#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 6.11 -0.33 1.61 0.01 -1.26 -5.07 113.70 114.78 2cqx s SER 2 Ca 0.00 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.50 2cqx s SER 2 Cb 0.00 -2.07 0.10 0.00 0.21 0.00 0.00 66.02 64.26 2cqx s SER 2 CO 0.00 0.19 0.05 -0.55 0.41 0.00 0.00 173.24 173.34 2cqx s SER 3 N 0.32 4.56 0.24 2.44 0.15 -1.26 -5.04 113.70 115.11 2cqx s SER 3 Ca 0.07 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 54.74 2cqx s SER 3 Cb -0.11 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2cqx s SER 3 CO -0.01 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2cqx n GLY 4 N 4.41 -3.46 1.01 9.45 0.00 -1.26 -5.03 105.19 110.31 2cqx n GLY 4 Ca 0.02 -1.06 -0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.63 0.82 -3.70 1.61 3.41 -1.26 -5.07 113.62 107.80 2cqx n SER 5 Ca 0.00 0.10 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 2cqx n SER 5 Cb 0.14 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 2cqx n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqx s SER 6 N -5.72 0.36 0.00 4.04 0.15 -1.26 -5.08 113.70 106.19 2cqx s SER 6 Ca -0.01 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2cqx s SER 6 Cb 0.00 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2cqx s SER 6 CO 0.01 -0.21 0.52 0.61 1.20 0.00 0.00 173.24 175.38 2cqx n GLY 7 N 4.87 -1.53 0.00 9.45 0.00 -1.26 -5.06 105.19 111.66 2cqx n GLY 7 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.34 0.11 0.02 -0.02 0.00 -1.26 -4.90 105.19 99.49 2cqx n GLY 8 Ca 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 2cqx n GLY 8 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cqx n ILE 9 N 0.21 0.31 -4.00 -0.61 -5.35 -1.26 -5.00 119.36 103.65 2cqx n ILE 9 Ca 0.00 -0.17 -0.32 0.00 -0.27 0.00 0.00 62.75 61.99 2cqx n ILE 9 Cb 0.00 -0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 37.01 2cqx n ILE 9 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2cqx n LYS 10 N -2.30 -1.36 0.07 6.28 2.85 -1.26 -4.79 118.16 117.65 2cqx n LYS 10 Ca -0.08 0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 2cqx n LYS 10 Cb 0.63 -4.67 -0.07 0.00 -0.65 0.00 0.00 35.03 30.28 2cqx n LYS 10 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2cqx h ASP 11 N -0.65 -1.20 -4.30 -5.58 3.58 -2.03 -3.44 116.42 102.80 2cqx h ASP 11 Ca -0.44 0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.02 2cqx h ASP 11 Cb 1.29 0.47 -0.23 0.00 1.72 0.00 0.00 39.33 42.58 2cqx h ASP 11 CO 0.66 -0.45 -0.31 -0.94 -2.88 0.00 0.00 179.24 175.32 2cqx s SER 12 N -4.78 -0.28 -0.04 2.28 1.04 -1.26 -5.13 113.70 105.52 2cqx s SER 12 Ca -0.16 0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.41 2cqx s SER 12 Cb 0.08 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2cqx s SER 12 CO 0.64 -0.24 1.48 -2.16 0.98 0.00 0.00 173.24 173.93 2cqx s PRO 13 N -0.41 4.24 0.13 4.02 0.04 -1.26 -4.92 135.00 136.83 2cqx s PRO 13 Ca -0.05 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 2cqx s PRO 13 Cb -0.03 -3.73 -0.07 0.00 0.04 0.00 0.00 34.50 30.70 2cqx s PRO 13 CO 0.02 -0.69 1.43 -0.24 0.04 0.00 0.00 177.00 177.56 2cqx h VAL 14 N 5.19 1.28 -4.43 -0.36 3.04 -2.01 -3.45 116.25 115.51 2cqx h VAL 14 Ca -0.37 -1.64 -0.47 0.00 -1.01 0.00 0.00 66.70 63.21 2cqx h VAL 14 Cb 1.17 1.54 0.11 0.00 -2.01 0.00 0.00 31.29 32.10 2cqx h VAL 14 CO 0.93 0.54 0.36 0.20 -1.01 0.00 0.00 177.57 178.59 2cqx s ASN 15 N -6.86 4.18 -0.06 3.17 -0.87 -1.26 -5.09 114.94 108.14 2cqx s ASN 15 Ca -0.11 0.92 -0.06 0.00 -1.57 0.00 0.00 52.86 52.05 2cqx s ASN 15 Cb 0.10 -1.49 0.02 0.00 -0.02 0.00 0.00 41.25 39.86 2cqx s ASN 15 CO 0.88 -2.13 0.17 -0.75 -2.57 0.00 0.00 177.10 172.70 2cqx s LYS 16 N -5.41 0.19 -0.14 -0.60 2.47 -1.26 -5.07 119.74 109.93 2cqx s LYS 16 Ca 0.62 0.24 -0.26 0.00 -1.56 0.00 0.00 55.97 55.01 2cqx s LYS 16 Cb -0.13 0.08 -0.23 0.00 -1.46 0.00 0.00 37.83 36.09 2cqx s LYS 16 CO 0.51 -0.03 0.67 -0.39 0.16 0.00 0.00 175.35 176.27 2cqx h VAL 17 N 4.94 1.59 -2.73 4.02 -1.51 -2.00 -3.49 116.25 117.07 2cqx h VAL 17 Ca -0.26 -2.21 0.04 0.00 -1.23 0.00 0.00 66.70 63.04 2cqx h VAL 17 Cb 1.20 3.02 -0.12 0.00 -2.13 0.00 0.00 31.29 33.26 2cqx h VAL 17 CO 0.40 0.54 0.32 -1.61 -1.23 0.00 0.00 177.57 175.99 2cqx s GLU 18 N -2.17 1.17 0.00 5.19 0.41 -1.26 -5.01 118.70 117.03 2cqx s GLU 18 Ca -0.18 -0.47 0.11 0.00 -0.41 0.00 0.00 54.97 54.02 2cqx s GLU 18 Cb -0.02 0.51 0.63 0.00 -1.78 0.00 0.00 34.13 33.47 2cqx s GLU 18 CO 0.62 -0.52 1.07 -0.35 -0.49 0.00 0.00 175.26 175.59 2cqx n PRO 19 N -0.35 0.48 -0.23 0.39 -0.04 -1.26 -3.29 135.00 130.70 2cqx n PRO 19 Ca -0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2cqx n PRO 19 Cb 0.63 -1.34 0.06 0.00 -0.04 0.00 0.00 33.50 32.81 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 2.60 -0.40 3.54 4.13 -1.26 -4.40 115.26 118.63 2cqx n ASN 20 Ca 0.08 -2.28 0.33 0.00 1.68 0.00 0.00 54.58 54.39 2cqx n ASN 20 Cb 0.04 -0.56 0.63 0.00 -1.54 0.00 0.00 39.78 38.35 2cqx n ASN 20 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 2cqx h ASP 21 N 0.54 0.26 -1.43 6.41 1.82 -2.01 0.84 116.42 122.85 2cqx h ASP 21 Ca 0.07 0.09 0.48 0.00 -0.39 0.00 0.00 57.03 57.28 2cqx h ASP 21 Cb 1.12 0.06 -0.13 0.00 0.68 0.00 0.00 39.33 41.05 2cqx h ASP 21 CO 0.17 -0.05 0.93 0.41 -1.61 0.00 0.00 179.24 179.10 2cqx n THR 22 N -4.54 -0.23 -0.21 2.25 -1.04 -1.26 0.20 114.28 109.44 2cqx n THR 22 Ca 0.32 1.76 -0.08 0.00 -2.04 0.00 0.00 64.05 64.01 2cqx n THR 22 Cb 1.25 -2.89 0.03 0.00 -1.82 0.00 0.00 70.33 66.90 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 0.96 -1.02 -4.42 4.07 -1.21 -2.90 115.31 110.80 2cqx h LEU 23 Ca 0.88 -0.26 0.38 0.00 0.08 0.00 0.00 57.88 58.95 2cqx h LEU 23 Cb 2.91 -0.26 -0.16 0.00 1.08 0.00 0.00 40.66 44.23 2cqx h LEU 23 CO -0.42 0.98 0.57 -0.08 -1.08 0.00 0.00 178.44 178.41 2cqx h GLU 24 N 0.91 0.15 0.10 1.13 4.81 0.21 0.25 114.58 122.14 2cqx h GLU 24 Ca 0.18 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2cqx h GLU 24 Cb 0.43 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2cqx h GLU 24 CO 0.01 0.10 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.12 2cqx h LYS 25 N 0.15 -0.13 -1.10 1.92 3.64 -1.57 -3.25 116.57 116.24 2cqx h LYS 25 Ca 0.80 0.01 0.36 0.00 -1.27 0.00 0.00 60.65 60.54 2cqx h LYS 25 Cb 2.00 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 33.71 2cqx h LYS 25 CO -0.68 -0.09 0.66 -0.24 -2.27 0.00 0.00 179.45 176.84 2cqx h VAL 26 N -0.23 0.24 -0.67 2.00 3.04 -1.37 0.79 116.25 120.06 2cqx h VAL 26 Ca -0.01 -0.08 0.14 0.00 -1.01 0.00 0.00 66.70 65.74 2cqx h VAL 26 Cb 0.10 -0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.28 2cqx h VAL 26 CO 0.02 0.04 0.12 0.15 -1.01 0.00 0.00 177.57 176.89 2cqx h PHE 27 N 0.23 0.17 -0.34 3.17 3.04 -0.59 0.36 116.94 122.98 2cqx h PHE 27 Ca 0.76 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.75 2cqx h PHE 27 Cb 1.98 0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.52 2cqx h PHE 27 CO -0.01 -0.09 0.00 1.55 -2.02 0.00 0.00 178.31 177.74 2cqx n VAL 28 N -5.18 0.68 -0.13 1.41 3.14 0.11 -0.25 118.33 118.11 2cqx n VAL 28 Ca 0.11 -0.84 -0.26 0.00 -2.96 0.00 0.00 64.34 60.39 2cqx n VAL 28 Cb 0.39 0.76 -0.10 0.00 -1.06 0.00 0.00 33.84 33.84 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 0.90 1.86 -0.08 6.55 2.88 0.23 -4.83 113.62 121.13 2cqx n SER 29 Ca 0.14 0.26 -0.14 0.00 -1.33 0.00 0.00 58.87 57.80 2cqx n SER 29 Cb 0.46 -0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 63.14 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 -4.04 0.90 -3.63 2.46 0.24 0.11 -5.00 118.33 109.37 2cqx n VAL 30 Ca -0.50 -0.29 -0.06 0.00 -2.04 0.00 0.00 64.34 61.45 2cqx n VAL 30 Cb 0.87 -1.37 -0.06 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.31 0.00 0.34 3.34 -1.32 -0.59 -5.03 115.64 110.08 2cqx s THR 31 Ca -0.22 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.38 2cqx s THR 31 Cb 0.07 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.12 2cqx s THR 31 CO 0.33 0.00 1.77 0.11 -2.21 0.00 0.00 174.62 174.62 2cqx h LYS 32 N 2.87 0.00 -2.82 7.08 1.79 -0.87 -3.29 116.57 121.32 2cqx h LYS 32 Ca -0.19 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.67 2cqx h LYS 32 Cb 1.18 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.43 2cqx h LYS 32 CO 0.21 0.43 -0.78 0.71 -1.08 0.00 0.00 179.45 178.95 2cqx s TYR 33 N -4.02 1.69 0.54 -1.35 1.51 -1.26 -4.87 117.35 109.59 2cqx s TYR 33 Ca -0.02 -2.30 -0.19 0.00 -1.01 0.00 0.00 57.07 53.54 2cqx s TYR 33 Cb 0.14 -1.60 -0.06 0.00 -0.11 0.00 0.00 41.96 40.33 2cqx s TYR 33 CO 0.73 -0.78 1.13 -1.25 -1.11 0.00 0.00 175.55 174.27 2cqx s PRO 34 N 0.34 3.35 0.47 -1.71 0.04 -1.26 -5.04 135.00 131.19 2cqx s PRO 34 Ca 0.20 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 2cqx s PRO 34 Cb -0.19 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2cqx s PRO 34 CO -0.04 -0.85 0.75 0.34 0.04 0.00 0.00 177.00 177.24 2cqx s ASP 35 N -1.78 6.10 0.45 6.66 2.15 -1.26 -4.91 116.67 124.08 2cqx s ASP 35 Ca 0.73 0.73 0.35 0.00 0.43 0.00 0.00 52.55 54.78 2cqx s ASP 35 Cb -0.24 -2.02 1.52 0.00 -0.30 0.00 0.00 42.92 41.88 2cqx s ASP 35 CO 0.27 -0.63 1.56 1.21 -0.17 0.00 0.00 175.17 177.41 2cqx n GLU 36 N -2.21 -0.03 -0.24 4.34 2.13 -1.26 -0.39 120.64 122.97 2cqx n GLU 36 Ca 0.00 1.24 -0.07 0.00 0.66 0.00 0.00 57.16 58.99 2cqx n GLU 36 Cb 0.56 -2.48 -0.02 0.00 0.27 0.00 0.00 31.44 29.77 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 -0.17 -0.34 5.31 6.56 -2.02 -0.44 116.57 125.48 2cqx h LYS 37 Ca 0.89 0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 60.43 2cqx h LYS 37 Cb 2.96 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 34.64 2cqx h LYS 37 CO -0.41 -0.11 -0.03 -0.09 -2.06 0.00 0.00 179.45 176.74 2cqx h ARG 38 N -0.17 0.63 -0.86 3.15 2.43 -1.08 -3.13 114.38 115.35 2cqx h ARG 38 Ca 0.21 -0.22 0.19 0.00 -0.81 0.00 0.00 59.98 59.35 2cqx h ARG 38 Cb 0.56 -0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 29.90 2cqx h ARG 38 CO -0.75 0.77 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.31 2cqx h LEU 39 N 0.43 -0.60 -0.99 3.80 -0.00 -0.98 0.41 115.31 117.37 2cqx h LEU 39 Ca 0.09 0.25 0.36 0.00 -0.00 0.00 0.00 57.88 58.58 2cqx h LEU 39 Cb 0.51 0.47 -0.17 0.00 -0.00 0.00 0.00 40.66 41.46 2cqx h LEU 39 CO 0.02 -0.27 0.43 0.11 -0.00 0.00 0.00 178.44 178.73 2cqx h LYS 40 N 0.03 0.07 0.13 1.13 1.57 -1.20 0.30 116.57 118.59 2cqx h LYS 40 Ca 0.45 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2cqx h LYS 40 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2cqx h LYS 40 CO -0.83 0.04 -0.06 0.78 -0.57 0.00 0.00 179.45 178.81 2cqx h GLY 41 N 0.07 -0.18 -0.79 3.86 0.00 -0.35 -3.29 103.07 102.39 2cqx h GLY 41 Ca 0.76 0.07 0.39 0.00 0.00 0.00 0.00 47.33 48.55 2cqx h GLY 41 CO -0.77 -0.06 0.90 1.41 0.00 0.00 0.00 176.54 178.02 2cqx h LEU 42 N -0.42 0.18 -1.00 3.11 3.38 -1.20 0.62 115.31 119.98 2cqx h LEU 42 Ca -0.02 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2cqx h LEU 42 Cb 0.13 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2cqx h LEU 42 CO 0.03 -0.03 0.64 -1.28 0.09 0.00 0.00 178.44 177.88 2cqx h SER 43 N 0.12 0.98 0.05 -0.43 0.87 -0.49 -0.61 113.55 114.04 2cqx h SER 43 Ca 0.71 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 61.15 2cqx h SER 43 Cb 2.42 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 64.20 2cqx h SER 43 CO -0.20 0.58 -0.72 0.11 -0.53 0.00 0.00 176.83 176.07 2cqx h LYS 44 N 1.09 0.11 -0.37 2.24 6.56 0.15 1.22 116.57 127.57 2cqx h LYS 44 Ca 0.46 -0.19 0.07 0.00 -1.06 0.00 0.00 60.65 59.93 2cqx h LYS 44 Cb 0.31 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 31.95 2cqx h LYS 44 CO -0.21 1.09 -0.33 0.37 -2.06 0.00 0.00 179.45 178.30 2cqx h GLN 45 N -0.72 -0.27 -0.71 3.15 4.15 -1.09 -0.37 115.11 119.25 2cqx h GLN 45 Ca -0.16 0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.10 2cqx h GLN 45 Cb 1.35 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 29.00 2cqx h GLN 45 CO 0.00 -0.18 0.21 1.28 -1.93 0.00 0.00 178.83 178.22 2cqx n LEU 46 N -5.42 6.04 -4.15 -2.39 4.77 -0.25 -4.93 117.00 110.67 2cqx n LEU 46 Ca 0.00 -3.17 -0.33 0.00 -0.03 0.00 0.00 56.01 52.49 2cqx n LEU 46 Cb 0.34 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 2cqx n LEU 46 CO 0.08 0.77 -0.28 -0.67 -1.33 0.00 0.00 177.39 175.96 2cqx n ASP 47 N 0.01 -0.43 -3.70 -1.43 2.03 -0.15 -4.90 116.55 107.98 2cqx n ASP 47 Ca 0.38 -1.12 -0.16 0.00 0.52 0.00 0.00 54.79 54.42 2cqx n ASP 47 Cb 1.35 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 -3.90 -0.95 -4.29 -0.67 7.02 0.41 -4.96 117.44 110.11 2cqx n TRP 48 Ca -0.09 -1.40 -0.30 0.00 -1.02 0.00 0.00 57.50 54.69 2cqx n TRP 48 Cb 0.50 -0.27 -0.10 0.00 -2.42 0.00 0.00 31.31 29.03 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 -2.94 4.47 0.59 -0.99 0.01 -1.26 -4.48 113.70 109.09 2cqx s SER 49 Ca 0.19 -0.32 0.29 0.00 1.31 0.00 0.00 55.95 57.41 2cqx s SER 49 Cb -0.01 -0.91 1.43 0.00 0.21 0.00 0.00 66.02 66.74 2cqx s SER 49 CO 0.12 0.20 1.83 1.62 0.41 0.00 0.00 173.24 177.42 2cqx h VAL 50 N 3.34 0.33 0.10 3.43 3.04 -1.94 0.23 116.25 124.77 2cqx h VAL 50 Ca -0.49 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 64.87 2cqx h VAL 50 Cb 1.17 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 2cqx h VAL 50 CO 0.53 0.00 -1.83 0.08 -1.01 0.00 0.00 177.57 175.34 2cqx h ARG 51 N 0.00 0.21 -0.51 4.17 0.11 -1.99 -3.27 114.38 113.09 2cqx h ARG 51 Ca 0.26 -0.35 -0.11 0.00 0.10 0.00 0.00 59.98 59.88 2cqx h ARG 51 Cb 1.42 0.13 -0.02 0.00 1.11 0.00 0.00 29.97 32.61 2cqx h ARG 51 CO -0.00 1.02 -0.11 -0.22 0.10 0.00 0.00 179.97 180.76 2cqx h LYS 52 N 0.06 0.98 -0.25 0.08 3.64 -1.08 -2.96 116.57 117.03 2cqx h LYS 52 Ca -0.35 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 58.65 2cqx h LYS 52 Cb 2.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 2cqx h LYS 52 CO 0.11 1.04 0.11 0.82 -2.27 0.00 0.00 179.45 179.26 2cqx h ILE 53 N 0.85 1.15 -0.45 2.00 2.04 -0.94 -3.01 117.51 119.15 2cqx h ILE 53 Ca 0.13 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.63 2cqx h ILE 53 Cb 0.67 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.66 2cqx h ILE 53 CO 0.05 0.16 -0.04 1.56 0.00 0.00 0.00 178.15 179.87 2cqx h GLN 54 N 0.27 0.06 -0.18 2.37 4.20 -1.59 0.25 115.11 120.49 2cqx h GLN 54 Ca 0.09 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2cqx h GLN 54 Cb 0.14 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2cqx h GLN 54 CO -0.01 0.04 0.43 0.00 -0.67 0.00 0.00 178.83 178.62 2cqx h TRP 56 N 0.00 0.62 -0.26 0.00 7.01 -0.50 -3.13 115.95 119.69 2cqx h TRP 56 Ca 0.09 -0.45 -0.05 0.00 2.11 0.00 0.00 58.89 60.59 2cqx h TRP 56 Cb 0.95 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 2cqx h TRP 56 CO 0.00 1.34 -0.03 0.74 -2.79 0.00 0.00 178.44 177.70 2cqx h PHE 57 N -0.28 0.52 -0.47 2.65 0.04 -0.57 -2.27 116.94 116.57 2cqx h PHE 57 Ca -0.16 -0.10 0.07 0.00 2.80 0.00 0.00 57.97 60.58 2cqx h PHE 57 Cb 1.71 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 39.67 2cqx h PHE 57 CO 0.19 0.67 0.11 0.07 -0.60 0.00 0.00 178.31 178.74 2cqx h ARG 58 N 0.23 0.24 -0.31 1.51 0.11 -1.31 -2.20 114.38 112.66 2cqx h ARG 58 Ca 0.07 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 2cqx h ARG 58 Cb 0.48 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2cqx h ARG 58 CO 0.02 0.16 0.17 1.25 0.10 0.00 0.00 179.97 181.67 2cqx h HIS 59 N 0.25 0.43 -0.45 4.08 2.76 -1.49 -3.20 115.15 117.53 2cqx h HIS 59 Ca 0.23 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 2cqx h HIS 59 Cb 0.29 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.05 2cqx h HIS 59 CO -0.21 0.36 -0.33 -0.09 -1.30 0.00 0.00 177.93 176.37 2cqx h ARG 60 N 0.38 -0.07 -0.78 5.26 9.65 -0.78 0.47 114.38 128.51 2cqx h ARG 60 Ca 0.11 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.11 2cqx h ARG 60 Cb 0.08 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 28.55 2cqx h ARG 60 CO -0.02 -0.05 -0.31 0.54 2.80 0.00 0.00 179.97 182.94 2cqx n ARG 61 N -4.25 -0.19 0.16 0.20 1.74 -1.13 0.28 116.66 113.48 2cqx n ARG 61 Ca 0.00 1.20 -0.14 0.00 -0.77 0.00 0.00 57.85 58.14 2cqx n ARG 61 Cb 0.16 -1.78 -0.08 0.00 -1.02 0.00 0.00 32.46 29.75 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 -0.29 -0.86 0.55 4.21 -1.13 -2.13 115.58 115.93 2cqx h ASN 62 Ca 0.27 -0.03 0.20 0.00 1.21 0.00 0.00 56.30 57.95 2cqx h ASN 62 Cb 0.46 0.08 -0.12 0.00 -1.12 0.00 0.00 38.32 37.62 2cqx h ASN 62 CO -0.77 -0.16 0.34 -0.61 -1.29 0.00 0.00 177.43 174.93 2cqx h GLN 63 N -0.40 0.36 0.00 0.81 5.75 0.18 0.72 115.11 122.54 2cqx h GLN 63 Ca -0.04 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2cqx h GLN 63 Cb 0.31 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.78 2cqx h GLN 63 CO 0.06 0.24 -0.00 0.22 -2.65 0.00 0.00 178.83 176.70 2cqx h ASP 64 N 0.37 -0.00 -2.98 -0.69 1.82 -0.51 -3.36 116.42 111.06 2cqx h ASP 64 Ca 0.52 -0.14 -0.61 0.00 -0.39 0.00 0.00 57.03 56.41 2cqx h ASP 64 Cb 0.96 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.56 2cqx h ASP 64 CO -0.52 0.14 -0.70 -1.59 -1.61 0.00 0.00 179.24 174.96 2cqx s LYS 65 N -5.63 1.91 0.19 0.28 -2.85 -0.25 -4.94 119.74 108.45 2cqx s LYS 65 Ca -0.14 -2.86 -0.05 0.00 -1.00 0.00 0.00 55.97 51.92 2cqx s LYS 65 Cb 0.05 -2.77 0.12 0.00 -2.06 0.00 0.00 37.83 33.17 2cqx s LYS 65 CO 0.66 -1.30 1.54 -1.00 0.10 0.00 0.00 175.35 175.36 2cqx h PRO 66 N 5.62 0.69 -6.37 1.78 0.13 -1.10 -3.43 132.00 129.32 2cqx h PRO 66 Ca 0.16 -0.36 -0.48 0.00 -0.87 0.00 0.00 66.00 64.45 2cqx h PRO 66 Cb 0.82 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 31.72 2cqx h PRO 66 CO 0.60 0.97 -0.71 -1.13 -0.23 0.00 0.00 178.00 177.50 2cqx n SER 67 N -4.03 -0.45 -3.11 1.44 3.41 -1.26 -4.83 113.62 104.79 2cqx n SER 67 Ca -0.02 -0.96 -0.10 0.00 -0.26 0.00 0.00 58.87 57.53 2cqx n SER 67 Cb 0.54 -1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 2cqx n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqx s GLY 68 N -3.31 -0.56 -0.77 5.00 0.00 -1.26 -5.09 107.32 101.32 2cqx s GLY 68 Ca 0.35 -0.75 -0.25 0.00 0.00 0.00 0.00 44.72 44.07 2cqx s GLY 68 CO 0.77 3.19 1.91 2.56 0.00 0.00 0.00 173.10 181.53 2cqx s PRO 69 N 1.08 2.59 -0.42 2.90 0.04 -1.26 -4.94 135.00 134.98 2cqx s PRO 69 Ca 0.24 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 2cqx s PRO 69 Cb -0.04 -4.77 0.06 0.00 0.04 0.00 0.00 34.50 29.80 2cqx s PRO 69 CO -0.07 -3.09 0.29 0.45 0.04 0.00 0.00 177.00 174.61 2cqx s SER 70 N 8.05 5.81 -0.10 6.66 0.15 -1.26 -5.05 113.70 127.96 2cqx s SER 70 Ca 0.69 -1.33 -0.29 0.00 0.70 0.00 0.00 55.95 55.71 2cqx s SER 70 Cb -0.09 -2.05 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 2cqx s SER 70 CO 0.09 -0.54 1.64 -0.94 1.20 0.00 0.00 173.24 174.69 2cqx s SER 71 N 2.13 6.58 0.00 5.45 1.04 -1.26 -5.30 113.70 122.33 2cqx s SER 71 Ca 0.03 2.05 0.14 0.00 0.48 0.00 0.00 55.95 58.65 2cqx s SER 71 Cb -0.22 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.47 2cqx s SER 71 CO 0.05 -1.03 0.93 0.61 0.98 0.00 0.00 173.24 174.78