#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gq0 n SER 39 N 0.00 3.14 -4.89 3.54 3.41 -1.26 -4.99 113.62 112.57 3gq0 n SER 39 Ca 0.00 1.12 -0.29 0.00 -0.26 0.00 0.00 58.87 59.45 3gq0 n SER 39 Cb 0.00 -1.47 0.03 0.00 -0.26 0.00 0.00 64.21 62.51 3gq0 n SER 39 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gq0 s LEU 40 N 0.23 3.12 -0.04 1.04 1.43 -1.26 -4.40 118.68 118.80 3gq0 s LEU 40 Ca 0.70 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 3gq0 s LEU 40 Cb -0.61 -3.87 -0.00 0.00 0.03 0.00 0.00 46.19 41.73 3gq0 s LEU 40 CO 0.46 -1.12 -0.16 -0.31 0.23 0.00 0.00 176.35 175.45 3gq0 s TYR 41 N -3.16 1.61 0.03 0.29 1.51 0.19 -0.87 117.35 116.94 3gq0 s TYR 41 Ca 0.55 -0.47 -0.18 0.00 -1.01 0.00 0.00 57.07 55.97 3gq0 s TYR 41 Cb -0.11 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.59 3gq0 s TYR 41 CO 0.49 -0.17 0.52 -0.98 -1.11 0.00 0.00 175.55 174.31 3gq0 s ARG 42 N 0.10 4.15 -0.19 -0.62 1.70 0.63 -0.89 118.95 123.83 3gq0 s ARG 42 Ca -0.05 0.62 -0.13 0.00 -0.47 0.00 0.00 55.73 55.71 3gq0 s ARG 42 Cb -0.11 -3.26 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 3gq0 s ARG 42 CO 0.02 0.58 0.26 0.08 -1.08 0.00 0.00 175.30 175.16 3gq0 s VAL 43 N -0.83 5.31 0.04 4.99 1.01 0.40 -1.52 120.40 129.81 3gq0 s VAL 43 Ca 0.28 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.79 3gq0 s VAL 43 Cb -0.18 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3gq0 s VAL 43 CO 0.16 0.36 -0.21 -0.76 0.00 0.00 0.00 175.10 174.65 3gq0 s LEU 44 N 0.74 2.43 -0.04 3.92 1.43 0.16 0.12 118.68 127.43 3gq0 s LEU 44 Ca 0.14 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3gq0 s LEU 44 Cb -0.13 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3gq0 s LEU 44 CO 0.04 0.26 -0.17 0.27 0.23 0.00 0.00 176.35 176.98 3gq0 s ILE 45 N -0.88 2.85 0.09 -0.59 -4.36 -0.86 -0.69 121.20 116.76 3gq0 s ILE 45 Ca 0.13 -0.81 -0.03 0.00 -0.26 0.00 0.00 60.65 59.69 3gq0 s ILE 45 Cb -0.10 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.47 3gq0 s ILE 45 CO 0.04 0.59 0.29 -0.76 0.24 0.00 0.00 174.94 175.34 3gq0 s LEU 46 N -0.70 4.32 0.51 0.37 1.43 -0.11 -2.40 118.68 122.10 3gq0 s LEU 46 Ca 0.11 0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 53.47 3gq0 s LEU 46 Cb -0.10 -3.08 -0.08 0.00 0.03 0.00 0.00 46.19 42.96 3gq0 s LEU 46 CO 0.00 0.13 1.04 0.21 0.23 0.00 0.00 176.35 177.96 3gq0 s ASN 47 N -2.37 6.25 0.23 2.29 2.47 0.30 -4.34 114.94 119.77 3gq0 s ASN 47 Ca 0.37 1.89 -0.16 0.00 0.42 0.00 0.00 52.86 55.37 3gq0 s ASN 47 Cb -0.13 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.14 3gq0 s ASN 47 CO 0.25 -0.84 0.55 1.51 -3.72 0.00 0.00 177.10 174.84 3gq0 s ASP 48 N -2.18 -0.19 -0.24 -4.21 1.47 -1.26 -4.96 116.67 105.10 3gq0 s ASP 48 Ca 0.66 -0.67 0.14 0.00 1.18 0.00 0.00 52.55 53.86 3gq0 s ASP 48 Cb -0.16 0.61 0.82 0.00 -0.34 0.00 0.00 42.92 43.86 3gq0 s ASP 48 CO 0.24 -1.15 1.75 0.47 0.68 0.00 0.00 175.17 177.16 3gq0 n ASP 49 N -0.38 5.72 0.00 2.11 8.00 -1.26 -4.42 116.55 126.32 3gq0 n ASP 49 Ca -0.06 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.51 3gq0 n ASP 49 Cb 0.61 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3gq0 n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3gq0 n TYR 50 N 0.61 0.00 -1.91 1.24 4.01 -1.26 -5.04 117.16 114.81 3gq0 n TYR 50 Ca 0.28 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.60 3gq0 n TYR 50 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.20 3gq0 n TYR 50 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3gq0 s THR 51 N -1.41 3.19 0.54 -0.72 2.01 -1.26 -4.95 115.64 113.03 3gq0 s THR 51 Ca 0.00 0.47 -0.22 0.00 0.31 0.00 0.00 61.69 62.25 3gq0 s THR 51 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 3gq0 s THR 51 CO 0.00 -0.02 1.37 -2.84 -0.69 0.00 0.00 174.62 172.44 3gq0 s PRO 52 N 3.33 3.19 0.21 4.92 0.02 -1.26 -4.91 135.00 140.50 3gq0 s PRO 52 Ca 0.76 2.26 -0.11 0.00 0.02 0.00 0.00 61.00 63.94 3gq0 s PRO 52 Cb -0.38 -2.30 0.15 0.00 0.02 0.00 0.00 34.50 31.99 3gq0 s PRO 52 CO 0.33 -1.16 1.87 0.52 -0.33 0.00 0.00 177.00 178.24 3gq0 h MET 53 N 1.54 0.97 -0.80 5.54 2.86 -1.99 -2.48 114.93 120.58 3gq0 h MET 53 Ca -0.51 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.11 3gq0 h MET 53 Cb 1.30 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 3gq0 h MET 53 CO 0.58 0.65 0.52 0.93 1.06 0.00 0.00 176.91 180.65 3gq0 h GLU 54 N 1.00 0.93 -0.53 1.72 4.39 -1.99 0.18 114.58 120.27 3gq0 h GLU 54 Ca 0.27 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 3gq0 h GLU 54 Cb -0.11 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.31 3gq0 h GLU 54 CO -0.06 0.61 -0.12 0.35 -1.16 0.00 0.00 179.01 178.63 3gq0 h PHE 55 N 0.96 1.14 -0.45 4.33 3.57 -1.83 0.78 116.94 125.44 3gq0 h PHE 55 Ca 0.32 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3gq0 h PHE 55 Cb 0.08 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3gq0 h PHE 55 CO -0.00 1.06 0.16 0.28 -2.23 0.00 0.00 178.31 177.59 3gq0 h VAL 56 N 0.90 1.21 -0.22 1.41 2.07 -0.94 0.20 116.25 120.89 3gq0 h VAL 56 Ca 0.14 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3gq0 h VAL 56 Cb 0.69 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3gq0 h VAL 56 CO 0.05 0.25 0.14 0.58 0.02 0.00 0.00 177.57 178.61 3gq0 h VAL 57 N 0.58 1.07 -0.65 2.57 2.07 -0.86 -1.44 116.25 119.59 3gq0 h VAL 57 Ca 0.15 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3gq0 h VAL 57 Cb 0.23 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 3gq0 h VAL 57 CO -0.01 0.07 0.31 0.22 0.02 0.00 0.00 177.57 178.18 3gq0 h TYR 58 N 0.28 0.55 -0.50 1.57 3.20 -0.52 -0.66 116.97 120.89 3gq0 h TYR 58 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3gq0 h TYR 58 Cb -0.01 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3gq0 h TYR 58 CO -0.06 0.20 0.33 0.28 -1.64 0.00 0.00 178.16 177.27 3gq0 h VAL 59 N 0.55 1.14 -0.50 1.81 2.07 -0.18 0.25 116.25 121.39 3gq0 h VAL 59 Ca 0.32 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 3gq0 h VAL 59 Cb 0.32 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3gq0 h VAL 59 CO -0.25 0.13 -0.12 -0.07 0.02 0.00 0.00 177.57 177.28 3gq0 h LEU 60 N 0.68 0.96 -0.58 2.57 3.38 -0.75 0.20 115.31 121.77 3gq0 h LEU 60 Ca 0.18 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3gq0 h LEU 60 Cb -0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3gq0 h LEU 60 CO -0.04 1.10 0.20 -0.33 0.09 0.00 0.00 178.44 179.46 3gq0 h GLU 61 N 0.81 0.89 0.41 1.13 5.08 -0.96 -1.94 114.58 119.99 3gq0 h GLU 61 Ca 0.13 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3gq0 h GLU 61 Cb 0.68 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3gq0 h GLU 61 CO 0.05 0.78 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.56 3gq0 h ARG 62 N 0.81 -0.53 0.00 2.33 9.65 -0.10 -3.07 114.38 123.47 3gq0 h ARG 62 Ca 0.19 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 3gq0 h ARG 62 Cb 0.26 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3gq0 h ARG 62 CO -0.01 -0.27 -1.04 1.19 2.80 0.00 0.00 179.97 182.64 3gq0 n PHE 63 N -5.15 0.00 -0.23 2.20 3.72 0.66 -4.40 117.46 114.26 3gq0 n PHE 63 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3gq0 n PHE 63 Cb 0.26 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3gq0 n PHE 63 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3gq0 n PHE 64 N -1.56 0.00 -2.20 1.38 3.72 -0.91 -5.00 117.46 112.90 3gq0 n PHE 64 Ca 0.02 -0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 57.04 3gq0 n PHE 64 Cb 0.33 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.83 3gq0 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3gq0 n ASN 65 N -0.28 -3.49 -4.82 4.37 5.15 -0.79 -4.91 115.26 110.49 3gq0 n ASN 65 Ca 0.00 -0.01 -0.38 0.00 -0.60 0.00 0.00 54.58 53.59 3gq0 n ASN 65 Cb 0.24 -2.73 -0.06 0.00 -0.53 0.00 0.00 39.78 36.70 3gq0 n ASN 65 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3gq0 s LYS 66 N -4.52 4.03 0.85 1.20 -0.14 -0.87 -4.98 119.74 115.31 3gq0 s LYS 66 Ca 0.00 0.53 -0.11 0.00 -1.36 0.00 0.00 55.97 55.03 3gq0 s LYS 66 Cb 0.00 -3.23 0.11 0.00 -1.68 0.00 0.00 37.83 33.03 3gq0 s LYS 66 CO 0.00 0.66 1.14 -1.54 -0.76 0.00 0.00 175.35 174.85 3gq0 s SER 67 N -1.04 3.50 0.36 2.83 1.04 -1.26 -4.11 113.70 115.02 3gq0 s SER 67 Ca 0.26 2.10 0.07 0.00 0.48 0.00 0.00 55.95 58.86 3gq0 s SER 67 Cb -0.18 -2.56 0.78 0.00 0.10 0.00 0.00 66.02 64.16 3gq0 s SER 67 CO 0.15 -2.72 1.93 -0.09 0.98 0.00 0.00 173.24 173.50 3gq0 h ARG 68 N -1.50 0.70 -0.49 4.02 2.43 -1.97 0.42 114.38 117.99 3gq0 h ARG 68 Ca -0.44 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.58 3gq0 h ARG 68 Cb 1.26 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3gq0 h ARG 68 CO 0.45 0.47 -0.11 1.49 -1.51 0.00 0.00 179.97 180.76 3gq0 h GLU 69 N 0.72 0.94 -0.08 0.20 4.22 -1.99 0.32 114.58 118.92 3gq0 h GLU 69 Ca 0.35 -0.36 -0.16 0.00 0.08 0.00 0.00 59.36 59.28 3gq0 h GLU 69 Cb 0.41 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3gq0 h GLU 69 CO -0.13 1.02 -0.64 -0.44 -2.18 0.00 0.00 179.01 176.64 3gq0 h ASP 70 N 0.80 0.34 -0.25 1.04 3.32 -1.73 -2.55 116.42 117.38 3gq0 h ASP 70 Ca 0.13 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3gq0 h ASP 70 Cb 0.66 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3gq0 h ASP 70 CO 0.05 0.89 0.03 0.00 -1.72 0.00 0.00 179.24 178.48 3gq0 h ALA 71 N 1.11 0.34 -0.68 3.45 0.00 -0.71 -2.18 119.26 120.59 3gq0 h ALA 71 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3gq0 h ALA 71 Cb 1.17 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 3gq0 h ALA 71 CO 0.10 0.04 0.38 1.15 0.00 0.00 0.00 179.25 180.93 3gq0 h THR 72 N 0.23 0.97 -0.17 0.00 2.02 -0.89 0.13 112.91 115.21 3gq0 h THR 72 Ca 0.08 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3gq0 h THR 72 Cb 0.36 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3gq0 h THR 72 CO 0.01 0.13 0.10 -0.09 0.37 0.00 0.00 175.52 176.04 3gq0 h ARG 73 N 0.70 0.22 -0.45 6.66 2.43 -1.32 -0.79 114.38 121.83 3gq0 h ARG 73 Ca 0.30 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 3gq0 h ARG 73 Cb 0.18 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3gq0 h ARG 73 CO -0.18 0.19 0.07 0.82 -1.51 0.00 0.00 179.97 179.36 3gq0 h ILE 74 N 0.20 1.25 -0.42 1.20 2.04 -0.99 -0.27 117.51 120.51 3gq0 h ILE 74 Ca 0.06 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.05 3gq0 h ILE 74 Cb 0.02 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3gq0 h ILE 74 CO -0.01 0.32 0.19 -0.03 0.00 0.00 0.00 178.15 178.62 3gq0 h MET 75 N 0.62 0.38 -0.30 2.37 4.05 -0.60 0.77 114.93 122.22 3gq0 h MET 75 Ca 0.14 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.41 3gq0 h MET 75 Cb 0.39 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3gq0 h MET 75 CO 0.01 0.25 -0.31 -0.07 0.23 0.00 0.00 176.91 177.02 3gq0 h LEU 76 N 0.40 0.66 -0.78 3.39 3.38 -0.99 -1.61 115.31 119.75 3gq0 h LEU 76 Ca 0.18 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3gq0 h LEU 76 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3gq0 h LEU 76 CO -0.14 0.93 0.26 -0.74 0.09 0.00 0.00 178.44 178.84 3gq0 h HIS 77 N 0.54 1.21 -0.68 1.13 2.76 -0.53 -1.72 115.15 117.86 3gq0 h HIS 77 Ca 0.06 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 3gq0 h HIS 77 Cb 0.80 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 3gq0 h HIS 77 CO 0.04 0.94 0.14 0.28 -1.30 0.00 0.00 177.93 178.03 3gq0 h VAL 78 N 1.13 1.26 -0.54 5.26 2.07 -0.62 0.26 116.25 125.07 3gq0 h VAL 78 Ca 0.25 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3gq0 h VAL 78 Cb 0.28 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3gq0 h VAL 78 CO -0.01 0.38 0.28 -0.74 0.02 0.00 0.00 177.57 177.49 3gq0 h HIS 79 N 1.03 0.73 0.07 1.57 6.17 -0.95 0.32 115.15 124.10 3gq0 h HIS 79 Ca 0.21 -0.01 -0.33 0.00 0.71 0.00 0.00 60.37 60.95 3gq0 h HIS 79 Cb 0.40 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 30.06 3gq0 h HIS 79 CO 0.03 0.53 -1.85 0.94 0.71 0.00 0.00 177.93 178.28 3gq0 n GLN 80 N -4.39 0.70 0.00 5.26 7.27 -0.68 -4.34 117.38 121.21 3gq0 n GLN 80 Ca 0.05 0.28 0.11 0.00 0.07 0.00 0.00 57.00 57.51 3gq0 n GLN 80 Cb 0.11 -1.75 -0.12 0.00 2.41 0.00 0.00 30.24 30.89 3gq0 n GLN 80 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3gq0 n ASN 81 N -3.28 0.46 0.00 1.69 4.05 0.88 -4.97 115.26 114.09 3gq0 n ASN 81 Ca -0.25 -0.37 0.00 0.00 0.45 0.00 0.00 54.58 54.42 3gq0 n ASN 81 Cb 1.05 1.43 0.00 0.00 1.23 0.00 0.00 39.78 43.49 3gq0 n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3gq0 n GLY 82 N 1.36 3.03 3.37 8.20 0.00 0.11 -4.96 105.19 116.31 3gq0 n GLY 82 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3gq0 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gq0 s VAL 83 N -1.93 0.03 -0.01 1.61 0.11 -1.23 -0.54 120.40 118.44 3gq0 s VAL 83 Ca 0.00 -0.26 -0.21 0.00 -2.93 0.00 0.00 61.98 58.58 3gq0 s VAL 83 Cb 0.00 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3gq0 s VAL 83 CO 0.00 -0.14 0.46 -0.83 -3.33 0.00 0.00 175.10 171.25 3gq0 s GLY 84 N -1.39 -0.32 -0.16 6.54 0.00 -1.01 -4.44 107.32 106.54 3gq0 s GLY 84 Ca -0.11 0.64 -0.24 0.00 0.00 0.00 0.00 44.72 45.01 3gq0 s GLY 84 CO 0.05 0.37 0.77 0.14 0.00 0.00 0.00 173.10 174.43 3gq0 s VAL 85 N -1.59 4.94 0.00 1.40 1.01 -1.26 -2.03 120.40 122.86 3gq0 s VAL 85 Ca -0.11 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.43 3gq0 s VAL 85 Cb -0.02 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 3gq0 s VAL 85 CO 0.04 0.08 0.84 0.00 0.00 0.00 0.00 175.10 176.06 3gq0 n GLY 87 N 1.59 -0.09 3.03 0.00 0.00 -1.23 -4.94 105.19 103.54 3gq0 n GLY 87 Ca -0.14 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 3gq0 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gq0 s VAL 88 N -2.00 1.26 0.30 1.61 1.01 -1.26 -0.45 120.40 120.86 3gq0 s VAL 88 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3gq0 s VAL 88 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3gq0 s VAL 88 CO 0.00 0.39 0.29 -0.31 0.00 0.00 0.00 175.10 175.47 3gq0 s TYR 89 N 0.87 1.40 0.89 5.22 2.02 -0.07 -4.93 117.35 122.75 3gq0 s TYR 89 Ca -0.10 -1.47 -0.11 0.00 -0.37 0.00 0.00 57.07 55.02 3gq0 s TYR 89 Cb -0.15 -0.50 0.13 0.00 -0.40 0.00 0.00 41.96 41.04 3gq0 s TYR 89 CO 0.01 -0.88 1.11 0.95 -1.57 0.00 0.00 175.55 175.17 3gq0 s THR 90 N -3.56 2.55 0.15 -0.71 -4.23 -1.26 0.53 115.64 109.10 3gq0 s THR 90 Ca 0.37 0.18 -0.18 0.00 -1.18 0.00 0.00 61.69 60.88 3gq0 s THR 90 Cb 0.03 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.47 3gq0 s THR 90 CO 0.21 -0.23 1.71 0.22 -0.54 0.00 0.00 174.62 176.00 3gq0 h TYR 91 N -1.67 0.00 -0.75 3.99 3.20 -1.91 0.11 116.97 119.95 3gq0 h TYR 91 Ca -0.46 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 3gq0 h TYR 91 Cb 1.26 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 3gq0 h TYR 91 CO 0.49 -0.04 0.40 0.93 -1.64 0.00 0.00 178.16 178.31 3gq0 h GLU 92 N 0.10 1.05 -0.31 1.82 3.07 -1.97 0.60 114.58 118.95 3gq0 h GLU 92 Ca 0.14 -0.13 -0.17 0.00 -0.50 0.00 0.00 59.36 58.71 3gq0 h GLU 92 Cb 0.19 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3gq0 h GLU 92 CO -0.23 0.78 -0.47 0.28 -1.40 0.00 0.00 179.01 177.97 3gq0 h VAL 93 N 1.03 1.28 -0.87 3.13 2.07 -1.85 -2.41 116.25 118.64 3gq0 h VAL 93 Ca 0.26 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3gq0 h VAL 93 Cb 0.05 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3gq0 h VAL 93 CO -0.04 0.54 0.51 0.00 0.02 0.00 0.00 177.57 178.60 3gq0 h ALA 94 N 0.82 1.11 -0.48 1.67 0.00 -0.44 -1.83 119.26 120.11 3gq0 h ALA 94 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gq0 h ALA 94 Cb 1.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3gq0 h ALA 94 CO 0.10 0.59 0.18 1.49 0.00 0.00 0.00 179.25 181.61 3gq0 h GLU 95 N 1.20 0.72 -0.31 0.00 4.81 -0.66 -1.47 114.58 118.88 3gq0 h GLU 95 Ca 0.31 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3gq0 h GLU 95 Cb -0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3gq0 h GLU 95 CO -0.06 0.66 -0.32 1.79 -0.73 0.00 0.00 179.01 180.36 3gq0 h THR 96 N 0.63 1.28 -0.39 0.32 1.35 -1.26 -2.35 112.91 112.51 3gq0 h THR 96 Ca 0.16 -1.45 -0.10 0.00 -0.55 0.00 0.00 66.41 64.47 3gq0 h THR 96 Cb 0.21 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 3gq0 h THR 96 CO -0.01 0.47 -0.16 0.11 -0.25 0.00 0.00 175.52 175.68 3gq0 h LYS 97 N 0.57 0.71 0.30 4.72 1.57 -1.07 0.43 116.57 123.81 3gq0 h LYS 97 Ca 0.07 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3gq0 h LYS 97 Cb 0.82 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3gq0 h LYS 97 CO 0.07 0.83 -0.14 0.28 -0.57 0.00 0.00 179.45 179.92 3gq0 h VAL 98 N 0.64 0.71 -0.95 0.50 2.07 -1.14 -1.46 116.25 116.62 3gq0 h VAL 98 Ca 0.10 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.65 3gq0 h VAL 98 Cb 0.62 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3gq0 h VAL 98 CO 0.04 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.25 3gq0 h ALA 99 N 0.29 1.27 -0.55 1.67 0.00 -1.20 -1.38 119.26 119.38 3gq0 h ALA 99 Ca -0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3gq0 h ALA 99 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3gq0 h ALA 99 CO 0.07 0.45 -0.06 1.96 0.00 0.00 0.00 179.25 181.67 3gq0 h GLN 100 N 1.16 0.98 -0.26 0.00 4.20 -0.77 0.64 115.11 121.06 3gq0 h GLN 100 Ca 0.39 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3gq0 h GLN 100 Cb 0.07 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3gq0 h GLN 100 CO -0.14 1.00 -0.06 0.28 -0.67 0.00 0.00 178.83 179.24 3gq0 h VAL 101 N 0.89 1.28 0.02 -0.54 2.07 -0.81 -0.61 116.25 118.56 3gq0 h VAL 101 Ca 0.15 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3gq0 h VAL 101 Cb 0.59 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3gq0 h VAL 101 CO 0.04 0.34 -0.03 0.40 0.02 0.00 0.00 177.57 178.33 3gq0 h ILE 102 N 0.24 0.92 -0.45 4.57 1.08 -1.14 0.75 117.51 123.48 3gq0 h ILE 102 Ca 0.07 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.58 3gq0 h ILE 102 Cb 0.53 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 3gq0 h ILE 102 CO 0.03 0.00 0.22 -0.78 -0.69 0.00 0.00 178.15 176.92 3gq0 h ASP 103 N -0.07 0.31 -0.23 1.72 3.58 -0.83 0.75 116.42 121.66 3gq0 h ASP 103 Ca 0.01 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3gq0 h ASP 103 Cb 0.07 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3gq0 h ASP 103 CO -0.02 0.22 0.11 -1.28 -2.88 0.00 0.00 179.24 175.39 3gq0 h SER 104 N 0.44 0.30 -0.03 2.28 0.87 -0.92 -1.94 113.55 114.54 3gq0 h SER 104 Ca 0.20 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3gq0 h SER 104 Cb 0.12 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3gq0 h SER 104 CO -0.15 0.34 0.02 0.00 -0.53 0.00 0.00 176.83 176.50 3gq0 h ALA 105 N 0.97 0.03 -0.85 6.23 0.00 -0.42 -1.14 119.26 124.09 3gq0 h ALA 105 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gq0 h ALA 105 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3gq0 h ALA 105 CO -0.01 -0.45 0.45 0.00 0.00 0.00 0.00 179.25 179.24 3gq0 h ARG 106 N 0.00 1.20 0.00 0.00 2.47 -0.83 0.53 114.38 117.75 3gq0 h ARG 106 Ca 0.01 -0.15 -0.06 0.00 -1.26 0.00 0.00 59.98 58.52 3gq0 h ARG 106 Cb 0.03 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 3gq0 h ARG 106 CO -0.00 0.89 -0.29 0.00 0.56 0.00 0.00 179.97 181.13 3gq0 h ARG 107 N 1.20 0.00 -0.00 0.04 3.08 -1.20 0.14 114.38 117.64 3gq0 h ARG 107 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3gq0 h ARG 107 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3gq0 h ARG 107 CO -0.04 0.29 -0.03 0.72 -1.07 0.00 0.00 179.97 179.83 3gq0 n HIS 108 N -3.40 0.00 -3.61 3.04 8.25 -0.44 -4.93 115.22 114.13 3gq0 n HIS 108 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 3gq0 n HIS 108 Cb 0.49 -0.07 0.08 0.00 1.12 0.00 0.00 29.99 31.60 3gq0 n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3gq0 n GLN 109 N -0.73 -7.78 -4.18 -0.41 6.02 0.48 -5.02 117.38 105.76 3gq0 n GLN 109 Ca 0.20 0.82 -0.29 0.00 -0.01 0.00 0.00 57.00 57.71 3gq0 n GLN 109 Cb 0.22 -5.86 -0.09 0.00 1.02 0.00 0.00 30.24 25.53 3gq0 n GLN 109 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3gq0 s HIS 110 N -3.32 2.87 -1.22 1.08 3.76 0.17 -4.98 115.29 113.65 3gq0 s HIS 110 Ca 0.57 -0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.45 3gq0 s HIS 110 Cb -0.25 -1.47 0.32 0.00 1.11 0.00 0.00 32.58 32.29 3gq0 s HIS 110 CO 0.74 0.47 1.11 -2.30 -0.85 0.00 0.00 174.74 173.90 3gq0 n PRO 111 N 0.49 2.27 -1.69 8.40 -0.02 -1.26 -3.69 135.00 139.50 3gq0 n PRO 111 Ca -0.12 -1.25 -0.54 0.00 -2.02 0.00 0.00 63.50 59.58 3gq0 n PRO 111 Cb 0.53 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.36 3gq0 n PRO 111 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gq0 n LEU 112 N 0.33 2.61 -4.77 2.45 7.94 -1.26 -4.93 117.00 119.36 3gq0 n LEU 112 Ca 0.11 1.05 -0.37 0.00 -1.11 0.00 0.00 56.01 55.70 3gq0 n LEU 112 Cb 0.49 -1.22 -0.07 0.00 0.53 0.00 0.00 43.42 43.16 3gq0 n LEU 112 CO 0.11 -0.40 0.02 -1.10 -1.11 0.00 0.00 177.39 174.91 3gq0 s GLN 113 N 3.17 4.10 -0.02 1.96 -1.52 -1.26 -4.80 119.66 121.29 3gq0 s GLN 113 Ca 0.94 0.20 0.00 0.00 -1.95 0.00 0.00 55.36 54.56 3gq0 s GLN 113 Cb -0.94 -3.35 0.02 0.00 -0.22 0.00 0.00 33.01 28.52 3gq0 s GLN 113 CO 0.58 0.40 0.00 0.00 -0.25 0.00 0.00 175.29 176.02 3gq0 n THR 115 N 3.74 0.00 -3.92 0.00 5.66 0.14 -4.97 114.28 114.92 3gq0 n THR 115 Ca -0.22 -0.81 -0.09 0.00 -3.05 0.00 0.00 64.05 59.88 3gq0 n THR 115 Cb 0.54 0.48 -0.09 0.00 -1.55 0.00 0.00 70.33 69.71 3gq0 n THR 115 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gq0 s MET 116 N -2.37 0.65 0.08 1.09 0.23 -1.26 0.36 119.30 118.08 3gq0 s MET 116 Ca 0.13 -0.82 -0.11 0.00 -1.03 0.00 0.00 55.69 53.86 3gq0 s MET 116 Cb -0.00 0.26 0.01 0.00 -1.53 0.00 0.00 34.83 33.56 3gq0 s MET 116 CO 0.09 -0.17 0.25 -1.83 -2.03 0.00 0.00 175.02 171.33 3gq0 s GLU 117 N -2.96 0.86 0.24 3.16 -1.05 -0.57 -4.97 118.70 113.41 3gq0 s GLU 117 Ca -0.02 -0.80 -0.31 0.00 -0.15 0.00 0.00 54.97 53.70 3gq0 s GLU 117 Cb 0.01 0.36 -0.14 0.00 -0.44 0.00 0.00 34.13 33.92 3gq0 s GLU 117 CO -0.06 -0.29 1.24 1.63 0.95 0.00 0.00 175.26 178.73 3gq0 n LYS 118 N 0.10 1.64 0.00 -4.83 5.02 -1.26 -0.27 118.16 118.56 3gq0 n LYS 118 Ca -0.16 0.58 0.15 0.00 -2.02 0.00 0.00 58.31 56.86 3gq0 n LYS 118 Cb 0.62 -2.12 0.87 0.00 -0.02 0.00 0.00 35.03 34.37 3gq0 n LYS 118 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41