#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 -0.21 -0.30 1.61 0.15 -1.26 -5.15 113.70 108.54 2cqx s SER 2 Ca 0.00 0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.80 2cqx s SER 2 Cb 0.00 0.39 0.16 0.00 -1.71 0.00 0.00 66.02 64.86 2cqx s SER 2 CO 0.00 -0.36 0.62 -0.94 1.20 0.00 0.00 173.24 173.76 2cqx s SER 3 N -0.97 -1.26 1.27 5.45 1.04 -1.26 -5.17 113.70 112.81 2cqx s SER 3 Ca -0.10 1.20 -0.17 0.00 0.48 0.00 0.00 55.95 57.35 2cqx s SER 3 Cb -0.05 2.22 0.29 0.00 0.10 0.00 0.00 66.02 68.59 2cqx s SER 3 CO 0.03 -0.24 0.77 0.61 0.98 0.00 0.00 173.24 175.39 2cqx n GLY 4 N 5.44 -2.80 0.31 7.32 0.00 -1.26 -5.00 105.19 109.20 2cqx n GLY 4 Ca -0.06 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2cqx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqx n SER 5 N -4.53 1.65 -4.15 1.61 3.41 -1.26 -5.04 113.62 105.31 2cqx n SER 5 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.37 2cqx n SER 5 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2cqx n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cqx n SER 6 N -2.18 -0.46 -4.36 4.04 7.64 -1.26 -4.94 113.62 112.10 2cqx n SER 6 Ca 0.00 -1.11 -0.20 0.00 1.01 0.00 0.00 58.87 58.57 2cqx n SER 6 Cb 0.26 -2.43 0.02 0.00 -1.01 0.00 0.00 64.21 61.05 2cqx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqx n GLY 7 N -2.03 2.55 0.00 0.23 0.00 -1.26 -5.13 105.19 99.55 2cqx n GLY 7 Ca -0.23 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.57 3.54 3.72 -0.02 0.00 -1.26 -5.13 105.19 105.47 2cqx n GLY 8 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2cqx n GLY 8 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2cqx s ILE 9 N 0.08 3.13 0.17 -0.61 -4.36 -1.26 -4.98 121.20 113.37 2cqx s ILE 9 Ca 0.00 0.83 -0.23 0.00 -0.26 0.00 0.00 60.65 60.99 2cqx s ILE 9 Cb 0.00 -3.53 0.08 0.00 1.25 0.00 0.00 42.46 40.25 2cqx s ILE 9 CO 0.00 0.08 1.04 -1.59 0.24 0.00 0.00 174.94 174.71 2cqx s LYS 10 N 0.85 1.24 -0.07 0.37 -2.85 -1.26 -5.17 119.74 112.85 2cqx s LYS 10 Ca 0.64 -0.79 -0.03 0.00 -1.00 0.00 0.00 55.97 54.79 2cqx s LYS 10 Cb -0.38 0.36 0.04 0.00 -2.06 0.00 0.00 37.83 35.79 2cqx s LYS 10 CO 0.32 -0.58 0.17 0.16 0.10 0.00 0.00 175.35 175.52 2cqx s ASP 11 N -3.34 -0.11 0.02 0.03 -4.77 -1.26 -5.16 116.67 102.08 2cqx s ASP 11 Ca 0.21 0.35 0.03 0.00 -3.30 0.00 0.00 52.55 49.83 2cqx s ASP 11 Cb -0.02 0.24 -0.01 0.00 -1.09 0.00 0.00 42.92 42.03 2cqx s ASP 11 CO 0.04 -0.16 -0.08 -0.44 0.70 0.00 0.00 175.17 175.23 2cqx s SER 12 N 1.24 0.96 1.11 2.11 0.01 -1.26 -5.16 113.70 112.70 2cqx s SER 12 Ca -0.09 -0.33 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 2cqx s SER 12 Cb -0.11 -0.05 0.13 0.00 0.21 0.00 0.00 66.02 66.20 2cqx s SER 12 CO -0.07 -0.03 0.46 -0.81 0.41 0.00 0.00 173.24 173.20 2cqx n PRO 13 N 2.21 -1.92 -1.16 12.44 -0.04 -1.26 -4.84 135.00 140.43 2cqx n PRO 13 Ca -0.17 -0.74 -0.45 0.00 -0.04 0.00 0.00 63.50 62.10 2cqx n PRO 13 Cb 0.56 -0.69 -0.06 0.00 -0.04 0.00 0.00 33.50 33.27 2cqx n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2cqx n VAL 14 N -3.50 0.00 -3.49 0.52 0.31 -1.26 -4.87 118.33 106.04 2cqx n VAL 14 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.97 2cqx n VAL 14 Cb 0.25 -0.11 -0.07 0.00 -0.91 0.00 0.00 33.84 33.00 2cqx n VAL 14 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2cqx s ASN 15 N 0.64 5.89 -0.31 4.52 -0.87 -1.26 -5.02 114.94 118.52 2cqx s ASN 15 Ca 0.70 -2.07 0.03 0.00 -1.57 0.00 0.00 52.86 49.95 2cqx s ASN 15 Cb -0.98 -2.06 0.09 0.00 -0.02 0.00 0.00 41.25 38.27 2cqx s ASN 15 CO 0.47 -0.68 0.01 -0.75 -2.57 0.00 0.00 177.10 173.58 2cqx s LYS 16 N 1.13 1.62 0.23 -0.60 2.20 -1.26 -5.00 119.74 118.06 2cqx s LYS 16 Ca 0.08 -1.64 -0.10 0.00 -0.36 0.00 0.00 55.97 53.95 2cqx s LYS 16 Cb -0.24 -3.01 0.33 0.00 -1.51 0.00 0.00 37.83 33.39 2cqx s LYS 16 CO -0.01 -0.83 1.34 1.55 -0.36 0.00 0.00 175.35 177.04 2cqx n VAL 17 N 4.36 -0.39 -3.68 4.02 3.14 -1.26 -4.67 118.33 119.84 2cqx n VAL 17 Ca -0.02 1.99 -0.10 0.00 -2.96 0.00 0.00 64.34 63.25 2cqx n VAL 17 Cb 0.42 -2.70 -0.04 0.00 -1.06 0.00 0.00 33.84 30.46 2cqx n VAL 17 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2cqx s GLU 18 N -5.99 1.29 0.00 1.45 2.02 -1.26 -5.02 118.70 111.19 2cqx s GLU 18 Ca -0.13 -0.79 0.11 0.00 0.02 0.00 0.00 54.97 54.18 2cqx s GLU 18 Cb 0.21 0.51 0.63 0.00 0.10 0.00 0.00 34.13 35.59 2cqx s GLU 18 CO 0.65 -0.54 1.07 -0.35 0.02 0.00 0.00 175.26 176.11 2cqx n PRO 19 N -0.31 0.49 -0.31 0.39 -0.04 -1.26 -3.38 135.00 130.57 2cqx n PRO 19 Ca -0.12 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.28 2cqx n PRO 19 Cb 0.63 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.84 3.11 -0.33 3.54 5.03 -1.26 -4.42 115.26 120.09 2cqx n ASN 20 Ca 0.08 -2.40 0.21 0.00 0.87 0.00 0.00 54.58 53.33 2cqx n ASN 20 Cb 0.04 -0.59 0.47 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 0.33 0.52 -1.05 6.41 3.04 -2.00 -0.68 116.42 122.99 2cqx h ASP 21 Ca 0.15 0.09 0.41 0.00 -3.24 0.00 0.00 57.03 54.44 2cqx h ASP 21 Cb 1.44 0.01 -0.15 0.00 -1.04 0.00 0.00 39.33 39.58 2cqx h ASP 21 CO 0.28 0.11 0.62 0.41 -2.04 0.00 0.00 179.24 178.62 2cqx n THR 22 N -4.68 -0.33 -0.20 1.15 -1.04 -1.26 0.19 114.28 108.11 2cqx n THR 22 Ca 0.25 1.80 -0.07 0.00 -2.04 0.00 0.00 64.05 63.99 2cqx n THR 22 Cb 0.81 -2.94 0.02 0.00 -1.82 0.00 0.00 70.33 66.41 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 0.75 -1.47 -4.42 4.07 -1.50 -2.61 115.31 110.13 2cqx h LEU 23 Ca 0.80 -0.14 0.47 0.00 0.08 0.00 0.00 57.88 59.08 2cqx h LEU 23 Cb 2.28 -0.19 -0.13 0.00 1.08 0.00 0.00 40.66 43.70 2cqx h LEU 23 CO -0.61 0.68 0.93 -0.08 -1.08 0.00 0.00 178.44 178.28 2cqx h GLU 24 N 0.77 0.04 0.05 1.13 4.22 0.20 0.24 114.58 121.22 2cqx h GLU 24 Ca 0.19 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.63 2cqx h GLU 24 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2cqx h GLU 24 CO -0.02 0.03 -0.02 -0.22 -2.18 0.00 0.00 179.01 176.59 2cqx h LYS 25 N 0.04 -0.06 -1.21 1.92 1.63 -1.51 -3.30 116.57 114.08 2cqx h LYS 25 Ca 0.86 0.00 0.38 0.00 -0.85 0.00 0.00 60.65 61.04 2cqx h LYS 25 Cb 2.82 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 34.34 2cqx h LYS 25 CO -0.39 -0.04 0.77 -0.24 -3.45 0.00 0.00 179.45 176.10 2cqx h VAL 26 N -0.21 0.24 -0.58 2.00 3.04 -1.29 0.98 116.25 120.43 2cqx h VAL 26 Ca -0.01 -0.06 0.11 0.00 -1.01 0.00 0.00 66.70 65.73 2cqx h VAL 26 Cb 0.05 0.04 -0.08 0.00 -2.01 0.00 0.00 31.29 29.29 2cqx h VAL 26 CO 0.01 0.03 0.13 0.15 -1.01 0.00 0.00 177.57 176.88 2cqx h PHE 27 N 0.18 0.20 -0.22 3.17 3.04 -0.64 0.33 116.94 123.00 2cqx h PHE 27 Ca 0.75 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.74 2cqx h PHE 27 Cb 2.21 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.72 2cqx h PHE 27 CO -0.01 -0.02 0.00 1.55 -2.02 0.00 0.00 178.31 177.82 2cqx n VAL 28 N -5.12 0.40 -0.13 1.41 3.14 0.12 -0.24 118.33 117.91 2cqx n VAL 28 Ca 0.08 -0.70 -0.27 0.00 -2.96 0.00 0.00 64.34 60.49 2cqx n VAL 28 Cb 0.31 1.01 -0.11 0.00 -1.06 0.00 0.00 33.84 33.99 2cqx n VAL 28 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2cqx n SER 29 N 0.97 1.96 -0.09 6.55 2.88 0.30 -4.81 113.62 121.37 2cqx n SER 29 Ca 0.13 0.27 -0.16 0.00 -1.33 0.00 0.00 58.87 57.78 2cqx n SER 29 Cb 0.45 -0.77 -0.07 0.00 -0.75 0.00 0.00 64.21 63.07 2cqx n SER 29 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2cqx n VAL 30 N -4.10 0.96 -3.62 2.46 0.24 0.10 -5.00 118.33 109.38 2cqx n VAL 30 Ca -0.51 -0.30 -0.06 0.00 -2.04 0.00 0.00 64.34 61.43 2cqx n VAL 30 Cb 0.89 -1.44 -0.05 0.00 -1.47 0.00 0.00 33.84 31.76 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 -2.33 0.00 0.10 3.34 -1.32 -0.56 -5.04 115.64 109.84 2cqx s THR 31 Ca -0.24 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.30 2cqx s THR 31 Cb 0.08 -1.00 -0.22 0.00 -1.51 0.00 0.00 72.50 69.85 2cqx s THR 31 CO 0.34 0.00 1.22 0.11 -2.21 0.00 0.00 174.62 174.08 2cqx h LYS 32 N 2.72 0.04 -3.27 7.08 1.57 -0.86 -3.30 116.57 120.55 2cqx h LYS 32 Ca -0.18 -0.07 -0.67 0.00 -1.87 0.00 0.00 60.65 57.86 2cqx h LYS 32 Cb 1.18 0.03 -0.38 0.00 0.08 0.00 0.00 32.23 33.14 2cqx h LYS 32 CO 0.23 1.00 -0.31 0.71 -0.57 0.00 0.00 179.45 180.51 2cqx s TYR 33 N -2.69 3.71 1.03 -1.35 1.51 -1.26 -4.94 117.35 113.35 2cqx s TYR 33 Ca -0.00 -3.11 -0.13 0.00 -1.01 0.00 0.00 57.07 52.82 2cqx s TYR 33 Cb 0.09 -3.04 0.20 0.00 -0.11 0.00 0.00 41.96 39.10 2cqx s TYR 33 CO 0.83 -0.68 1.09 -1.25 -1.11 0.00 0.00 175.55 174.43 2cqx s PRO 34 N -1.21 0.21 0.17 -1.71 0.04 -1.26 -5.09 135.00 126.15 2cqx s PRO 34 Ca 0.25 0.45 0.03 0.00 0.04 0.00 0.00 61.00 61.77 2cqx s PRO 34 Cb -0.09 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2cqx s PRO 34 CO -0.12 -2.86 -0.04 -0.51 0.04 0.00 0.00 177.00 173.50 2cqx s ASP 35 N -3.48 1.51 0.22 6.66 1.11 -1.26 -5.02 116.67 116.40 2cqx s ASP 35 Ca 0.66 -1.11 -0.05 0.00 0.18 0.00 0.00 52.55 52.23 2cqx s ASP 35 Cb -0.18 0.05 0.40 0.00 1.07 0.00 0.00 42.92 44.26 2cqx s ASP 35 CO 0.58 -0.47 1.21 1.21 1.18 0.00 0.00 175.17 178.87 2cqx n GLU 36 N -0.24 -0.07 -0.38 8.23 2.13 -1.26 0.48 120.64 129.55 2cqx n GLU 36 Ca -0.08 1.20 -0.00 0.00 0.66 0.00 0.00 57.16 58.93 2cqx n GLU 36 Cb 0.62 -1.81 0.05 0.00 0.27 0.00 0.00 31.44 30.57 2cqx n GLU 36 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2cqx n LYS 37 N -5.23 -0.22 -0.02 5.31 4.76 -1.26 -0.66 118.16 120.84 2cqx n LYS 37 Ca 0.13 1.51 -0.13 0.00 -2.87 0.00 0.00 58.31 56.96 2cqx n LYS 37 Cb 0.43 -2.25 -0.10 0.00 -1.84 0.00 0.00 35.03 31.27 2cqx n LYS 37 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2cqx h ARG 38 N 0.00 0.05 -0.95 1.97 2.43 -0.37 -3.21 114.38 114.30 2cqx h ARG 38 Ca 0.35 -0.03 0.30 0.00 -0.81 0.00 0.00 59.98 59.79 2cqx h ARG 38 Cb 0.60 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.99 2cqx h ARG 38 CO -0.98 0.57 0.32 -0.07 -1.51 0.00 0.00 179.97 178.30 2cqx h LEU 39 N -0.46 0.06 -0.98 3.80 -0.00 -0.23 0.25 115.31 117.74 2cqx h LEU 39 Ca 0.00 0.23 0.28 0.00 -0.00 0.00 0.00 57.88 58.39 2cqx h LEU 39 Cb 0.56 0.29 -0.18 0.00 -0.00 0.00 0.00 40.66 41.33 2cqx h LEU 39 CO 0.01 -0.26 0.08 0.11 -0.00 0.00 0.00 178.44 178.38 2cqx h LYS 40 N 0.14 0.02 0.37 1.13 1.57 -0.88 0.24 116.57 119.15 2cqx h LYS 40 Ca 0.66 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.42 2cqx h LYS 40 Cb 1.49 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2cqx h LYS 40 CO -0.73 0.01 -0.18 0.78 -0.57 0.00 0.00 179.45 178.76 2cqx h GLY 41 N 0.02 -0.51 -0.49 3.86 0.00 -0.68 -3.19 103.07 102.07 2cqx h GLY 41 Ca 0.62 0.19 0.32 0.00 0.00 0.00 0.00 47.33 48.46 2cqx h GLY 41 CO -0.90 -0.19 0.64 1.41 0.00 0.00 0.00 176.54 177.51 2cqx h LEU 42 N -0.66 0.48 -0.90 3.11 3.38 -1.34 0.28 115.31 119.66 2cqx h LEU 42 Ca -0.05 0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.30 2cqx h LEU 42 Cb 0.38 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 2cqx h LEU 42 CO 0.08 -0.06 0.36 -1.28 0.09 0.00 0.00 178.44 177.63 2cqx h SER 43 N 0.33 0.26 0.02 -0.43 0.87 -0.55 0.47 113.55 114.53 2cqx h SER 43 Ca 0.71 0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 61.33 2cqx h SER 43 Cb 1.73 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 2cqx h SER 43 CO -0.49 -0.05 -0.57 0.50 -0.53 0.00 0.00 176.83 175.69 2cqx h LYS 44 N 0.34 0.05 -0.55 2.24 1.63 -0.55 0.73 116.57 120.46 2cqx h LYS 44 Ca 0.57 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 60.37 2cqx h LYS 44 Cb 1.12 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.68 2cqx h LYS 44 CO -0.57 1.04 -0.49 0.37 -3.45 0.00 0.00 179.45 176.35 2cqx h GLN 45 N -0.89 -0.26 -0.81 1.90 4.15 -0.66 0.11 115.11 118.65 2cqx h GLN 45 Ca -0.14 0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.04 2cqx h GLN 45 Cb 1.21 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 28.81 2cqx h GLN 45 CO -0.05 -0.17 0.32 1.28 -1.93 0.00 0.00 178.83 178.28 2cqx n LEU 46 N -5.39 6.04 -3.91 -2.39 4.77 0.10 -4.91 117.00 111.31 2cqx n LEU 46 Ca -0.00 -3.16 -0.32 0.00 -0.03 0.00 0.00 56.01 52.50 2cqx n LEU 46 Cb 0.34 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 2cqx n LEU 46 CO -0.02 0.82 -0.18 -0.67 -1.33 0.00 0.00 177.39 176.02 2cqx n ASP 47 N -0.27 -1.00 -3.54 -1.43 2.03 0.38 -4.88 116.55 107.85 2cqx n ASP 47 Ca 0.42 -0.99 -0.13 0.00 0.52 0.00 0.00 54.79 54.61 2cqx n ASP 47 Cb 1.39 -1.26 0.01 0.00 -0.72 0.00 0.00 41.12 40.54 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 -3.41 -1.32 -4.70 -0.67 7.02 0.25 -4.96 117.44 109.66 2cqx n TRP 48 Ca 0.02 -1.23 -0.33 0.00 -1.02 0.00 0.00 57.50 54.94 2cqx n TRP 48 Cb 0.39 -0.25 -0.12 0.00 -2.42 0.00 0.00 31.31 28.91 2cqx n TRP 48 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2cqx s SER 49 N -2.77 4.32 0.34 -0.99 0.01 -1.26 -4.47 113.70 108.88 2cqx s SER 49 Ca 0.20 -0.15 0.15 0.00 1.31 0.00 0.00 55.95 57.45 2cqx s SER 49 Cb -0.02 -0.97 1.12 0.00 0.21 0.00 0.00 66.02 66.36 2cqx s SER 49 CO 0.13 0.33 1.63 1.62 0.41 0.00 0.00 173.24 177.36 2cqx h VAL 50 N 4.15 0.20 0.15 3.43 3.04 -1.93 0.14 116.25 125.42 2cqx h VAL 50 Ca -0.48 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 2cqx h VAL 50 Cb 1.16 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2cqx h VAL 50 CO 0.51 0.04 -0.07 0.03 -1.01 0.00 0.00 177.57 177.07 2cqx h ARG 51 N 0.20 -0.19 -0.79 4.17 3.08 -1.99 -2.40 114.38 116.46 2cqx h ARG 51 Ca 0.75 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.99 2cqx h ARG 51 Cb 1.78 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.76 2cqx h ARG 51 CO -0.68 0.25 0.23 -0.22 -1.07 0.00 0.00 179.97 178.49 2cqx h LYS 52 N -0.85 0.29 0.43 0.04 3.64 -1.43 -1.88 116.57 116.81 2cqx h LYS 52 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2cqx h LYS 52 Cb 0.53 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2cqx h LYS 52 CO 0.03 0.19 -0.21 0.82 -2.27 0.00 0.00 179.45 178.01 2cqx h ILE 53 N 0.30 0.54 -0.84 2.00 2.04 -0.89 -3.04 117.51 117.61 2cqx h ILE 53 Ca 0.46 -0.35 0.30 0.00 1.00 0.00 0.00 64.86 66.27 2cqx h ILE 53 Cb 0.82 0.69 -0.15 0.00 -0.74 0.00 0.00 36.82 37.45 2cqx h ILE 53 CO -0.53 0.06 0.26 0.00 0.00 0.00 0.00 178.15 177.94 2cqx n GLN 54 N -5.26 -0.06 -0.15 2.37 1.13 -0.73 0.19 117.38 114.88 2cqx n GLN 54 Ca -0.11 1.20 -0.06 0.00 -1.94 0.00 0.00 57.00 56.09 2cqx n GLN 54 Cb 0.29 -2.04 0.03 0.00 0.11 0.00 0.00 30.24 28.62 2cqx n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2cqx h TRP 56 N 0.51 -0.42 -0.54 0.00 7.01 0.20 -0.77 115.95 121.95 2cqx h TRP 56 Ca 0.18 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.29 2cqx h TRP 56 Cb 0.04 0.18 -0.08 0.00 -2.10 0.00 0.00 29.16 27.20 2cqx h TRP 56 CO -0.08 -0.24 0.08 0.74 -2.79 0.00 0.00 178.44 176.15 2cqx h PHE 57 N -0.29 0.11 0.36 2.65 0.04 -1.22 0.36 116.94 118.95 2cqx h PHE 57 Ca 0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2cqx h PHE 57 Cb 0.33 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 2cqx h PHE 57 CO -0.19 -0.05 -0.21 -0.09 -0.60 0.00 0.00 178.31 177.16 2cqx h ARG 58 N 0.20 -0.53 -0.62 1.51 2.43 -0.99 -2.55 114.38 113.84 2cqx h ARG 58 Ca 0.27 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.50 2cqx h ARG 58 Cb 0.40 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2cqx h ARG 58 CO -0.39 -0.35 0.41 1.25 -1.51 0.00 0.00 179.97 179.38 2cqx h HIS 59 N -0.55 0.74 -0.04 2.20 2.76 -0.61 -3.05 115.15 116.61 2cqx h HIS 59 Ca -0.04 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2cqx h HIS 59 Cb 0.45 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 2cqx h HIS 59 CO -0.09 0.44 -0.34 -0.09 -1.30 0.00 0.00 177.93 176.56 2cqx h ARG 60 N 0.78 -0.38 -0.77 5.26 9.65 0.13 -2.44 114.38 126.61 2cqx h ARG 60 Ca 0.24 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.23 2cqx h ARG 60 Cb 0.01 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 28.57 2cqx h ARG 60 CO -0.06 -0.26 -0.40 0.54 2.80 0.00 0.00 179.97 182.60 2cqx n ARG 61 N -4.36 -0.28 -0.22 0.20 1.74 -1.14 0.26 116.66 112.86 2cqx n ARG 61 Ca -0.04 1.17 -0.08 0.00 -0.77 0.00 0.00 57.85 58.13 2cqx n ARG 61 Cb 0.24 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 2cqx n ARG 61 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2cqx h ASN 62 N 0.00 -1.46 -0.18 0.55 -0.26 -1.54 -0.70 115.58 112.00 2cqx h ASN 62 Ca 0.18 0.25 0.02 0.00 -0.56 0.00 0.00 56.30 56.18 2cqx h ASN 62 Cb 0.37 0.68 -0.02 0.00 -1.06 0.00 0.00 38.32 38.29 2cqx h ASN 62 CO -0.74 -0.33 0.07 1.56 -1.06 0.00 0.00 177.43 176.93 2cqx h GLN 63 N -0.20 0.15 -0.73 0.81 4.20 0.05 -2.75 115.11 116.64 2cqx h GLN 63 Ca 0.20 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 59.08 2cqx h GLN 63 Cb 0.56 -0.03 -0.14 0.00 0.30 0.00 0.00 27.48 28.17 2cqx h GLN 63 CO -0.71 0.10 -0.06 -3.47 -0.67 0.00 0.00 178.83 174.02 2cqx n ASP 64 N -5.04 -0.15 -4.76 1.46 -0.08 0.23 -4.25 116.55 103.95 2cqx n ASP 64 Ca -0.03 1.24 -0.41 0.00 -1.51 0.00 0.00 54.79 54.08 2cqx n ASP 64 Cb 0.06 -0.42 -0.03 0.00 2.34 0.00 0.00 41.12 43.07 2cqx n ASP 64 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2cqx s LYS 65 N -5.75 4.45 -0.08 -0.67 2.47 -1.04 -4.96 119.74 114.17 2cqx s LYS 65 Ca -0.10 2.05 -0.30 0.00 -1.56 0.00 0.00 55.97 56.07 2cqx s LYS 65 Cb 0.21 -3.13 -0.04 0.00 -1.46 0.00 0.00 37.83 33.40 2cqx s LYS 65 CO 0.57 -0.07 1.51 -1.25 0.16 0.00 0.00 175.35 176.27 2cqx s PRO 66 N -1.39 4.21 -0.06 4.03 0.04 -1.26 -5.00 135.00 135.57 2cqx s PRO 66 Ca 0.49 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.51 2cqx s PRO 66 Cb -0.37 -3.87 0.04 0.00 0.04 0.00 0.00 34.50 30.34 2cqx s PRO 66 CO 0.47 -0.78 0.08 0.45 0.04 0.00 0.00 177.00 177.26 2cqx s SER 67 N 2.77 1.12 0.00 6.66 0.15 -1.26 -5.11 113.70 118.03 2cqx s SER 67 Ca 0.67 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2cqx s SER 67 Cb -0.30 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2cqx s SER 67 CO 0.25 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2cqx n GLY 68 N 5.30 3.97 3.68 9.45 0.00 -1.26 -5.12 105.19 121.21 2cqx n GLY 68 Ca -0.04 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 2cqx n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqx s PRO 69 N -4.38 0.45 0.11 1.61 0.04 -1.26 -5.09 135.00 126.49 2cqx s PRO 69 Ca 0.00 0.54 0.01 0.00 0.04 0.00 0.00 61.00 61.58 2cqx s PRO 69 Cb 0.00 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2cqx s PRO 69 CO 0.00 -2.72 -0.02 0.45 0.04 0.00 0.00 177.00 174.75 2cqx s SER 70 N -3.45 0.88 -0.18 6.66 0.15 -1.26 -5.15 113.70 111.36 2cqx s SER 70 Ca 0.65 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2cqx s SER 70 Cb -0.19 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2cqx s SER 70 CO 0.58 -0.56 -0.16 -0.44 1.20 0.00 0.00 173.24 173.85 2cqx s SER 71 N -3.05 3.07 0.00 5.45 0.01 -1.26 -5.33 113.70 112.59 2cqx s SER 71 Ca 0.16 -0.66 0.06 0.00 1.31 0.00 0.00 55.95 56.82 2cqx s SER 71 Cb 0.06 -1.33 0.05 0.00 0.21 0.00 0.00 66.02 65.01 2cqx s SER 71 CO -0.03 -0.05 0.69 0.61 0.41 0.00 0.00 173.24 174.87