#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 3.92 0.30 3.22 1.43 -1.26 -4.78 118.68 121.51 1rew s LEU 33 Ca 0.00 2.53 -0.29 0.00 -1.03 0.00 0.00 54.13 55.33 1rew s LEU 33 Cb 0.00 -4.28 -0.11 0.00 0.03 0.00 0.00 46.19 41.84 1rew s LEU 33 CO 0.00 -1.27 1.47 -2.16 0.23 0.00 0.00 176.35 174.63 1rew s PRO 34 N -2.83 4.20 0.00 1.29 0.04 -1.26 -4.59 135.00 131.85 1rew s PRO 34 Ca 0.68 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.15 1rew s PRO 34 Cb -0.34 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1rew s PRO 34 CO 0.41 -0.47 0.17 1.97 0.04 0.00 0.00 177.00 179.12 1rew n PHE 35 N 1.64 0.00 -5.25 0.56 1.16 -0.72 -4.85 117.46 110.00 1rew n PHE 35 Ca 0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.32 1rew n PHE 35 Cb 0.39 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.10 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 -0.13 2.06 -0.12 5.98 2.96 -0.63 -5.00 118.68 123.81 1rew s LEU 36 Ca 0.00 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1rew s LEU 36 Cb 0.00 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1rew s LEU 36 CO 0.00 0.24 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.48 1rew s LYS 37 N -0.17 3.31 0.12 1.98 2.20 -1.26 -1.11 119.74 124.80 1rew s LYS 37 Ca -0.03 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.12 1rew s LYS 37 Cb -0.14 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 1rew s LYS 37 CO 0.03 0.42 -0.13 0.00 -0.36 0.00 0.00 175.35 175.32 1rew s TYR 39 N -2.21 2.99 0.00 0.00 5.04 -1.26 -0.94 117.35 120.97 1rew s TYR 39 Ca 0.08 1.58 -0.02 0.00 -2.44 0.00 0.00 57.07 56.27 1rew s TYR 39 Cb -0.04 -3.09 -0.01 0.00 0.35 0.00 0.00 41.96 39.17 1rew s TYR 39 CO 0.02 -0.87 0.03 0.00 -1.34 0.00 0.00 175.55 173.39 1rew s SER 41 N -0.93 -0.96 0.00 0.00 0.15 -0.09 -4.72 113.70 107.16 1rew s SER 41 Ca -0.10 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1rew s SER 41 Cb -0.06 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 1rew s SER 41 CO -0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1rew n GLY 42 N 5.24 2.68 0.32 9.45 0.00 -1.26 -1.28 105.19 120.34 1rew n GLY 42 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.66 0.00 -2.20 1.61 8.25 -1.24 -5.01 115.22 115.97 1rew n HIS 43 Ca 0.00 -1.15 -0.40 0.00 -0.26 0.00 0.00 57.72 55.91 1rew n HIS 43 Cb 0.00 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.86 2.37 0.54 0.00 0.04 -1.26 -4.92 135.00 129.91 1rew s PRO 45 Ca 0.50 1.63 0.27 0.00 0.04 0.00 0.00 61.00 63.44 1rew s PRO 45 Cb -0.37 -1.87 1.44 0.00 0.04 0.00 0.00 34.50 33.74 1rew s PRO 45 CO 0.48 -1.63 1.96 0.22 0.04 0.00 0.00 177.00 178.07 1rew h ASP 46 N -0.18 0.00 -0.92 6.66 3.58 -2.01 -1.15 116.42 122.40 1rew h ASP 46 Ca -0.47 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.40 1rew h ASP 46 Cb 1.28 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.92 1rew h ASP 46 CO 0.51 0.00 -0.55 -0.90 -2.88 0.00 0.00 179.24 175.42 1rew n ASP 47 N -4.26 5.31 -4.76 2.28 5.68 -1.26 -5.04 116.55 114.51 1rew n ASP 47 Ca 0.11 -3.75 -0.34 0.00 -0.50 0.00 0.00 54.79 50.31 1rew n ASP 47 Cb 0.69 -0.45 0.04 0.00 -1.14 0.00 0.00 41.12 40.26 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 -3.63 2.47 -0.12 2.12 0.00 -0.44 -5.04 121.76 117.11 1rew s ALA 48 Ca 0.52 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1rew s ALA 48 Cb 0.42 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 20.16 1rew s ALA 48 CO -0.01 -1.26 -0.22 0.42 0.00 0.00 0.00 175.76 174.70 1rew s ILE 49 N -1.97 1.96 -1.42 0.00 -1.09 -1.17 -4.72 121.20 112.78 1rew s ILE 49 Ca 0.72 -0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 58.08 1rew s ILE 49 Cb -0.25 -1.73 0.10 0.00 -1.58 0.00 0.00 42.46 39.00 1rew s ILE 49 CO 0.37 0.53 0.63 -3.20 -1.23 0.00 0.00 174.94 172.04 1rew n ASN 50 N 3.88 -3.68 -2.35 3.58 5.15 -1.26 -1.10 115.26 119.48 1rew n ASN 50 Ca -0.20 -0.61 -0.17 0.00 -0.60 0.00 0.00 54.58 53.00 1rew n ASN 50 Cb 0.52 -3.02 0.03 0.00 -0.53 0.00 0.00 39.78 36.78 1rew n ASN 50 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1rew n ASN 51 N -2.44 -5.03 -4.34 1.20 3.02 -1.26 -5.01 115.26 101.39 1rew n ASN 51 Ca 0.02 -0.23 -0.18 0.00 -0.03 0.00 0.00 54.58 54.17 1rew n ASN 51 Cb 0.52 -3.87 -0.10 0.00 -0.61 0.00 0.00 39.78 35.72 1rew n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rew s THR 52 N -3.03 1.51 0.17 3.41 -4.23 -0.26 -1.18 115.64 112.02 1rew s THR 52 Ca 0.24 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1rew s THR 52 Cb -0.11 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 1rew s THR 52 CO 0.29 -0.54 0.14 0.00 -0.54 0.00 0.00 174.62 173.98 1rew s ILE 54 N -4.08 2.10 0.18 0.00 -4.36 -1.26 -0.51 121.20 113.27 1rew s ILE 54 Ca 0.29 -1.91 -0.23 0.00 -0.26 0.00 0.00 60.65 58.54 1rew s ILE 54 Cb 0.06 -1.96 0.06 0.00 1.25 0.00 0.00 42.46 41.88 1rew s ILE 54 CO 0.06 -0.15 0.64 0.28 0.24 0.00 0.00 174.94 176.00 1rew s THR 55 N -1.67 0.00 -2.60 8.37 -1.32 -0.27 -4.97 115.64 113.17 1rew s THR 55 Ca 0.17 -0.22 0.24 0.00 -1.21 0.00 0.00 61.69 60.67 1rew s THR 55 Cb -0.08 -1.22 0.37 0.00 -1.51 0.00 0.00 72.50 70.07 1rew s THR 55 CO 0.08 0.00 1.38 -0.46 -2.21 0.00 0.00 174.62 173.41 1rew n ASN 56 N -0.39 3.33 0.00 8.08 6.94 -1.26 -1.61 115.26 130.34 1rew n ASN 56 Ca -0.14 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 1rew n ASN 56 Cb 0.64 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 1.47 0.44 3.07 4.83 0.00 -1.22 -4.36 105.19 109.42 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 1.17 0.34 0.30 1.61 3.76 -0.09 -4.85 115.29 117.54 1rew s HIS 58 Ca 0.00 -0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 54.01 1rew s HIS 58 Cb 0.00 -0.25 -0.09 0.00 1.11 0.00 0.00 32.58 33.35 1rew s HIS 58 CO 0.00 -0.32 0.74 0.00 -0.85 0.00 0.00 174.74 174.31 1rew s PHE 60 N -1.89 0.89 0.04 0.00 -0.12 -0.34 -1.06 117.98 115.50 1rew s PHE 60 Ca 0.52 -0.87 0.03 0.00 -0.05 0.00 0.00 56.93 56.56 1rew s PHE 60 Cb -0.12 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.74 1rew s PHE 60 CO 0.18 -0.13 -0.10 0.00 -0.05 0.00 0.00 175.22 175.12 1rew s ALA 61 N -3.38 0.76 -0.03 1.99 0.00 -0.54 -2.49 121.76 118.07 1rew s ALA 61 Ca 0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1rew s ALA 61 Cb 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1rew s ALA 61 CO -0.04 0.08 0.07 -1.50 0.00 0.00 0.00 175.76 174.38 1rew s ILE 62 N -1.01 -0.02 -0.12 0.00 2.07 0.27 -1.17 121.20 121.22 1rew s ILE 62 Ca -0.04 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1rew s ILE 62 Cb -0.08 -0.12 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 1rew s ILE 62 CO 0.01 0.03 -0.01 -0.51 -1.91 0.00 0.00 174.94 172.55 1rew s ILE 63 N 0.44 4.21 -0.00 2.00 2.07 -0.75 -1.08 121.20 128.08 1rew s ILE 63 Ca -0.03 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 1rew s ILE 63 Cb -0.05 -2.81 0.00 0.00 0.13 0.00 0.00 42.46 39.73 1rew s ILE 63 CO -0.02 0.55 -0.02 -1.83 -1.91 0.00 0.00 174.94 171.71 1rew s GLU 64 N -0.27 0.20 -0.20 3.50 -1.05 -0.27 -1.67 118.70 118.94 1rew s GLU 64 Ca 0.06 -0.07 -0.06 0.00 -0.15 0.00 0.00 54.97 54.75 1rew s GLU 64 Cb -0.12 -0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.32 1rew s GLU 64 CO 0.02 0.03 0.02 -2.00 0.95 0.00 0.00 175.26 174.29 1rew s GLU 65 N 0.06 3.71 0.32 -4.83 2.12 -0.43 -0.84 118.70 118.82 1rew s GLU 65 Ca -0.00 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1rew s GLU 65 Cb -0.02 -3.14 0.07 0.00 0.26 0.00 0.00 34.13 31.30 1rew s GLU 65 CO -0.00 0.06 0.44 -0.40 -0.54 0.00 0.00 175.26 174.81 1rew n ASP 66 N 4.14 0.21 0.20 -1.70 5.68 -0.48 -4.15 116.55 120.45 1rew n ASP 66 Ca -0.17 -1.27 0.15 0.00 -0.50 0.00 0.00 54.79 53.00 1rew n ASP 66 Cb 0.52 -0.32 0.66 0.00 -1.14 0.00 0.00 41.12 40.85 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 -0.48 0.00 0.36 -1.12 3.32 -2.00 -3.04 116.42 113.46 1rew h ASP 67 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1rew h ASP 67 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1rew h ASP 67 CO 0.12 0.00 -0.91 0.00 -1.72 0.00 0.00 179.24 176.73 1rew n GLN 68 N -2.56 0.17 0.00 3.56 1.13 -1.26 -4.94 117.38 113.47 1rew n GLN 68 Ca 0.00 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1rew n GLN 68 Cb 0.18 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.98 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 1.42 0.61 3.76 1.08 0.00 -1.15 -5.09 105.19 105.83 1rew n GLY 69 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1rew n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rew s GLU 70 N -0.78 4.71 0.16 1.61 0.41 -1.26 -4.89 118.70 118.65 1rew s GLU 70 Ca 0.00 1.33 0.08 0.00 -0.41 0.00 0.00 54.97 55.97 1rew s GLU 70 Cb 0.00 -3.23 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 1rew s GLU 70 CO 0.00 0.52 -0.09 0.95 -0.49 0.00 0.00 175.26 176.15 1rew s THR 71 N -1.21 3.27 0.10 3.63 -4.23 -1.26 -1.38 115.64 114.55 1rew s THR 71 Ca 0.40 -1.54 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1rew s THR 71 Cb -0.24 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 1rew s THR 71 CO 0.29 -0.05 -0.12 0.42 -0.54 0.00 0.00 174.62 174.61 1rew s THR 72 N -1.57 1.11 -0.05 3.99 -4.23 -0.02 -4.96 115.64 109.91 1rew s THR 72 Ca 0.24 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1rew s THR 72 Cb -0.09 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 1rew s THR 72 CO 0.15 -0.42 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.42 1rew s LEU 73 N -2.24 2.57 0.14 4.79 2.96 -1.26 -1.12 118.68 124.53 1rew s LEU 73 Ca 0.04 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 1rew s LEU 73 Cb -0.06 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1rew s LEU 73 CO 0.02 0.33 0.21 0.00 -1.32 0.00 0.00 176.35 175.59 1rew s ALA 74 N -0.65 0.16 0.17 5.97 0.00 -0.24 -4.90 121.76 122.27 1rew s ALA 74 Ca 0.10 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 1rew s ALA 74 Cb -0.11 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.82 1rew s ALA 74 CO 0.00 -0.58 0.51 -1.54 0.00 0.00 0.00 175.76 174.15 1rew s SER 75 N -2.96 -0.30 0.00 0.00 1.04 -0.40 -0.57 113.70 110.50 1rew s SER 75 Ca 0.16 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1rew s SER 75 Cb 0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1rew s SER 75 CO -0.02 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1rew n GLY 76 N -0.32 -0.57 3.65 7.32 0.00 -1.04 -0.91 105.19 113.32 1rew n GLY 76 Ca -0.12 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.34 1.90 0.78 0.00 0.00 0.18 -4.95 119.30 115.86 1rew s MET 78 Ca 0.17 -0.46 -0.12 0.00 0.00 0.00 0.00 55.69 55.28 1rew s MET 78 Cb -0.11 -1.61 0.06 0.00 0.00 0.00 0.00 34.83 33.17 1rew s MET 78 CO 0.07 -0.02 1.12 -1.59 0.00 0.00 0.00 175.02 174.60 1rew s LYS 79 N 0.85 2.09 0.11 4.11 -2.85 -1.26 -0.91 119.74 121.87 1rew s LYS 79 Ca -0.11 1.35 -0.18 0.00 -1.00 0.00 0.00 55.97 56.04 1rew s LYS 79 Cb -0.15 -1.87 -0.05 0.00 -2.06 0.00 0.00 37.83 33.70 1rew s LYS 79 CO 0.01 -1.79 1.61 -0.92 0.10 0.00 0.00 175.35 174.36 1rew h TYR 80 N -0.97 0.50 -2.43 1.78 3.20 -1.89 -3.35 116.97 113.80 1rew h TYR 80 Ca -0.44 -0.06 -0.54 0.00 3.14 0.00 0.00 58.73 60.83 1rew h TYR 80 Cb 1.25 -0.14 0.04 0.00 1.54 0.00 0.00 36.73 39.42 1rew h TYR 80 CO 0.55 0.53 1.08 -1.91 -1.64 0.00 0.00 178.16 176.77 1rew n GLU 81 N -4.67 2.69 -0.92 1.82 2.13 -1.26 -1.34 120.64 119.09 1rew n GLU 81 Ca -0.02 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1rew n GLU 81 Cb 0.18 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.03 1rew n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rew n GLY 82 N 4.17 1.12 0.24 8.31 0.00 -1.26 -4.90 105.19 112.87 1rew n GLY 82 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.55 1.61 4.64 -1.35 -2.61 113.55 115.29 1rew h SER 83 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1rew h SER 83 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1rew h SER 83 CO 0.00 0.18 0.09 -2.24 -0.87 0.00 0.00 176.83 173.99 1rew h ASP 84 N 0.00 0.88 -0.47 4.97 2.03 -1.91 -0.02 116.42 121.90 1rew h ASP 84 Ca -0.00 -0.26 0.04 0.00 -0.73 0.00 0.00 57.03 56.08 1rew h ASP 84 Cb 0.56 -0.23 -0.04 0.00 -0.83 0.00 0.00 39.33 38.79 1rew h ASP 84 CO 0.02 0.92 0.24 -0.26 -1.03 0.00 0.00 179.24 179.13 1rew h PHE 85 N 0.80 0.43 0.05 4.15 0.04 -1.88 -2.27 116.94 118.26 1rew h PHE 85 Ca 0.17 0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.68 1rew h PHE 85 Cb 0.41 -0.13 0.02 0.00 2.20 0.00 0.00 35.95 38.46 1rew h PHE 85 CO 0.03 0.22 -1.12 1.96 -0.60 0.00 0.00 178.31 178.80 1rew h GLN 86 N 0.47 0.65 -0.19 1.51 4.20 -1.30 -0.42 115.11 120.02 1rew h GLN 86 Ca 0.21 -0.76 -0.09 0.00 0.06 0.00 0.00 58.65 58.06 1rew h GLN 86 Cb 0.11 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1rew h GLN 86 CO -0.15 1.33 -0.27 0.00 -0.67 0.00 0.00 178.83 179.08 1rew h LYS 88 N 0.33 0.40 -1.71 0.00 1.79 -1.37 -3.45 116.57 112.56 1rew h LYS 88 Ca 0.05 -0.38 0.19 0.00 -2.18 0.00 0.00 60.65 58.33 1rew h LYS 88 Cb 0.65 0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.33 1rew h LYS 88 CO 0.05 1.04 -0.40 -3.47 -1.08 0.00 0.00 179.45 175.58 1rew n ASP 89 N -4.29 -4.46 -4.62 0.86 2.03 -0.17 -4.81 116.55 101.09 1rew n ASP 89 Ca -0.09 0.46 -0.35 0.00 0.52 0.00 0.00 54.79 55.33 1rew n ASP 89 Cb 0.61 -2.36 -0.10 0.00 -0.72 0.00 0.00 41.12 38.55 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 -5.66 5.58 0.00 1.67 0.15 -1.26 -4.97 113.70 109.20 1rew s SER 90 Ca 0.00 0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.89 1rew s SER 90 Cb 0.00 -1.96 0.88 0.00 -1.71 0.00 0.00 66.02 63.23 1rew s SER 90 CO 0.00 0.17 1.57 -0.81 1.20 0.00 0.00 173.24 175.36 1rew n PRO 91 N 3.59 0.18 -0.15 5.44 -0.04 -1.26 -2.37 135.00 140.39 1rew n PRO 91 Ca -0.17 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 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 -1.35 2.05 -1.67 0.54 4.76 -1.26 -4.97 118.16 116.26 1rew n LYS 92 Ca 0.07 -1.60 -0.42 0.00 -2.87 0.00 0.00 58.31 53.49 1rew n LYS 92 Cb 0.17 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 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 0.81 0.85 0.11 7.82 0.00 -1.00 -4.89 120.51 124.22 1rew n ALA 93 Ca 0.17 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.89 1rew n ALA 93 Cb 0.43 -2.19 0.17 0.00 0.00 0.00 0.00 19.45 17.86 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 2.14 0.13 -5.68 0.00 1.08 -1.93 -3.43 115.11 107.42 1rew h GLN 94 Ca -0.45 -0.09 -0.65 0.00 -1.45 0.00 0.00 58.65 56.01 1rew h GLN 94 Cb 1.31 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.67 1rew h GLN 94 CO 0.60 0.67 -0.41 -0.51 -0.95 0.00 0.00 178.83 178.22 1rew s LEU 95 N -7.87 4.39 -0.02 1.46 1.43 -1.26 -5.06 118.68 111.75 1rew s LEU 95 Ca -0.03 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 1rew s LEU 95 Cb 0.13 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1rew s LEU 95 CO 0.78 0.36 1.44 -0.13 0.23 0.00 0.00 176.35 179.02 1rew s ARG 96 N -0.85 4.26 0.03 1.70 0.52 -1.26 -4.95 118.95 118.40 1rew s ARG 96 Ca 0.16 1.99 -0.28 0.00 -0.52 0.00 0.00 55.73 57.09 1rew s ARG 96 Cb -0.13 -3.66 0.08 0.00 0.52 0.00 0.00 34.95 31.76 1rew s ARG 96 CO 0.05 -0.64 0.69 -0.98 0.02 0.00 0.00 175.30 174.44 1rew s ARG 97 N 2.79 1.09 -0.05 3.54 1.70 -1.26 -1.31 118.95 125.45 1rew s ARG 97 Ca 0.65 -0.07 -0.02 0.00 -0.47 0.00 0.00 55.73 55.82 1rew s ARG 97 Cb -0.31 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1rew s ARG 97 CO 0.26 -0.41 0.04 0.99 -1.08 0.00 0.00 175.30 175.10 1rew s THR 98 N -2.31 0.04 0.02 4.99 2.01 -0.67 -4.70 115.64 115.02 1rew s THR 98 Ca -0.05 0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1rew s THR 98 Cb -0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1rew s THR 98 CO -0.01 0.20 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.54 1rew s ILE 99 N 2.01 3.60 -0.01 1.82 2.07 -1.26 -1.81 121.20 127.62 1rew s ILE 99 Ca 0.04 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 1rew s ILE 99 Cb -0.12 -2.59 0.01 0.00 0.13 0.00 0.00 42.46 39.89 1rew s ILE 99 CO -0.04 0.35 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.71 1rew s GLU 100 N -1.55 0.28 0.16 3.50 2.02 -0.31 -4.95 118.70 117.85 1rew s GLU 100 Ca 0.18 -0.06 0.10 0.00 0.02 0.00 0.00 54.97 55.21 1rew s GLU 100 Cb -0.11 -0.32 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 1rew s GLU 100 CO 0.09 0.01 -0.23 0.00 0.02 0.00 0.00 175.26 175.15 1rew n ARG 103 N -0.33 0.42 -4.29 0.00 5.12 -1.26 -1.17 116.66 115.14 1rew n ARG 103 Ca -0.05 -1.95 -0.30 0.00 -1.93 0.00 0.00 57.85 53.62 1rew n ARG 103 Cb 0.62 -0.62 -0.10 0.00 -1.16 0.00 0.00 32.46 31.19 1rew n ARG 103 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1rew s THR 104 N -0.90 3.21 -0.19 0.55 -4.23 -1.26 -5.06 115.64 107.76 1rew s THR 104 Ca 0.23 -1.29 -0.37 0.00 -1.18 0.00 0.00 61.69 59.08 1rew s THR 104 Cb 0.24 -2.48 -0.13 0.00 1.34 0.00 0.00 72.50 71.47 1rew s THR 104 CO -0.07 0.14 1.85 0.59 -0.54 0.00 0.00 174.62 176.60 1rew n ASN 105 N 0.84 2.93 0.00 3.99 3.02 -1.26 0.06 115.26 124.84 1rew n ASN 105 Ca -0.14 0.97 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 1rew n ASN 105 Cb 0.52 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 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 6.41 0.00 -0.49 3.41 4.77 0.92 -4.91 117.00 127.11 1rew n LEU 106 Ca 0.26 0.00 0.40 0.00 -0.03 0.00 0.00 56.01 56.64 1rew n LEU 106 Cb 0.22 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.98 1rew n LEU 106 CO 0.77 0.00 1.20 0.00 -1.33 0.00 0.00 177.39 178.02 1rew n ASN 108 N -4.41 0.15 -0.22 0.00 6.94 -1.26 -4.33 115.26 112.14 1rew n ASN 108 Ca 0.39 -0.61 -0.01 0.00 -0.02 0.00 0.00 54.58 54.32 1rew n ASN 108 Cb 1.56 -0.12 0.10 0.00 -2.36 0.00 0.00 39.78 38.95 1rew n ASN 108 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1rew h GLN 109 N 0.20 0.58 -0.18 -3.83 4.15 0.13 -2.71 115.11 113.45 1rew h GLN 109 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1rew h GLN 109 Cb 0.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1rew h GLN 109 CO 0.00 0.38 0.00 0.66 -1.93 0.00 0.00 178.83 177.94 1rew n TYR 110 N -4.85 0.37 -2.05 3.99 0.53 -1.26 -4.99 117.16 108.89 1rew n TYR 110 Ca 0.08 -0.66 -0.42 0.00 -1.02 0.00 0.00 57.90 55.88 1rew n TYR 110 Cb 0.20 -0.11 -0.03 0.00 -1.03 0.00 0.00 39.34 38.36 1rew n TYR 110 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1rew s LEU 111 N -1.68 4.36 -0.47 7.72 2.96 -1.02 -4.97 118.68 125.58 1rew s LEU 111 Ca 0.22 2.43 0.06 0.00 -0.22 0.00 0.00 54.13 56.62 1rew s LEU 111 Cb 0.16 -3.58 0.21 0.00 0.50 0.00 0.00 46.19 43.48 1rew s LEU 111 CO 0.08 -0.76 0.47 1.67 -1.32 0.00 0.00 176.35 176.49 1rew n GLN 112 N 4.42 0.86 -0.67 1.98 7.27 -1.26 -4.89 117.38 125.09 1rew n GLN 112 Ca 0.13 -3.53 -0.30 0.00 0.07 0.00 0.00 57.00 53.37 1rew n GLN 112 Cb 0.41 -1.65 0.19 0.00 2.41 0.00 0.00 30.24 31.59 1rew n GLN 112 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1rew s PRO 113 N -0.88 0.58 0.05 3.69 0.04 -1.26 -5.02 135.00 132.19 1rew s PRO 113 Ca 0.34 1.38 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1rew s PRO 113 Cb 0.09 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 1rew s PRO 113 CO -0.14 -2.88 -0.22 0.95 0.04 0.00 0.00 177.00 174.75 1rew s THR 114 N -2.61 1.79 0.48 1.26 -4.23 -1.26 -4.61 115.64 106.46 1rew s THR 114 Ca 0.67 -1.28 -0.22 0.00 -1.18 0.00 0.00 61.69 59.68 1rew s THR 114 Cb -0.23 -1.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.97 1rew s THR 114 CO 0.59 0.22 1.03 0.18 -0.54 0.00 0.00 174.62 176.10 1rew n LEU 115 N 1.76 3.16 -4.72 4.79 4.77 -1.26 -4.59 117.00 120.90 1rew n LEU 115 Ca -0.17 0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 56.35 1rew n LEU 115 Cb 0.53 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 1rew n LEU 115 CO 0.23 -1.50 1.24 -2.16 -1.33 0.00 0.00 177.39 173.87 1rew s PRO 116 N -2.29 4.20 0.00 3.23 0.04 -1.26 -5.04 135.00 133.88 1rew s PRO 116 Ca 0.67 2.39 0.30 0.00 0.04 0.00 0.00 61.00 64.40 1rew s PRO 116 Cb -0.50 -3.14 1.77 0.00 0.04 0.00 0.00 34.50 32.68 1rew s PRO 116 CO 0.54 -0.62 2.11 -0.35 0.04 0.00 0.00 177.00 178.72