45 118.70 124.14 1gqp s GLU 204 Ca 0.06 -1.51 -0.19 0.00 0.36 0.00 0.00 54.97 53.69 1gqp s GLU 204 Cb -0.15 -4.00 0.08 0.00 0.26 0.00 0.00 34.13 30.33 1gqp s GLU 204 CO 0.05 -1.07 1.51 0.08 -0.54 0.00 0.00 175.26 175.29 1gqp s VAL 205 N 1.51 4.25 -0.08 3.70 1.01 -0.48 0.32 120.40 130.64 1gqp s VAL 205 Ca 0.04 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.26 1gqp s VAL 205 Cb -0.25 -5.05 -0.29 0.00 0.00 0.00 0.00 36.38 30.78 1gqp s VAL 205 CO 0.03 -1.87 0.79 0.03 0.00 0.00 0.00 175.10 174.08 1gqp h ARG 206 N 8.51 0.23 -1.31 2.72 3.08 -1.41 -3.43 114.38 122.77 1gqp h ARG 206 Ca 0.30 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1gqp h ARG 206 Cb 0.94 0.15 -0.24 0.00 0.08 0.00 0.00 29.97 30.90 1gqp h ARG 206 CO 1.37 1.19 -0.41 1.21 -1.07 0.00 0.00 179.97 182.26 1gqp s ASN 207 N -6.86 -0.78 -0.05 7.04 2.47 -0.87 -5.01 114.94 110.86 1gqp s ASN 207 Ca -0.16 0.17 -0.04 0.00 0.42 0.00 0.00 52.86 53.25 1gqp s ASN 207 Cb 0.01 1.69 0.02 0.00 -1.45 0.00 0.00 41.25 41.52 1gqp s ASN 207 CO 0.79 -0.31 0.13 -0.69 -3.72 0.00 0.00 177.10 173.30 1gqp s VAL 208 N 2.72 -0.02 -0.36 -5.21 1.01 -1.26 -1.10 120.40 116.18 1gqp s VAL 208 Ca 0.12 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1gqp s VAL 208 Cb -0.12 -0.20 0.15 0.00 0.00 0.00 0.00 36.38 36.20 1gqp s VAL 208 CO -0.25 0.03 0.30 0.20 0.00 0.00 0.00 175.10 175.38 1gqp s ASN 209 N 0.45 1.94 0.00 3.32 0.01 -1.22 -2.16 114.94 117.28 1gqp s ASN 209 Ca -0.03 -1.75 0.00 0.00 -0.71 0.00 0.00 52.86 50.37 1gqp s ASN 209 Cb -0.05 0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.79 1gqp s ASN 209 CO -0.02 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 1gqp n GLY 210 N 4.26 -0.23 3.76 0.66 0.00 -0.01 -4.96 105.19 108.67 1gqp n GLY 210 Ca 0.10 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.97 3.88 -0.12 1.61 0.52 -1.26 -1.61 118.94 119.99 1gqp s TRP 211 Ca 0.00 1.66 0.02 0.00 0.02 0.00 0.00 56.10 57.80 1gqp s TRP 211 Cb 0.00 -2.84 -0.01 0.00 -1.15 0.00 0.00 33.47 29.48 1gqp s TRP 211 CO 0.00 0.43 -0.18 0.08 0.02 0.00 0.00 176.95 177.30 1gqp s VAL 212 N -0.84 2.57 -0.37 4.03 1.01 0.31 -1.99 120.40 125.12 1gqp s VAL 212 Ca 0.38 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1gqp s VAL 212 Cb -0.23 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.18 1gqp s VAL 212 CO 0.27 0.54 0.15 0.00 0.00 0.00 0.00 175.10 176.06 1gqp s ALA 213 N 0.35 3.10 -0.17 5.51 0.00 -0.29 -0.50 121.76 129.76 1gqp s ALA 213 Ca -0.15 -2.04 -0.19 0.00 0.00 0.00 0.00 51.96 49.58 1gqp s ALA 213 Cb -0.17 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1gqp s ALA 213 CO 0.07 -1.52 0.55 -0.51 0.00 0.00 0.00 175.76 174.36 1gqp s LEU 214 N 1.32 4.19 0.00 0.00 1.43 -0.24 -4.52 118.68 120.86 1gqp s LEU 214 Ca 0.01 0.79 0.23 0.00 -1.03 0.00 0.00 54.13 54.13 1gqp s LEU 214 Cb -0.21 -2.78 0.44 0.00 0.03 0.00 0.00 46.19 43.66 1gqp s LEU 214 CO 0.00 -0.16 1.41 0.54 0.23 0.00 0.00 176.35 178.37 1gqp n ARG 215 N 4.52 2.50 0.00 1.70 5.12 -1.26 -1.49 116.66 127.75 1gqp n ARG 215 Ca -0.04 -2.27 0.00 0.00 -1.93 0.00 0.00 57.85 53.61 1gqp n ARG 215 Cb 0.51 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 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 1.48 0.00 -1.23 -1.55 3.01 -1.26 -4.80 117.46 113.11 1gqp n PHE 216 Ca 0.19 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.36 1gqp n PHE 216 Cb 0.61 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.31 1gqp n PHE 216 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1gqp n LEU 225 N 0.00 0.00 -3.76 4.37 -0.00 -1.26 -5.07 117.00 111.28 1gqp n LEU 225 Ca 0.00 -1.19 -0.27 0.00 -0.00 0.00 0.00 56.01 54.55 1gqp n LEU 225 Cb 0.00 -0.98 -0.17 0.00 -0.00 0.00 0.00 43.42 42.28 1gqp n LEU 225 CO 0.00 -1.97 -0.37 -0.22 -0.00 0.00 0.00 177.39 174.82 1gqp s LEU 226 N 0.00 1.21 -0.57 1.47 2.96 0.13 -4.98 118.68 118.90 1gqp s LEU 226 Ca 0.70 -0.75 -0.26 0.00 -0.22 0.00 0.00 54.13 53.60 1gqp s LEU 226 Cb -0.06 -0.63 0.04 0.00 0.50 0.00 0.00 46.19 46.04 1gqp s LEU 226 CO 0.52 -0.28 1.06 -1.59 -1.32 0.00 0.00 176.35 174.74 1gqp s LYS 227 N 1.83 3.40 0.23 1.98 -2.85 -1.26 -2.30 119.74 120.79 1gqp s LYS 227 Ca -0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 55.97 54.78 1gqp s LYS 227 Cb -0.17 -4.04 -0.00 0.00 -2.06 0.00 0.00 37.83 31.56 1gqp s LYS 227 CO -0.08 -1.60 0.47 0.00 0.10 0.00 0.00 175.35 174.24 1gqp n GLN 229 N -0.36 1.30 -4.55 0.00 7.27 -0.08 -0.36 117.38 120.60 1gqp n GLN 229 Ca -0.03 -0.03 -0.23 0.00 0.07 0.00 0.00 57.00 56.78 1gqp n GLN 229 Cb 0.62 -1.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.11 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 -2.05 1.31 -0.01 3.69 5.36 0.11 -1.09 117.98 125.30 1gqp s PHE 230 Ca -0.01 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 55.59 1gqp s PHE 230 Cb 0.02 -0.94 -0.01 0.00 -0.34 0.00 0.00 43.02 41.75 1gqp s PHE 230 CO 0.15 -0.19 -0.12 0.42 -1.46 0.00 0.00 175.22 174.01 1gqp s ILE 231 N 0.40 0.97 -0.04 3.12 1.01 0.30 -0.54 121.20 126.43 1gqp s ILE 231 Ca -0.08 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1gqp s ILE 231 Cb -0.13 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1gqp s ILE 231 CO 0.02 0.28 -0.07 -0.60 0.00 0.00 0.00 174.94 174.57 1gqp s ARG 232 N -0.28 0.90 -0.10 2.79 3.52 0.02 0.10 118.95 125.90 1gqp s ARG 232 Ca 0.05 -0.20 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 1gqp s ARG 232 Cb -0.05 -0.85 -0.01 0.00 -1.56 0.00 0.00 34.95 32.48 1gqp s ARG 232 CO -0.00 0.01 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.80 1gqp s LEU 233 N 0.55 2.38 -0.06 -0.88 1.43 -0.29 -0.48 118.68 121.34 1gqp s LEU 233 Ca -0.08 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1gqp s LEU 233 Cb -0.11 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1gqp s LEU 233 CO 0.01 0.20 -0.20 -0.76 0.23 0.00 0.00 176.35 175.82 1gqp s LEU 234 N 0.13 2.35 -0.50 1.79 1.43 -0.08 -1.06 118.68 122.75 1gqp s LEU 234 Ca -0.10 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1gqp s LEU 234 Cb -0.16 -1.45 0.13 0.00 0.03 0.00 0.00 46.19 44.74 1gqp s LEU 234 CO 0.06 0.28 0.27 -0.36 0.23 0.00 0.00 176.35 176.83 1gqp s PHE 235 N -0.36 3.45 -0.21 0.29 0.40 0.09 -1.16 117.98 120.49 1gqp s PHE 235 Ca 0.03 -2.82 0.17 0.00 -0.60 0.00 0.00 56.93 53.71 1gqp s PHE 235 Cb -0.12 -3.06 0.07 0.00 0.51 0.00 0.00 43.02 40.42 1gqp s PHE 235 CO 0.02 -0.86 1.32 -1.00 0.70 0.00 0.00 175.22 175.39 1gqp h PRO 236 N 7.22 0.00 -2.15 0.24 0.13 -1.84 -0.50 132.00 135.10 1gqp h PRO 236 Ca -0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 1gqp h PRO 236 Cb 0.97 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.91 1gqp h PRO 236 CO 0.67 0.33 0.12 0.54 -0.23 0.00 0.00 178.00 179.42 1gqp s VAL 237 N -3.03 0.01 0.37 1.56 0.11 -1.26 -4.75 120.40 113.39 1gqp s VAL 237 Ca 0.03 -0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 1gqp s VAL 237 Cb 0.07 -0.94 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 1gqp s VAL 237 CO 0.75 -0.03 -0.05 0.20 -3.33 0.00 0.00 175.10 172.64 1gqp s ASN 238 N -1.04 3.82 0.65 3.54 0.02 -1.26 -1.01 114.94 119.66 1gqp s ASN 238 Ca -0.10 -1.24 -0.14 0.00 -1.02 0.00 0.00 52.86 50.36 1gqp s ASN 238 Cb -0.01 -0.38 -0.01 0.00 0.02 0.00 0.00 41.25 40.87 1gqp s ASN 238 CO 0.08 -0.29 1.08 -1.00 0.02 0.00 0.00 177.10 176.99 1gqp s HIS 239 N -2.64 2.84 -1.35 2.20 3.76 0.04 -4.28 115.29 115.87 1gqp s HIS 239 Ca 0.34 1.52 -0.02 0.00 -0.15 0.00 0.00 55.06 56.74 1gqp s HIS 239 Cb 0.05 -3.04 -0.00 0.00 1.11 0.00 0.00 32.58 30.69 1gqp s HIS 239 CO 0.17 -1.40 0.54 0.39 -0.85 0.00 0.00 174.74 173.59 1gqp n GLU 240 N -2.51 -3.53 -2.00 1.40 1.02 -1.26 -2.39 120.64 111.36 1gqp n GLU 240 Ca 0.09 0.47 -0.18 0.00 -0.02 0.00 0.00 57.16 57.53 1gqp n GLU 240 Cb 0.53 -4.68 -0.04 0.00 -0.02 0.00 0.00 31.44 27.23 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 -2.97 -4.96 -4.71 1.62 5.15 -1.26 -4.70 115.26 103.42 1gqp n ASN 241 Ca -0.29 0.23 -0.42 0.00 -0.60 0.00 0.00 54.58 53.51 1gqp n ASN 241 Cb 0.67 -4.28 -0.03 0.00 -0.53 0.00 0.00 39.78 35.61 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 -2.25 2.61 -0.11 8.20 0.00 -1.01 -4.97 107.32 109.78 1gqp s GLY 242 Ca 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 44.72 45.37 1gqp s GLY 242 CO 0.00 1.90 0.11 1.70 0.00 0.00 0.00 173.10 176.81 1gqp h LYS 243 N 6.83 0.00 -6.52 2.90 3.64 -1.92 -3.37 116.57 118.13 1gqp h LYS 243 Ca -0.41 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.51 1gqp h LYS 243 Cb 1.21 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1gqp h LYS 243 CO 0.79 0.18 -0.20 -0.51 -2.27 0.00 0.00 179.45 177.44 1gqp s ASP 244 N -5.69 6.08 0.13 4.20 1.01 -1.26 -4.80 116.67 116.34 1gqp s ASP 244 Ca -0.05 0.26 0.09 0.00 0.71 0.00 0.00 52.55 53.56 1gqp s ASP 244 Cb -0.00 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.18 1gqp s ASP 244 CO 0.14 -0.45 -0.15 -0.89 0.21 0.00 0.00 175.17 174.03 1gqp s THR 245 N -2.35 2.98 0.05 -1.27 2.01 -1.26 -4.23 115.64 111.56 1gqp s THR 245 Ca 0.43 -1.52 0.07 0.00 0.31 0.00 0.00 61.69 60.98 1gqp s THR 245 Cb -0.10 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1gqp s THR 245 CO 0.35 0.05 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.17 1gqp s HIS 246 N -1.29 2.60 -0.18 4.92 3.76 -0.05 -1.79 115.29 123.25 1gqp s HIS 246 Ca 0.20 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 54.83 1gqp s HIS 246 Cb -0.10 -1.46 0.07 0.00 1.11 0.00 0.00 32.58 32.20 1gqp s HIS 246 CO 0.12 0.29 0.13 -0.51 -0.85 0.00 0.00 174.74 173.92 1gqp s LEU 247 N -1.59 0.21 0.16 0.89 1.43 -0.87 -4.77 118.68 114.14 1gqp s LEU 247 Ca 0.16 -0.51 0.18 0.00 -1.03 0.00 0.00 54.13 52.93 1gqp s LEU 247 Cb -0.11 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.02 1gqp s LEU 247 CO 0.07 -0.34 1.06 0.03 0.23 0.00 0.00 176.35 177.40 1gqp h ARG 248 N 8.39 0.00 -1.75 1.70 3.08 -1.79 -0.88 114.38 123.13 1gqp h ARG 248 Ca -0.16 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1gqp h ARG 248 Cb 1.15 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.96 1gqp h ARG 248 CO 0.29 0.27 0.34 0.20 -1.07 0.00 0.00 179.97 180.00 1gqp s GLY 249 N -4.60 -0.31 -0.18 0.04 0.00 -1.25 -4.40 107.32 96.63 1gqp s GLY 249 Ca -0.00 2.38 -0.19 0.00 0.00 0.00 0.00 44.72 46.90 1gqp s GLY 249 CO 0.78 1.74 0.53 -1.50 0.00 0.00 0.00 173.10 174.66 1gqp s ILE 250 N 0.17 0.00 -0.03 0.90 2.07 -0.48 -1.00 121.20 122.84 1gqp s ILE 250 Ca 0.01 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.11 1gqp s ILE 250 Cb -0.05 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1gqp s ILE 250 CO -0.03 -0.02 0.24 0.00 -1.91 0.00 0.00 174.94 173.23 1gqp s ARG 251 N 0.05 0.53 0.01 3.50 1.70 0.07 -4.67 118.95 120.14 1gqp s ARG 251 Ca -0.02 -0.14 0.05 0.00 -0.47 0.00 0.00 55.73 55.16 1gqp s ARG 251 Cb -0.04 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1gqp s ARG 251 CO 0.02 -0.13 -0.14 -0.51 -1.08 0.00 0.00 175.30 173.46 1gqp s LEU 252 N -1.03 2.78 0.04 -1.89 1.43 -1.26 -0.57 118.68 118.17 1gqp s LEU 252 Ca -0.11 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1gqp s LEU 252 Cb -0.05 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 1gqp s LEU 252 CO 0.03 0.28 -0.08 -0.31 0.23 0.00 0.00 176.35 176.50 1gqp s TYR 253 N -0.90 0.69 0.20 0.29 1.51 -0.10 -1.74 117.35 117.29 1gqp s TYR 253 Ca 0.15 -0.42 0.11 0.00 -1.01 0.00 0.00 57.07 55.90 1gqp s TYR 253 Cb -0.11 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1gqp s TYR 253 CO 0.05 -0.06 -0.23 0.14 -1.11 0.00 0.00 175.55 174.34 1gqp s VAL 254 N -1.12 2.32 0.55 0.71 -7.23 -0.44 -0.07 120.40 115.12 1gqp s VAL 254 Ca -0.07 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 57.84 1gqp s VAL 254 Cb -0.08 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1gqp s VAL 254 CO 0.00 -0.15 1.19 -2.65 -0.31 0.00 0.00 175.10 173.18 1gqp n PRO 255 N 0.20 1.37 0.00 4.82 -0.02 -1.25 -0.68 135.00 139.45 1gqp n PRO 255 Ca -0.12 0.51 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1gqp n PRO 255 Cb 0.56 -2.37 0.53 0.00 -0.02 0.00 0.00 33.50 32.20 1gqp n PRO 255 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35