#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rew s SER 13 N 0.00 5.67 -0.26 4.04 0.01 -1.26 -0.94 113.70 120.95 1rew s SER 13 Ca 0.00 1.58 -0.41 0.00 1.31 0.00 0.00 55.95 58.42 1rew s SER 13 Cb 0.00 -2.49 -0.17 0.00 0.21 0.00 0.00 66.02 63.57 1rew s SER 13 CO 0.00 -1.25 1.62 0.00 0.41 0.00 0.00 173.24 174.02 1rew s LYS 15 N 2.82 1.88 0.21 0.00 -2.85 -0.73 -4.93 119.74 116.14 1rew s LYS 15 Ca 0.98 -1.26 -0.21 0.00 -1.00 0.00 0.00 55.97 54.48 1rew s LYS 15 Cb -1.16 0.57 -0.08 0.00 -2.06 0.00 0.00 37.83 35.10 1rew s LYS 15 CO 0.66 -0.85 0.73 0.50 0.10 0.00 0.00 175.35 176.50 1rew s ARG 16 N -3.38 4.32 0.12 1.78 3.52 -1.26 -1.70 118.95 122.36 1rew s ARG 16 Ca 0.17 0.93 0.08 0.00 -0.13 0.00 0.00 55.73 56.78 1rew s ARG 16 Cb -0.04 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 1rew s ARG 16 CO 0.10 0.44 -0.19 -1.01 -0.81 0.00 0.00 175.30 173.83 1rew s HIS 17 N -1.43 1.73 0.38 5.12 3.76 0.72 -4.95 115.29 120.63 1rew s HIS 17 Ca 0.41 -0.45 -0.27 0.00 -0.15 0.00 0.00 55.06 54.61 1rew s HIS 17 Cb -0.18 -0.92 -0.09 0.00 1.11 0.00 0.00 32.58 32.50 1rew s HIS 17 CO 0.22 0.23 1.25 -1.25 -0.85 0.00 0.00 174.74 174.35 1rew s PRO 18 N -2.25 4.11 -0.29 8.40 0.04 -1.26 -1.67 135.00 142.08 1rew s PRO 18 Ca 0.09 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1rew s PRO 18 Cb -0.08 -2.83 0.16 0.00 0.04 0.00 0.00 34.50 31.80 1rew s PRO 18 CO 0.05 -0.34 0.58 -1.17 0.04 0.00 0.00 177.00 176.16 1rew s LEU 19 N -2.26 -1.21 -0.25 -3.56 2.96 -1.26 -4.67 118.68 108.44 1rew s LEU 19 Ca 0.55 1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 55.34 1rew s LEU 19 Cb -0.36 2.05 -0.05 0.00 0.50 0.00 0.00 46.19 48.33 1rew s LEU 19 CO 0.46 -0.25 0.20 -0.47 -1.32 0.00 0.00 176.35 174.97 1rew s TYR 20 N 2.82 3.30 -0.45 5.38 5.04 -1.26 -0.41 117.35 131.77 1rew s TYR 20 Ca 0.12 0.24 -0.18 0.00 -2.44 0.00 0.00 57.07 54.81 1rew s TYR 20 Cb -0.14 -2.33 0.03 0.00 0.35 0.00 0.00 41.96 39.87 1rew s TYR 20 CO -0.19 -0.01 0.52 0.08 -1.34 0.00 0.00 175.55 174.61 1rew s VAL 21 N 1.29 4.99 -0.26 3.14 1.01 0.43 -4.95 120.40 126.05 1rew s VAL 21 Ca 0.09 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1rew s VAL 21 Cb -0.14 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1rew s VAL 21 CO 0.06 -0.56 0.30 -0.62 0.00 0.00 0.00 175.10 174.29 1rew s ASP 22 N 2.10 6.20 0.35 3.32 -1.08 -1.26 -1.46 116.67 124.84 1rew s ASP 22 Ca 0.14 0.23 0.10 0.00 -0.52 0.00 0.00 52.55 52.50 1rew s ASP 22 Cb -0.17 -2.18 0.65 0.00 -1.46 0.00 0.00 42.92 39.76 1rew s ASP 22 CO 0.14 -0.10 1.81 -0.26 0.52 0.00 0.00 175.17 177.27 1rew h PHE 23 N 8.01 0.15 -0.41 -5.34 0.04 -1.48 -2.35 116.94 115.56 1rew h PHE 23 Ca -0.34 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.30 1rew h PHE 23 Cb 1.17 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 1rew h PHE 23 CO 0.73 0.45 -0.15 0.66 -0.60 0.00 0.00 178.31 179.41 1rew h SER 24 N 0.12 0.84 -0.83 2.17 4.64 -1.92 0.32 113.55 118.89 1rew h SER 24 Ca 0.02 -0.38 0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1rew h SER 24 Cb 0.64 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 1rew h SER 24 CO 0.05 1.03 0.52 0.44 -0.87 0.00 0.00 176.83 178.00 1rew h ASP 25 N 0.64 0.85 0.08 4.97 3.32 -1.81 -1.88 116.42 122.58 1rew h ASP 25 Ca 0.10 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1rew h ASP 25 Cb 0.69 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1rew h ASP 25 CO 0.05 0.56 -0.06 1.33 -1.72 0.00 0.00 179.24 179.41 1rew n VAL 26 N -4.60 0.00 -1.53 -1.35 0.24 -0.98 -4.94 118.33 105.17 1rew n VAL 26 Ca 0.11 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1rew n VAL 26 Cb 0.13 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1rew n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rew n GLY 27 N 1.19 0.54 1.01 7.63 0.00 -0.40 -4.96 105.19 110.19 1rew n GLY 27 Ca 0.18 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.46 1rew n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rew n TRP 28 N -3.44 0.60 0.72 1.61 8.01 0.10 -4.58 117.44 120.46 1rew n TRP 28 Ca 0.00 -0.38 0.10 0.00 -1.31 0.00 0.00 57.50 55.90 1rew n TRP 28 Cb 0.33 -0.01 0.44 0.00 -2.01 0.00 0.00 31.31 30.05 1rew n TRP 28 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 1rew n ASN 29 N 1.18 0.00 0.16 -0.99 6.94 -1.18 -1.21 115.26 120.15 1rew n ASN 29 Ca 0.18 0.43 0.06 0.00 -0.02 0.00 0.00 54.58 55.23 1rew n ASN 29 Cb 0.53 -0.47 0.07 0.00 -2.36 0.00 0.00 39.78 37.55 1rew n ASN 29 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1rew h ASP 30 N 0.00 0.00 0.00 0.53 2.03 -1.92 -3.39 116.42 113.67 1rew h ASP 30 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1rew h ASP 30 Cb 0.32 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1rew h ASP 30 CO 0.00 0.29 -1.10 -2.67 -1.03 0.00 0.00 179.24 174.73 1rew n TRP 31 N -3.11 0.00 -3.22 4.15 4.27 -0.90 -4.85 117.44 113.78 1rew n TRP 31 Ca 0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.20 1rew n TRP 31 Cb 0.65 -0.06 -0.08 0.00 -1.36 0.00 0.00 31.31 30.46 1rew n TRP 31 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1rew s ILE 32 N -2.07 4.97 -0.19 -1.67 1.01 -0.35 0.20 121.20 123.10 1rew s ILE 32 Ca -0.01 0.10 0.18 0.00 0.00 0.00 0.00 60.65 60.92 1rew s ILE 32 Cb 0.01 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.43 1rew s ILE 32 CO 0.07 -0.39 1.17 -0.37 0.00 0.00 0.00 174.94 175.42 1rew h VAL 33 N 5.73 0.49 -1.84 2.92 -1.51 -0.94 -3.42 116.25 117.68 1rew h VAL 33 Ca -0.27 -1.79 -0.01 0.00 -1.23 0.00 0.00 66.70 63.41 1rew h VAL 33 Cb 1.11 2.07 -0.21 0.00 -2.13 0.00 0.00 31.29 32.13 1rew h VAL 33 CO 0.82 0.28 0.30 0.00 -1.23 0.00 0.00 177.57 177.73 1rew s ALA 34 N -3.04 -1.84 0.99 5.19 0.00 -1.10 -4.72 121.76 117.24 1rew s ALA 34 Ca 0.01 1.61 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 1rew s ALA 34 Cb 0.08 -0.61 0.20 0.00 0.00 0.00 0.00 23.12 22.79 1rew s ALA 34 CO 0.77 -0.33 1.25 -1.25 0.00 0.00 0.00 175.76 176.19 1rew s PRO 35 N -0.65 0.43 0.55 0.00 0.04 -1.26 -0.51 135.00 133.59 1rew s PRO 35 Ca -0.05 -0.22 0.35 0.00 0.04 0.00 0.00 61.00 61.13 1rew s PRO 35 Cb -0.02 -1.80 1.59 0.00 0.04 0.00 0.00 34.50 34.31 1rew s PRO 35 CO 0.04 -2.59 2.05 -1.35 0.04 0.00 0.00 177.00 175.19 1rew h PRO 36 N -1.77 0.00 0.00 0.56 0.11 -1.93 -3.47 132.00 125.50 1rew h PRO 36 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1rew h PRO 36 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1rew h PRO 36 CO 0.42 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 1rew n GLY 37 N -0.29 -1.46 3.44 -0.55 0.00 -1.26 -1.14 105.19 103.94 1rew n GLY 37 Ca -0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1rew n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rew s TYR 38 N -2.08 -0.50 -0.45 1.61 1.13 -0.54 -4.99 117.35 111.53 1rew s TYR 38 Ca 0.00 0.31 -0.26 0.00 -1.41 0.00 0.00 57.07 55.71 1rew s TYR 38 Cb 0.00 0.55 0.03 0.00 -1.10 0.00 0.00 41.96 41.44 1rew s TYR 38 CO 0.00 -0.78 0.94 -1.01 -2.51 0.00 0.00 175.55 172.18 1rew s HIS 39 N -3.60 2.94 -0.16 -3.49 3.76 -1.26 -0.43 115.29 113.05 1rew s HIS 39 Ca 0.02 0.46 0.06 0.00 -0.15 0.00 0.00 55.06 55.44 1rew s HIS 39 Cb -0.01 -3.95 -0.23 0.00 1.11 0.00 0.00 32.58 29.50 1rew s HIS 39 CO -0.12 -1.07 0.21 0.00 -0.85 0.00 0.00 174.74 172.91 1rew n ALA 40 N 7.15 1.31 -1.01 -1.40 0.00 0.46 -4.79 120.51 122.23 1rew n ALA 40 Ca 0.07 -0.94 0.13 0.00 0.00 0.00 0.00 53.44 52.70 1rew n ALA 40 Cb 0.48 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 1rew n ALA 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1rew n PHE 41 N -3.16 -2.60 -3.84 0.00 3.01 -0.61 -1.40 117.46 108.87 1rew n PHE 41 Ca -0.32 1.35 -0.09 0.00 1.01 0.00 0.00 57.45 59.39 1rew n PHE 41 Cb 1.06 -2.36 -0.05 0.00 -0.01 0.00 0.00 39.48 38.12 1rew n PHE 41 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 1rew s TYR 42 N -2.69 0.07 -0.09 1.38 -0.85 -0.67 -4.69 117.35 109.80 1rew s TYR 42 Ca 0.00 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 1rew s TYR 42 Cb 0.00 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.59 1rew s TYR 42 CO 0.00 -0.91 -0.04 0.00 -1.52 0.00 0.00 175.55 173.08 1rew s HIS 44 N -0.65 -0.66 0.00 0.00 5.04 -0.69 -4.79 115.29 113.54 1rew s HIS 44 Ca 0.10 1.34 0.00 0.00 -1.54 0.00 0.00 55.06 54.96 1rew s HIS 44 Cb -0.12 0.37 0.00 0.00 0.04 0.00 0.00 32.58 32.87 1rew s HIS 44 CO 0.02 -0.49 0.00 0.41 -2.34 0.00 0.00 174.74 172.34 1rew n GLY 45 N 1.55 2.83 3.78 1.59 0.00 -1.26 -1.77 105.19 111.91 1rew n GLY 45 Ca -0.16 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1rew n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rew s GLU 46 N -1.83 3.53 -0.70 1.61 2.12 -0.12 -3.85 118.70 119.45 1rew s GLU 46 Ca 0.00 1.60 -0.03 0.00 0.36 0.00 0.00 54.97 56.90 1rew s GLU 46 Cb 0.00 -2.12 0.18 0.00 0.26 0.00 0.00 34.13 32.45 1rew s GLU 46 CO 0.00 -0.70 0.54 0.00 -0.54 0.00 0.00 175.26 174.56 1rew s PRO 48 N -0.36 2.14 -0.13 0.00 0.04 -1.26 -4.70 135.00 130.73 1rew s PRO 48 Ca 0.19 -0.21 -0.13 0.00 0.04 0.00 0.00 61.00 60.90 1rew s PRO 48 Cb -0.16 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1rew s PRO 48 CO -0.06 -1.31 0.28 0.12 0.04 0.00 0.00 177.00 176.07 1rew s PHE 49 N -3.31 3.52 0.56 0.56 2.19 -1.26 -3.18 117.98 117.06 1rew s PHE 49 Ca 0.61 0.64 -0.06 0.00 0.33 0.00 0.00 56.93 58.45 1rew s PHE 49 Cb -0.11 -2.27 -0.01 0.00 -1.31 0.00 0.00 43.02 39.33 1rew s PHE 49 CO 0.45 0.37 0.88 -1.25 1.83 0.00 0.00 175.22 177.50 1rew s PRO 50 N 0.01 3.11 -0.34 10.12 0.04 -1.26 -5.10 135.00 141.59 1rew s PRO 50 Ca 0.17 0.08 -0.27 0.00 0.04 0.00 0.00 61.00 61.02 1rew s PRO 50 Cb -0.13 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1rew s PRO 50 CO 0.05 -0.57 0.98 -0.51 0.04 0.00 0.00 177.00 177.00 1rew s LEU 51 N -4.94 3.97 0.76 -3.56 1.43 -1.19 -5.03 118.68 110.12 1rew s LEU 51 Ca 0.52 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 1rew s LEU 51 Cb -0.10 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 42.79 1rew s LEU 51 CO 0.45 -0.84 1.10 0.00 0.23 0.00 0.00 176.35 177.30 1rew s ALA 52 N 3.51 2.58 0.18 4.21 0.00 -1.26 -4.93 121.76 126.05 1rew s ALA 52 Ca 0.41 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 1rew s ALA 52 Cb -0.12 -3.05 0.16 0.00 0.00 0.00 0.00 23.12 20.10 1rew s ALA 52 CO 0.16 -1.46 1.65 0.22 0.00 0.00 0.00 175.76 176.34 1rew h ASP 53 N -0.89 -0.45 0.10 0.00 1.82 -2.03 -0.50 116.42 114.47 1rew h ASP 53 Ca -0.46 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1rew h ASP 53 Cb 1.27 0.31 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1rew h ASP 53 CO 0.62 -0.16 0.00 0.00 -1.61 0.00 0.00 179.24 178.09 1rew n HIS 54 N -5.35 0.00 1.46 0.28 1.44 -1.26 -1.63 115.22 110.15 1rew n HIS 54 Ca 0.05 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.90 1rew n HIS 54 Cb 0.27 -0.45 0.61 0.00 0.12 0.00 0.00 29.99 30.54 1rew n HIS 54 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1rew n LEU 55 N -1.45 0.58 -4.08 2.39 4.77 -0.20 -4.84 117.00 114.18 1rew n LEU 55 Ca 0.01 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 1rew n LEU 55 Cb 0.04 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1rew n LEU 55 CO 0.03 0.10 0.00 0.59 -1.33 0.00 0.00 177.39 176.79 1rew n ASN 56 N -0.82 -3.52 -4.83 -1.43 5.03 -0.64 -2.00 115.26 107.05 1rew n ASN 56 Ca 0.16 -0.92 -0.32 0.00 0.87 0.00 0.00 54.58 54.36 1rew n ASN 56 Cb 0.28 -3.22 -0.00 0.00 -1.02 0.00 0.00 39.78 35.81 1rew n ASN 56 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1rew s SER 57 N -3.43 6.16 0.58 6.41 0.01 -1.26 -4.66 113.70 117.50 1rew s SER 57 Ca 0.63 1.64 -0.08 0.00 1.31 0.00 0.00 55.95 59.44 1rew s SER 57 Cb -0.33 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.36 1rew s SER 57 CO 0.89 -0.91 0.94 0.42 0.41 0.00 0.00 173.24 174.98 1rew s THR 58 N -2.69 4.55 0.28 1.44 -4.23 -1.25 -4.95 115.64 108.79 1rew s THR 58 Ca 0.60 0.51 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 1rew s THR 58 Cb -0.13 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.19 1rew s THR 58 CO 0.39 -0.92 1.72 0.78 -0.54 0.00 0.00 174.62 176.04 1rew h ASN 59 N -0.15 0.38 -0.73 3.99 2.35 -1.97 -1.61 115.58 117.84 1rew h ASN 59 Ca -0.45 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.38 1rew h ASN 59 Cb 1.21 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.64 1rew h ASN 59 CO 0.62 0.08 0.27 -0.74 -1.65 0.00 0.00 177.43 176.01 1rew h HIS 60 N 0.48 1.14 -0.44 1.19 2.76 -1.99 0.08 115.15 118.37 1rew h HIS 60 Ca 0.51 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.52 1rew h HIS 60 Cb 0.88 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1rew h HIS 60 CO -0.13 0.89 -0.02 0.00 -1.30 0.00 0.00 177.93 177.37 1rew h ALA 61 N 1.13 1.16 -0.14 5.26 0.00 -1.73 0.24 119.26 125.17 1rew h ALA 61 Ca 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rew h ALA 61 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rew h ALA 61 CO -0.02 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.61 1rew h ILE 62 N 0.67 1.24 -0.46 0.00 2.04 -0.59 -0.49 117.51 119.92 1rew h ILE 62 Ca 0.13 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1rew h ILE 62 Cb 0.44 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1rew h ILE 62 CO 0.02 0.23 0.24 0.58 0.00 0.00 0.00 178.15 179.22 1rew h VAL 63 N 0.01 1.17 -0.75 1.67 2.07 -0.75 -1.64 116.25 118.02 1rew h VAL 63 Ca 0.04 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1rew h VAL 63 Cb 0.33 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1rew h VAL 63 CO 0.00 0.18 0.42 -0.61 0.02 0.00 0.00 177.57 177.59 1rew h GLN 64 N 0.60 1.03 -0.60 1.57 4.15 -0.43 0.86 115.11 122.29 1rew h GLN 64 Ca 0.16 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1rew h GLN 64 Cb 0.07 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1rew h GLN 64 CO -0.02 0.74 0.39 1.15 -1.93 0.00 0.00 178.83 179.15 1rew h THR 65 N 1.04 1.16 -0.62 2.39 2.02 -0.74 -0.44 112.91 117.72 1rew h THR 65 Ca 0.27 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1rew h THR 65 Cb 0.00 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1rew h THR 65 CO -0.05 0.16 0.07 -0.07 0.37 0.00 0.00 175.52 176.00 1rew h LEU 66 N 0.81 1.01 -0.58 2.58 3.38 -0.48 -2.39 115.31 119.64 1rew h LEU 66 Ca 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1rew h LEU 66 Cb -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1rew h LEU 66 CO -0.05 1.03 0.21 0.58 0.09 0.00 0.00 178.44 180.31 1rew h VAL 67 N 0.95 1.23 -0.77 1.22 2.07 -0.42 -2.38 116.25 118.15 1rew h VAL 67 Ca 0.18 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1rew h VAL 67 Cb 0.48 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1rew h VAL 67 CO 0.02 0.29 0.51 -1.13 0.02 0.00 0.00 177.57 177.28 1rew h ASN 68 N 0.81 0.88 0.10 0.57 -1.24 -0.98 0.38 115.58 116.10 1rew h ASN 68 Ca 0.19 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1rew h ASN 68 Cb 0.24 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 1rew h ASN 68 CO -0.01 0.64 -0.08 0.77 -1.29 0.00 0.00 177.43 177.46 1rew h SER 69 N 1.04 0.00 0.13 1.15 4.64 -0.92 -3.12 113.55 116.48 1rew h SER 69 Ca 0.28 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.28 1rew h SER 69 Cb -0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1rew h SER 69 CO -0.06 0.08 -1.71 0.58 -0.87 0.00 0.00 176.83 174.85 1rew h VAL 70 N 0.00 0.85 -3.06 0.95 2.07 -0.86 -3.45 116.25 112.75 1rew h VAL 70 Ca -0.00 -2.39 -0.56 0.00 0.82 0.00 0.00 66.70 64.57 1rew h VAL 70 Cb 0.15 2.62 -0.40 0.00 -1.52 0.00 0.00 31.29 32.14 1rew h VAL 70 CO 0.01 0.79 -0.76 0.21 0.02 0.00 0.00 177.57 177.84 1rew s ASN 71 N -7.10 3.70 0.00 0.57 2.47 0.12 -5.01 114.94 109.69 1rew s ASN 71 Ca -0.20 -1.40 0.19 0.00 0.42 0.00 0.00 52.86 51.87 1rew s ASN 71 Cb 0.06 -0.66 1.01 0.00 -1.45 0.00 0.00 41.25 40.21 1rew s ASN 71 CO 0.78 -0.41 1.58 -1.54 -3.72 0.00 0.00 177.10 173.80 1rew n SER 72 N 5.01 0.00 0.22 -4.21 3.41 -1.18 -2.05 113.62 114.82 1rew n SER 72 Ca -0.04 -0.14 0.16 0.00 -0.26 0.00 0.00 58.87 58.59 1rew n SER 72 Cb 0.43 -0.22 0.67 0.00 -0.26 0.00 0.00 64.21 64.83 1rew n SER 72 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1rew h LYS 73 N 0.00 0.00 -5.45 4.33 1.57 -1.93 -3.41 116.57 111.69 1rew h LYS 73 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1rew h LYS 73 Cb 0.14 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.33 1rew h LYS 73 CO 0.00 0.00 -0.11 0.42 -0.57 0.00 0.00 179.45 179.19 1rew s ILE 74 N -3.59 5.14 0.87 1.86 -1.09 -0.87 -5.06 121.20 118.47 1rew s ILE 74 Ca 0.01 0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 59.15 1rew s ILE 74 Cb 0.09 -3.79 0.12 0.00 -1.58 0.00 0.00 42.46 37.30 1rew s ILE 74 CO 0.44 0.19 1.10 -2.16 -1.23 0.00 0.00 174.94 173.29 1rew s PRO 75 N 1.64 1.42 0.81 2.79 0.04 -1.26 -4.40 135.00 136.04 1rew s PRO 75 Ca 0.21 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 1rew s PRO 75 Cb -0.15 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1rew s PRO 75 CO 0.09 -2.22 1.09 0.15 0.04 0.00 0.00 177.00 176.15 1rew s LYS 76 N -4.81 2.01 0.88 4.56 1.02 -1.26 -4.73 119.74 117.40 1rew s LYS 76 Ca 0.64 0.76 -0.11 0.00 0.02 0.00 0.00 55.97 57.28 1rew s LYS 76 Cb -0.19 -1.90 0.12 0.00 -0.52 0.00 0.00 37.83 35.34 1rew s LYS 76 CO 0.57 -1.71 1.10 0.00 -0.92 0.00 0.00 175.35 174.40 1rew s ALA 77 N -3.07 1.59 0.03 5.17 0.00 -1.26 -5.03 121.76 119.19 1rew s ALA 77 Ca 0.61 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.81 1rew s ALA 77 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1rew s ALA 77 CO 0.55 -2.37 -0.18 0.00 0.00 0.00 0.00 175.76 173.76 1rew s VAL 80 N 3.32 0.05 0.22 0.00 -7.23 0.29 -4.52 120.40 112.52 1rew s VAL 80 Ca 0.40 -1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 58.46 1rew s VAL 80 Cb -0.13 -2.17 -0.10 0.00 0.56 0.00 0.00 36.38 34.53 1rew s VAL 80 CO 0.13 -0.24 1.55 -2.84 -0.31 0.00 0.00 175.10 173.39 1rew s PRO 81 N -4.07 4.21 0.00 4.82 0.02 -1.26 -0.67 135.00 138.05 1rew s PRO 81 Ca 0.28 2.40 0.06 0.00 0.02 0.00 0.00 61.00 63.76 1rew s PRO 81 Cb 0.06 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 1rew s PRO 81 CO 0.05 -0.57 0.36 0.25 -0.33 0.00 0.00 177.00 176.77 1rew n THR 82 N 3.12 0.00 -3.77 0.99 -2.24 0.13 -4.81 114.28 107.71 1rew n THR 82 Ca 0.11 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1rew n THR 82 Cb 0.39 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 1rew n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1rew s GLU 83 N -1.39 0.19 0.11 -0.78 2.12 -1.14 -4.95 118.70 112.87 1rew s GLU 83 Ca 0.04 0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.80 1rew s GLU 83 Cb 0.05 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1rew s GLU 83 CO 0.22 -0.10 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.20 1rew s LEU 84 N 0.69 2.38 0.31 2.70 1.43 -1.26 -0.84 118.68 124.09 1rew s LEU 84 Ca -0.05 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 1rew s LEU 84 Cb -0.06 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.57 1rew s LEU 84 CO -0.04 -0.14 0.02 -0.94 0.23 0.00 0.00 176.35 175.48 1rew s SER 85 N -2.31 2.45 0.24 2.29 1.04 0.04 -4.76 113.70 112.69 1rew s SER 85 Ca 0.07 -1.32 0.05 0.00 0.48 0.00 0.00 55.95 55.23 1rew s SER 85 Cb -0.06 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 1rew s SER 85 CO 0.03 -0.53 0.34 0.00 0.98 0.00 0.00 173.24 174.05 1rew s ALA 86 N -3.23 3.90 0.11 5.32 0.00 -1.26 -0.94 121.76 125.66 1rew s ALA 86 Ca 0.34 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1rew s ALA 86 Cb 0.07 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1rew s ALA 86 CO 0.14 0.26 -0.14 0.96 0.00 0.00 0.00 175.76 176.98 1rew s ILE 87 N -1.98 1.26 0.10 0.00 -4.36 -0.45 -4.90 121.20 110.87 1rew s ILE 87 Ca 0.34 -1.61 -0.11 0.00 -0.26 0.00 0.00 60.65 59.01 1rew s ILE 87 Cb -0.09 -1.41 -0.06 0.00 1.25 0.00 0.00 42.46 42.15 1rew s ILE 87 CO 0.29 -0.37 0.43 -0.44 0.24 0.00 0.00 174.94 175.09 1rew s SER 88 N -2.27 6.68 0.02 4.36 0.01 -1.26 -0.20 113.70 121.04 1rew s SER 88 Ca 0.06 0.85 -0.00 0.00 1.31 0.00 0.00 55.95 58.17 1rew s SER 88 Cb -0.06 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1rew s SER 88 CO 0.03 0.15 -0.02 -0.04 0.41 0.00 0.00 173.24 173.77 1rew s MET 89 N -1.95 0.35 -0.23 12.44 1.00 -0.41 -4.53 119.30 125.97 1rew s MET 89 Ca 0.34 -0.65 -0.08 0.00 0.00 0.00 0.00 55.69 55.30 1rew s MET 89 Cb -0.14 0.12 -0.04 0.00 0.00 0.00 0.00 34.83 34.77 1rew s MET 89 CO 0.18 -0.06 0.09 -1.17 0.00 0.00 0.00 175.02 174.07 1rew s LEU 90 N -1.59 3.73 0.18 -0.03 2.96 0.33 -1.48 118.68 122.79 1rew s LEU 90 Ca -0.14 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1rew s LEU 90 Cb -0.08 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1rew s LEU 90 CO -0.02 0.05 -0.12 -0.72 -1.32 0.00 0.00 176.35 174.23 1rew s TYR 91 N 1.09 1.51 -0.28 5.38 1.13 -0.53 -0.31 117.35 125.34 1rew s TYR 91 Ca 0.05 -0.67 -0.19 0.00 -1.41 0.00 0.00 57.07 54.84 1rew s TYR 91 Cb -0.14 -0.74 -0.02 0.00 -1.10 0.00 0.00 41.96 39.96 1rew s TYR 91 CO 0.04 0.22 0.58 -1.17 -2.51 0.00 0.00 175.55 172.71 1rew s LEU 92 N -3.25 4.11 0.61 -3.49 1.98 0.13 -1.64 118.68 117.12 1rew s LEU 92 Ca 0.20 0.50 -0.04 0.00 -2.89 0.00 0.00 54.13 51.90 1rew s LEU 92 Cb 0.01 -2.76 0.03 0.00 0.66 0.00 0.00 46.19 44.14 1rew s LEU 92 CO 0.04 -0.39 0.89 1.51 -1.89 0.00 0.00 176.35 176.52 1rew s ASP 93 N 1.58 5.23 0.00 3.68 -4.77 -0.10 -4.87 116.67 117.42 1rew s ASP 93 Ca 0.24 0.39 0.00 0.00 -3.30 0.00 0.00 52.55 49.87 1rew s ASP 93 Cb -0.15 -1.24 0.00 0.00 -1.09 0.00 0.00 42.92 40.43 1rew s ASP 93 CO 0.10 -1.26 0.00 -1.84 0.70 0.00 0.00 175.17 172.87 1rew n GLU 94 N -2.60 0.00 0.00 2.11 0.28 -1.26 -0.69 120.64 118.48 1rew n GLU 94 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1rew n GLU 94 Cb 0.59 -0.89 0.00 0.00 1.43 0.00 0.00 31.44 32.57 1rew n GLU 94 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1rew n ASN 95 N 0.46 0.00 0.00 -1.84 3.02 -1.26 -5.00 115.26 110.64 1rew n ASN 95 Ca 0.00 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1rew n ASN 95 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1rew n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rew n GLU 96 N 0.00 0.00 -2.80 3.52 1.02 0.14 -5.04 120.64 117.48 1rew n GLU 96 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1rew n GLU 96 Cb 0.22 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 1rew n GLU 96 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1rew s LYS 97 N -0.41 4.60 -0.29 3.49 2.20 -1.26 -4.79 119.74 123.29 1rew s LYS 97 Ca 0.00 1.32 -0.21 0.00 -0.36 0.00 0.00 55.97 56.72 1rew s LYS 97 Cb 0.00 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 1rew s LYS 97 CO 0.00 0.16 0.67 0.08 -0.36 0.00 0.00 175.35 175.90 1rew s VAL 98 N 0.28 4.92 0.04 4.02 1.01 -1.26 -0.93 120.40 128.47 1rew s VAL 98 Ca 0.46 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.51 1rew s VAL 98 Cb -0.22 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1rew s VAL 98 CO 0.27 -0.12 -0.14 0.68 0.00 0.00 0.00 175.10 175.80 1rew s VAL 99 N 2.66 1.11 -0.07 2.92 -7.23 -0.65 -4.95 120.40 114.19 1rew s VAL 99 Ca 0.27 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.27 1rew s VAL 99 Cb -0.15 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 1rew s VAL 99 CO 0.11 -0.00 0.44 -0.22 -0.31 0.00 0.00 175.10 175.11 1rew s LEU 100 N -1.16 4.36 -0.04 1.32 2.96 -1.26 -1.45 118.68 123.41 1rew s LEU 100 Ca 0.01 0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 54.78 1rew s LEU 100 Cb -0.08 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 44.00 1rew s LEU 100 CO 0.01 0.15 0.08 -0.75 -1.32 0.00 0.00 176.35 174.52 1rew s LYS 101 N -0.14 0.04 -0.28 1.98 2.20 -0.55 -5.01 119.74 117.98 1rew s LYS 101 Ca 0.24 0.23 -0.22 0.00 -0.36 0.00 0.00 55.97 55.86 1rew s LYS 101 Cb -0.16 -0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.01 1rew s LYS 101 CO 0.11 -0.12 0.72 1.21 -0.36 0.00 0.00 175.35 176.91 1rew s ASN 102 N 0.82 6.64 -0.35 1.43 2.47 -1.26 -1.29 114.94 123.41 1rew s ASN 102 Ca -0.07 0.70 -0.12 0.00 0.42 0.00 0.00 52.86 53.79 1rew s ASN 102 Cb -0.09 -2.38 -0.01 0.00 -1.45 0.00 0.00 41.25 37.33 1rew s ASN 102 CO -0.03 -0.50 0.23 -0.31 -3.72 0.00 0.00 177.10 172.76 1rew s TYR 103 N 2.74 3.22 0.71 0.43 1.51 0.72 -4.99 117.35 121.69 1rew s TYR 103 Ca 0.30 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 1rew s TYR 103 Cb -0.15 -2.46 0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1rew s TYR 103 CO 0.10 -0.44 1.07 -0.65 -1.11 0.00 0.00 175.55 174.53 1rew s GLN 104 N 1.68 2.76 -1.33 -0.62 -1.52 -1.26 -1.33 119.66 118.03 1rew s GLN 104 Ca 0.05 1.07 -0.06 0.00 -1.95 0.00 0.00 55.36 54.47 1rew s GLN 104 Cb -0.18 -1.96 0.02 0.00 -0.22 0.00 0.00 33.01 30.67 1rew s GLN 104 CO 0.09 -1.25 1.06 -0.25 -0.25 0.00 0.00 175.29 174.69 1rew n ASP 105 N -3.10 -4.33 -0.03 5.90 8.00 -1.22 -4.87 116.55 116.90 1rew n ASP 105 Ca 0.08 -0.62 0.04 0.00 0.71 0.00 0.00 54.79 55.00 1rew n ASP 105 Cb 0.53 -4.82 -0.15 0.00 -0.02 0.00 0.00 41.12 36.67 1rew n ASP 105 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1rew n MET 106 N -4.63 0.73 -4.63 -1.24 2.81 -0.12 -4.88 117.12 105.17 1rew n MET 106 Ca -0.11 -0.13 -0.27 0.00 -1.81 0.00 0.00 57.70 55.38 1rew n MET 106 Cb 0.60 -1.45 -0.17 0.00 -0.71 0.00 0.00 33.22 31.49 1rew n MET 106 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1rew s VAL 107 N -3.06 1.40 -0.16 2.03 1.01 -0.69 -4.71 120.40 116.22 1rew s VAL 107 Ca -0.08 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1rew s VAL 107 Cb 0.10 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1rew s VAL 107 CO 0.77 0.42 1.26 -0.69 0.00 0.00 0.00 175.10 176.86 1rew s VAL 108 N 0.74 4.27 -0.09 2.92 1.01 -0.49 -0.78 120.40 127.98 1rew s VAL 108 Ca -0.12 1.54 0.19 0.00 0.00 0.00 0.00 61.98 63.59 1rew s VAL 108 Cb -0.16 -3.99 -0.29 0.00 0.00 0.00 0.00 36.38 31.94 1rew s VAL 108 CO 0.03 -0.12 0.31 -0.62 0.00 0.00 0.00 175.10 174.69 1rew n GLU 109 N 6.49 0.72 -3.47 2.72 -0.58 -0.02 -4.85 120.64 121.65 1rew n GLU 109 Ca 0.14 -0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.61 1rew n GLU 109 Cb 0.45 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.79 1rew n GLU 109 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1rew s GLY 110 N -4.72 -0.59 0.15 0.62 0.00 -1.10 -4.94 107.32 96.75 1rew s GLY 110 Ca -0.08 0.90 0.10 0.00 0.00 0.00 0.00 44.72 45.64 1rew s GLY 110 CO 0.83 0.54 -0.22 0.00 0.00 0.00 0.00 173.10 174.25 1rew n GLY 112 N 0.56 1.23 3.60 0.00 0.00 0.16 -4.73 105.19 106.00 1rew n GLY 112 Ca -0.15 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1rew n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32