#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqx s SER 2 N 0.00 -0.36 0.11 1.61 0.15 -1.26 -5.18 113.70 108.77 2cqx s SER 2 Ca 0.00 -0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.65 2cqx s SER 2 Cb 0.00 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 2cqx s SER 2 CO 0.00 -0.66 -0.10 -0.94 1.20 0.00 0.00 173.24 172.73 2cqx s SER 3 N -2.54 1.57 -0.51 5.45 1.04 -1.26 -5.09 113.70 112.36 2cqx s SER 3 Ca 0.05 -0.86 0.08 0.00 0.48 0.00 0.00 55.95 55.70 2cqx s SER 3 Cb -0.01 -0.00 0.30 0.00 0.10 0.00 0.00 66.02 66.41 2cqx s SER 3 CO -0.08 -0.27 0.75 0.61 0.98 0.00 0.00 173.24 175.23 2cqx n GLY 4 N 0.37 4.33 3.31 7.32 0.00 -1.26 -5.06 105.19 114.20 2cqx n GLY 4 Ca -0.15 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 2cqx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqx s SER 5 N -2.46 -0.40 -0.13 1.61 0.01 -1.26 -5.07 113.70 106.01 2cqx s SER 5 Ca 0.41 0.67 -0.26 0.00 1.31 0.00 0.00 55.95 58.08 2cqx s SER 5 Cb 0.24 0.72 -0.26 0.00 0.21 0.00 0.00 66.02 66.92 2cqx s SER 5 CO -0.08 -0.24 0.73 -1.28 0.41 0.00 0.00 173.24 172.77 2cqx h SER 6 N 4.97 0.10 0.00 2.44 0.87 -2.09 -3.50 113.55 116.34 2cqx h SER 6 Ca -0.28 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.35 2cqx h SER 6 Cb 1.18 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2cqx h SER 6 CO 0.29 1.14 0.00 0.61 -0.53 0.00 0.00 176.83 178.34 2cqx n GLY 7 N 1.61 0.71 1.76 5.77 0.00 -1.26 -5.02 105.19 108.76 2cqx n GLY 7 Ca -0.13 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 2cqx n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqx n GLY 8 N 0.00 -0.52 3.77 -0.02 0.00 -1.26 -5.08 105.19 102.08 2cqx n GLY 8 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2cqx n GLY 8 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2cqx s ILE 9 N -2.70 3.77 -0.11 -0.61 2.07 -1.26 -5.08 121.20 117.28 2cqx s ILE 9 Ca 0.01 -1.57 -0.11 0.00 -1.41 0.00 0.00 60.65 57.56 2cqx s ILE 9 Cb -0.00 -3.15 -0.04 0.00 0.13 0.00 0.00 42.46 39.40 2cqx s ILE 9 CO 0.13 -0.29 -0.21 1.17 -1.91 0.00 0.00 174.94 173.82 2cqx n LYS 10 N -1.14 0.33 -3.25 3.50 4.81 -1.26 -4.79 118.16 116.35 2cqx n LYS 10 Ca -0.05 0.13 -0.45 0.00 -0.87 0.00 0.00 58.31 57.06 2cqx n LYS 10 Cb 0.59 -1.06 -0.00 0.00 0.02 0.00 0.00 35.03 34.57 2cqx n LYS 10 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2cqx s ASP 11 N -5.22 7.19 0.36 3.14 1.01 -1.26 -5.03 116.67 116.85 2cqx s ASP 11 Ca -0.18 -3.33 -0.28 0.00 0.71 0.00 0.00 52.55 49.47 2cqx s ASP 11 Cb 0.02 -2.25 -0.10 0.00 1.01 0.00 0.00 42.92 41.60 2cqx s ASP 11 CO 0.26 -0.43 1.34 -0.94 0.21 0.00 0.00 175.17 175.61 2cqx s SER 12 N 1.78 6.59 -0.68 0.27 1.04 -1.26 -4.90 113.70 116.52 2cqx s SER 12 Ca 0.32 2.75 -0.26 0.00 0.48 0.00 0.00 55.95 59.23 2cqx s SER 12 Cb -0.08 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 2cqx s SER 12 CO -0.07 -0.67 1.89 -2.16 0.98 0.00 0.00 173.24 173.21 2cqx s PRO 13 N -1.95 2.60 -0.44 4.02 0.04 -1.26 -4.90 135.00 133.11 2cqx s PRO 13 Ca 0.51 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.96 2cqx s PRO 13 Cb -0.41 -4.56 0.15 0.00 0.04 0.00 0.00 34.50 29.72 2cqx s PRO 13 CO 0.54 -2.90 0.28 0.08 0.04 0.00 0.00 177.00 175.04 2cqx s VAL 14 N 9.36 1.05 0.05 -0.36 1.01 -1.26 -5.11 120.40 125.14 2cqx s VAL 14 Ca 0.68 -2.58 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 2cqx s VAL 14 Cb -0.11 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2cqx s VAL 14 CO 0.15 -1.00 0.82 0.20 0.00 0.00 0.00 175.10 175.27 2cqx s ASN 15 N 0.25 7.27 -1.07 3.32 -0.87 -1.26 -4.93 114.94 117.65 2cqx s ASN 15 Ca 0.22 1.52 -0.27 0.00 -1.57 0.00 0.00 52.86 52.76 2cqx s ASN 15 Cb -0.16 -2.50 -0.24 0.00 -0.02 0.00 0.00 41.25 38.34 2cqx s ASN 15 CO -0.06 -0.03 2.11 0.29 -2.57 0.00 0.00 177.10 176.84 2cqx n LYS 16 N 2.94 0.09 -0.27 -0.60 4.76 -1.26 -4.75 118.16 119.06 2cqx n LYS 16 Ca -0.01 -1.69 0.00 0.00 -2.87 0.00 0.00 58.31 53.74 2cqx n LYS 16 Cb 0.50 -3.93 0.04 0.00 -1.84 0.00 0.00 35.03 29.80 2cqx n LYS 16 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2cqx n VAL 17 N 9.09 -0.37 -3.64 -0.18 0.24 -1.26 -4.64 118.33 117.57 2cqx n VAL 17 Ca 0.41 1.68 -0.10 0.00 -2.04 0.00 0.00 64.34 64.29 2cqx n VAL 17 Cb 0.47 -2.24 -0.04 0.00 -1.47 0.00 0.00 33.84 30.56 2cqx n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2cqx s GLU 18 N -5.72 1.18 0.00 7.34 2.02 -1.26 -5.02 118.70 117.24 2cqx s GLU 18 Ca -0.10 -0.73 0.10 0.00 0.02 0.00 0.00 54.97 54.26 2cqx s GLU 18 Cb 0.15 0.50 0.59 0.00 0.10 0.00 0.00 34.13 35.47 2cqx s GLU 18 CO 0.52 -0.48 1.03 -0.35 0.02 0.00 0.00 175.26 176.00 2cqx n PRO 19 N -0.28 0.49 -0.24 0.39 -0.04 -1.26 -3.36 135.00 130.70 2cqx n PRO 19 Ca -0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.29 2cqx n PRO 19 Cb 0.64 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.83 2cqx n PRO 19 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cqx n ASN 20 N -0.82 2.79 -0.33 3.54 5.03 -1.26 -4.43 115.26 119.78 2cqx n ASN 20 Ca 0.07 -2.29 0.22 0.00 0.87 0.00 0.00 54.58 53.45 2cqx n ASN 20 Cb 0.03 -0.56 0.45 0.00 -1.02 0.00 0.00 39.78 38.68 2cqx n ASN 20 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 2cqx h ASP 21 N 0.41 0.51 -0.76 6.41 2.03 -2.00 -0.22 116.42 122.80 2cqx h ASP 21 Ca 0.09 0.18 0.30 0.00 -0.73 0.00 0.00 57.03 56.88 2cqx h ASP 21 Cb 1.21 0.13 -0.12 0.00 -0.83 0.00 0.00 39.33 39.72 2cqx h ASP 21 CO 0.19 -0.09 0.43 0.41 -1.03 0.00 0.00 179.24 179.15 2cqx n THR 22 N -5.03 -0.27 -0.01 1.15 -1.04 -1.26 0.22 114.28 108.03 2cqx n THR 22 Ca 0.30 1.40 -0.11 0.00 -2.04 0.00 0.00 64.05 63.59 2cqx n THR 22 Cb 0.92 -2.27 -0.06 0.00 -1.82 0.00 0.00 70.33 67.10 2cqx n THR 22 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2cqx h LEU 23 N 0.00 0.13 -0.72 -4.42 4.07 -1.41 -2.91 115.31 110.05 2cqx h LEU 23 Ca 0.60 -0.12 0.25 0.00 0.08 0.00 0.00 57.88 58.69 2cqx h LEU 23 Cb 1.68 -0.03 -0.13 0.00 1.08 0.00 0.00 40.66 43.25 2cqx h LEU 23 CO -0.50 0.21 0.18 1.21 -1.08 0.00 0.00 178.44 178.47 2cqx n GLU 24 N -4.95 -0.05 0.09 1.13 2.13 0.59 -0.57 120.64 119.01 2cqx n GLU 24 Ca -0.06 1.04 -0.04 0.00 0.66 0.00 0.00 57.16 58.77 2cqx n GLU 24 Cb 0.09 -1.75 -0.02 0.00 0.27 0.00 0.00 31.44 30.04 2cqx n GLU 24 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2cqx h LYS 25 N 0.00 -0.23 -1.00 5.31 3.64 -1.56 -3.13 116.57 119.59 2cqx h LYS 25 Ca 0.52 0.02 0.38 0.00 -1.27 0.00 0.00 60.65 60.29 2cqx h LYS 25 Cb 1.22 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 32.93 2cqx h LYS 25 CO -0.62 -0.15 0.54 -0.24 -2.27 0.00 0.00 179.45 176.71 2cqx h VAL 26 N -0.33 0.11 -0.66 2.00 3.04 -0.92 1.69 116.25 121.18 2cqx h VAL 26 Ca -0.02 -0.04 0.10 0.00 -1.01 0.00 0.00 66.70 65.72 2cqx h VAL 26 Cb 0.18 -0.02 -0.07 0.00 -2.01 0.00 0.00 31.29 29.37 2cqx h VAL 26 CO 0.04 0.02 0.28 0.15 -1.01 0.00 0.00 177.57 177.05 2cqx h PHE 27 N 0.12 0.49 -0.35 3.17 3.04 -0.84 0.46 116.94 123.03 2cqx h PHE 27 Ca 0.80 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.78 2cqx h PHE 27 Cb 2.01 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.41 2cqx h PHE 27 CO -0.02 0.14 0.00 1.55 -2.02 0.00 0.00 178.31 177.96 2cqx n VAL 28 N -4.95 0.70 -0.10 1.41 3.14 0.24 -0.10 118.33 118.66 2cqx n VAL 28 Ca 0.10 -0.85 -0.21 0.00 -2.96 0.00 0.00 64.34 60.42 2cqx n VAL 28 Cb 0.29 0.75 -0.08 0.00 -1.06 0.00 0.00 33.84 33.74 2cqx n VAL 28 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2cqx n SER 29 N 0.91 1.57 -0.08 6.55 7.64 0.51 -4.86 113.62 125.85 2cqx n SER 29 Ca 0.14 0.21 -0.16 0.00 1.01 0.00 0.00 58.87 60.07 2cqx n SER 29 Cb 0.46 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.03 2cqx n SER 29 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2cqx n VAL 30 N -3.82 0.94 -3.64 0.44 0.24 0.14 -4.99 118.33 107.64 2cqx n VAL 30 Ca -0.40 -0.27 -0.04 0.00 -2.04 0.00 0.00 64.34 61.59 2cqx n VAL 30 Cb 0.80 -1.55 -0.07 0.00 -1.47 0.00 0.00 33.84 31.55 2cqx n VAL 30 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2cqx s THR 31 N -2.32 0.00 0.17 3.34 -1.32 -0.11 -5.04 115.64 110.37 2cqx s THR 31 Ca -0.23 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.18 2cqx s THR 31 Cb 0.08 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2cqx s THR 31 CO 0.32 0.00 1.49 0.11 -2.21 0.00 0.00 174.62 174.34 2cqx h LYS 32 N 3.30 0.76 -3.32 7.08 1.57 -0.73 -3.30 116.57 121.93 2cqx h LYS 32 Ca -0.26 -0.43 -0.70 0.00 -1.87 0.00 0.00 60.65 57.39 2cqx h LYS 32 Cb 1.19 0.03 -0.36 0.00 0.08 0.00 0.00 32.23 33.17 2cqx h LYS 32 CO 0.17 1.05 -0.13 0.71 -0.57 0.00 0.00 179.45 180.69 2cqx s TYR 33 N -4.21 3.86 1.02 -1.35 1.51 -1.26 -4.87 117.35 112.05 2cqx s TYR 33 Ca -0.09 -3.03 -0.13 0.00 -1.01 0.00 0.00 57.07 52.81 2cqx s TYR 33 Cb 0.11 -3.22 0.20 0.00 -0.11 0.00 0.00 41.96 38.94 2cqx s TYR 33 CO 0.86 -0.74 1.09 -1.25 -1.11 0.00 0.00 175.55 174.41 2cqx s PRO 34 N -1.29 0.26 0.30 -1.71 0.04 -1.26 -5.08 135.00 126.26 2cqx s PRO 34 Ca 0.27 0.47 0.08 0.00 0.04 0.00 0.00 61.00 61.85 2cqx s PRO 34 Cb -0.08 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2cqx s PRO 34 CO -0.12 -2.84 -0.08 0.16 0.04 0.00 0.00 177.00 174.16 2cqx s ASP 35 N -3.46 3.16 0.27 6.66 1.47 -1.26 -5.01 116.67 118.50 2cqx s ASP 35 Ca 0.66 -1.18 -0.02 0.00 1.18 0.00 0.00 52.55 53.19 2cqx s ASP 35 Cb -0.18 -0.24 0.58 0.00 -0.34 0.00 0.00 42.92 42.74 2cqx s ASP 35 CO 0.58 -0.27 1.42 1.21 0.68 0.00 0.00 175.17 178.79 2cqx n GLU 36 N -0.66 -0.08 -0.33 2.11 2.13 -1.26 0.90 120.64 123.45 2cqx n GLU 36 Ca -0.05 1.38 0.20 0.00 0.66 0.00 0.00 57.16 59.35 2cqx n GLU 36 Cb 0.63 -2.14 0.38 0.00 0.27 0.00 0.00 31.44 30.59 2cqx n GLU 36 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2cqx h LYS 37 N 0.00 0.02 0.02 5.31 1.57 -2.01 0.36 116.57 121.84 2cqx h LYS 37 Ca 0.50 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.13 2cqx h LYS 37 Cb 0.95 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.27 2cqx h LYS 37 CO -0.88 0.01 -0.60 -0.09 -0.57 0.00 0.00 179.45 177.32 2cqx h ARG 38 N 0.02 0.37 -0.69 3.15 2.43 0.12 -3.31 114.38 116.47 2cqx h ARG 38 Ca 0.68 -0.43 0.15 0.00 -0.81 0.00 0.00 59.98 59.57 2cqx h ARG 38 Cb 1.54 0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 31.11 2cqx h ARG 38 CO -0.86 1.11 0.09 -0.07 -1.51 0.00 0.00 179.97 178.73 2cqx h LEU 39 N -0.19 -0.14 -0.85 3.80 -0.00 0.08 -0.87 115.31 117.15 2cqx h LEU 39 Ca -0.08 0.15 0.23 0.00 -0.00 0.00 0.00 57.88 58.18 2cqx h LEU 39 Cb 1.34 0.24 -0.16 0.00 -0.00 0.00 0.00 40.66 42.08 2cqx h LEU 39 CO 0.12 -0.08 0.00 0.29 -0.00 0.00 0.00 178.44 178.77 2cqx n LYS 40 N -5.22 -0.07 0.09 1.13 4.76 -0.02 -0.33 118.16 118.51 2cqx n LYS 40 Ca 0.12 1.28 -0.04 0.00 -2.87 0.00 0.00 58.31 56.80 2cqx n LYS 40 Cb 0.42 -2.02 -0.02 0.00 -1.84 0.00 0.00 35.03 31.57 2cqx n LYS 40 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2cqx h GLY 41 N 0.00 -0.25 -0.79 0.72 0.00 -1.34 -3.27 103.07 98.13 2cqx h GLY 41 Ca 0.51 0.09 0.23 0.00 0.00 0.00 0.00 47.33 48.17 2cqx h GLY 41 CO -0.80 -0.09 -0.01 1.41 0.00 0.00 0.00 176.54 177.04 2cqx h LEU 42 N -0.32 -0.49 -1.09 3.11 3.38 -1.25 0.55 115.31 119.19 2cqx h LEU 42 Ca -0.02 0.26 0.42 0.00 0.09 0.00 0.00 57.88 58.63 2cqx h LEU 42 Cb 0.18 0.46 -0.17 0.00 0.09 0.00 0.00 40.66 41.23 2cqx h LEU 42 CO 0.04 -0.30 0.62 -1.28 0.09 0.00 0.00 178.44 177.61 2cqx h SER 43 N 0.04 0.31 0.05 -0.43 0.87 -0.73 0.14 113.55 113.80 2cqx h SER 43 Ca 0.53 0.23 -0.28 0.00 -1.23 0.00 0.00 61.79 61.04 2cqx h SER 43 Cb 1.02 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 2cqx h SER 43 CO -0.86 -0.38 -1.52 0.11 -0.53 0.00 0.00 176.83 173.66 2cqx h LYS 44 N 0.03 0.10 -0.36 2.24 1.57 -0.03 0.52 116.57 120.64 2cqx h LYS 44 Ca 0.85 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 59.51 2cqx h LYS 44 Cb 2.33 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 34.62 2cqx h LYS 44 CO -0.69 1.08 -0.47 0.37 -0.57 0.00 0.00 179.45 179.17 2cqx h GLN 45 N -0.61 -0.37 -0.71 3.15 4.15 0.33 -0.05 115.11 121.00 2cqx h GLN 45 Ca -0.37 0.03 -0.12 0.00 0.77 0.00 0.00 58.65 58.96 2cqx h GLN 45 Cb 1.57 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 29.28 2cqx h GLN 45 CO -0.10 -0.25 0.15 1.28 -1.93 0.00 0.00 178.83 177.98 2cqx n LEU 46 N -5.41 5.59 -4.39 -2.39 4.77 0.26 -4.91 117.00 110.53 2cqx n LEU 46 Ca -0.02 -2.88 -0.40 0.00 -0.03 0.00 0.00 56.01 52.68 2cqx n LEU 46 Cb 0.35 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2cqx n LEU 46 CO 0.04 0.69 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.99 2cqx n ASP 47 N 0.18 -2.02 -3.94 -1.43 2.03 -0.03 -4.90 116.55 106.45 2cqx n ASP 47 Ca 0.32 -1.12 -0.16 0.00 0.52 0.00 0.00 54.79 54.36 2cqx n ASP 47 Cb 1.23 -1.74 0.02 0.00 -0.72 0.00 0.00 41.12 39.90 2cqx n ASP 47 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2cqx n TRP 48 N -4.02 -1.49 -4.52 -0.67 7.02 0.18 -4.95 117.44 108.98 2cqx n TRP 48 Ca 0.11 -1.52 -0.33 0.00 -1.02 0.00 0.00 57.50 54.74 2cqx n TRP 48 Cb 0.46 -0.33 -0.11 0.00 -2.42 0.00 0.00 31.31 28.91 2cqx n TRP 48 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2cqx s SER 49 N -3.27 4.69 0.35 -0.99 0.15 -1.26 -4.39 113.70 108.98 2cqx s SER 49 Ca 0.28 -0.07 0.16 0.00 0.70 0.00 0.00 55.95 57.03 2cqx s SER 49 Cb -0.02 -1.15 1.17 0.00 -1.71 0.00 0.00 66.02 64.31 2cqx s SER 49 CO 0.18 0.32 1.62 1.62 1.20 0.00 0.00 173.24 178.19 2cqx h VAL 50 N 3.99 0.16 0.19 4.45 3.04 -1.92 0.19 116.25 126.36 2cqx h VAL 50 Ca -0.49 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 2cqx h VAL 50 Cb 1.17 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2cqx h VAL 50 CO 0.53 0.03 -0.09 0.03 -1.01 0.00 0.00 177.57 177.06 2cqx h ARG 51 N 0.17 -0.25 -0.80 4.17 3.08 -1.99 -2.89 114.38 115.87 2cqx h ARG 51 Ca 0.77 0.02 0.19 0.00 0.07 0.00 0.00 59.98 61.03 2cqx h ARG 51 Cb 1.88 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.87 2cqx h ARG 51 CO -0.69 0.09 0.19 -0.22 -1.07 0.00 0.00 179.97 178.28 2cqx h LYS 52 N -0.96 0.24 0.77 0.04 3.64 -1.50 -1.76 116.57 117.04 2cqx h LYS 52 Ca -0.03 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2cqx h LYS 52 Cb 0.46 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2cqx h LYS 52 CO 0.04 0.16 -0.42 0.82 -2.27 0.00 0.00 179.45 177.78 2cqx h ILE 53 N 0.24 0.14 -0.90 2.00 2.04 -0.78 -2.79 117.51 117.46 2cqx h ILE 53 Ca 0.47 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.60 2cqx h ILE 53 Cb 0.86 0.14 -0.17 0.00 -0.74 0.00 0.00 36.82 36.92 2cqx h ILE 53 CO -0.58 0.00 0.12 0.00 0.00 0.00 0.00 178.15 177.69 2cqx n GLN 54 N -5.58 -0.07 -0.21 2.37 6.02 -0.69 0.16 117.38 119.38 2cqx n GLN 54 Ca -0.14 1.33 0.00 0.00 -0.01 0.00 0.00 57.00 58.17 2cqx n GLN 54 Cb 0.45 -2.16 0.12 0.00 1.02 0.00 0.00 30.24 29.67 2cqx n GLN 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cqx h TRP 56 N 0.47 -0.44 -0.49 0.00 7.01 0.15 -2.00 115.95 120.65 2cqx h TRP 56 Ca 0.32 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.43 2cqx h TRP 56 Cb 0.37 0.21 -0.08 0.00 -2.10 0.00 0.00 29.16 27.56 2cqx h TRP 56 CO -0.15 -0.24 0.01 0.74 -2.79 0.00 0.00 178.44 176.01 2cqx h PHE 57 N -0.24 -0.01 -0.88 2.65 -1.00 -1.20 -0.02 116.94 116.24 2cqx h PHE 57 Ca 0.08 0.04 0.11 0.00 2.81 0.00 0.00 57.97 61.01 2cqx h PHE 57 Cb 0.35 0.08 -0.07 0.00 3.61 0.00 0.00 35.95 39.93 2cqx h PHE 57 CO -0.26 -0.10 0.57 0.00 -1.61 0.00 0.00 178.31 176.91 2cqx h ARG 58 N 0.13 0.79 0.58 1.51 3.08 -0.90 -2.51 114.38 117.06 2cqx h ARG 58 Ca 0.25 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2cqx h ARG 58 Cb 0.37 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.24 2cqx h ARG 58 CO -0.40 0.53 -0.28 1.25 -1.07 0.00 0.00 179.97 180.00 2cqx h HIS 59 N 0.82 -0.72 -0.65 3.04 2.76 -0.30 -3.17 115.15 116.92 2cqx h HIS 59 Ca 0.42 -0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.68 2cqx h HIS 59 Cb 0.50 0.24 -0.12 0.00 1.55 0.00 0.00 27.41 29.58 2cqx h HIS 59 CO -0.00 -0.41 -0.37 -0.09 -1.30 0.00 0.00 177.93 175.76 2cqx h ARG 60 N -0.90 -0.15 -0.92 5.26 9.65 -0.99 -0.62 114.38 125.71 2cqx h ARG 60 Ca -0.08 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.94 2cqx h ARG 60 Cb 0.64 0.03 -0.14 0.00 -1.39 0.00 0.00 29.97 29.12 2cqx h ARG 60 CO 0.13 -0.10 -0.40 0.54 2.80 0.00 0.00 179.97 182.94 2cqx n ARG 61 N -5.43 -0.26 -0.21 0.20 5.12 -1.04 0.73 116.66 115.77 2cqx n ARG 61 Ca 0.04 1.40 -0.06 0.00 -1.93 0.00 0.00 57.85 57.31 2cqx n ARG 61 Cb 0.36 -2.08 0.04 0.00 -1.16 0.00 0.00 32.46 29.62 2cqx n ARG 61 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 2cqx h ASN 62 N 0.00 0.70 0.23 0.55 7.08 -1.16 -2.97 115.58 120.02 2cqx h ASN 62 Ca 0.28 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.49 2cqx h ASN 62 Cb 0.51 -0.17 -0.02 0.00 -2.08 0.00 0.00 38.32 36.56 2cqx h ASN 62 CO -0.90 0.51 -0.23 1.56 -2.08 0.00 0.00 177.43 176.29 2cqx h GLN 63 N 0.82 -0.48 -0.96 4.14 4.20 0.10 -2.56 115.11 120.38 2cqx h GLN 63 Ca 0.22 0.03 0.27 0.00 0.06 0.00 0.00 58.65 59.23 2cqx h GLN 63 Cb -0.09 0.11 -0.18 0.00 0.30 0.00 0.00 27.48 27.62 2cqx h GLN 63 CO -0.05 -0.32 0.03 -3.47 -0.67 0.00 0.00 178.83 174.36 2cqx n ASP 64 N -5.36 -0.10 -4.78 1.46 -0.08 0.73 -4.31 116.55 104.12 2cqx n ASP 64 Ca -0.08 1.63 -0.37 0.00 -1.51 0.00 0.00 54.79 54.45 2cqx n ASP 64 Cb 0.27 -0.60 -0.06 0.00 2.34 0.00 0.00 41.12 43.07 2cqx n ASP 64 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2cqx s LYS 65 N -5.94 4.55 0.12 -0.67 1.02 -0.96 -4.98 119.74 112.88 2cqx s LYS 65 Ca -0.12 1.40 -0.13 0.00 0.02 0.00 0.00 55.97 57.14 2cqx s LYS 65 Cb 0.28 -2.83 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 2cqx s LYS 65 CO 0.75 0.24 1.45 -1.00 -0.92 0.00 0.00 175.35 175.86 2cqx h PRO 66 N 3.20 0.84 -6.99 -1.68 0.13 -1.82 -3.46 132.00 122.23 2cqx h PRO 66 Ca -0.47 -0.44 -0.39 0.00 -0.87 0.00 0.00 66.00 63.83 2cqx h PRO 66 Cb 1.20 0.02 0.22 0.00 0.13 0.00 0.00 31.00 32.56 2cqx h PRO 66 CO 0.65 1.08 -0.14 -1.13 -0.23 0.00 0.00 178.00 178.23 2cqx n SER 67 N -4.15 -3.24 0.00 1.44 3.41 -1.26 -5.02 113.62 104.80 2cqx n SER 67 Ca -0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 2cqx n SER 67 Cb 0.51 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2cqx n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqx n GLY 68 N 1.58 3.24 0.01 5.00 0.00 -1.26 -4.90 105.19 108.87 2cqx n GLY 68 Ca 0.09 -1.57 0.07 0.00 0.00 0.00 0.00 46.02 44.61 2cqx n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqx n PRO 69 N -1.81 0.02 -1.71 1.61 -0.04 -1.26 -4.82 135.00 126.98 2cqx n PRO 69 Ca 0.00 0.27 -0.59 0.00 -0.04 0.00 0.00 63.50 63.15 2cqx n PRO 69 Cb 0.00 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 2cqx n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqx n SER 70 N -1.58 2.22 -3.62 3.54 2.88 -1.26 -4.93 113.62 110.87 2cqx n SER 70 Ca 0.03 1.09 -0.15 0.00 -1.33 0.00 0.00 58.87 58.51 2cqx n SER 70 Cb 0.17 -1.11 -0.07 0.00 -0.75 0.00 0.00 64.21 62.45 2cqx n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqx s SER 71 N 3.40 -0.44 0.00 -3.46 0.15 -1.26 -5.16 113.70 106.92 2cqx s SER 71 Ca 0.99 0.37 0.00 0.00 0.70 0.00 0.00 55.95 58.01 2cqx s SER 71 Cb -1.12 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2cqx s SER 71 CO 0.67 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 175.14