#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri0 s SER 2 N 0.00 5.53 0.40 7.83 0.01 -1.26 -5.10 113.70 121.11 1ri0 s SER 2 Ca 0.00 -0.31 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 1ri0 s SER 2 Cb 0.00 -1.27 -0.10 0.00 0.21 0.00 0.00 66.02 64.87 1ri0 s SER 2 CO 0.00 -0.19 0.99 0.00 0.41 0.00 0.00 173.24 174.45 1ri0 s ARG 3 N -3.93 4.24 0.11 12.44 3.03 -1.26 -5.06 118.95 128.51 1ri0 s ARG 3 Ca 0.37 1.33 0.08 0.00 2.03 0.00 0.00 55.73 59.53 1ri0 s ARG 3 Cb -0.07 -2.43 -0.04 0.00 -1.03 0.00 0.00 34.95 31.38 1ri0 s ARG 3 CO 0.26 -0.04 -0.13 -1.12 -1.13 0.00 0.00 175.30 173.13 1ri0 s SER 4 N -1.82 4.18 0.50 -2.89 0.01 -1.26 -5.14 113.70 107.28 1ri0 s SER 4 Ca 0.59 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1ri0 s SER 4 Cb -0.16 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.37 1ri0 s SER 4 CO 0.21 0.18 0.39 0.54 0.41 0.00 0.00 173.24 174.97 1ri0 s ASN 5 N -2.15 4.71 1.00 2.44 4.22 -1.26 -5.14 114.94 118.77 1ri0 s ASN 5 Ca 0.20 -1.11 -0.14 0.00 -2.14 0.00 0.00 52.86 49.66 1ri0 s ASN 5 Cb -0.11 0.11 0.20 0.00 1.28 0.00 0.00 41.25 42.73 1ri0 s ASN 5 CO 0.12 -0.96 1.15 -2.11 -2.04 0.00 0.00 177.10 173.26 1ri0 n ARG 6 N -1.68 -1.15 -0.07 3.55 0.00 -1.26 -5.04 116.66 111.00 1ri0 n ARG 6 Ca 0.00 -1.77 -0.11 0.00 -0.00 0.00 0.00 57.85 55.97 1ri0 n ARG 6 Cb 0.64 -1.19 -0.06 0.00 -0.00 0.00 0.00 32.46 31.84 1ri0 n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ri0 n GLN 7 N -3.45 0.35 0.00 2.89 0.00 -1.26 -4.93 117.38 110.98 1ri0 n GLN 7 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.24 1ri0 n GLN 7 Cb 0.50 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.50 1ri0 n GLN 7 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ri0 n LYS 8 N -3.07 0.00 -1.63 2.61 0.00 -1.26 -5.02 118.16 109.79 1ri0 n LYS 8 Ca -0.26 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.68 1ri0 n LYS 8 Cb 0.76 -0.46 -0.03 0.00 -0.00 0.00 0.00 35.03 35.30 1ri0 n LYS 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1ri0 s GLU 9 N -1.00 2.24 -0.11 -1.58 -1.05 -1.26 -4.92 118.70 111.02 1ri0 s GLU 9 Ca 0.00 1.34 0.04 0.00 -0.15 0.00 0.00 54.97 56.19 1ri0 s GLU 9 Cb 0.00 -4.54 0.00 0.00 -0.44 0.00 0.00 34.13 29.15 1ri0 s GLU 9 CO 0.00 -3.13 -0.23 1.52 0.95 0.00 0.00 175.26 174.36 1ri0 s TYR 10 N 11.53 2.58 0.41 4.83 1.13 -1.26 -4.73 117.35 131.85 1ri0 s TYR 10 Ca 0.93 -1.08 0.04 0.00 -1.41 0.00 0.00 57.07 55.55 1ri0 s TYR 10 Cb -0.17 -1.73 -0.02 0.00 -1.10 0.00 0.00 41.96 38.94 1ri0 s TYR 10 CO 0.26 -0.44 0.14 -1.59 -2.51 0.00 0.00 175.55 171.41 1ri0 s LYS 11 N 0.41 1.95 0.33 -3.49 -2.85 -1.26 -5.04 119.74 109.79 1ri0 s LYS 11 Ca -0.17 -2.20 -0.25 0.00 -1.00 0.00 0.00 55.97 52.35 1ri0 s LYS 11 Cb -0.18 -0.55 -0.14 0.00 -2.06 0.00 0.00 37.83 34.91 1ri0 s LYS 11 CO 0.07 -0.51 0.66 0.00 0.10 0.00 0.00 175.35 175.66 1ri0 n GLY 13 N 1.69 0.76 3.89 0.00 0.00 -1.26 -5.04 105.19 105.22 1ri0 n GLY 13 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1ri0 n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ri0 s ASP 14 N -2.78 6.52 -0.01 1.61 2.15 -0.39 -4.96 116.67 118.81 1ri0 s ASP 14 Ca 0.00 0.60 0.07 0.00 0.43 0.00 0.00 52.55 53.65 1ri0 s ASP 14 Cb 0.00 -2.10 -0.02 0.00 -0.30 0.00 0.00 42.92 40.50 1ri0 s ASP 14 CO 0.00 0.16 -0.23 -0.22 -0.17 0.00 0.00 175.17 174.71 1ri0 s LEU 15 N -2.15 2.06 0.00 -1.34 2.96 -1.26 -0.32 118.68 118.63 1ri0 s LEU 15 Ca 0.34 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 1ri0 s LEU 15 Cb -0.13 -1.16 0.06 0.00 0.50 0.00 0.00 46.19 45.46 1ri0 s LEU 15 CO 0.20 0.27 0.79 0.55 -1.32 0.00 0.00 176.35 176.84 1ri0 n VAL 16 N 2.40 0.00 -3.10 1.68 3.14 -0.96 -4.97 118.33 116.51 1ri0 n VAL 16 Ca -0.16 -0.87 -0.41 0.00 -2.96 0.00 0.00 64.34 59.95 1ri0 n VAL 16 Cb 0.52 0.90 -0.06 0.00 -1.06 0.00 0.00 33.84 34.14 1ri0 n VAL 16 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1ri0 s PHE 17 N -2.48 3.27 0.20 1.45 0.08 -0.89 -1.61 117.98 118.01 1ri0 s PHE 17 Ca 0.16 0.79 0.01 0.00 0.12 0.00 0.00 56.93 58.01 1ri0 s PHE 17 Cb -0.04 -2.88 -0.04 0.00 -0.57 0.00 0.00 43.02 39.49 1ri0 s PHE 17 CO 0.10 -0.35 0.38 0.00 -0.10 0.00 0.00 175.22 175.24 1ri0 s ALA 18 N 2.54 3.86 -0.09 5.36 0.00 -0.06 -1.06 121.76 132.31 1ri0 s ALA 18 Ca 0.26 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1ri0 s ALA 18 Cb -0.15 -1.93 0.05 0.00 0.00 0.00 0.00 23.12 21.08 1ri0 s ALA 18 CO 0.09 0.41 0.19 0.21 0.00 0.00 0.00 175.76 176.66 1ri0 s LYS 19 N -3.43 0.11 0.20 0.00 2.47 -0.16 -1.67 119.74 117.25 1ri0 s LYS 19 Ca 0.37 0.54 0.01 0.00 -1.56 0.00 0.00 55.97 55.33 1ri0 s LYS 19 Cb -0.11 -0.17 -0.05 0.00 -1.46 0.00 0.00 37.83 36.05 1ri0 s LYS 19 CO 0.29 -0.23 0.04 1.41 0.16 0.00 0.00 175.35 177.02 1ri0 s MET 20 N 1.79 1.19 0.25 4.03 1.75 -1.01 -4.66 119.30 122.65 1ri0 s MET 20 Ca -0.03 -1.60 -0.31 0.00 -1.25 0.00 0.00 55.69 52.50 1ri0 s MET 20 Cb -0.12 -0.18 -0.13 0.00 2.84 0.00 0.00 34.83 37.24 1ri0 s MET 20 CO -0.07 -0.21 1.42 1.17 -0.65 0.00 0.00 175.02 176.68 1ri0 n LYS 21 N -0.30 2.12 -1.03 4.11 4.81 -1.26 0.26 118.16 126.86 1ri0 n LYS 21 Ca -0.04 0.75 -0.01 0.00 -0.87 0.00 0.00 58.31 58.14 1ri0 n LYS 21 Cb 0.64 -2.42 -0.01 0.00 0.02 0.00 0.00 35.03 33.27 1ri0 n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ri0 n GLY 22 N 2.09 0.13 2.91 3.14 0.00 -1.26 -4.92 105.19 107.27 1ri0 n GLY 22 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1ri0 n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ri0 s TYR 23 N -1.14 1.76 0.64 1.61 5.04 0.14 -5.13 117.35 120.27 1ri0 s TYR 23 Ca 0.00 -1.10 -0.13 0.00 -2.44 0.00 0.00 57.07 53.39 1ri0 s TYR 23 Cb 0.00 -1.35 -0.02 0.00 0.35 0.00 0.00 41.96 40.94 1ri0 s TYR 23 CO 0.00 -0.62 1.05 -1.25 -1.34 0.00 0.00 175.55 173.39 1ri0 s PRO 24 N 1.61 3.18 -0.32 4.97 0.04 -1.26 -2.40 135.00 140.82 1ri0 s PRO 24 Ca 0.01 1.07 -0.40 0.00 0.04 0.00 0.00 61.00 61.72 1ri0 s PRO 24 Cb -0.15 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 1ri0 s PRO 24 CO -0.08 -0.91 1.85 0.72 0.04 0.00 0.00 177.00 178.62 1ri0 n HIS 25 N -2.51 1.89 -4.18 0.56 8.25 -1.26 -4.77 115.22 113.21 1ri0 n HIS 25 Ca 0.08 0.54 -0.12 0.00 -0.26 0.00 0.00 57.72 57.97 1ri0 n HIS 25 Cb 0.53 -2.45 -0.10 0.00 1.12 0.00 0.00 29.99 29.09 1ri0 n HIS 25 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ri0 s TRP 26 N 4.39 0.98 -0.64 4.41 0.51 -0.67 -4.59 118.94 123.33 1ri0 s TRP 26 Ca 1.03 -0.85 -0.27 0.00 -2.12 0.00 0.00 56.10 53.89 1ri0 s TRP 26 Cb -1.09 -0.55 0.01 0.00 -0.81 0.00 0.00 33.47 31.03 1ri0 s TRP 26 CO 0.64 -0.08 1.55 -1.25 -0.51 0.00 0.00 176.95 177.29 1ri0 s PRO 27 N -3.66 3.01 -0.03 4.98 0.04 -1.26 -0.88 135.00 137.19 1ri0 s PRO 27 Ca 0.12 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.52 1ri0 s PRO 27 Cb 0.04 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.31 1ri0 s PRO 27 CO -0.03 -2.31 -0.23 0.00 0.04 0.00 0.00 177.00 174.46 1ri0 s ALA 28 N 7.11 2.27 -0.05 8.56 0.00 -0.63 -2.07 121.76 136.94 1ri0 s ALA 28 Ca 0.53 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 1ri0 s ALA 28 Cb -0.11 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1ri0 s ALA 28 CO 0.20 0.53 0.31 0.50 0.00 0.00 0.00 175.76 177.30 1ri0 s ARG 29 N -0.60 3.78 0.53 0.00 3.52 0.81 -2.27 118.95 124.71 1ri0 s ARG 29 Ca 0.09 0.21 -0.21 0.00 -0.13 0.00 0.00 55.73 55.69 1ri0 s ARG 29 Cb -0.10 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1ri0 s ARG 29 CO -0.00 0.69 1.23 -1.50 -0.81 0.00 0.00 175.30 174.90 1ri0 s ILE 30 N -0.94 2.66 -0.08 4.11 -1.16 0.56 -1.57 121.20 124.79 1ri0 s ILE 30 Ca 0.20 0.47 -0.17 0.00 -0.51 0.00 0.00 60.65 60.64 1ri0 s ILE 30 Cb -0.15 -3.22 0.04 0.00 0.61 0.00 0.00 42.46 39.74 1ri0 s ILE 30 CO 0.09 -0.04 0.40 -1.81 -2.81 0.00 0.00 174.94 170.78 1ri0 s ASP 31 N -1.33 -0.35 0.30 4.50 1.11 0.15 -4.15 116.67 116.90 1ri0 s ASP 31 Ca 0.71 0.47 -0.09 0.00 0.18 0.00 0.00 52.55 53.82 1ri0 s ASP 31 Cb -0.32 0.56 -0.06 0.00 1.07 0.00 0.00 42.92 44.16 1ri0 s ASP 31 CO 0.38 -0.35 0.61 -0.70 1.18 0.00 0.00 175.17 176.29 1ri0 s GLU 32 N -0.70 3.75 -0.17 8.23 2.12 -1.26 0.01 118.70 130.69 1ri0 s GLU 32 Ca -0.08 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 1ri0 s GLU 32 Cb -0.04 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1ri0 s GLU 32 CO 0.04 0.19 1.34 0.00 -0.54 0.00 0.00 175.26 176.29 1ri0 s MET 33 N -3.32 4.17 0.93 4.30 0.23 -1.26 -4.73 119.30 119.62 1ri0 s MET 33 Ca 0.48 1.69 -0.13 0.00 -1.03 0.00 0.00 55.69 56.70 1ri0 s MET 33 Cb -0.11 -3.82 0.15 0.00 -1.53 0.00 0.00 34.83 29.52 1ri0 s MET 33 CO 0.26 -0.81 1.15 -1.25 -2.03 0.00 0.00 175.02 172.34 1ri0 s PRO 34 N 3.72 0.97 -0.00 3.16 0.04 -1.26 -5.01 135.00 136.61 1ri0 s PRO 34 Ca 0.58 0.22 0.19 0.00 0.04 0.00 0.00 61.00 62.03 1ri0 s PRO 34 Cb -0.23 -1.83 0.32 0.00 0.04 0.00 0.00 34.50 32.80 1ri0 s PRO 34 CO 0.18 -2.30 1.13 -0.85 0.04 0.00 0.00 177.00 175.20 1ri0 n GLU 35 N -3.82 0.02 -0.08 4.56 0.28 -1.26 -4.39 120.64 115.95 1ri0 n GLU 35 Ca 0.08 -1.75 -0.07 0.00 -0.16 0.00 0.00 57.16 55.26 1ri0 n GLU 35 Cb 0.59 0.12 -0.02 0.00 1.43 0.00 0.00 31.44 33.56 1ri0 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ri0 n ALA 36 N 0.35 0.65 0.44 -1.84 0.00 -1.26 -4.65 120.51 114.20 1ri0 n ALA 36 Ca -0.03 -0.62 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 1ri0 n ALA 36 Cb 1.03 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 20.41 1ri0 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ri0 h ALA 37 N -1.04 -1.13 -1.90 0.00 0.00 -2.04 -3.46 119.26 109.68 1ri0 h ALA 37 Ca 0.00 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 54.14 1ri0 h ALA 37 Cb 0.74 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 1ri0 h ALA 37 CO 0.00 -1.07 -0.52 0.14 0.00 0.00 0.00 179.25 177.79 1ri0 s VAL 38 N -5.46 0.52 -0.20 0.00 -7.23 -1.26 -5.14 120.40 101.63 1ri0 s VAL 38 Ca -0.17 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 57.94 1ri0 s VAL 38 Cb 0.02 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1ri0 s VAL 38 CO 0.53 0.00 0.02 -0.54 -0.31 0.00 0.00 175.10 174.81 1ri0 s LYS 39 N -3.71 3.71 0.43 4.82 1.02 -1.26 -4.06 119.74 120.69 1ri0 s LYS 39 Ca 0.28 -0.47 0.06 0.00 0.02 0.00 0.00 55.97 55.86 1ri0 s LYS 39 Cb 0.03 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.14 1ri0 s LYS 39 CO 0.16 0.05 0.07 -1.12 -0.92 0.00 0.00 175.35 173.59 1ri0 s SER 40 N 0.93 4.10 -0.19 2.83 0.01 -1.26 -5.11 113.70 115.01 1ri0 s SER 40 Ca 0.02 -1.32 -0.13 0.00 1.31 0.00 0.00 55.95 55.84 1ri0 s SER 40 Cb -0.14 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.77 1ri0 s SER 40 CO 0.02 -0.55 0.25 0.42 0.41 0.00 0.00 173.24 173.79 1ri0 s THR 41 N -2.70 5.32 -0.10 1.44 -4.23 -1.26 -5.05 115.64 109.06 1ri0 s THR 41 Ca 0.33 0.43 -0.30 0.00 -1.18 0.00 0.00 61.69 60.97 1ri0 s THR 41 Cb 0.07 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1ri0 s THR 41 CO 0.17 0.36 1.08 0.00 -0.54 0.00 0.00 174.62 175.70 1ri0 s ALA 42 N 0.74 3.46 0.00 3.99 0.00 -1.26 -4.20 121.76 124.49 1ri0 s ALA 42 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1ri0 s ALA 42 Cb -0.13 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1ri0 s ALA 42 CO 0.04 -0.70 0.00 0.27 0.00 0.00 0.00 175.76 175.37 1ri0 n ASN 43 N 5.18 0.00 -4.92 0.00 0.23 -1.26 -5.14 115.26 109.34 1ri0 n ASN 43 Ca 0.10 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.91 1ri0 n ASN 43 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1ri0 n ASN 43 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ri0 s LYS 44 N 0.00 2.30 0.08 -3.83 0.00 -1.26 -5.11 119.74 111.92 1ri0 s LYS 44 Ca 0.00 -1.89 0.09 0.00 0.00 0.00 0.00 55.97 54.17 1ri0 s LYS 44 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 37.83 35.56 1ri0 s LYS 44 CO 0.00 -0.61 -0.24 -0.47 0.00 0.00 0.00 175.35 174.03 1ri0 s TYR 45 N -2.72 2.04 -0.16 1.78 6.14 -0.78 -4.74 117.35 118.91 1ri0 s TYR 45 Ca 0.41 -0.40 -0.15 0.00 0.64 0.00 0.00 57.07 57.57 1ri0 s TYR 45 Cb -0.03 -1.16 -0.04 0.00 0.42 0.00 0.00 41.96 41.14 1ri0 s TYR 45 CO 0.25 0.19 0.36 -1.14 0.64 0.00 0.00 175.55 175.86 1ri0 s GLN 46 N -1.60 4.26 -0.02 4.97 0.74 0.10 -1.02 119.66 127.10 1ri0 s GLN 46 Ca 0.10 0.21 -0.02 0.00 0.05 0.00 0.00 55.36 55.70 1ri0 s GLN 46 Cb -0.10 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 1ri0 s GLN 46 CO 0.04 0.15 0.12 0.54 -0.55 0.00 0.00 175.29 175.59 1ri0 s VAL 47 N 0.70 5.05 -0.29 1.34 0.11 0.67 0.35 120.40 128.32 1ri0 s VAL 47 Ca 0.19 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1ri0 s VAL 47 Cb -0.14 -3.31 0.09 0.00 -1.53 0.00 0.00 36.38 31.49 1ri0 s VAL 47 CO 0.06 0.37 0.09 0.12 -3.33 0.00 0.00 175.10 172.41 1ri0 s PHE 48 N -1.22 1.55 -0.06 1.54 2.19 -0.61 -1.16 117.98 120.21 1ri0 s PHE 48 Ca 0.24 -1.57 -0.30 0.00 0.33 0.00 0.00 56.93 55.62 1ri0 s PHE 48 Cb -0.12 -1.57 -0.03 0.00 -1.31 0.00 0.00 43.02 39.98 1ri0 s PHE 48 CO 0.15 -0.84 1.21 -0.06 1.83 0.00 0.00 175.22 177.51 1ri0 s PHE 49 N 1.67 3.15 -0.09 10.12 0.08 0.15 -0.14 117.98 132.94 1ri0 s PHE 49 Ca 0.08 1.18 -0.03 0.00 0.12 0.00 0.00 56.93 58.28 1ri0 s PHE 49 Cb -0.17 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.82 1ri0 s PHE 49 CO -0.24 -1.39 0.13 0.74 -0.10 0.00 0.00 175.22 174.36 1ri0 h PHE 50 N 7.52 -0.10 -0.95 0.36 0.04 -1.69 0.41 116.94 122.54 1ri0 h PHE 50 Ca -0.34 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.55 1ri0 h PHE 50 Cb 1.16 0.03 -0.14 0.00 2.20 0.00 0.00 35.95 39.20 1ri0 h PHE 50 CO 0.74 -0.05 -0.44 0.41 -0.60 0.00 0.00 178.31 178.36 1ri0 n GLY 51 N 1.51 -2.14 0.06 -1.45 0.00 -1.25 0.20 105.19 102.12 1ri0 n GLY 51 Ca -0.01 1.08 -0.07 0.00 0.00 0.00 0.00 46.02 47.02 1ri0 n GLY 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ri0 h THR 52 N 0.00 1.64 -2.19 2.61 1.35 -1.85 -3.45 112.91 111.03 1ri0 h THR 52 Ca 0.26 -3.36 -0.12 0.00 -0.55 0.00 0.00 66.41 62.65 1ri0 h THR 52 Cb 0.50 2.82 0.03 0.00 -1.73 0.00 0.00 68.15 69.77 1ri0 h THR 52 CO -0.92 0.94 -0.19 1.57 -0.25 0.00 0.00 175.52 176.67 1ri0 n HIS 53 N -3.33 -0.76 -4.52 4.73 -0.00 0.13 -5.05 115.22 106.42 1ri0 n HIS 53 Ca -0.02 0.25 -0.27 0.00 0.46 0.00 0.00 57.72 58.15 1ri0 n HIS 53 Cb 0.95 -2.12 -0.10 0.00 -0.12 0.00 0.00 29.99 28.60 1ri0 n HIS 53 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1ri0 s GLU 54 N -5.24 2.01 0.03 1.57 2.02 -0.14 -4.94 118.70 114.01 1ri0 s GLU 54 Ca 0.15 -2.05 0.03 0.00 0.02 0.00 0.00 54.97 53.11 1ri0 s GLU 54 Cb -0.06 -1.71 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 1ri0 s GLU 54 CO 0.18 -0.06 -0.08 0.99 0.02 0.00 0.00 175.26 176.31 1ri0 s THR 55 N -2.69 0.63 0.39 3.63 2.01 -1.26 0.35 115.64 118.69 1ri0 s THR 55 Ca 0.36 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 1ri0 s THR 55 Cb 0.09 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 72.02 1ri0 s THR 55 CO 0.19 -0.19 0.73 0.00 -0.69 0.00 0.00 174.62 174.66 1ri0 n ALA 56 N 1.89 -1.51 -2.99 7.40 0.00 -0.31 -5.01 120.51 119.99 1ri0 n ALA 56 Ca -0.19 -1.33 -0.35 0.00 0.00 0.00 0.00 53.44 51.57 1ri0 n ALA 56 Cb 0.55 1.06 -0.12 0.00 0.00 0.00 0.00 19.45 20.95 1ri0 n ALA 56 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ri0 s PHE 57 N -2.35 3.11 0.34 0.00 -0.71 -1.26 -0.24 117.98 116.88 1ri0 s PHE 57 Ca 0.18 -0.29 -0.00 0.00 -1.04 0.00 0.00 56.93 55.78 1ri0 s PHE 57 Cb -0.04 -2.14 -0.00 0.00 -1.21 0.00 0.00 43.02 39.63 1ri0 s PHE 57 CO 0.13 -0.17 0.44 -0.51 -1.34 0.00 0.00 175.22 173.77 1ri0 s LEU 58 N 1.04 1.18 0.00 -1.99 1.43 -0.19 -4.91 118.68 115.24 1ri0 s LEU 58 Ca 0.03 -1.56 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 1ri0 s LEU 58 Cb -0.14 1.29 0.00 0.00 0.03 0.00 0.00 46.19 47.36 1ri0 s LEU 58 CO 0.03 -1.26 0.00 0.61 0.23 0.00 0.00 176.35 175.96 1ri0 n GLY 59 N -0.58 6.88 0.15 -3.19 0.00 -1.26 -1.86 105.19 105.32 1ri0 n GLY 59 Ca 0.02 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 1ri0 n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ri0 h PRO 60 N 0.00 0.30 0.68 1.61 0.13 -1.96 -3.11 132.00 129.65 1ri0 h PRO 60 Ca 0.00 -0.29 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1ri0 h PRO 60 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1ri0 h PRO 60 CO 0.00 0.98 -0.37 -0.22 -0.23 0.00 0.00 178.00 178.16 1ri0 h LYS 61 N 0.18 -0.94 -0.90 0.86 1.63 -2.00 -1.35 116.57 114.05 1ri0 h LYS 61 Ca -0.05 0.06 0.26 0.00 -0.85 0.00 0.00 60.65 60.08 1ri0 h LYS 61 Cb 1.44 0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 33.25 1ri0 h LYS 61 CO 0.14 -0.62 0.65 -0.44 -3.45 0.00 0.00 179.45 175.72 1ri0 h ASP 62 N -0.97 0.01 -3.17 4.20 3.32 -1.83 -3.39 116.42 114.60 1ri0 h ASP 62 Ca -0.09 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.38 1ri0 h ASP 62 Cb 0.77 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 1ri0 h ASP 62 CO 0.12 0.00 -0.12 -0.76 -1.72 0.00 0.00 179.24 176.76 1ri0 s LEU 63 N -8.56 4.45 -0.06 1.55 1.02 -0.51 -0.99 118.68 115.58 1ri0 s LEU 63 Ca -0.05 1.07 -0.05 0.00 0.02 0.00 0.00 54.13 55.12 1ri0 s LEU 63 Cb 0.22 -2.89 0.02 0.00 0.02 0.00 0.00 46.19 43.55 1ri0 s LEU 63 CO 0.77 0.24 0.15 -0.36 0.02 0.00 0.00 176.35 177.18 1ri0 s PHE 64 N -1.21 -0.17 1.00 0.29 0.08 -0.22 -4.84 117.98 112.90 1ri0 s PHE 64 Ca 0.30 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.62 1ri0 s PHE 64 Cb -0.17 0.04 0.19 0.00 -0.57 0.00 0.00 43.02 42.51 1ri0 s PHE 64 CO 0.17 -0.09 1.18 -1.25 -0.10 0.00 0.00 175.22 175.13 1ri0 s PRO 65 N 0.21 0.44 0.14 0.24 0.04 -1.26 -2.10 135.00 132.71 1ri0 s PRO 65 Ca -0.01 0.02 -0.10 0.00 0.04 0.00 0.00 61.00 60.95 1ri0 s PRO 65 Cb -0.02 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1ri0 s PRO 65 CO -0.01 -2.62 1.45 -0.92 0.04 0.00 0.00 177.00 174.94 1ri0 h TYR 66 N -1.80 1.08 -0.10 0.56 3.20 -1.97 0.05 116.97 117.99 1ri0 h TYR 66 Ca -0.48 -0.36 0.04 0.00 3.14 0.00 0.00 58.73 61.07 1ri0 h TYR 66 Cb 1.30 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 1ri0 h TYR 66 CO -0.68 1.18 -0.14 0.93 -1.64 0.00 0.00 178.16 177.81 1ri0 h GLU 67 N 0.69 -0.18 -0.11 1.82 3.07 -1.97 1.04 114.58 118.95 1ri0 h GLU 67 Ca 0.03 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1ri0 h GLU 67 Cb 1.08 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1ri0 h GLU 67 CO 0.11 -0.12 -0.06 0.93 -1.40 0.00 0.00 179.01 178.47 1ri0 h GLU 68 N -0.18 0.23 -0.12 2.33 5.08 -1.94 -0.76 114.58 119.23 1ri0 h GLU 68 Ca 0.08 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1ri0 h GLU 68 Cb 0.30 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1ri0 h GLU 68 CO -0.21 0.60 -0.15 0.77 -1.00 0.00 0.00 179.01 179.02 1ri0 h SER 69 N -0.14 -0.46 0.54 1.42 0.02 -0.69 0.26 113.55 114.49 1ri0 h SER 69 Ca 0.02 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ri0 h SER 69 Cb 0.54 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1ri0 h SER 69 CO 0.02 -0.20 0.00 0.07 -1.14 0.00 0.00 176.83 175.58 1ri0 h LYS 70 N -0.19 0.00 0.65 3.45 5.09 0.11 1.81 116.57 127.49 1ri0 h LYS 70 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.80 1ri0 h LYS 70 Cb 0.32 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.66 1ri0 h LYS 70 CO -0.23 0.00 -0.31 1.49 -2.09 0.00 0.00 179.45 178.31 1ri0 h GLU 71 N 0.00 -0.84 0.00 0.07 4.22 0.11 -3.38 114.58 114.76 1ri0 h GLU 71 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1ri0 h GLU 71 Cb 0.27 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ri0 h GLU 71 CO 0.00 -0.53 0.00 1.17 -2.18 0.00 0.00 179.01 177.47 1ri0 n LYS 72 N -5.42 0.00 0.05 1.92 0.00 -0.97 -4.94 118.16 108.80 1ri0 n LYS 72 Ca -0.13 0.50 0.00 0.00 0.00 0.00 0.00 58.31 58.68 1ri0 n LYS 72 Cb 0.37 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.33 1ri0 n LYS 72 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1ri0 n PHE 73 N -1.99 -0.66 -0.75 5.64 -1.74 -0.59 -5.00 117.46 112.37 1ri0 n PHE 73 Ca 0.00 0.12 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 1ri0 n PHE 73 Cb 0.00 0.31 0.00 0.00 1.52 0.00 0.00 39.48 41.31 1ri0 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ri0 n GLY 74 N 2.23 0.39 2.72 4.97 0.00 0.61 -4.58 105.19 111.52 1ri0 n GLY 74 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ri0 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ri0 s LYS 75 N -0.66 1.02 1.01 1.61 0.00 -1.26 -4.78 119.74 116.68 1ri0 s LYS 75 Ca 0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 55.97 54.23 1ri0 s LYS 75 Cb 0.00 -2.16 0.20 0.00 0.00 0.00 0.00 37.83 35.86 1ri0 s LYS 75 CO 0.00 -1.09 1.18 -1.25 0.00 0.00 0.00 175.35 174.20 1ri0 s PRO 76 N 0.93 0.34 -0.36 1.78 0.04 -1.26 -4.86 135.00 131.60 1ri0 s PRO 76 Ca 0.14 -0.01 -0.37 0.00 0.04 0.00 0.00 61.00 60.80 1ri0 s PRO 76 Cb -0.21 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1ri0 s PRO 76 CO -0.10 -2.68 2.13 0.09 0.04 0.00 0.00 177.00 176.48 1ri0 n ASN 77 N -4.04 1.96 -4.56 6.66 3.02 -1.26 -4.77 115.26 112.26 1ri0 n ASN 77 Ca 0.11 0.54 -0.26 0.00 -0.03 0.00 0.00 54.58 54.94 1ri0 n ASN 77 Cb 0.59 -1.19 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1ri0 n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ri0 s LYS 78 N 5.85 2.46 0.35 3.52 -0.14 -1.26 -4.84 119.74 125.68 1ri0 s LYS 78 Ca 1.10 -0.43 0.06 0.00 -1.36 0.00 0.00 55.97 55.33 1ri0 s LYS 78 Cb -0.98 -5.08 0.06 0.00 -1.68 0.00 0.00 37.83 30.14 1ri0 s LYS 78 CO 0.54 -3.61 0.46 0.54 -0.76 0.00 0.00 175.35 172.53 1ri0 n ARG 79 N 8.72 0.78 -0.06 1.68 5.12 -1.26 -4.97 116.66 126.67 1ri0 n ARG 79 Ca 0.42 -1.94 -0.12 0.00 -1.93 0.00 0.00 57.85 54.28 1ri0 n ARG 79 Cb 0.47 -0.11 -0.06 0.00 -1.16 0.00 0.00 32.46 31.60 1ri0 n ARG 79 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1ri0 h LYS 80 N 0.00 0.34 0.00 5.56 6.56 -2.01 -2.17 116.57 124.84 1ri0 h LYS 80 Ca -0.17 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1ri0 h LYS 80 Cb 0.77 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.41 1ri0 h LYS 80 CO 0.25 0.59 0.00 0.41 -2.06 0.00 0.00 179.45 178.64 1ri0 n GLY 81 N -0.17 -0.78 0.07 3.86 0.00 -1.26 -2.23 105.19 104.68 1ri0 n GLY 81 Ca -0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1ri0 n GLY 81 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ri0 h PHE 82 N 0.00 0.00 0.35 1.61 3.04 -1.72 -1.07 116.94 119.14 1ri0 h PHE 82 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1ri0 h PHE 82 Cb 0.15 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1ri0 h PHE 82 CO 0.00 0.70 -0.17 1.03 -2.02 0.00 0.00 178.31 177.85 1ri0 h SER 83 N -1.00 -0.39 0.84 0.41 0.87 -1.31 0.61 113.55 113.59 1ri0 h SER 83 Ca -0.03 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1ri0 h SER 83 Cb 0.71 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1ri0 h SER 83 CO -0.02 -0.15 0.00 1.05 -0.53 0.00 0.00 176.83 177.19 1ri0 h GLU 84 N -0.63 0.00 0.10 2.24 4.11 -1.63 -2.36 114.58 116.41 1ri0 h GLU 84 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1ri0 h GLU 84 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ri0 h GLU 84 CO 0.08 0.00 -0.05 0.78 0.07 0.00 0.00 179.01 179.89 1ri0 h GLY 85 N 2.50 -0.15 1.52 1.06 0.00 -0.67 0.95 103.07 108.29 1ri0 h GLY 85 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.45 1ri0 h GLY 85 CO 0.00 -0.05 0.19 -2.00 0.00 0.00 0.00 176.54 174.67 1ri0 h LEU 86 N -0.94 0.06 0.00 3.11 7.12 -0.91 0.67 115.31 124.43 1ri0 h LEU 86 Ca -0.01 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1ri0 h LEU 86 Cb 0.11 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1ri0 h LEU 86 CO 0.02 0.04 -0.38 -0.50 -0.13 0.00 0.00 178.44 177.49 1ri0 h TRP 87 N 0.07 0.00 0.00 1.25 6.55 -1.51 -0.41 115.95 121.90 1ri0 h TRP 87 Ca 0.12 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.90 1ri0 h TRP 87 Cb 0.40 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.69 1ri0 h TRP 87 CO -0.00 0.09 -0.28 0.93 -1.05 0.00 0.00 178.44 178.13 1ri0 h GLU 88 N 0.00 0.00 0.00 0.49 4.39 0.30 0.79 114.58 120.55 1ri0 h GLU 88 Ca -0.01 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 1ri0 h GLU 88 Cb 1.08 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.66 1ri0 h GLU 88 CO 0.01 0.28 -2.48 1.51 -1.16 0.00 0.00 179.01 177.17 1ri0 n ILE 89 N -3.41 1.52 0.16 3.13 0.00 -0.67 -3.22 119.36 116.88 1ri0 n ILE 89 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 62.75 62.32 1ri0 n ILE 89 Cb 0.48 -1.75 0.25 0.00 0.00 0.00 0.00 39.64 38.62 1ri0 n ILE 89 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1ri0 h GLU 90 N -0.68 0.00 -2.07 9.51 4.39 -1.14 -3.32 114.58 121.27 1ri0 h GLU 90 Ca -0.65 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.49 1ri0 h GLU 90 Cb 1.70 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.95 1ri0 h GLU 90 CO -0.31 0.52 -0.98 0.09 -1.16 0.00 0.00 179.01 177.17 1ri0 n ASN 91 N -3.82 1.48 -4.84 1.42 5.03 0.28 -5.02 115.26 109.77 1ri0 n ASN 91 Ca -0.01 -3.01 -0.32 0.00 0.87 0.00 0.00 54.58 52.11 1ri0 n ASN 91 Cb 0.55 -0.63 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 1ri0 n ASN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ri0 s ASN 92 N -1.94 6.44 0.22 6.41 4.22 -1.20 -4.36 114.94 124.72 1ri0 s ASN 92 Ca 0.38 1.57 0.08 0.00 -2.14 0.00 0.00 52.86 52.76 1ri0 s ASN 92 Cb 0.22 -2.50 0.15 0.00 1.28 0.00 0.00 41.25 40.39 1ri0 s ASN 92 CO -0.09 -0.72 1.49 1.55 -2.04 0.00 0.00 177.10 177.29 1ri0 h PRO 93 N 0.60 0.03 -3.58 3.55 0.13 -1.92 -3.38 132.00 127.42 1ri0 h PRO 93 Ca -0.46 -0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 63.99 1ri0 h PRO 93 Cb 1.19 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1ri0 h PRO 93 CO 0.61 0.77 -0.61 0.99 -0.23 0.00 0.00 178.00 179.53 1ri0 s THR 94 N -3.31 2.69 0.68 1.56 2.01 -1.26 -5.09 115.64 112.92 1ri0 s THR 94 Ca -0.01 -3.15 0.01 0.00 0.31 0.00 0.00 61.69 58.85 1ri0 s THR 94 Cb 0.12 -2.86 0.11 0.00 0.01 0.00 0.00 72.50 69.88 1ri0 s THR 94 CO 0.79 -0.78 0.94 0.54 -0.69 0.00 0.00 174.62 175.41 1ri0 s VAL 95 N -0.11 2.19 0.00 3.82 0.11 -1.26 -4.98 120.40 120.18 1ri0 s VAL 95 Ca 0.16 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1ri0 s VAL 95 Cb -0.24 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 1ri0 s VAL 95 CO -0.01 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.05 1ri0 n LYS 96 N -2.69 0.00 -3.27 1.54 -0.00 -1.26 -5.03 118.16 107.46 1ri0 n LYS 96 Ca 0.14 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 58.01 1ri0 n LYS 96 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.64 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ri0 n ALA 97 N -0.66 4.46 0.00 0.58 0.00 -1.26 -4.32 120.51 119.30 1ri0 n ALA 97 Ca 0.00 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.74 1ri0 n ALA 97 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1ri0 n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ri0 n SER 98 N 2.34 0.00 0.00 0.00 2.88 -1.26 -5.16 113.62 112.41 1ri0 n SER 98 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1ri0 n SER 98 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ri0 n GLY 99 N 0.00 3.70 0.00 0.46 0.00 -1.26 -5.27 105.19 102.82 1ri0 n GLY 99 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1ri0 n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60