#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 5.80 -0.36 -3.46 0.01 -1.26 -1.58 113.70 112.85 1rew s SER 13 Ca 0.00 1.00 -0.45 0.00 1.31 0.00 0.00 55.95 57.81 1rew s SER 13 Cb 0.00 -2.01 -0.19 0.00 0.21 0.00 0.00 66.02 64.03 1rew s SER 13 CO 0.00 -1.01 1.50 0.00 0.41 0.00 0.00 173.24 174.13 1rew s LYS 15 N 2.35 1.70 0.21 0.00 -2.85 -0.80 -4.94 119.74 115.42 1rew s LYS 15 Ca 1.01 -0.98 -0.26 0.00 -1.00 0.00 0.00 55.97 54.74 1rew s LYS 15 Cb -1.39 0.55 -0.09 0.00 -2.06 0.00 0.00 37.83 34.84 1rew s LYS 15 CO 0.74 -0.78 0.84 0.50 0.10 0.00 0.00 175.35 176.75 1rew s ARG 16 N -3.43 4.63 0.16 1.78 3.52 -1.26 -1.78 118.95 122.57 1rew s ARG 16 Ca 0.13 1.26 0.09 0.00 -0.13 0.00 0.00 55.73 57.07 1rew s ARG 16 Cb -0.05 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1rew s ARG 16 CO 0.07 0.50 -0.20 -1.01 -0.81 0.00 0.00 175.30 173.84 1rew s HIS 17 N -1.25 1.96 0.43 5.12 3.76 0.14 -4.96 115.29 120.49 1rew s HIS 17 Ca 0.40 -0.43 -0.25 0.00 -0.15 0.00 0.00 55.06 54.63 1rew s HIS 17 Cb -0.23 -0.99 -0.08 0.00 1.11 0.00 0.00 32.58 32.39 1rew s HIS 17 CO 0.27 0.36 1.29 -1.25 -0.85 0.00 0.00 174.74 174.56 1rew s PRO 18 N -2.61 3.83 -0.30 8.40 0.04 -1.26 -1.60 135.00 141.50 1rew s PRO 18 Ca 0.16 2.11 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 1rew s PRO 18 Cb -0.07 -2.64 0.19 0.00 0.04 0.00 0.00 34.50 32.02 1rew s PRO 18 CO 0.07 -0.59 0.64 -1.17 0.04 0.00 0.00 177.00 175.99 1rew s LEU 19 N -2.66 -1.31 -0.17 -3.56 2.96 -1.26 -4.63 118.68 108.05 1rew s LEU 19 Ca 0.60 0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 55.20 1rew s LEU 19 Cb -0.37 2.09 -0.05 0.00 0.50 0.00 0.00 46.19 48.36 1rew s LEU 19 CO 0.47 -0.24 0.19 -0.47 -1.32 0.00 0.00 176.35 174.97 1rew s TYR 20 N 2.87 3.46 -0.37 5.38 5.04 -1.26 -0.42 117.35 132.05 1rew s TYR 20 Ca 0.19 0.46 -0.11 0.00 -2.44 0.00 0.00 57.07 55.16 1rew s TYR 20 Cb -0.14 -2.19 0.02 0.00 0.35 0.00 0.00 41.96 40.00 1rew s TYR 20 CO -0.20 0.35 0.21 0.08 -1.34 0.00 0.00 175.55 174.65 1rew s VAL 21 N 0.14 4.65 -0.24 3.14 1.01 0.50 -4.94 120.40 124.67 1rew s VAL 21 Ca 0.12 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1rew s VAL 21 Cb -0.12 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1rew s VAL 21 CO 0.01 -0.23 0.13 -0.62 0.00 0.00 0.00 175.10 174.40 1rew s ASP 22 N 1.57 5.80 0.47 3.32 2.15 -1.26 -1.48 116.67 127.25 1rew s ASP 22 Ca 0.02 0.01 0.22 0.00 0.43 0.00 0.00 52.55 53.24 1rew s ASP 22 Cb -0.19 -2.04 1.19 0.00 -0.30 0.00 0.00 42.92 41.57 1rew s ASP 22 CO 0.07 0.04 1.98 -0.26 -0.17 0.00 0.00 175.17 176.83 1rew h PHE 23 N 7.71 0.00 -0.35 -5.34 0.04 -1.62 -1.72 116.94 115.67 1rew h PHE 23 Ca -0.37 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.39 1rew h PHE 23 Cb 1.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 1rew h PHE 23 CO 0.67 0.19 0.18 0.77 -0.60 0.00 0.00 178.31 179.52 1rew h SER 24 N 0.00 0.45 0.69 2.17 0.02 -1.91 0.41 113.55 115.38 1rew h SER 24 Ca -0.00 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1rew h SER 24 Cb 0.45 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1rew h SER 24 CO 0.02 0.43 -0.01 0.44 -1.14 0.00 0.00 176.83 176.58 1rew h ASP 25 N 0.43 0.00 -0.01 3.07 3.32 -1.71 -2.06 116.42 119.46 1rew h ASP 25 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1rew h ASP 25 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1rew h ASP 25 CO -0.02 0.01 -0.42 1.33 -1.72 0.00 0.00 179.24 178.42 1rew n VAL 26 N -3.12 0.00 -1.16 -1.35 0.24 -1.06 -4.99 118.33 106.90 1rew n VAL 26 Ca -0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1rew n VAL 26 Cb 0.24 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 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 1.28 0.93 1.11 7.63 0.00 -0.23 -4.98 105.19 110.93 1rew n GLY 27 Ca 0.08 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.83 1.14 0.32 1.61 8.01 0.13 -4.63 117.44 121.19 1rew n TRP 28 Ca 0.00 -0.78 0.20 0.00 -1.31 0.00 0.00 57.50 55.61 1rew n TRP 28 Cb 0.27 -0.31 1.07 0.00 -2.01 0.00 0.00 31.31 30.33 1rew n TRP 28 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1rew h ASN 29 N 2.46 0.00 0.80 -0.99 2.35 -1.84 -2.57 115.58 115.78 1rew h ASN 29 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1rew h ASN 29 Cb 1.45 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.79 1rew h ASN 29 CO 0.24 0.01 -1.30 -2.24 -1.65 0.00 0.00 177.43 172.49 1rew h ASP 30 N 0.00 0.00 0.00 5.81 2.03 -1.93 -3.40 116.42 118.93 1rew h ASP 30 Ca -0.00 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.06 1rew h ASP 30 Cb 0.04 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.50 1rew h ASP 30 CO 0.00 0.62 -1.97 -2.67 -1.03 0.00 0.00 179.24 174.18 1rew n TRP 31 N -2.96 0.00 -3.35 4.15 4.27 -1.11 -4.83 117.44 113.60 1rew n TRP 31 Ca -0.08 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.12 1rew n TRP 31 Cb 0.85 -0.69 -0.09 0.00 -1.36 0.00 0.00 31.31 30.02 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 -2.41 5.12 -0.16 -1.67 1.01 -0.99 -0.36 121.20 121.74 1rew s ILE 32 Ca -0.07 0.25 0.18 0.00 0.00 0.00 0.00 60.65 61.01 1rew s ILE 32 Cb 0.05 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 1rew s ILE 32 CO 0.60 -0.07 1.00 1.62 0.00 0.00 0.00 174.94 178.09 1rew h VAL 33 N 5.53 0.43 -1.88 2.92 3.04 -1.14 -3.44 116.25 121.71 1rew h VAL 33 Ca -0.30 -1.77 -0.01 0.00 -1.01 0.00 0.00 66.70 63.61 1rew h VAL 33 Cb 1.14 1.98 -0.22 0.00 -2.01 0.00 0.00 31.29 32.18 1rew h VAL 33 CO 0.71 0.24 0.25 0.00 -1.01 0.00 0.00 177.57 177.75 1rew s ALA 34 N -3.04 -1.83 0.87 3.17 0.00 -1.09 -4.75 121.76 115.10 1rew s ALA 34 Ca -0.01 1.80 -0.11 0.00 0.00 0.00 0.00 51.96 53.64 1rew s ALA 34 Cb 0.09 -0.92 0.17 0.00 0.00 0.00 0.00 23.12 22.45 1rew s ALA 34 CO 0.79 -0.32 1.21 -1.25 0.00 0.00 0.00 175.76 176.19 1rew s PRO 35 N -0.14 1.08 0.52 0.00 0.04 -1.26 -0.03 135.00 135.20 1rew s PRO 35 Ca -0.02 -0.57 0.34 0.00 0.04 0.00 0.00 61.00 60.79 1rew s PRO 35 Cb -0.03 -2.00 1.52 0.00 0.04 0.00 0.00 34.50 34.02 1rew s PRO 35 CO 0.02 -2.04 2.01 -1.35 0.04 0.00 0.00 177.00 175.67 1rew h PRO 36 N -1.25 0.00 0.00 0.56 0.11 -1.93 -3.47 132.00 126.02 1rew h PRO 36 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1rew h PRO 36 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1rew h PRO 36 CO 0.41 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.61 1rew n GLY 37 N -0.26 -0.89 3.39 -0.55 0.00 -1.26 -1.51 105.19 104.11 1rew n GLY 37 Ca -0.00 -1.07 -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 -2.00 -0.42 -0.44 1.61 1.13 -0.55 -4.98 117.35 111.70 1rew s TYR 38 Ca 0.00 0.18 -0.27 0.00 -1.41 0.00 0.00 57.07 55.57 1rew s TYR 38 Cb 0.00 0.46 0.03 0.00 -1.10 0.00 0.00 41.96 41.34 1rew s TYR 38 CO 0.00 -0.80 1.02 -1.01 -2.51 0.00 0.00 175.55 172.25 1rew s HIS 39 N -3.77 2.92 -0.16 -3.49 3.76 -1.26 -0.37 115.29 112.92 1rew s HIS 39 Ca 0.02 0.64 0.03 0.00 -0.15 0.00 0.00 55.06 55.60 1rew s HIS 39 Cb -0.00 -4.09 -0.23 0.00 1.11 0.00 0.00 32.58 29.37 1rew s HIS 39 CO -0.13 -1.10 0.21 0.00 -0.85 0.00 0.00 174.74 172.87 1rew n ALA 40 N 7.36 1.25 -1.17 -1.40 0.00 0.44 -4.77 120.51 122.22 1rew n ALA 40 Ca 0.09 -0.88 0.15 0.00 0.00 0.00 0.00 53.44 52.80 1rew n ALA 40 Cb 0.49 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.22 -3.02 -3.77 0.00 3.72 -0.61 -1.26 117.46 109.30 1rew n PHE 41 Ca -0.33 1.57 -0.09 0.00 -0.05 0.00 0.00 57.45 58.54 1rew n PHE 41 Cb 1.05 -2.74 -0.04 0.00 -0.94 0.00 0.00 39.48 36.81 1rew n PHE 41 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1rew s TYR 42 N -2.81 -0.09 -0.09 1.38 -0.85 -0.62 -4.70 117.35 109.57 1rew s TYR 42 Ca 0.00 -0.26 -0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1rew s TYR 42 Cb 0.00 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 1rew s TYR 42 CO 0.00 -0.96 -0.06 0.00 -1.52 0.00 0.00 175.55 173.01 1rew s HIS 44 N -0.57 -0.59 0.00 0.00 5.04 -0.74 -4.79 115.29 113.64 1rew s HIS 44 Ca 0.09 1.15 0.00 0.00 -1.54 0.00 0.00 55.06 54.75 1rew s HIS 44 Cb -0.12 0.39 0.00 0.00 0.04 0.00 0.00 32.58 32.89 1rew s HIS 44 CO 0.02 -0.47 0.00 0.41 -2.34 0.00 0.00 174.74 172.36 1rew n GLY 45 N 1.28 3.24 3.77 1.59 0.00 -1.26 -1.90 105.19 111.91 1rew n GLY 45 Ca -0.15 -1.79 -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 -2.16 3.23 -0.73 1.61 2.12 -0.62 -3.64 118.70 118.53 1rew s GLU 46 Ca 0.00 1.67 -0.04 0.00 0.36 0.00 0.00 54.97 56.96 1rew s GLU 46 Cb 0.00 -1.98 0.19 0.00 0.26 0.00 0.00 34.13 32.59 1rew s GLU 46 CO 0.00 -0.96 0.58 0.00 -0.54 0.00 0.00 175.26 174.34 1rew s PRO 48 N -0.44 2.29 -0.11 0.00 0.04 -1.26 -4.68 135.00 130.83 1rew s PRO 48 Ca 0.20 -0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.01 1rew s PRO 48 Cb -0.15 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1rew s PRO 48 CO -0.07 -1.25 0.46 0.12 0.04 0.00 0.00 177.00 176.30 1rew s PHE 49 N -3.32 3.52 0.52 0.56 5.36 -1.26 -3.06 117.98 120.30 1rew s PHE 49 Ca 0.60 0.88 -0.04 0.00 -0.96 0.00 0.00 56.93 57.40 1rew s PHE 49 Cb -0.11 -2.52 -0.01 0.00 -0.34 0.00 0.00 43.02 40.04 1rew s PHE 49 CO 0.47 0.20 0.81 -1.25 -1.46 0.00 0.00 175.22 173.98 1rew s PRO 50 N 0.51 3.20 -0.33 10.12 0.04 -1.26 -5.10 135.00 142.19 1rew s PRO 50 Ca 0.25 -0.02 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 1rew s PRO 50 Cb -0.15 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 32.03 1rew s PRO 50 CO 0.10 -0.41 1.04 -0.51 0.04 0.00 0.00 177.00 177.27 1rew s LEU 51 N -4.80 3.93 0.70 -3.56 1.43 -1.17 -5.02 118.68 110.19 1rew s LEU 51 Ca 0.50 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1rew s LEU 51 Cb -0.10 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.65 1rew s LEU 51 CO 0.43 -0.88 1.07 0.00 0.23 0.00 0.00 176.35 177.20 1rew s ALA 52 N 3.62 2.70 0.21 4.21 0.00 -1.26 -4.93 121.76 126.32 1rew s ALA 52 Ca 0.44 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 1rew s ALA 52 Cb -0.12 -3.12 0.29 0.00 0.00 0.00 0.00 23.12 20.18 1rew s ALA 52 CO 0.16 -1.21 1.66 0.22 0.00 0.00 0.00 175.76 176.59 1rew h ASP 53 N -0.71 -0.32 0.14 0.00 1.82 -2.03 -0.98 116.42 114.35 1rew h ASP 53 Ca -0.45 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 1rew h ASP 53 Cb 1.23 0.29 0.00 0.00 0.68 0.00 0.00 39.33 41.52 1rew h ASP 53 CO 0.59 -0.13 0.00 0.00 -1.61 0.00 0.00 179.24 178.09 1rew n HIS 54 N -5.30 0.00 1.38 0.28 1.44 -1.26 -1.56 115.22 110.20 1rew n HIS 54 Ca 0.09 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.94 1rew n HIS 54 Cb 0.36 -0.42 0.49 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 -1.42 0.99 -4.07 2.39 4.77 -0.37 -4.85 117.00 114.45 1rew n LEU 55 Ca 0.02 -0.26 -0.33 0.00 -0.03 0.00 0.00 56.01 55.41 1rew n LEU 55 Cb 0.05 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1rew n LEU 55 CO 0.04 0.18 -0.30 0.59 -1.33 0.00 0.00 177.39 176.57 1rew n ASN 56 N -0.51 -1.11 -4.85 -1.43 5.03 -0.60 -1.95 115.26 109.84 1rew n ASN 56 Ca 0.15 -1.12 -0.32 0.00 0.87 0.00 0.00 54.58 54.16 1rew n ASN 56 Cb 0.32 -1.37 -0.02 0.00 -1.02 0.00 0.00 39.78 37.69 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 -3.99 6.49 0.56 6.41 0.01 -1.26 -4.65 113.70 117.26 1rew s SER 57 Ca 0.19 1.48 -0.07 0.00 1.31 0.00 0.00 55.95 58.87 1rew s SER 57 Cb -0.11 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1rew s SER 57 CO 0.86 -0.66 0.89 0.42 0.41 0.00 0.00 173.24 175.15 1rew s THR 58 N -2.79 4.29 0.27 1.44 -4.23 -1.25 -4.95 115.64 108.42 1rew s THR 58 Ca 0.57 0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1rew s THR 58 Cb -0.10 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1rew s THR 58 CO 0.39 -0.72 1.68 0.78 -0.54 0.00 0.00 174.62 176.20 1rew h ASN 59 N -0.07 0.11 -0.71 3.99 2.35 -1.97 -1.77 115.58 117.50 1rew h ASN 59 Ca -0.46 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1rew h ASN 59 Cb 1.23 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.75 1rew h ASN 59 CO 0.61 -0.04 0.40 -0.74 -1.65 0.00 0.00 177.43 176.01 1rew h HIS 60 N 0.30 0.97 -0.62 1.19 2.76 -1.99 0.38 115.15 118.15 1rew h HIS 60 Ca 0.48 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.56 1rew h HIS 60 Cb 0.88 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 1rew h HIS 60 CO -0.23 0.68 0.08 0.00 -1.30 0.00 0.00 177.93 177.16 1rew h ALA 61 N 1.20 0.97 -0.11 5.26 0.00 -1.75 0.28 119.26 125.11 1rew h ALA 61 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rew h ALA 61 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1rew h ALA 61 CO -0.04 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.73 1rew h ILE 62 N 0.95 1.10 -0.36 0.00 2.04 -0.76 0.02 117.51 120.51 1rew h ILE 62 Ca 0.19 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1rew h ILE 62 Cb 0.44 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1rew h ILE 62 CO 0.01 0.09 0.18 0.58 0.00 0.00 0.00 178.15 179.02 1rew h VAL 63 N 0.07 1.15 -0.94 1.67 2.07 -0.71 -1.71 116.25 117.85 1rew h VAL 63 Ca 0.04 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1rew h VAL 63 Cb 0.09 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1rew h VAL 63 CO -0.01 0.16 0.62 -0.61 0.02 0.00 0.00 177.57 177.75 1rew h GLN 64 N 0.44 1.20 -0.72 1.57 4.15 -0.33 0.79 115.11 122.21 1rew h GLN 64 Ca 0.12 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1rew h GLN 64 Cb 0.09 -0.27 -0.05 0.00 0.21 0.00 0.00 27.48 27.46 1rew h GLN 64 CO -0.02 0.79 0.45 1.15 -1.93 0.00 0.00 178.83 179.27 1rew h THR 65 N 1.23 1.09 -0.41 2.39 2.02 -0.70 -0.06 112.91 118.47 1rew h THR 65 Ca 0.36 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 67.12 1rew h THR 65 Cb -0.08 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1rew h THR 65 CO -0.10 0.16 -0.25 -0.07 0.37 0.00 0.00 175.52 175.63 1rew h LEU 66 N 0.87 0.86 -0.65 2.58 3.38 -0.54 -2.50 115.31 119.32 1rew h LEU 66 Ca 0.29 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1rew h LEU 66 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1rew h LEU 66 CO -0.12 1.07 0.16 0.58 0.09 0.00 0.00 178.44 180.21 1rew h VAL 67 N 0.72 1.26 -0.49 1.22 2.07 -0.41 -2.33 116.25 118.29 1rew h VAL 67 Ca 0.09 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1rew h VAL 67 Cb 0.79 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1rew h VAL 67 CO 0.07 0.36 0.32 -1.13 0.02 0.00 0.00 177.57 177.20 1rew h ASN 68 N 0.96 0.55 0.98 0.57 -0.73 -0.88 0.12 115.58 117.16 1rew h ASN 68 Ca 0.20 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.32 1rew h ASN 68 Cb 0.37 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1rew h ASN 68 CO 0.00 0.40 -0.21 0.77 -0.37 0.00 0.00 177.43 178.02 1rew h SER 69 N 0.65 0.00 0.16 1.15 4.64 -0.97 -2.98 113.55 116.20 1rew h SER 69 Ca 0.18 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.21 1rew h SER 69 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1rew h SER 69 CO -0.04 0.21 -1.43 0.58 -0.87 0.00 0.00 176.83 175.28 1rew h VAL 70 N 0.00 1.11 -2.51 0.95 2.07 -0.69 -3.45 116.25 113.73 1rew h VAL 70 Ca -0.00 -2.49 -0.22 0.00 0.82 0.00 0.00 66.70 64.80 1rew h VAL 70 Cb 0.75 2.85 -0.32 0.00 -1.52 0.00 0.00 31.29 33.05 1rew h VAL 70 CO 0.03 0.77 -0.53 0.21 0.02 0.00 0.00 177.57 178.06 1rew s ASN 71 N -7.17 0.58 0.00 0.57 3.84 0.24 -5.03 114.94 107.97 1rew s ASN 71 Ca -0.16 0.30 0.17 0.00 0.21 0.00 0.00 52.86 53.38 1rew s ASN 71 Cb 0.04 0.75 0.97 0.00 -0.55 0.00 0.00 41.25 42.46 1rew s ASN 71 CO 0.83 -0.28 1.48 -1.54 -2.79 0.00 0.00 177.10 174.79 1rew n SER 72 N 5.35 0.00 0.27 -4.21 3.41 -1.13 -2.08 113.62 115.22 1rew n SER 72 Ca -0.06 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.40 1rew n SER 72 Cb 0.50 -0.13 0.74 0.00 -0.26 0.00 0.00 64.21 65.06 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 -5.73 4.33 1.57 -1.93 -3.39 116.57 111.42 1rew h LYS 73 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1rew h LYS 73 Cb 0.07 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 1rew h LYS 73 CO 0.00 0.11 0.18 0.42 -0.57 0.00 0.00 179.45 179.59 1rew s ILE 74 N -4.22 4.99 0.84 1.86 -1.09 -0.88 -5.06 121.20 117.64 1rew s ILE 74 Ca -0.03 1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 59.57 1rew s ILE 74 Cb 0.13 -3.99 0.10 0.00 -1.58 0.00 0.00 42.46 37.12 1rew s ILE 74 CO 0.58 0.09 1.09 -2.16 -1.23 0.00 0.00 174.94 173.32 1rew s PRO 75 N 1.95 1.70 0.79 2.79 0.04 -1.26 -4.34 135.00 136.66 1rew s PRO 75 Ca 0.31 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 1rew s PRO 75 Cb -0.16 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1rew s PRO 75 CO 0.11 -2.00 1.09 0.15 0.04 0.00 0.00 177.00 176.38 1rew s LYS 76 N -4.89 2.16 1.01 4.56 1.02 -1.26 -4.72 119.74 117.61 1rew s LYS 76 Ca 0.63 1.02 -0.12 0.00 0.02 0.00 0.00 55.97 57.52 1rew s LYS 76 Cb -0.18 -1.90 0.20 0.00 -0.52 0.00 0.00 37.83 35.43 1rew s LYS 76 CO 0.57 -1.67 1.08 0.00 -0.92 0.00 0.00 175.35 174.40 1rew s ALA 77 N -2.95 0.73 0.04 5.17 0.00 -1.26 -5.02 121.76 118.46 1rew s ALA 77 Ca 0.61 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.61 1rew s ALA 77 Cb -0.17 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1rew s ALA 77 CO 0.56 -3.02 -0.25 0.00 0.00 0.00 0.00 175.76 173.05 1rew s VAL 80 N 3.43 0.12 0.26 0.00 -7.23 -0.17 -4.48 120.40 112.32 1rew s VAL 80 Ca 0.39 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 1rew s VAL 80 Cb -0.12 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 1rew s VAL 80 CO 0.17 -0.25 1.44 -2.84 -0.31 0.00 0.00 175.10 173.30 1rew s PRO 81 N -4.09 4.27 0.00 4.82 0.02 -1.26 -0.85 135.00 137.91 1rew s PRO 81 Ca 0.31 2.31 0.05 0.00 0.02 0.00 0.00 61.00 63.69 1rew s PRO 81 Cb 0.07 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 1rew s PRO 81 CO 0.07 -0.41 0.34 0.25 -0.33 0.00 0.00 177.00 176.91 1rew n THR 82 N 2.23 0.00 -3.75 0.99 -2.24 -0.10 -4.80 114.28 106.62 1rew n THR 82 Ca 0.06 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1rew n THR 82 Cb 0.40 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.24 0.20 0.14 -0.78 2.12 -1.16 -4.96 118.70 113.01 1rew s GLU 83 Ca 0.03 0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.86 1rew s GLU 83 Cb 0.04 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 1rew s GLU 83 CO 0.18 -0.13 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.14 1rew s LEU 84 N 0.94 2.46 0.27 2.70 1.43 -1.26 -0.75 118.68 124.48 1rew s LEU 84 Ca -0.07 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.18 1rew s LEU 84 Cb -0.08 -0.46 -0.06 0.00 0.03 0.00 0.00 46.19 45.62 1rew s LEU 84 CO -0.06 -0.23 -0.03 -0.94 0.23 0.00 0.00 176.35 175.32 1rew s SER 85 N -2.79 2.49 0.27 2.29 1.04 -0.09 -4.77 113.70 112.13 1rew s SER 85 Ca 0.13 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 1rew s SER 85 Cb -0.02 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1rew s SER 85 CO 0.02 -0.41 0.48 0.00 0.98 0.00 0.00 173.24 174.31 1rew s ALA 86 N -3.14 3.74 0.10 5.32 0.00 -1.26 -0.52 121.76 125.99 1rew s ALA 86 Ca 0.30 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.52 1rew s ALA 86 Cb 0.05 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1rew s ALA 86 CO 0.11 0.24 -0.13 0.96 0.00 0.00 0.00 175.76 176.94 1rew s ILE 87 N -2.06 1.17 0.07 0.00 -4.36 -0.65 -4.90 121.20 110.47 1rew s ILE 87 Ca 0.40 -1.54 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1rew s ILE 87 Cb -0.10 -1.32 -0.05 0.00 1.25 0.00 0.00 42.46 42.24 1rew s ILE 87 CO 0.31 -0.37 0.28 -0.44 0.24 0.00 0.00 174.94 174.96 1rew s SER 88 N -2.18 6.44 0.00 4.36 0.01 -1.26 -0.21 113.70 120.86 1rew s SER 88 Ca 0.04 0.45 -0.05 0.00 1.31 0.00 0.00 55.95 57.69 1rew s SER 88 Cb -0.06 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.13 1rew s SER 88 CO 0.02 0.16 0.10 -0.04 0.41 0.00 0.00 173.24 173.89 1rew s MET 89 N -2.35 0.41 -0.14 12.44 -1.94 -0.02 -4.55 119.30 123.16 1rew s MET 89 Ca 0.35 -0.38 -0.04 0.00 -1.71 0.00 0.00 55.69 53.91 1rew s MET 89 Cb -0.13 0.17 -0.03 0.00 2.01 0.00 0.00 34.83 36.85 1rew s MET 89 CO 0.24 -0.09 -0.01 -1.17 -0.01 0.00 0.00 175.02 173.97 1rew s LEU 90 N -1.24 3.42 0.24 -0.03 2.96 0.95 -0.65 118.68 124.34 1rew s LEU 90 Ca -0.13 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1rew s LEU 90 Cb -0.07 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1rew s LEU 90 CO 0.01 0.23 0.23 -0.72 -1.32 0.00 0.00 176.35 174.78 1rew s TYR 91 N -0.02 1.14 -0.17 5.38 1.13 -0.50 -0.57 117.35 123.73 1rew s TYR 91 Ca 0.02 -1.33 -0.07 0.00 -1.41 0.00 0.00 57.07 54.29 1rew s TYR 91 Cb -0.13 -0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 40.25 1rew s TYR 91 CO 0.02 -0.76 0.05 -0.51 -2.51 0.00 0.00 175.55 171.84 1rew s LEU 92 N -3.18 3.77 0.00 -3.49 1.43 0.51 -1.54 118.68 116.19 1rew s LEU 92 Ca 0.36 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1rew s LEU 92 Cb 0.05 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1rew s LEU 92 CO 0.15 0.19 0.01 -0.90 0.23 0.00 0.00 176.35 176.03 1rew n ASP 93 N 3.40 0.02 -0.32 2.29 5.68 -0.92 -4.89 116.55 121.81 1rew n ASP 93 Ca -0.17 -1.01 0.18 0.00 -0.50 0.00 0.00 54.79 53.29 1rew n ASP 93 Cb 0.52 -0.01 0.38 0.00 -1.14 0.00 0.00 41.12 40.88 1rew n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1rew h GLU 94 N 0.00 0.22 -0.74 0.11 4.81 -2.00 -0.30 114.58 116.69 1rew h GLU 94 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1rew h GLU 94 Cb 0.01 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1rew h GLU 94 CO 0.00 0.15 0.00 0.27 -0.73 0.00 0.00 179.01 178.70 1rew n ASN 95 N -5.18 3.97 -0.20 1.04 6.94 -1.26 -4.95 115.26 115.62 1rew n ASN 95 Ca 0.27 -2.00 -0.00 0.00 -0.02 0.00 0.00 54.58 52.83 1rew n ASN 95 Cb 0.84 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1rew n ASN 95 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1rew n GLU 96 N 1.68 -0.01 -4.11 -3.83 2.13 -0.12 -5.07 120.64 111.31 1rew n GLU 96 Ca 0.25 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.78 1rew n GLU 96 Cb 0.63 -3.10 -0.07 0.00 0.27 0.00 0.00 31.44 29.16 1rew n GLU 96 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1rew s LYS 97 N -4.40 2.68 -0.34 5.31 2.47 -1.26 -4.86 119.74 119.35 1rew s LYS 97 Ca 0.00 -0.84 -0.19 0.00 -1.56 0.00 0.00 55.97 53.37 1rew s LYS 97 Cb -0.00 -2.58 -0.00 0.00 -1.46 0.00 0.00 37.83 33.78 1rew s LYS 97 CO 0.00 0.52 0.58 0.14 0.16 0.00 0.00 175.35 176.76 1rew s VAL 98 N -1.48 4.95 -0.07 4.02 -7.23 -1.26 -2.16 120.40 117.18 1rew s VAL 98 Ca 0.28 0.55 0.01 0.00 -1.81 0.00 0.00 61.98 61.01 1rew s VAL 98 Cb -0.11 -4.01 -0.03 0.00 0.56 0.00 0.00 36.38 32.79 1rew s VAL 98 CO 0.20 -0.23 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.99 1rew s VAL 99 N 2.55 3.57 -0.13 1.32 1.01 -0.59 -4.93 120.40 123.20 1rew s VAL 99 Ca 0.22 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1rew s VAL 99 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1rew s VAL 99 CO 0.13 0.59 0.41 -0.22 0.00 0.00 0.00 175.10 176.01 1rew s LEU 100 N -0.66 4.27 -0.04 3.92 2.96 -1.26 -1.41 118.68 126.46 1rew s LEU 100 Ca 0.10 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1rew s LEU 100 Cb -0.11 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 44.01 1rew s LEU 100 CO 0.02 0.04 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.29 1rew s LYS 101 N 0.54 0.77 -0.16 1.98 2.20 0.18 -4.99 119.74 120.26 1rew s LYS 101 Ca 0.23 -0.11 -0.25 0.00 -0.36 0.00 0.00 55.97 55.48 1rew s LYS 101 Cb -0.14 -0.78 -0.02 0.00 -1.51 0.00 0.00 37.83 35.38 1rew s LYS 101 CO 0.08 -0.06 0.83 1.21 -0.36 0.00 0.00 175.35 177.05 1rew s ASN 102 N 0.81 6.97 -0.32 1.43 2.47 -1.26 -0.84 114.94 124.21 1rew s ASN 102 Ca -0.11 1.19 -0.08 0.00 0.42 0.00 0.00 52.86 54.28 1rew s ASN 102 Cb -0.13 -2.46 0.01 0.00 -1.45 0.00 0.00 41.25 37.22 1rew s ASN 102 CO 0.00 -0.37 0.13 -0.31 -3.72 0.00 0.00 177.10 172.82 1rew s TYR 103 N 2.01 3.18 0.70 0.43 2.02 0.71 -4.99 117.35 121.41 1rew s TYR 103 Ca 0.39 -0.86 -0.12 0.00 -0.37 0.00 0.00 57.07 56.10 1rew s TYR 103 Cb -0.17 -2.32 0.02 0.00 -0.40 0.00 0.00 41.96 39.09 1rew s TYR 103 CO 0.13 -0.56 1.08 -0.65 -1.57 0.00 0.00 175.55 173.99 1rew s GLN 104 N 1.54 2.73 -1.33 -0.62 -1.52 -1.26 -1.64 119.66 117.56 1rew s GLN 104 Ca 0.03 1.14 -0.06 0.00 -1.95 0.00 0.00 55.36 54.51 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 0.04 -1.28 1.05 -0.25 -0.25 0.00 0.00 175.29 174.60 1rew n ASP 105 N -3.00 -4.24 -0.03 5.90 8.00 -1.22 -4.88 116.55 117.08 1rew n ASP 105 Ca 0.09 -0.63 0.06 0.00 0.71 0.00 0.00 54.79 55.02 1rew n ASP 105 Cb 0.53 -4.79 -0.15 0.00 -0.02 0.00 0.00 41.12 36.69 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 -4.61 0.68 -4.60 -1.24 2.81 0.32 -4.87 117.12 105.61 1rew n MET 106 Ca -0.11 -0.14 -0.27 0.00 -1.81 0.00 0.00 57.70 55.36 1rew n MET 106 Cb 0.60 -1.47 -0.17 0.00 -0.71 0.00 0.00 33.22 31.47 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 -3.18 1.35 -0.12 2.03 1.01 -0.58 -4.71 120.40 116.20 1rew s VAL 107 Ca -0.08 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1rew s VAL 107 Cb 0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1rew s VAL 107 CO 0.81 0.41 1.18 -0.69 0.00 0.00 0.00 175.10 176.81 1rew s VAL 108 N 0.77 4.37 -0.10 2.92 1.01 -0.39 -0.91 120.40 128.07 1rew s VAL 108 Ca -0.12 1.67 0.20 0.00 0.00 0.00 0.00 61.98 63.73 1rew s VAL 108 Cb -0.16 -4.08 -0.30 0.00 0.00 0.00 0.00 36.38 31.85 1rew s VAL 108 CO 0.02 -0.07 0.30 -0.62 0.00 0.00 0.00 175.10 174.74 1rew n GLU 109 N 5.80 0.70 -3.56 2.72 -0.58 0.08 -4.84 120.64 120.94 1rew n GLU 109 Ca 0.12 -0.12 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1rew n GLU 109 Cb 0.46 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 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 -4.86 -0.50 0.14 0.62 0.00 -1.13 -4.95 107.32 96.64 1rew s GLY 110 Ca -0.09 1.16 0.11 0.00 0.00 0.00 0.00 44.72 45.90 1rew s GLY 110 CO 0.86 0.83 -0.25 0.00 0.00 0.00 0.00 173.10 174.54 1rew s GLY 112 N -2.23 0.25 -0.19 0.00 0.00 -0.03 -4.74 107.32 100.38 1rew s GLY 112 Ca 0.16 -0.62 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 1rew s GLY 112 CO 0.08 -0.28 0.37 0.00 0.00 0.00 0.00 173.10 173.27