#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 3.26 0.21 6.12 0.01 -1.26 -5.12 113.70 116.93 1ri0 s SER 2 Ca 0.00 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 55.99 1ri0 s SER 2 Cb 0.00 -0.80 -0.08 0.00 0.21 0.00 0.00 66.02 65.35 1ri0 s SER 2 CO 0.00 -0.29 1.02 0.00 0.41 0.00 0.00 173.24 174.39 1ri0 s ARG 3 N 1.70 4.71 -0.26 12.44 3.03 -1.26 -5.03 118.95 134.28 1ri0 s ARG 3 Ca -0.02 1.62 -0.06 0.00 2.03 0.00 0.00 55.73 59.30 1ri0 s ARG 3 Cb -0.18 -3.27 -0.00 0.00 -1.03 0.00 0.00 34.95 30.47 1ri0 s ARG 3 CO -0.08 0.28 0.03 -1.54 -1.13 0.00 0.00 175.30 172.86 1ri0 s SER 4 N -0.64 4.84 0.34 -2.89 1.04 -1.26 -5.09 113.70 110.05 1ri0 s SER 4 Ca 0.45 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.36 1ri0 s SER 4 Cb -0.28 -1.83 0.04 0.00 0.10 0.00 0.00 66.02 64.05 1ri0 s SER 4 CO 0.35 -0.11 0.31 -0.46 0.98 0.00 0.00 173.24 174.30 1ri0 n ASN 5 N 4.84 1.89 -4.53 7.02 6.94 -1.26 -5.12 115.26 125.05 1ri0 n ASN 5 Ca -0.16 -2.12 -0.21 0.00 -0.02 0.00 0.00 54.58 52.07 1ri0 n ASN 5 Cb 0.49 -0.08 0.02 0.00 -2.36 0.00 0.00 39.78 37.85 1ri0 n ASN 5 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1ri0 n ARG 6 N -1.41 0.74 -0.05 -3.83 0.00 -1.26 -5.07 116.66 105.77 1ri0 n ARG 6 Ca 0.01 -2.95 -0.08 0.00 -0.00 0.00 0.00 57.85 54.83 1ri0 n ARG 6 Cb 0.38 0.16 -0.05 0.00 -0.00 0.00 0.00 32.46 32.96 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 -1.78 0.26 0.00 2.89 0.00 -1.26 -4.93 117.38 112.56 1ri0 n GLN 7 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1ri0 n GLN 7 Cb 0.55 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.65 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 -2.98 0.00 -1.75 2.61 2.85 -1.26 -5.03 118.16 112.61 1ri0 n LYS 8 Ca -0.20 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 1ri0 n LYS 8 Cb 0.69 -0.49 -0.03 0.00 -0.65 0.00 0.00 35.03 34.55 1ri0 n LYS 8 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1ri0 s GLU 9 N -1.00 2.60 -0.17 -1.58 -1.05 -1.26 -4.94 118.70 111.30 1ri0 s GLU 9 Ca 0.00 1.34 -0.00 0.00 -0.15 0.00 0.00 54.97 56.16 1ri0 s GLU 9 Cb 0.00 -4.44 0.00 0.00 -0.44 0.00 0.00 34.13 29.25 1ri0 s GLU 9 CO 0.00 -2.72 -0.15 1.52 0.95 0.00 0.00 175.26 174.86 1ri0 s TYR 10 N 9.96 2.80 0.34 4.83 1.13 -1.26 -4.73 117.35 130.42 1ri0 s TYR 10 Ca 0.88 -1.15 0.08 0.00 -1.41 0.00 0.00 57.07 55.47 1ri0 s TYR 10 Cb -0.20 -1.92 -0.03 0.00 -1.10 0.00 0.00 41.96 38.71 1ri0 s TYR 10 CO 0.28 -0.55 0.28 1.63 -2.51 0.00 0.00 175.55 174.67 1ri0 n LYS 11 N 4.28 0.42 -1.33 -3.49 4.76 -1.26 -5.05 118.16 116.48 1ri0 n LYS 11 Ca -0.19 -3.40 -0.42 0.00 -2.87 0.00 0.00 58.31 51.43 1ri0 n LYS 11 Cb 0.51 2.74 -0.00 0.00 -1.84 0.00 0.00 35.03 36.44 1ri0 n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ri0 n GLY 13 N 2.21 1.00 3.73 0.00 0.00 -1.26 -5.02 105.19 105.86 1ri0 n GLY 13 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.05 6.93 -0.15 1.61 2.15 -0.17 -4.92 116.67 119.07 1ri0 s ASP 14 Ca 0.00 1.11 -0.08 0.00 0.43 0.00 0.00 52.55 54.01 1ri0 s ASP 14 Cb 0.00 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 1ri0 s ASP 14 CO 0.00 -0.05 0.12 -0.22 -0.17 0.00 0.00 175.17 174.85 1ri0 s LEU 15 N 0.56 4.22 0.37 -1.34 1.98 -1.26 -1.00 118.68 122.20 1ri0 s LEU 15 Ca 0.34 0.33 -0.13 0.00 -2.89 0.00 0.00 54.13 51.79 1ri0 s LEU 15 Cb -0.17 -2.05 0.04 0.00 0.66 0.00 0.00 46.19 44.67 1ri0 s LEU 15 CO 0.16 0.31 0.71 0.68 -1.89 0.00 0.00 176.35 176.33 1ri0 s VAL 16 N -0.44 0.00 -0.30 1.68 -7.23 -0.87 -4.97 120.40 108.28 1ri0 s VAL 16 Ca 0.11 -1.15 -0.19 0.00 -1.81 0.00 0.00 61.98 58.95 1ri0 s VAL 16 Cb -0.12 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 1ri0 s VAL 16 CO 0.02 0.00 0.56 -0.36 -0.31 0.00 0.00 175.10 175.01 1ri0 s PHE 17 N -2.53 3.23 0.06 2.82 0.08 -0.89 -1.61 117.98 119.14 1ri0 s PHE 17 Ca 0.19 0.53 -0.19 0.00 0.12 0.00 0.00 56.93 57.58 1ri0 s PHE 17 Cb -0.04 -2.87 -0.06 0.00 -0.57 0.00 0.00 43.02 39.47 1ri0 s PHE 17 CO 0.14 -0.41 0.57 0.00 -0.10 0.00 0.00 175.22 175.42 1ri0 s ALA 18 N 2.46 3.57 -0.10 5.36 0.00 0.08 -1.33 121.76 131.79 1ri0 s ALA 18 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 1ri0 s ALA 18 Cb -0.15 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1ri0 s ALA 18 CO 0.11 0.35 -0.04 0.21 0.00 0.00 0.00 175.76 176.39 1ri0 s LYS 19 N -0.91 1.08 0.23 0.00 2.47 0.18 -1.83 119.74 120.96 1ri0 s LYS 19 Ca 0.29 -0.11 0.01 0.00 -1.56 0.00 0.00 55.97 54.61 1ri0 s LYS 19 Cb -0.19 -1.34 -0.05 0.00 -1.46 0.00 0.00 37.83 34.79 1ri0 s LYS 19 CO 0.18 -0.30 0.06 1.41 0.16 0.00 0.00 175.35 176.87 1ri0 s MET 20 N 1.83 1.32 0.29 4.03 1.75 -1.01 -4.71 119.30 122.80 1ri0 s MET 20 Ca 0.05 -1.69 -0.30 0.00 -1.25 0.00 0.00 55.69 52.50 1ri0 s MET 20 Cb -0.13 -0.28 -0.12 0.00 2.84 0.00 0.00 34.83 37.14 1ri0 s MET 20 CO -0.07 -0.24 1.46 1.17 -0.65 0.00 0.00 175.02 176.69 1ri0 n LYS 21 N -0.40 2.35 -0.96 4.11 4.81 -1.26 -0.17 118.16 126.64 1ri0 n LYS 21 Ca -0.02 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1ri0 n LYS 21 Cb 0.65 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.18 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 1.71 0.02 2.90 3.14 0.00 -1.26 -4.91 105.19 106.78 1ri0 n GLY 22 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.04 1.81 0.62 1.61 5.04 0.76 -5.13 117.35 121.02 1ri0 s TYR 23 Ca 0.00 -1.18 -0.14 0.00 -2.44 0.00 0.00 57.07 53.31 1ri0 s TYR 23 Cb 0.00 -1.36 -0.03 0.00 0.35 0.00 0.00 41.96 40.92 1ri0 s TYR 23 CO 0.00 -0.64 1.05 -1.25 -1.34 0.00 0.00 175.55 173.37 1ri0 s PRO 24 N 1.60 3.25 -0.36 4.97 0.04 -1.26 -2.41 135.00 140.82 1ri0 s PRO 24 Ca -0.00 1.10 -0.41 0.00 0.04 0.00 0.00 61.00 61.73 1ri0 s PRO 24 Cb -0.16 -2.03 -0.16 0.00 0.04 0.00 0.00 34.50 32.20 1ri0 s PRO 24 CO -0.08 -0.86 1.88 0.72 0.04 0.00 0.00 177.00 178.71 1ri0 n HIS 25 N -2.36 1.79 -4.23 0.56 8.25 -1.26 -4.78 115.22 113.19 1ri0 n HIS 25 Ca 0.08 0.60 -0.14 0.00 -0.26 0.00 0.00 57.72 58.01 1ri0 n HIS 25 Cb 0.53 -2.42 -0.10 0.00 1.12 0.00 0.00 29.99 29.12 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 4.64 1.19 -0.60 4.41 0.51 -0.76 -4.55 118.94 123.78 1ri0 s TRP 26 Ca 1.05 -0.75 -0.27 0.00 -2.12 0.00 0.00 56.10 54.00 1ri0 s TRP 26 Cb -1.15 -0.62 0.01 0.00 -0.81 0.00 0.00 33.47 30.89 1ri0 s TRP 26 CO 0.65 0.04 1.53 -1.25 -0.51 0.00 0.00 176.95 177.41 1ri0 s PRO 27 N -3.56 3.09 0.10 4.98 0.04 -1.26 -0.74 135.00 137.64 1ri0 s PRO 27 Ca 0.14 0.39 0.09 0.00 0.04 0.00 0.00 61.00 61.66 1ri0 s PRO 27 Cb 0.02 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 1ri0 s PRO 27 CO -0.00 -2.21 -0.24 0.00 0.04 0.00 0.00 177.00 174.59 1ri0 s ALA 28 N 6.88 2.08 -0.13 8.56 0.00 -0.63 -2.11 121.76 136.40 1ri0 s ALA 28 Ca 0.54 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 1ri0 s ALA 28 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1ri0 s ALA 28 CO 0.22 0.46 0.11 0.50 0.00 0.00 0.00 175.76 177.04 1ri0 s ARG 29 N -1.81 3.48 0.57 0.00 3.52 0.11 -2.04 118.95 122.77 1ri0 s ARG 29 Ca 0.10 -0.21 -0.20 0.00 -0.13 0.00 0.00 55.73 55.30 1ri0 s ARG 29 Cb -0.10 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1ri0 s ARG 29 CO 0.04 0.68 1.22 -1.50 -0.81 0.00 0.00 175.30 174.93 1ri0 s ILE 30 N -0.75 2.65 0.03 4.11 -1.16 -0.17 -1.52 121.20 124.38 1ri0 s ILE 30 Ca 0.13 0.42 -0.16 0.00 -0.51 0.00 0.00 60.65 60.54 1ri0 s ILE 30 Cb -0.12 -3.18 0.03 0.00 0.61 0.00 0.00 42.46 39.80 1ri0 s ILE 30 CO 0.03 -0.07 0.34 -1.81 -2.81 0.00 0.00 174.94 170.62 1ri0 s ASP 31 N -1.49 -0.20 0.38 4.50 1.11 0.13 -4.05 116.67 117.05 1ri0 s ASP 31 Ca 0.75 -0.05 0.08 0.00 0.18 0.00 0.00 52.55 53.51 1ri0 s ASP 31 Cb -0.31 0.37 -0.03 0.00 1.07 0.00 0.00 42.92 44.02 1ri0 s ASP 31 CO 0.35 -0.59 0.31 -0.70 1.18 0.00 0.00 175.17 175.72 1ri0 s GLU 32 N -2.19 2.58 0.22 8.23 2.12 -1.26 0.25 118.70 128.64 1ri0 s GLU 32 Ca -0.07 -1.45 -0.30 0.00 0.36 0.00 0.00 54.97 53.51 1ri0 s GLU 32 Cb -0.02 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.91 1ri0 s GLU 32 CO -0.01 -0.04 1.10 0.00 -0.54 0.00 0.00 175.26 175.77 1ri0 s MET 33 N -4.04 4.61 0.86 4.30 0.23 -1.26 -4.77 119.30 119.23 1ri0 s MET 33 Ca 0.44 1.75 -0.12 0.00 -1.03 0.00 0.00 55.69 56.73 1ri0 s MET 33 Cb -0.04 -3.24 0.10 0.00 -1.53 0.00 0.00 34.83 30.12 1ri0 s MET 33 CO 0.27 0.13 1.12 -1.25 -2.03 0.00 0.00 175.02 173.26 1ri0 s PRO 34 N -0.78 1.60 0.00 3.16 0.04 -1.26 -5.01 135.00 132.75 1ri0 s PRO 34 Ca 0.47 0.45 0.17 0.00 0.04 0.00 0.00 61.00 62.14 1ri0 s PRO 34 Cb -0.30 -1.88 0.29 0.00 0.04 0.00 0.00 34.50 32.64 1ri0 s PRO 34 CO 0.37 -1.91 1.11 -0.85 0.04 0.00 0.00 177.00 175.75 1ri0 n GLU 35 N -3.60 0.00 -0.05 4.56 0.28 -1.25 -4.05 120.64 116.53 1ri0 n GLU 35 Ca 0.07 -1.65 -0.08 0.00 -0.16 0.00 0.00 57.16 55.33 1ri0 n GLU 35 Cb 0.58 0.13 -0.03 0.00 1.43 0.00 0.00 31.44 33.55 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 0.33 1.79 0.29 -1.84 0.00 -1.26 -4.78 120.51 115.05 1ri0 n ALA 36 Ca -0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 1ri0 n ALA 36 Cb 1.00 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.54 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 -0.59 -0.77 -2.40 0.00 0.00 -2.03 -3.47 119.26 110.00 1ri0 h ALA 37 Ca -0.11 -0.19 -0.47 0.00 0.00 0.00 0.00 54.91 54.14 1ri0 h ALA 37 Cb 0.79 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 1ri0 h ALA 37 CO -0.06 -0.76 -0.52 0.14 0.00 0.00 0.00 179.25 178.04 1ri0 s VAL 38 N -4.53 0.25 -0.97 0.00 -7.23 -1.26 -5.09 120.40 101.57 1ri0 s VAL 38 Ca -0.13 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.00 1ri0 s VAL 38 Cb 0.02 -2.46 0.26 0.00 0.56 0.00 0.00 36.38 34.76 1ri0 s VAL 38 CO 0.44 0.00 1.03 0.29 -0.31 0.00 0.00 175.10 176.55 1ri0 n LYS 39 N -0.67 3.28 -0.69 4.82 5.02 -1.26 -3.96 118.16 124.70 1ri0 n LYS 39 Ca 0.02 -4.52 -0.32 0.00 -2.02 0.00 0.00 58.31 51.47 1ri0 n LYS 39 Cb 0.64 -2.45 0.16 0.00 -0.02 0.00 0.00 35.03 33.36 1ri0 n LYS 39 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ri0 n SER 40 N 1.99 -2.09 -4.67 4.39 2.88 -1.26 -4.93 113.62 109.93 1ri0 n SER 40 Ca 0.24 0.05 -0.39 0.00 -1.33 0.00 0.00 58.87 57.45 1ri0 n SER 40 Cb 0.37 -1.10 -0.07 0.00 -0.75 0.00 0.00 64.21 62.67 1ri0 n SER 40 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ri0 s THR 41 N -2.33 5.13 -0.15 2.46 -4.23 -1.26 -5.04 115.64 110.23 1ri0 s THR 41 Ca 0.58 0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 61.73 1ri0 s THR 41 Cb -0.17 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 69.84 1ri0 s THR 41 CO 0.66 0.21 0.95 0.00 -0.54 0.00 0.00 174.62 175.90 1ri0 s ALA 42 N 1.44 3.49 0.00 3.99 0.00 -1.26 -4.33 121.76 125.08 1ri0 s ALA 42 Ca 0.24 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1ri0 s ALA 42 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1ri0 s ALA 42 CO 0.09 -0.69 0.00 0.27 0.00 0.00 0.00 175.76 175.44 1ri0 n ASN 43 N 5.28 0.00 -4.90 0.00 0.23 -1.26 -5.15 115.26 109.46 1ri0 n ASN 43 Ca 0.08 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.88 1ri0 n ASN 43 Cb 0.48 0.00 -0.01 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 2.29 0.15 -3.83 -2.85 -1.26 -5.10 119.74 109.14 1ri0 s LYS 44 Ca 0.00 -1.92 0.10 0.00 -1.00 0.00 0.00 55.97 53.15 1ri0 s LYS 44 Cb 0.00 -2.18 -0.04 0.00 -2.06 0.00 0.00 37.83 33.55 1ri0 s LYS 44 CO 0.00 -0.56 -0.19 -0.47 0.10 0.00 0.00 175.35 174.23 1ri0 s TYR 45 N -2.72 2.47 -0.08 1.78 6.14 -0.36 -4.85 117.35 119.73 1ri0 s TYR 45 Ca 0.39 -0.29 -0.14 0.00 0.64 0.00 0.00 57.07 57.67 1ri0 s TYR 45 Cb -0.02 -1.26 -0.05 0.00 0.42 0.00 0.00 41.96 41.04 1ri0 s TYR 45 CO 0.24 0.44 0.35 -1.14 0.64 0.00 0.00 175.55 176.08 1ri0 s GLN 46 N -2.45 4.00 -0.03 4.97 0.74 0.14 -0.54 119.66 126.50 1ri0 s GLN 46 Ca 0.20 0.25 0.08 0.00 0.05 0.00 0.00 55.36 55.94 1ri0 s GLN 46 Cb -0.09 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.69 1ri0 s GLN 46 CO 0.11 0.50 -0.25 0.54 -0.55 0.00 0.00 175.29 175.64 1ri0 s VAL 47 N -0.41 2.10 -0.28 1.34 0.11 0.30 0.20 120.40 123.76 1ri0 s VAL 47 Ca 0.21 -1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1ri0 s VAL 47 Cb -0.15 -1.73 0.09 0.00 -1.53 0.00 0.00 36.38 33.06 1ri0 s VAL 47 CO 0.09 0.58 0.07 0.12 -3.33 0.00 0.00 175.10 172.63 1ri0 s PHE 48 N -0.57 1.58 -0.15 1.54 2.19 -0.58 -1.19 117.98 120.81 1ri0 s PHE 48 Ca 0.09 -1.52 -0.29 0.00 0.33 0.00 0.00 56.93 55.53 1ri0 s PHE 48 Cb -0.10 -1.53 -0.01 0.00 -1.31 0.00 0.00 43.02 40.06 1ri0 s PHE 48 CO -0.00 -0.81 1.17 -0.06 1.83 0.00 0.00 175.22 177.35 1ri0 s PHE 49 N 1.67 3.11 -0.08 10.12 0.08 0.39 0.05 117.98 133.31 1ri0 s PHE 49 Ca 0.06 1.22 -0.07 0.00 0.12 0.00 0.00 56.93 58.26 1ri0 s PHE 49 Cb -0.17 -3.40 -0.04 0.00 -0.57 0.00 0.00 43.02 38.83 1ri0 s PHE 49 CO -0.20 -1.19 0.26 0.74 -0.10 0.00 0.00 175.22 174.73 1ri0 h PHE 50 N 7.74 -0.17 -0.97 0.36 0.04 -1.70 0.51 116.94 122.76 1ri0 h PHE 50 Ca -0.27 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.62 1ri0 h PHE 50 Cb 1.11 0.05 -0.14 0.00 2.20 0.00 0.00 35.95 39.18 1ri0 h PHE 50 CO 0.76 -0.05 -0.46 0.41 -0.60 0.00 0.00 178.31 178.37 1ri0 n GLY 51 N 1.29 -2.20 0.07 -1.45 0.00 -1.24 0.17 105.19 101.83 1ri0 n GLY 51 Ca -0.03 1.11 -0.06 0.00 0.00 0.00 0.00 46.02 47.04 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 1.58 -2.07 2.61 1.35 -1.88 -3.46 112.91 111.05 1ri0 h THR 52 Ca 0.26 -3.27 -0.11 0.00 -0.55 0.00 0.00 66.41 62.74 1ri0 h THR 52 Cb 0.50 2.78 0.03 0.00 -1.73 0.00 0.00 68.15 69.73 1ri0 h THR 52 CO -0.94 0.90 -0.18 1.41 -0.25 0.00 0.00 175.52 176.46 1ri0 n HIS 53 N -3.32 -0.71 -4.43 4.73 8.25 0.16 -5.05 115.22 114.85 1ri0 n HIS 53 Ca -0.01 0.23 -0.31 0.00 -0.26 0.00 0.00 57.72 57.37 1ri0 n HIS 53 Cb 0.93 -2.07 -0.05 0.00 1.12 0.00 0.00 29.99 29.92 1ri0 n HIS 53 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ri0 s GLU 54 N -5.17 2.23 0.09 -0.41 2.02 0.00 -4.94 118.70 112.52 1ri0 s GLU 54 Ca 0.13 -2.28 -0.00 0.00 0.02 0.00 0.00 54.97 52.84 1ri0 s GLU 54 Cb -0.06 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1ri0 s GLU 54 CO 0.17 -0.49 -0.01 0.99 0.02 0.00 0.00 175.26 175.94 1ri0 s THR 55 N -2.85 0.32 0.04 3.63 2.01 -1.26 -0.46 115.64 117.06 1ri0 s THR 55 Ca 0.15 -1.87 -0.27 0.00 0.31 0.00 0.00 61.69 60.01 1ri0 s THR 55 Cb -0.00 -1.74 0.09 0.00 0.01 0.00 0.00 72.50 70.86 1ri0 s THR 55 CO 0.09 -0.79 1.21 0.00 -0.69 0.00 0.00 174.62 174.44 1ri0 s ALA 56 N -3.88 -2.21 -0.37 7.40 0.00 -0.33 -4.97 121.76 117.40 1ri0 s ALA 56 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1ri0 s ALA 56 Cb 0.07 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.13 1ri0 s ALA 56 CO -0.05 -1.13 0.14 -0.59 0.00 0.00 0.00 175.76 174.13 1ri0 s PHE 57 N -2.05 3.40 0.47 0.00 -0.71 -1.26 -0.54 117.98 117.29 1ri0 s PHE 57 Ca 0.27 -1.95 0.02 0.00 -1.04 0.00 0.00 56.93 54.24 1ri0 s PHE 57 Cb -0.01 -2.69 -0.02 0.00 -1.21 0.00 0.00 43.02 39.08 1ri0 s PHE 57 CO 0.01 -0.86 0.04 -0.51 -1.34 0.00 0.00 175.22 172.56 1ri0 s LEU 58 N 1.26 2.24 0.00 -1.99 1.43 0.30 -4.91 118.68 117.02 1ri0 s LEU 58 Ca 0.02 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 51.48 1ri0 s LEU 58 Cb -0.21 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1ri0 s LEU 58 CO -0.01 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.34 1ri0 n GLY 59 N -1.12 6.70 0.16 -3.19 0.00 -1.26 -1.23 105.19 105.26 1ri0 n GLY 59 Ca -0.14 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 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 0.51 -0.72 1.61 0.13 -1.97 -3.11 132.00 128.46 1ri0 h PRO 60 Ca 0.00 -0.50 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1ri0 h PRO 60 Cb 0.00 0.13 -0.05 0.00 0.13 0.00 0.00 31.00 31.21 1ri0 h PRO 60 CO 0.00 1.14 0.44 1.57 -0.23 0.00 0.00 178.00 180.92 1ri0 h LYS 61 N 0.08 0.81 0.00 0.86 2.10 -2.00 0.43 116.57 118.85 1ri0 h LYS 61 Ca -0.07 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1ri0 h LYS 61 Cb 1.34 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1ri0 h LYS 61 CO 0.13 0.54 0.00 -0.25 -2.00 0.00 0.00 179.45 177.87 1ri0 n ASP 62 N -4.69 0.26 -4.26 7.07 8.00 -1.23 -4.31 116.55 117.40 1ri0 n ASP 62 Ca 0.08 0.59 -0.35 0.00 0.71 0.00 0.00 54.79 55.82 1ri0 n ASP 62 Cb 0.12 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 1ri0 n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ri0 s LEU 63 N -3.64 3.23 -0.08 0.64 2.96 0.15 -0.65 118.68 121.29 1ri0 s LEU 63 Ca 0.02 -0.68 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1ri0 s LEU 63 Cb 0.06 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1ri0 s LEU 63 CO 0.20 -0.11 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.68 1ri0 s PHE 64 N 1.41 2.92 0.91 5.38 0.40 -0.45 -4.84 117.98 123.71 1ri0 s PHE 64 Ca 0.03 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.17 1ri0 s PHE 64 Cb -0.16 -1.74 0.14 0.00 0.51 0.00 0.00 43.02 41.77 1ri0 s PHE 64 CO -0.03 0.25 1.14 -1.25 0.70 0.00 0.00 175.22 176.03 1ri0 s PRO 65 N -0.61 1.11 -0.01 0.24 0.04 -1.26 -2.09 135.00 132.43 1ri0 s PRO 65 Ca 0.09 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.28 1ri0 s PRO 65 Cb -0.12 -1.84 -0.34 0.00 0.04 0.00 0.00 34.50 32.25 1ri0 s PRO 65 CO 0.02 -2.22 0.86 -0.92 0.04 0.00 0.00 177.00 174.78 1ri0 h TYR 66 N -1.51 0.87 -0.29 0.56 3.20 -1.97 -2.58 116.97 115.25 1ri0 h TYR 66 Ca -0.51 -0.64 0.07 0.00 3.14 0.00 0.00 58.73 60.80 1ri0 h TYR 66 Cb 1.33 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 1ri0 h TYR 66 CO 0.28 1.60 -0.18 0.93 -1.64 0.00 0.00 178.16 179.15 1ri0 h GLU 67 N 0.11 -0.15 -0.15 1.82 5.08 -1.97 1.25 114.58 120.57 1ri0 h GLU 67 Ca -0.29 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1ri0 h GLU 67 Cb 2.12 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.40 1ri0 h GLU 67 CO 0.23 -0.10 -0.06 0.93 -1.00 0.00 0.00 179.01 179.01 1ri0 h GLU 68 N -0.16 0.30 -0.22 2.33 5.08 -1.98 -0.50 114.58 119.44 1ri0 h GLU 68 Ca 0.15 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1ri0 h GLU 68 Cb 0.39 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1ri0 h GLU 68 CO -0.38 0.62 -0.08 0.66 -1.00 0.00 0.00 179.01 178.82 1ri0 h SER 69 N -0.03 -0.29 0.71 1.42 4.64 -0.98 0.31 113.55 119.33 1ri0 h SER 69 Ca 0.03 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ri0 h SER 69 Cb 0.53 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1ri0 h SER 69 CO 0.02 -0.11 0.00 0.07 -0.87 0.00 0.00 176.83 175.94 1ri0 h LYS 70 N -0.04 0.00 -0.27 4.77 2.10 0.16 0.50 116.57 123.79 1ri0 h LYS 70 Ca 0.11 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.68 1ri0 h LYS 70 Cb 0.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 1ri0 h LYS 70 CO -0.25 0.00 -0.16 1.49 -2.00 0.00 0.00 179.45 178.53 1ri0 h GLU 71 N 0.00 0.58 0.00 0.07 4.81 0.13 -3.41 114.58 116.76 1ri0 h GLU 71 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1ri0 h GLU 71 Cb 0.36 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ri0 h GLU 71 CO 0.00 0.84 -0.13 0.36 -0.73 0.00 0.00 179.01 179.35 1ri0 n LYS 72 N -4.42 0.07 0.00 1.92 2.85 -0.81 -5.08 118.16 112.68 1ri0 n LYS 72 Ca -0.04 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1ri0 n LYS 72 Cb 0.38 -0.49 0.00 0.00 -0.65 0.00 0.00 35.03 34.27 1ri0 n LYS 72 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ri0 n PHE 73 N -2.81 0.00 -1.21 5.58 3.72 0.16 -5.02 117.46 117.88 1ri0 n PHE 73 Ca -0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.31 1ri0 n PHE 73 Cb 0.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1ri0 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ri0 n GLY 74 N 1.87 0.94 2.98 1.37 0.00 -0.03 -3.92 105.19 108.40 1ri0 n GLY 74 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1ri0 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ri0 s LYS 75 N -2.49 1.83 1.00 1.61 -0.14 -1.26 -4.85 119.74 115.44 1ri0 s LYS 75 Ca 0.00 -2.35 -0.15 0.00 -1.36 0.00 0.00 55.97 52.12 1ri0 s LYS 75 Cb 0.00 -3.30 0.19 0.00 -1.68 0.00 0.00 37.83 33.04 1ri0 s LYS 75 CO 0.00 -1.05 1.18 -1.25 -0.76 0.00 0.00 175.35 173.47 1ri0 s PRO 76 N 0.16 0.43 -0.05 -1.68 0.04 -1.26 -4.91 135.00 127.74 1ri0 s PRO 76 Ca 0.15 0.03 -0.37 0.00 0.04 0.00 0.00 61.00 60.84 1ri0 s PRO 76 Cb -0.23 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.37 1ri0 s PRO 76 CO -0.03 -2.63 1.54 0.09 0.04 0.00 0.00 177.00 176.02 1ri0 n ASN 77 N -4.01 2.17 -4.55 6.66 3.02 -1.26 -4.82 115.26 112.46 1ri0 n ASN 77 Ca 0.10 1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 55.32 1ri0 n ASN 77 Cb 0.59 -1.21 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 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 1.86 3.74 0.29 3.52 -0.14 -1.26 -4.82 119.74 122.93 1ri0 s LYS 78 Ca 0.89 -1.52 0.05 0.00 -1.36 0.00 0.00 55.97 54.03 1ri0 s LYS 78 Cb -0.95 -5.36 0.05 0.00 -1.68 0.00 0.00 37.83 29.88 1ri0 s LYS 78 CO 0.53 -2.17 0.40 0.54 -0.76 0.00 0.00 175.35 173.89 1ri0 n ARG 79 N 8.39 0.80 -0.04 1.68 5.12 -1.26 -4.96 116.66 126.39 1ri0 n ARG 79 Ca 0.37 -1.54 -0.13 0.00 -1.93 0.00 0.00 57.85 54.63 1ri0 n ARG 79 Cb 0.49 -0.12 -0.07 0.00 -1.16 0.00 0.00 32.46 31.59 1ri0 n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1ri0 h LYS 80 N 0.00 0.23 0.00 5.56 3.64 -2.01 -2.48 116.57 121.52 1ri0 h LYS 80 Ca -0.13 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1ri0 h LYS 80 Cb 0.61 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ri0 h LYS 80 CO 0.19 0.58 0.00 0.41 -2.27 0.00 0.00 179.45 178.36 1ri0 n GLY 81 N -0.00 -1.00 0.10 5.01 0.00 -1.26 -2.61 105.19 105.42 1ri0 n GLY 81 Ca -0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 0.22 0.23 1.61 3.04 -1.77 -0.40 116.94 119.87 1ri0 h PHE 82 Ca 0.00 -0.16 -0.01 0.00 3.98 0.00 0.00 57.97 61.78 1ri0 h PHE 82 Cb 0.23 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1ri0 h PHE 82 CO 0.00 1.24 -0.11 1.03 -2.02 0.00 0.00 178.31 178.45 1ri0 h SER 83 N -0.72 -0.26 0.34 0.41 0.87 -1.37 0.10 113.55 112.92 1ri0 h SER 83 Ca -0.14 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.10 1ri0 h SER 83 Cb 1.34 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1ri0 h SER 83 CO 0.02 0.10 -0.45 1.05 -0.53 0.00 0.00 176.83 177.02 1ri0 h GLU 84 N -0.66 0.13 0.35 2.24 4.11 -1.68 -2.04 114.58 117.03 1ri0 h GLU 84 Ca -0.03 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 1ri0 h GLU 84 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ri0 h GLU 84 CO 0.05 0.56 -0.17 0.78 0.07 0.00 0.00 179.01 180.30 1ri0 h GLY 85 N 1.31 -0.48 1.94 1.06 0.00 -1.00 1.17 103.07 107.07 1ri0 h GLY 85 Ca 0.01 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.52 1ri0 h GLY 85 CO 0.06 -0.18 0.02 -2.00 0.00 0.00 0.00 176.54 174.45 1ri0 h LEU 86 N -0.78 0.00 0.00 3.11 7.12 -0.78 0.41 115.31 124.39 1ri0 h LEU 86 Ca -0.05 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 1ri0 h LEU 86 Cb 0.52 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1ri0 h LEU 86 CO 0.08 0.00 -0.73 -0.50 -0.13 0.00 0.00 178.44 177.15 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 6.55 -1.14 -1.26 115.95 121.35 1ri0 h TRP 87 Ca 0.01 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 1ri0 h TRP 87 Cb 0.06 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 1ri0 h TRP 87 CO 0.00 0.14 -0.26 0.93 -1.05 0.00 0.00 178.44 178.20 1ri0 h GLU 88 N 0.00 0.00 0.00 0.49 5.08 0.59 1.08 114.58 121.82 1ri0 h GLU 88 Ca -0.02 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.92 1ri0 h GLU 88 Cb 1.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 1ri0 h GLU 88 CO 0.01 0.26 -2.49 1.51 -1.00 0.00 0.00 179.01 177.30 1ri0 n ILE 89 N -3.40 1.51 0.11 3.13 0.00 -0.65 -3.38 119.36 116.69 1ri0 n ILE 89 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 62.75 62.22 1ri0 n ILE 89 Cb 0.46 -1.60 0.09 0.00 0.00 0.00 0.00 39.64 38.59 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 -0.37 0.01 -2.07 9.51 4.39 -1.27 -3.35 114.58 121.44 1ri0 h GLU 90 Ca -0.62 -0.01 -0.57 0.00 0.34 0.00 0.00 59.36 58.49 1ri0 h GLU 90 Cb 1.80 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 30.05 1ri0 h GLU 90 CO -0.21 0.73 -0.93 0.09 -1.16 0.00 0.00 179.01 177.53 1ri0 n ASN 91 N -3.69 1.45 -4.77 1.42 3.02 0.37 -5.02 115.26 108.03 1ri0 n ASN 91 Ca -0.01 -2.96 -0.38 0.00 -0.03 0.00 0.00 54.58 51.20 1ri0 n ASN 91 Cb 0.70 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1ri0 n ASN 91 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ri0 s ASN 92 N -1.65 6.82 0.14 6.41 2.20 -1.22 -4.34 114.94 123.30 1ri0 s ASN 92 Ca 0.37 2.16 -0.04 0.00 -0.94 0.00 0.00 52.86 54.40 1ri0 s ASN 92 Cb 0.16 -2.60 -0.06 0.00 -2.00 0.00 0.00 41.25 36.75 1ri0 s ASN 92 CO -0.08 -0.45 1.33 1.55 -2.94 0.00 0.00 177.10 176.51 1ri0 h PRO 93 N 2.83 0.44 -2.33 3.55 0.13 -1.91 -3.39 132.00 131.32 1ri0 h PRO 93 Ca -0.48 -0.44 -0.57 0.00 -0.87 0.00 0.00 66.00 63.64 1ri0 h PRO 93 Cb 1.22 0.11 -0.37 0.00 0.13 0.00 0.00 31.00 32.09 1ri0 h PRO 93 CO 0.63 1.09 -0.95 0.99 -0.23 0.00 0.00 178.00 179.53 1ri0 s THR 94 N -3.39 0.26 -0.54 1.56 2.01 -1.26 -5.08 115.64 109.21 1ri0 s THR 94 Ca -0.06 -2.50 -0.26 0.00 0.31 0.00 0.00 61.69 59.18 1ri0 s THR 94 Cb 0.09 -1.19 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 1ri0 s THR 94 CO 0.86 -1.17 2.44 0.55 -0.69 0.00 0.00 174.62 176.61 1ri0 n VAL 95 N 2.97 -0.08 0.08 3.82 3.14 -1.26 -4.75 118.33 122.24 1ri0 n VAL 95 Ca 0.28 -0.73 -0.01 0.00 -2.96 0.00 0.00 64.34 60.91 1ri0 n VAL 95 Cb 0.47 -2.60 0.26 0.00 -1.06 0.00 0.00 33.84 30.92 1ri0 n VAL 95 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1ri0 h LYS 96 N 18.81 0.31 -3.54 1.45 2.10 -1.99 -3.45 116.57 130.26 1ri0 h LYS 96 Ca -0.22 -0.11 -0.05 0.00 -2.00 0.00 0.00 60.65 58.27 1ri0 h LYS 96 Cb 1.26 -0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 32.47 1ri0 h LYS 96 CO 1.17 0.57 -0.10 0.00 -2.00 0.00 0.00 179.45 179.10 1ri0 s ALA 97 N -4.41 -0.51 0.42 0.07 0.00 -1.26 -5.08 121.76 110.99 1ri0 s ALA 97 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ri0 s ALA 97 Cb 0.14 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1ri0 s ALA 97 CO 0.77 -0.78 0.00 0.43 0.00 0.00 0.00 175.76 176.18 1ri0 n SER 98 N -0.32 -3.52 -1.69 0.00 7.64 -1.26 -5.14 113.62 109.33 1ri0 n SER 98 Ca -0.07 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1ri0 n SER 98 Cb 0.62 3.32 0.00 0.00 -1.01 0.00 0.00 64.21 67.15 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ri0 n GLY 99 N -1.18 1.17 0.73 0.23 0.00 -1.26 -4.99 105.19 99.89 1ri0 n GLY 99 Ca 0.00 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.45 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30