#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rew s LEU 33 N 0.00 4.10 0.32 3.22 1.43 -1.26 -4.80 118.68 121.69 1rew s LEU 33 Ca 0.00 2.37 -0.29 0.00 -1.03 0.00 0.00 54.13 55.18 1rew s LEU 33 Cb 0.00 -4.12 -0.11 0.00 0.03 0.00 0.00 46.19 41.99 1rew s LEU 33 CO 0.00 -0.84 1.52 -2.16 0.23 0.00 0.00 176.35 175.10 1rew s PRO 34 N -2.50 4.15 0.00 1.29 0.04 -1.26 -4.60 135.00 132.12 1rew s PRO 34 Ca 0.61 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.17 1rew s PRO 34 Cb -0.31 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1rew s PRO 34 CO 0.38 -0.55 0.06 1.97 0.04 0.00 0.00 177.00 178.90 1rew n PHE 35 N 1.57 0.00 -5.01 0.56 1.16 -0.53 -4.85 117.46 110.36 1rew n PHE 35 Ca 0.05 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.31 1rew n PHE 35 Cb 0.39 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.11 1rew n PHE 35 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1rew s LEU 36 N -0.24 2.47 -0.12 5.98 2.96 -0.72 -4.99 118.68 124.02 1rew s LEU 36 Ca 0.00 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1rew s LEU 36 Cb 0.00 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1rew s LEU 36 CO 0.00 0.27 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.53 1rew s LYS 37 N -0.28 3.33 0.13 1.98 2.20 -1.26 -0.86 119.74 124.98 1rew s LYS 37 Ca 0.01 -0.47 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 1rew s LYS 37 Cb -0.13 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 1rew s LYS 37 CO 0.03 0.47 -0.12 0.00 -0.36 0.00 0.00 175.35 175.37 1rew s TYR 39 N -2.70 3.10 0.01 0.00 6.14 -1.26 -1.54 117.35 121.09 1rew s TYR 39 Ca 0.12 1.59 0.00 0.00 0.64 0.00 0.00 57.07 59.42 1rew s TYR 39 Cb -0.01 -3.00 -0.01 0.00 0.42 0.00 0.00 41.96 39.36 1rew s TYR 39 CO 0.02 -0.60 -0.02 0.00 0.64 0.00 0.00 175.55 175.58 1rew s SER 41 N -0.69 -0.80 0.00 0.00 0.15 0.10 -4.74 113.70 107.72 1rew s SER 41 Ca -0.07 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1rew s SER 41 Cb -0.05 1.86 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1rew s SER 41 CO -0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1rew n GLY 42 N 5.42 3.01 0.43 9.45 0.00 -1.26 -1.39 105.19 120.85 1rew n GLY 42 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1rew n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rew n HIS 43 N -1.62 0.00 -2.03 1.61 8.25 -1.24 -4.99 115.22 115.20 1rew n HIS 43 Ca 0.00 -1.02 -0.41 0.00 -0.26 0.00 0.00 57.72 56.03 1rew n HIS 43 Cb 0.00 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.92 1rew n HIS 43 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rew s PRO 45 N -1.90 1.88 0.52 0.00 0.04 -1.26 -4.89 135.00 129.39 1rew s PRO 45 Ca 0.50 1.18 0.34 0.00 0.04 0.00 0.00 61.00 63.07 1rew s PRO 45 Cb -0.41 -1.85 1.87 0.00 0.04 0.00 0.00 34.50 34.15 1rew s PRO 45 CO 0.55 -1.91 2.05 0.22 0.04 0.00 0.00 177.00 177.96 1rew h ASP 46 N -1.32 0.00 -1.07 6.66 1.82 -2.01 -2.22 116.42 118.28 1rew h ASP 46 Ca -0.44 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.70 1rew h ASP 46 Cb 1.24 0.00 -0.42 0.00 0.68 0.00 0.00 39.33 40.84 1rew h ASP 46 CO 0.50 0.00 -0.88 -0.90 -1.61 0.00 0.00 179.24 176.35 1rew n ASP 47 N -2.71 3.85 -4.79 2.28 5.68 -1.26 -5.05 116.55 114.55 1rew n ASP 47 Ca -0.02 -3.35 -0.33 0.00 -0.50 0.00 0.00 54.79 50.58 1rew n ASP 47 Cb 0.06 -0.44 0.02 0.00 -1.14 0.00 0.00 41.12 39.62 1rew n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rew s ALA 48 N -3.52 2.67 0.03 2.12 0.00 -0.84 -5.05 121.76 117.17 1rew s ALA 48 Ca 0.43 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1rew s ALA 48 Cb 0.40 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1rew s ALA 48 CO -0.06 -0.93 -0.19 0.42 0.00 0.00 0.00 175.76 175.00 1rew s ILE 49 N -2.41 1.50 -0.30 0.00 1.09 -1.19 -4.78 121.20 115.12 1rew s ILE 49 Ca 0.65 -1.04 -0.02 0.00 -1.10 0.00 0.00 60.65 59.14 1rew s ILE 49 Cb -0.17 -1.30 0.02 0.00 -1.06 0.00 0.00 42.46 39.94 1rew s ILE 49 CO 0.38 0.23 0.04 0.59 -0.10 0.00 0.00 174.94 176.08 1rew n ASN 50 N 2.10 -0.01 -1.76 3.58 3.02 -1.26 -0.66 115.26 120.26 1rew n ASN 50 Ca -0.17 -0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.03 1rew n ASN 50 Cb 0.54 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 1rew n ASN 50 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rew n ASN 51 N -0.08 -4.12 -4.33 6.41 4.13 -1.26 -5.05 115.26 110.95 1rew n ASN 51 Ca -0.03 -0.14 -0.17 0.00 1.68 0.00 0.00 54.58 55.92 1rew n ASN 51 Cb 0.11 -3.05 -0.10 0.00 -1.54 0.00 0.00 39.78 35.20 1rew n ASN 51 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1rew s THR 52 N -2.86 1.18 0.09 3.41 -4.23 0.17 -1.44 115.64 111.96 1rew s THR 52 Ca 0.15 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1rew s THR 52 Cb -0.07 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1rew s THR 52 CO 0.19 -0.42 0.14 0.00 -0.54 0.00 0.00 174.62 173.99 1rew s ILE 54 N -3.90 2.87 0.18 0.00 -4.36 -1.26 -0.50 121.20 114.23 1rew s ILE 54 Ca 0.08 -1.84 -0.22 0.00 -0.26 0.00 0.00 60.65 58.42 1rew s ILE 54 Cb 0.06 -2.42 0.05 0.00 1.25 0.00 0.00 42.46 41.40 1rew s ILE 54 CO -0.08 -0.14 0.61 0.28 0.24 0.00 0.00 174.94 175.84 1rew s THR 55 N -1.76 0.01 -2.57 8.37 -1.32 -0.04 -4.99 115.64 113.33 1rew s THR 55 Ca 0.24 -0.29 0.23 0.00 -1.21 0.00 0.00 61.69 60.66 1rew s THR 55 Cb -0.08 -1.25 0.38 0.00 -1.51 0.00 0.00 72.50 70.04 1rew s THR 55 CO 0.13 -0.03 1.41 -0.46 -2.21 0.00 0.00 174.62 173.47 1rew n ASN 56 N -0.38 2.95 0.00 8.08 6.94 -1.26 -1.45 115.26 130.14 1rew n ASN 56 Ca -0.14 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 1rew n ASN 56 Cb 0.64 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1rew n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rew n GLY 57 N 1.39 0.47 3.08 4.83 0.00 -1.22 -4.40 105.19 109.34 1rew n GLY 57 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1rew n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rew s HIS 58 N 0.96 0.37 0.23 1.61 3.76 0.02 -4.86 115.29 117.38 1rew s HIS 58 Ca 0.00 -0.81 -0.17 0.00 -0.15 0.00 0.00 55.06 53.93 1rew s HIS 58 Cb 0.00 -0.27 -0.08 0.00 1.11 0.00 0.00 32.58 33.34 1rew s HIS 58 CO 0.00 -0.36 0.69 0.00 -0.85 0.00 0.00 174.74 174.22 1rew s PHE 60 N -1.60 1.12 0.01 0.00 -0.12 -0.03 -1.14 117.98 116.23 1rew s PHE 60 Ca 0.44 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 1rew s PHE 60 Cb -0.15 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.62 1rew s PHE 60 CO 0.20 0.02 -0.13 0.00 -0.05 0.00 0.00 175.22 175.26 1rew s ALA 61 N -2.81 1.07 -0.03 1.99 0.00 -0.57 -2.26 121.76 119.15 1rew s ALA 61 Ca 0.10 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1rew s ALA 61 Cb -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1rew s ALA 61 CO -0.00 0.23 -0.03 -1.50 0.00 0.00 0.00 175.76 174.46 1rew s ILE 62 N -0.58 0.39 -0.16 0.00 2.07 0.56 -1.14 121.20 122.35 1rew s ILE 62 Ca 0.03 -0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 1rew s ILE 62 Cb -0.06 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 42.06 1rew s ILE 62 CO 0.00 0.18 0.07 -0.51 -1.91 0.00 0.00 174.94 172.78 1rew s ILE 63 N 0.81 4.90 -0.02 2.00 2.07 -0.31 -1.42 121.20 129.23 1rew s ILE 63 Ca -0.10 -0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.09 1rew s ILE 63 Cb -0.13 -3.18 0.00 0.00 0.13 0.00 0.00 42.46 39.29 1rew s ILE 63 CO -0.00 0.50 0.12 -1.83 -1.91 0.00 0.00 174.94 171.81 1rew s GLU 64 N -0.00 0.31 -0.19 3.50 -1.05 -0.49 -0.83 118.70 119.95 1rew s GLU 64 Ca 0.07 -0.15 -0.02 0.00 -0.15 0.00 0.00 54.97 54.71 1rew s GLU 64 Cb -0.12 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1rew s GLU 64 CO 0.01 -0.06 -0.09 -2.00 0.95 0.00 0.00 175.26 174.07 1rew s GLU 65 N -0.72 3.34 0.50 -4.83 2.12 -0.09 -0.77 118.70 118.25 1rew s GLU 65 Ca -0.08 -0.66 -0.06 0.00 0.36 0.00 0.00 54.97 54.52 1rew s GLU 65 Cb -0.05 -2.84 0.11 0.00 0.26 0.00 0.00 34.13 31.61 1rew s GLU 65 CO 0.01 -0.07 0.69 -0.40 -0.54 0.00 0.00 175.26 174.95 1rew n ASP 66 N 4.36 0.30 -0.38 -1.70 5.68 0.00 -4.19 116.55 120.62 1rew n ASP 66 Ca -0.18 -1.40 0.35 0.00 -0.50 0.00 0.00 54.79 53.05 1rew n ASP 66 Cb 0.51 -0.50 0.62 0.00 -1.14 0.00 0.00 41.12 40.61 1rew n ASP 66 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1rew h ASP 67 N -0.77 0.29 -0.42 -1.12 5.19 -2.00 -2.10 116.42 115.49 1rew h ASP 67 Ca -0.22 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1rew h ASP 67 Cb 0.68 0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1rew h ASP 67 CO 0.18 -0.34 0.00 0.00 -3.12 0.00 0.00 179.24 175.96 1rew n GLN 68 N -5.03 2.43 -0.55 3.56 1.13 -1.26 -4.92 117.38 112.73 1rew n GLN 68 Ca 0.38 -2.21 0.00 0.00 -1.94 0.00 0.00 57.00 53.24 1rew n GLN 68 Cb 1.37 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 30.28 1rew n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rew n GLY 69 N 1.22 0.72 3.67 1.08 0.00 -0.79 -5.04 105.19 106.05 1rew n GLY 69 Ca 0.17 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1rew n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rew s GLU 70 N -0.48 4.23 -0.11 1.61 2.56 -1.26 -4.84 118.70 120.42 1rew s GLU 70 Ca 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 54.97 55.43 1rew s GLU 70 Cb 0.00 -3.54 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 1rew s GLU 70 CO 0.00 -0.12 0.07 0.95 -0.56 0.00 0.00 175.26 175.61 1rew s THR 71 N 1.52 4.94 0.12 -1.70 -4.23 -1.26 -0.82 115.64 114.21 1rew s THR 71 Ca 0.27 -0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1rew s THR 71 Cb -0.16 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 1rew s THR 71 CO 0.10 0.60 -0.12 0.42 -0.54 0.00 0.00 174.62 175.08 1rew s THR 72 N -0.83 1.17 -0.07 3.99 -4.23 0.05 -4.98 115.64 110.75 1rew s THR 72 Ca 0.13 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 1rew s THR 72 Cb -0.12 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 1rew s THR 72 CO 0.03 -0.55 -0.25 -0.22 -0.54 0.00 0.00 174.62 173.09 1rew s LEU 73 N -2.64 2.07 0.17 4.79 2.96 -1.26 -1.40 118.68 123.36 1rew s LEU 73 Ca 0.10 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1rew s LEU 73 Cb -0.02 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1rew s LEU 73 CO 0.01 0.22 0.16 0.00 -1.32 0.00 0.00 176.35 175.43 1rew s ALA 74 N -0.06 0.71 0.18 5.97 0.00 -0.51 -4.92 121.76 123.13 1rew s ALA 74 Ca -0.07 -1.39 -0.22 0.00 0.00 0.00 0.00 51.96 50.29 1rew s ALA 74 Cb -0.15 1.05 0.06 0.00 0.00 0.00 0.00 23.12 24.08 1rew s ALA 74 CO 0.05 -0.58 0.60 -1.54 0.00 0.00 0.00 175.76 174.29 1rew s SER 75 N -3.07 -0.48 0.00 0.00 1.04 -0.48 -0.32 113.70 110.39 1rew s SER 75 Ca 0.27 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1rew s SER 75 Cb 0.06 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1rew s SER 75 CO 0.05 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1rew n GLY 76 N -0.38 -0.58 3.52 7.32 0.00 -0.96 -0.72 105.19 113.39 1rew n GLY 76 Ca -0.14 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1rew n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rew s MET 78 N -0.64 2.38 0.72 0.00 0.00 0.53 -4.94 119.30 117.35 1rew s MET 78 Ca 0.10 -0.63 -0.14 0.00 0.00 0.00 0.00 55.69 55.02 1rew s MET 78 Cb -0.11 -1.93 0.03 0.00 0.00 0.00 0.00 34.83 32.81 1rew s MET 78 CO 0.01 0.01 1.12 -1.59 0.00 0.00 0.00 175.02 174.58 1rew s LYS 79 N 0.76 2.44 0.13 4.11 -2.85 -1.26 -0.80 119.74 122.27 1rew s LYS 79 Ca -0.11 1.40 -0.16 0.00 -1.00 0.00 0.00 55.97 56.10 1rew s LYS 79 Cb -0.16 -1.90 -0.01 0.00 -2.06 0.00 0.00 37.83 33.70 1rew s LYS 79 CO 0.02 -1.53 1.71 -0.92 0.10 0.00 0.00 175.35 174.72 1rew h TYR 80 N -0.44 0.56 -2.56 1.78 3.20 -1.89 -3.35 116.97 114.27 1rew h TYR 80 Ca -0.46 -0.03 -0.53 0.00 3.14 0.00 0.00 58.73 60.86 1rew h TYR 80 Cb 1.25 -0.17 0.04 0.00 1.54 0.00 0.00 36.73 39.39 1rew h TYR 80 CO 0.54 0.47 1.10 -2.00 -1.64 0.00 0.00 178.16 176.63 1rew s GLU 81 N -5.68 4.14 0.00 1.82 2.12 -1.26 -1.56 118.70 118.28 1rew s GLU 81 Ca -0.13 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.76 1rew s GLU 81 Cb 0.10 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1rew s GLU 81 CO 0.74 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 1rew n GLY 82 N 4.20 0.82 0.19 -1.50 0.00 -1.26 -4.91 105.19 102.72 1rew n GLY 82 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1rew n GLY 82 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rew h SER 83 N 0.00 0.00 -0.73 1.61 4.64 -1.42 -2.71 113.55 114.94 1rew h SER 83 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1rew h SER 83 Cb 0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1rew h SER 83 CO 0.00 0.37 0.48 -2.24 -0.87 0.00 0.00 176.83 174.57 1rew h ASP 84 N 0.00 0.82 -0.26 4.97 3.04 -1.91 0.53 116.42 123.61 1rew h ASP 84 Ca -0.00 -0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1rew h ASP 84 Cb 0.67 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.75 1rew h ASP 84 CO 0.05 0.59 0.16 -0.26 -2.04 0.00 0.00 179.24 177.74 1rew h PHE 85 N 0.97 0.35 -0.08 4.15 0.04 -1.90 -2.23 116.94 118.24 1rew h PHE 85 Ca 0.27 -0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.82 1rew h PHE 85 Cb -0.09 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 37.95 1rew h PHE 85 CO -0.02 0.27 -0.84 1.96 -0.60 0.00 0.00 178.31 179.08 1rew h GLN 86 N 0.33 0.62 0.00 1.51 4.20 -1.26 -0.73 115.11 119.78 1rew h GLN 86 Ca 0.09 -0.56 -0.09 0.00 0.06 0.00 0.00 58.65 58.16 1rew h GLN 86 Cb 0.03 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1rew h GLN 86 CO -0.02 1.17 -0.42 0.00 -0.67 0.00 0.00 178.83 178.89 1rew h LYS 88 N 0.00 0.44 -2.23 0.00 1.63 -1.29 -3.46 116.57 111.66 1rew h LYS 88 Ca -0.00 -0.52 0.26 0.00 -0.85 0.00 0.00 60.65 59.54 1rew h LYS 88 Cb 0.76 0.16 -0.08 0.00 -0.60 0.00 0.00 32.23 32.47 1rew h LYS 88 CO 0.05 1.18 -0.43 -3.47 -3.45 0.00 0.00 179.45 173.33 1rew n ASP 89 N -4.13 -5.89 -4.51 4.20 2.03 -0.29 -4.82 116.55 103.14 1rew n ASP 89 Ca -0.11 0.48 -0.34 0.00 0.52 0.00 0.00 54.79 55.34 1rew n ASP 89 Cb 0.75 -3.05 -0.12 0.00 -0.72 0.00 0.00 41.12 37.99 1rew n ASP 89 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1rew s SER 90 N -5.81 4.88 0.00 1.67 0.15 -1.26 -4.98 113.70 108.35 1rew s SER 90 Ca 0.00 -0.11 0.15 0.00 0.70 0.00 0.00 55.95 56.69 1rew s SER 90 Cb 0.00 -1.79 0.65 0.00 -1.71 0.00 0.00 66.02 63.17 1rew s SER 90 CO 0.00 0.17 1.46 -0.81 1.20 0.00 0.00 173.24 175.26 1rew n PRO 91 N 3.51 0.05 -0.14 5.44 -0.04 -1.26 -2.55 135.00 140.00 1rew n PRO 91 Ca -0.17 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1rew n PRO 91 Cb 0.52 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 1rew n PRO 91 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rew n LYS 92 N -1.45 2.10 -1.61 0.54 4.76 -1.26 -4.96 118.16 116.28 1rew n LYS 92 Ca 0.04 -1.67 -0.44 0.00 -2.87 0.00 0.00 58.31 53.37 1rew n LYS 92 Cb 0.16 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 1rew n LYS 92 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rew n ALA 93 N 0.89 0.02 -0.12 7.82 0.00 -1.06 -4.87 120.51 123.19 1rew n ALA 93 Ca 0.17 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.96 1rew n ALA 93 Cb 0.46 -2.06 0.17 0.00 0.00 0.00 0.00 19.45 18.02 1rew n ALA 93 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1rew h GLN 94 N 2.13 0.81 -5.87 0.00 4.20 -1.93 -3.43 115.11 111.03 1rew h GLN 94 Ca -0.41 -0.19 -0.64 0.00 0.06 0.00 0.00 58.65 57.47 1rew h GLN 94 Cb 1.33 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.94 1rew h GLN 94 CO 0.61 0.78 -0.51 -0.51 -0.67 0.00 0.00 178.83 178.52 1rew s LEU 95 N -9.25 4.25 0.10 1.46 1.43 -1.26 -5.06 118.68 110.35 1rew s LEU 95 Ca -0.10 0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.98 1rew s LEU 95 Cb 0.15 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 1rew s LEU 95 CO 0.81 0.26 1.61 -0.13 0.23 0.00 0.00 176.35 179.12 1rew s ARG 96 N -1.94 4.21 -0.05 1.70 0.52 -1.26 -4.94 118.95 117.19 1rew s ARG 96 Ca 0.27 2.32 -0.31 0.00 -0.52 0.00 0.00 55.73 57.50 1rew s ARG 96 Cb -0.12 -3.42 0.07 0.00 0.52 0.00 0.00 34.95 31.99 1rew s ARG 96 CO 0.18 -0.67 0.70 -0.98 0.02 0.00 0.00 175.30 174.55 1rew s ARG 97 N 2.03 1.04 -0.09 3.54 1.70 -1.26 -0.92 118.95 125.00 1rew s ARG 97 Ca 0.72 0.22 -0.01 0.00 -0.47 0.00 0.00 55.73 56.19 1rew s ARG 97 Cb -0.41 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1rew s ARG 97 CO 0.32 -0.33 -0.03 0.99 -1.08 0.00 0.00 175.30 175.16 1rew s THR 98 N -1.30 0.65 -0.07 4.99 2.01 -0.01 -4.62 115.64 117.30 1rew s THR 98 Ca -0.10 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1rew s THR 98 Cb -0.00 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 1rew s THR 98 CO 0.08 0.30 0.01 -0.51 -0.69 0.00 0.00 174.62 173.82 1rew s ILE 99 N 1.80 4.37 -0.02 1.82 2.07 -1.26 -1.16 121.20 128.82 1rew s ILE 99 Ca 0.04 -0.30 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 1rew s ILE 99 Cb -0.12 -2.87 -0.00 0.00 0.13 0.00 0.00 42.46 39.59 1rew s ILE 99 CO -0.06 0.55 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.79 1rew s GLU 100 N -1.08 1.14 0.21 3.50 2.02 -0.29 -4.96 118.70 119.24 1rew s GLU 100 Ca 0.15 -0.42 0.10 0.00 0.02 0.00 0.00 54.97 54.83 1rew s GLU 100 Cb -0.11 -1.06 -0.04 0.00 0.10 0.00 0.00 34.13 33.01 1rew s GLU 100 CO 0.05 0.20 -0.16 0.00 0.02 0.00 0.00 175.26 175.36 1rew n ARG 103 N -0.37 0.07 -4.09 0.00 0.63 -1.26 -0.71 116.66 110.93 1rew n ARG 103 Ca -0.09 -1.62 -0.26 0.00 -0.92 0.00 0.00 57.85 54.96 1rew n ARG 103 Cb 0.62 -0.29 -0.05 0.00 0.45 0.00 0.00 32.46 33.19 1rew n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1rew s THR 104 N -0.15 4.46 0.04 5.15 -4.23 -1.26 -5.04 115.64 114.61 1rew s THR 104 Ca 0.20 -1.13 -0.37 0.00 -1.18 0.00 0.00 61.69 59.21 1rew s THR 104 Cb 0.22 -3.29 -0.16 0.00 1.34 0.00 0.00 72.50 70.60 1rew s THR 104 CO -0.09 -0.14 1.42 0.59 -0.54 0.00 0.00 174.62 175.86 1rew n ASN 105 N -0.44 1.85 -0.55 3.99 3.02 -1.26 -1.42 115.26 120.45 1rew n ASN 105 Ca -0.08 1.11 -0.07 0.00 -0.03 0.00 0.00 54.58 55.51 1rew n ASN 105 Cb 0.55 -1.20 -0.03 0.00 -0.61 0.00 0.00 39.78 38.49 1rew n ASN 105 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rew n LEU 106 N 3.02 -0.22 0.32 3.41 4.77 0.25 -4.81 117.00 123.74 1rew n LEU 106 Ca 0.19 0.18 0.21 0.00 -0.03 0.00 0.00 56.01 56.57 1rew n LEU 106 Cb 0.19 -1.90 1.09 0.00 -2.33 0.00 0.00 43.42 40.47 1rew n LEU 106 CO 0.65 -0.67 1.14 0.00 -1.33 0.00 0.00 177.39 177.18 1rew n ASN 108 N -3.11 0.56 -0.32 0.00 6.94 -1.26 -4.52 115.26 113.55 1rew n ASN 108 Ca -0.02 -0.71 -0.07 0.00 -0.02 0.00 0.00 54.58 53.76 1rew n ASN 108 Cb 0.13 -0.05 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1rew n ASN 108 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1rew n GLN 109 N -0.84 -0.31 -0.32 -3.83 7.27 -0.17 -1.88 117.38 117.30 1rew n GLN 109 Ca 0.15 1.17 0.08 0.00 0.07 0.00 0.00 57.00 58.48 1rew n GLN 109 Cb 0.28 -1.73 0.15 0.00 2.41 0.00 0.00 30.24 31.35 1rew n GLN 109 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1rew n TYR 110 N -5.00 0.00 -2.16 3.69 4.01 -1.26 -5.01 117.16 111.44 1rew n TYR 110 Ca 0.03 -1.09 -0.43 0.00 -0.16 0.00 0.00 57.90 56.25 1rew n TYR 110 Cb 0.22 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1rew n TYR 110 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1rew s LEU 111 N -2.73 4.22 -0.46 7.72 2.96 -0.79 -4.97 118.68 124.62 1rew s LEU 111 Ca 0.32 1.98 0.03 0.00 -0.22 0.00 0.00 54.13 56.24 1rew s LEU 111 Cb 0.30 -3.53 0.15 0.00 0.50 0.00 0.00 46.19 43.60 1rew s LEU 111 CO -0.01 -0.91 0.29 -1.58 -1.32 0.00 0.00 176.35 172.81 1rew s GLN 112 N 3.94 1.34 1.01 1.98 0.74 -1.26 -4.91 119.66 122.51 1rew s GLN 112 Ca 0.67 -2.15 -0.15 0.00 0.05 0.00 0.00 55.36 53.77 1rew s GLN 112 Cb -0.28 -2.28 0.05 0.00 1.10 0.00 0.00 33.01 31.60 1rew s GLN 112 CO 0.25 -1.21 0.21 -2.30 -0.55 0.00 0.00 175.29 171.68 1rew n PRO 113 N 3.27 -0.76 -4.34 1.67 -0.02 -1.26 -5.04 135.00 128.50 1rew n PRO 113 Ca 0.13 -0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.08 1rew n PRO 113 Cb 0.37 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 1rew n PRO 113 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rew s THR 114 N -2.32 4.25 0.60 3.45 2.01 -1.26 -4.90 115.64 117.46 1rew s THR 114 Ca 0.56 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 1rew s THR 114 Cb -0.17 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1rew s THR 114 CO 0.67 0.56 1.10 -0.76 -0.69 0.00 0.00 174.62 175.50 1rew s LEU 115 N -0.41 3.56 0.41 4.42 1.43 -1.26 -4.73 118.68 122.10 1rew s LEU 115 Ca 0.08 2.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.93 1rew s LEU 115 Cb -0.12 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.46 1rew s LEU 115 CO 0.02 -1.34 1.25 -2.16 0.23 0.00 0.00 176.35 174.35 1rew s PRO 116 N -3.77 3.97 0.56 1.29 0.04 -1.26 -4.91 135.00 130.91 1rew s PRO 116 Ca 0.68 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.58 1rew s PRO 116 Cb -0.20 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 1rew s PRO 116 CO 0.34 -0.46 0.57 -2.30 0.04 0.00 0.00 177.00 175.19 1rew n PRO 117 N 0.06 0.56 -1.93 0.56 -0.02 -1.26 -4.87 135.00 128.09 1rew n PRO 117 Ca 0.04 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1rew n PRO 117 Cb 0.45 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 1rew n PRO 117 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rew s VAL 118 N -1.68 3.21 0.24 -1.45 1.01 -1.26 -4.96 120.40 115.51 1rew s VAL 118 Ca 0.69 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1rew s VAL 118 Cb -0.45 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1rew s VAL 118 CO 0.54 -0.02 1.47 -0.69 0.00 0.00 0.00 175.10 176.39 1rew s VAL 119 N 3.22 2.61 0.00 2.92 1.01 -1.26 -5.29 120.40 123.61 1rew s VAL 119 Ca 0.75 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1rew s VAL 119 Cb -0.38 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1rew s VAL 119 CO 0.32 0.08 0.33 -0.38 0.00 0.00 0.00 175.10 175.45