#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 -0.00 -0.20 7.83 1.04 -1.26 -5.13 113.70 115.98 1ri0 s SER 2 Ca 0.00 -0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.06 1ri0 s SER 2 Cb 0.00 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1ri0 s SER 2 CO 0.00 -0.31 0.81 0.00 0.98 0.00 0.00 173.24 174.71 1ri0 s ARG 3 N -1.13 4.24 0.39 4.02 1.70 -1.26 -5.05 118.95 121.87 1ri0 s ARG 3 Ca -0.12 0.94 0.08 0.00 -0.47 0.00 0.00 55.73 56.15 1ri0 s ARG 3 Cb -0.07 -3.60 -0.05 0.00 -0.57 0.00 0.00 34.95 30.66 1ri0 s ARG 3 CO 0.01 -0.39 0.14 -1.54 -1.08 0.00 0.00 175.30 172.44 1ri0 s SER 4 N 1.23 4.40 1.19 -2.89 1.04 -1.26 -5.05 113.70 112.37 1ri0 s SER 4 Ca 0.36 -1.03 -0.15 0.00 0.48 0.00 0.00 55.95 55.61 1ri0 s SER 4 Cb -0.16 -0.52 0.25 0.00 0.10 0.00 0.00 66.02 65.68 1ri0 s SER 4 CO 0.10 -0.45 0.67 -0.46 0.98 0.00 0.00 173.24 174.08 1ri0 n ASN 5 N -1.17 -2.20 -3.50 7.02 6.94 -1.26 -5.00 115.26 116.10 1ri0 n ASN 5 Ca -0.02 -0.23 -0.26 0.00 -0.02 0.00 0.00 54.58 54.05 1ri0 n ASN 5 Cb 0.64 -1.13 0.20 0.00 -2.36 0.00 0.00 39.78 37.13 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 -4.12 -2.23 -0.04 -3.83 0.00 -1.26 -5.03 116.66 100.14 1ri0 n ARG 6 Ca 0.02 -1.61 -0.07 0.00 -0.00 0.00 0.00 57.85 56.19 1ri0 n ARG 6 Cb 0.57 -1.34 -0.04 0.00 -0.00 0.00 0.00 32.46 31.65 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 -4.05 0.22 0.00 2.89 0.00 -1.26 -4.93 117.38 110.24 1ri0 n GLN 7 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.19 1ri0 n GLN 7 Cb 0.51 -1.12 0.00 0.00 0.00 0.00 0.00 30.24 29.63 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 -2.87 0.00 -2.44 2.61 0.00 -1.26 -5.05 118.16 109.15 1ri0 n LYS 8 Ca -0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.72 1ri0 n LYS 8 Cb 0.66 -0.48 -0.02 0.00 -0.00 0.00 0.00 35.03 35.18 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 4.06 -0.07 -1.58 -1.05 -1.26 -5.00 118.70 112.80 1ri0 s GLU 9 Ca 0.00 1.41 -0.01 0.00 -0.15 0.00 0.00 54.97 56.22 1ri0 s GLU 9 Cb 0.00 -3.82 0.03 0.00 -0.44 0.00 0.00 34.13 29.90 1ri0 s GLU 9 CO 0.00 -0.93 0.01 1.52 0.95 0.00 0.00 175.26 176.81 1ri0 s TYR 10 N 3.97 0.57 0.35 4.83 1.13 -1.26 -4.63 117.35 122.31 1ri0 s TYR 10 Ca 0.55 -0.10 0.06 0.00 -1.41 0.00 0.00 57.07 56.17 1ri0 s TYR 10 Cb -0.18 -0.75 -0.02 0.00 -1.10 0.00 0.00 41.96 39.90 1ri0 s TYR 10 CO 0.19 -0.31 0.23 1.63 -2.51 0.00 0.00 175.55 174.78 1ri0 n LYS 11 N 5.17 0.46 -1.38 -3.49 5.02 -1.26 -5.05 118.16 117.63 1ri0 n LYS 11 Ca -0.07 -3.29 -0.45 0.00 -2.02 0.00 0.00 58.31 52.48 1ri0 n LYS 11 Cb 0.50 2.37 -0.02 0.00 -0.02 0.00 0.00 35.03 37.86 1ri0 n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ri0 n GLY 13 N 2.06 0.76 3.64 0.00 0.00 -1.26 -5.04 105.19 105.35 1ri0 n GLY 13 Ca 0.15 0.00 -0.35 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 -2.76 5.80 -0.14 1.61 2.15 -0.36 -3.51 116.67 119.46 1ri0 s ASP 14 Ca 0.00 0.09 -0.03 0.00 0.43 0.00 0.00 52.55 53.04 1ri0 s ASP 14 Cb 0.00 -2.01 -0.03 0.00 -0.30 0.00 0.00 42.92 40.58 1ri0 s ASP 14 CO 0.00 0.13 -0.03 -0.22 -0.17 0.00 0.00 175.17 174.88 1ri0 s LEU 15 N 0.63 3.30 0.37 -1.34 1.98 -1.25 -0.03 118.68 122.34 1ri0 s LEU 15 Ca 0.05 -0.08 -0.04 0.00 -2.89 0.00 0.00 54.13 51.17 1ri0 s LEU 15 Cb -0.13 -1.78 0.02 0.00 0.66 0.00 0.00 46.19 44.95 1ri0 s LEU 15 CO 0.01 0.21 0.55 0.68 -1.89 0.00 0.00 176.35 175.91 1ri0 s VAL 16 N 0.10 0.00 -0.24 1.68 -7.23 -0.95 -4.97 120.40 108.80 1ri0 s VAL 16 Ca -0.00 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.49 1ri0 s VAL 16 Cb -0.13 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 1ri0 s VAL 16 CO 0.03 0.00 0.55 -0.36 -0.31 0.00 0.00 175.10 175.01 1ri0 s PHE 17 N -2.74 3.30 0.00 2.82 0.08 -0.92 -1.74 117.98 118.79 1ri0 s PHE 17 Ca 0.28 0.73 0.05 0.00 0.12 0.00 0.00 56.93 58.12 1ri0 s PHE 17 Cb -0.02 -2.74 -0.02 0.00 -0.57 0.00 0.00 43.02 39.67 1ri0 s PHE 17 CO 0.20 -0.24 -0.17 0.00 -0.10 0.00 0.00 175.22 174.91 1ri0 s ALA 18 N 2.18 1.42 0.24 5.36 0.00 0.79 0.28 121.76 132.03 1ri0 s ALA 18 Ca 0.24 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.50 1ri0 s ALA 18 Cb -0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1ri0 s ALA 18 CO 0.09 0.33 -0.03 -1.59 0.00 0.00 0.00 175.76 174.57 1ri0 s LYS 19 N -0.61 2.25 0.15 0.00 0.00 -0.70 0.23 119.74 121.06 1ri0 s LYS 19 Ca 0.06 -1.36 0.05 0.00 0.00 0.00 0.00 55.97 54.72 1ri0 s LYS 19 Cb -0.07 -2.18 -0.04 0.00 0.00 0.00 0.00 37.83 35.54 1ri0 s LYS 19 CO -0.00 0.39 -0.12 1.41 0.00 0.00 0.00 175.35 177.03 1ri0 s MET 20 N -3.42 1.10 -0.06 1.78 1.75 -0.96 -4.88 119.30 114.61 1ri0 s MET 20 Ca 0.30 -1.44 -0.32 0.00 -1.25 0.00 0.00 55.69 52.98 1ri0 s MET 20 Cb -0.07 -0.76 -0.10 0.00 2.84 0.00 0.00 34.83 36.74 1ri0 s MET 20 CO 0.19 0.11 1.97 1.17 -0.65 0.00 0.00 175.02 177.81 1ri0 n LYS 21 N -0.11 2.39 0.00 4.11 4.81 -1.26 0.43 118.16 128.54 1ri0 n LYS 21 Ca -0.11 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1ri0 n LYS 21 Cb 0.60 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 4.69 2.91 3.54 3.14 0.00 -1.26 -5.00 105.19 113.21 1ri0 n GLY 22 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.96 2.93 0.63 1.61 5.04 0.17 -5.11 117.35 120.65 1ri0 s TYR 23 Ca 0.00 -0.11 -0.14 0.00 -2.44 0.00 0.00 57.07 54.39 1ri0 s TYR 23 Cb 0.00 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.52 1ri0 s TYR 23 CO 0.00 0.21 1.05 -1.25 -1.34 0.00 0.00 175.55 174.22 1ri0 s PRO 24 N -0.49 3.22 -0.46 4.97 0.04 -1.26 -2.26 135.00 138.75 1ri0 s PRO 24 Ca 0.07 1.08 -0.42 0.00 0.04 0.00 0.00 61.00 61.77 1ri0 s PRO 24 Cb -0.12 -2.02 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 1ri0 s PRO 24 CO 0.02 -0.88 2.10 0.72 0.04 0.00 0.00 177.00 179.00 1ri0 n HIS 25 N -2.44 1.32 -4.37 0.56 8.25 -1.26 -4.50 115.22 112.78 1ri0 n HIS 25 Ca 0.08 0.69 -0.25 0.00 -0.26 0.00 0.00 57.72 57.98 1ri0 n HIS 25 Cb 0.53 -2.34 -0.10 0.00 1.12 0.00 0.00 29.99 29.21 1ri0 n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1ri0 s TRP 26 N 5.97 2.49 -0.58 4.41 -0.00 0.14 -4.63 118.94 126.74 1ri0 s TRP 26 Ca 1.16 -0.28 -0.28 0.00 -0.00 0.00 0.00 56.10 56.71 1ri0 s TRP 26 Cb -1.36 -1.16 0.01 0.00 -0.00 0.00 0.00 33.47 30.96 1ri0 s TRP 26 CO 0.64 0.59 1.51 -1.25 -0.00 0.00 0.00 176.95 178.44 1ri0 s PRO 27 N -3.17 3.16 0.02 5.86 0.04 -1.26 -0.15 135.00 139.51 1ri0 s PRO 27 Ca 0.27 0.47 0.08 0.00 0.04 0.00 0.00 61.00 61.86 1ri0 s PRO 27 Cb -0.07 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 1ri0 s PRO 27 CO 0.15 -2.11 -0.24 0.00 0.04 0.00 0.00 177.00 174.84 1ri0 s ALA 28 N 6.66 2.02 -0.09 8.56 0.00 -0.71 -2.20 121.76 136.00 1ri0 s ALA 28 Ca 0.55 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1ri0 s ALA 28 Cb -0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1ri0 s ALA 28 CO 0.23 0.48 0.19 0.50 0.00 0.00 0.00 175.76 177.16 1ri0 s ARG 29 N -0.96 3.52 0.51 0.00 3.52 0.17 -2.23 118.95 123.47 1ri0 s ARG 29 Ca 0.10 -0.05 -0.23 0.00 -0.13 0.00 0.00 55.73 55.42 1ri0 s ARG 29 Cb -0.09 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1ri0 s ARG 29 CO 0.01 0.76 1.31 -1.50 -0.81 0.00 0.00 175.30 175.07 1ri0 s ILE 30 N -1.06 2.37 -0.13 4.11 -1.16 0.96 -0.70 121.20 125.58 1ri0 s ILE 30 Ca 0.18 0.28 -0.27 0.00 -0.51 0.00 0.00 60.65 60.33 1ri0 s ILE 30 Cb -0.13 -3.15 0.06 0.00 0.61 0.00 0.00 42.46 39.86 1ri0 s ILE 30 CO 0.07 0.00 0.65 -1.81 -2.81 0.00 0.00 174.94 171.04 1ri0 s ASP 31 N -1.00 -0.64 0.30 4.50 1.11 0.70 -4.05 116.67 117.59 1ri0 s ASP 31 Ca 0.68 0.94 0.01 0.00 0.18 0.00 0.00 52.55 54.35 1ri0 s ASP 31 Cb -0.38 0.87 -0.04 0.00 1.07 0.00 0.00 42.92 44.45 1ri0 s ASP 31 CO 0.45 -0.44 0.49 -0.70 1.18 0.00 0.00 175.17 176.16 1ri0 s GLU 32 N -0.55 3.49 -0.31 8.23 2.12 -1.26 -0.14 118.70 130.28 1ri0 s GLU 32 Ca -0.07 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.60 1ri0 s GLU 32 Cb -0.02 -2.73 -0.00 0.00 0.26 0.00 0.00 34.13 31.64 1ri0 s GLU 32 CO 0.06 0.24 1.42 0.00 -0.54 0.00 0.00 175.26 176.43 1ri0 s MET 33 N -4.05 3.78 0.12 4.30 0.23 -1.26 -4.69 119.30 117.73 1ri0 s MET 33 Ca 0.39 1.26 -0.30 0.00 -1.03 0.00 0.00 55.69 56.01 1ri0 s MET 33 Cb -0.10 -3.96 -0.07 0.00 -1.53 0.00 0.00 34.83 29.17 1ri0 s MET 33 CO 0.33 -1.31 1.14 -1.25 -2.03 0.00 0.00 175.02 171.91 1ri0 s PRO 34 N 4.54 4.52 -0.62 3.16 0.04 -1.26 -4.94 135.00 140.44 1ri0 s PRO 34 Ca 0.62 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1ri0 s PRO 34 Cb -0.18 -3.31 0.49 0.00 0.04 0.00 0.00 34.50 31.54 1ri0 s PRO 34 CO 0.27 -0.08 1.99 -0.85 0.04 0.00 0.00 177.00 178.37 1ri0 n GLU 35 N 3.05 2.64 -0.03 4.56 0.28 -1.26 -4.18 120.64 125.71 1ri0 n GLU 35 Ca 0.05 -3.27 -0.07 0.00 -0.16 0.00 0.00 57.16 53.71 1ri0 n GLU 35 Cb 0.46 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 31.04 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 -0.95 2.13 -0.13 -1.84 0.00 -1.26 -4.72 120.51 113.74 1ri0 n ALA 36 Ca 0.62 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 1ri0 n ALA 36 Cb 0.84 0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.49 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 -0.43 0.53 -2.71 0.00 0.00 -2.02 -3.46 119.26 111.16 1ri0 h ALA 37 Ca -0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 1ri0 h ALA 37 Cb 0.72 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 1ri0 h ALA 37 CO -0.06 0.45 -0.46 0.14 0.00 0.00 0.00 179.25 179.32 1ri0 s VAL 38 N -4.67 0.00 -0.89 0.00 -7.23 -1.26 -5.08 120.40 101.28 1ri0 s VAL 38 Ca -0.12 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1ri0 s VAL 38 Cb 0.10 -2.45 0.31 0.00 0.56 0.00 0.00 36.38 34.90 1ri0 s VAL 38 CO 0.83 0.00 1.38 0.29 -0.31 0.00 0.00 175.10 177.28 1ri0 n LYS 39 N -0.37 4.26 -0.45 4.82 5.02 -1.26 -4.00 118.16 126.19 1ri0 n LYS 39 Ca 0.02 -4.68 -0.30 0.00 -2.02 0.00 0.00 58.31 51.33 1ri0 n LYS 39 Cb 0.64 -2.40 0.28 0.00 -0.02 0.00 0.00 35.03 33.53 1ri0 n LYS 39 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ri0 s SER 40 N -2.09 -0.74 0.43 4.39 0.01 -1.26 -5.05 113.70 109.38 1ri0 s SER 40 Ca 0.39 0.89 0.07 0.00 1.31 0.00 0.00 55.95 58.61 1ri0 s SER 40 Cb 0.16 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 1ri0 s SER 40 CO -0.04 -5.17 0.20 -0.89 0.41 0.00 0.00 173.24 167.74 1ri0 s THR 41 N -2.36 2.18 -0.20 1.44 2.01 -1.26 -5.02 115.64 112.44 1ri0 s THR 41 Ca 0.69 -1.68 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1ri0 s THR 41 Cb -0.14 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1ri0 s THR 41 CO 0.58 0.00 0.08 0.00 -0.69 0.00 0.00 174.62 174.59 1ri0 s ALA 42 N -2.63 3.39 0.00 7.40 0.00 -1.26 -4.62 121.76 124.04 1ri0 s ALA 42 Ca 0.38 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1ri0 s ALA 42 Cb 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1ri0 s ALA 42 CO 0.21 0.03 0.00 0.27 0.00 0.00 0.00 175.76 176.27 1ri0 n ASN 43 N 3.85 0.00 -4.67 0.00 0.23 -1.26 -5.15 115.26 108.26 1ri0 n ASN 43 Ca -0.16 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.59 1ri0 n ASN 43 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 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 2.05 -0.07 -3.83 -2.85 -1.26 -5.08 119.74 108.70 1ri0 s LYS 44 Ca 0.00 -2.21 0.05 0.00 -1.00 0.00 0.00 55.97 52.81 1ri0 s LYS 44 Cb 0.00 -1.60 -0.01 0.00 -2.06 0.00 0.00 37.83 34.15 1ri0 s LYS 44 CO 0.00 -0.16 -0.23 1.52 0.10 0.00 0.00 175.35 176.58 1ri0 s TYR 45 N -2.77 2.51 -0.28 1.78 -0.85 -0.87 -4.81 117.35 112.06 1ri0 s TYR 45 Ca 0.25 -0.68 -0.29 0.00 -0.52 0.00 0.00 57.07 55.83 1ri0 s TYR 45 Cb 0.07 -1.63 -0.00 0.00 0.38 0.00 0.00 41.96 40.77 1ri0 s TYR 45 CO 0.13 -0.19 1.34 -1.14 -1.52 0.00 0.00 175.55 174.17 1ri0 s GLN 46 N -0.14 3.92 -0.06 -3.49 0.74 0.80 -1.72 119.66 119.71 1ri0 s GLN 46 Ca -0.04 1.33 -0.14 0.00 0.05 0.00 0.00 55.36 56.56 1ri0 s GLN 46 Cb -0.14 -3.89 -0.05 0.00 1.10 0.00 0.00 33.01 30.03 1ri0 s GLN 46 CO 0.04 -1.11 0.35 0.54 -0.55 0.00 0.00 175.29 174.56 1ri0 s VAL 47 N 4.41 5.18 -0.45 1.34 0.11 0.15 -0.21 120.40 130.92 1ri0 s VAL 47 Ca 0.58 0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 60.30 1ri0 s VAL 47 Cb -0.18 -3.66 0.12 0.00 -1.53 0.00 0.00 36.38 31.13 1ri0 s VAL 47 CO 0.23 0.52 0.24 0.12 -3.33 0.00 0.00 175.10 172.88 1ri0 s PHE 48 N -0.58 3.55 -0.17 1.54 5.36 0.12 0.00 117.98 127.81 1ri0 s PHE 48 Ca 0.21 -2.56 -0.29 0.00 -0.96 0.00 0.00 56.93 53.32 1ri0 s PHE 48 Cb -0.15 -3.18 -0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1ri0 s PHE 48 CO 0.10 -0.94 1.08 -0.06 -1.46 0.00 0.00 175.22 173.94 1ri0 s PHE 49 N 0.82 3.31 -0.11 10.12 0.40 0.11 0.43 117.98 133.06 1ri0 s PHE 49 Ca 0.11 1.42 -0.10 0.00 -0.60 0.00 0.00 56.93 57.75 1ri0 s PHE 49 Cb -0.22 -3.29 -0.09 0.00 0.51 0.00 0.00 43.02 39.92 1ri0 s PHE 49 CO -0.04 -0.66 0.29 0.74 0.70 0.00 0.00 175.22 176.25 1ri0 h PHE 50 N 7.46 -0.01 -0.99 0.36 -1.00 -1.70 0.85 116.94 121.90 1ri0 h PHE 50 Ca -0.25 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.67 1ri0 h PHE 50 Cb 1.10 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.52 1ri0 h PHE 50 CO 0.74 0.33 -0.45 0.78 -1.61 0.00 0.00 178.31 178.11 1ri0 h GLY 51 N -1.00 -0.19 2.00 -1.45 0.00 -1.75 0.48 103.07 101.16 1ri0 h GLY 51 Ca -0.00 0.60 -0.18 0.00 0.00 0.00 0.00 47.33 47.75 1ri0 h GLY 51 CO 0.00 -0.13 -0.84 -0.91 0.00 0.00 0.00 176.54 174.66 1ri0 h THR 52 N -0.01 1.50 -1.99 4.70 1.35 -1.86 -3.44 112.91 113.16 1ri0 h THR 52 Ca 0.29 -2.98 -0.12 0.00 -0.55 0.00 0.00 66.41 63.06 1ri0 h THR 52 Cb 0.55 2.65 0.03 0.00 -1.73 0.00 0.00 68.15 69.65 1ri0 h THR 52 CO -0.97 0.82 -0.18 1.57 -0.25 0.00 0.00 175.52 176.51 1ri0 n HIS 53 N -3.39 -0.69 -4.18 4.73 -0.00 0.17 -5.04 115.22 106.81 1ri0 n HIS 53 Ca 0.00 0.22 -0.11 0.00 0.46 0.00 0.00 57.72 58.29 1ri0 n HIS 53 Cb 0.85 -2.08 -0.10 0.00 -0.12 0.00 0.00 29.99 28.54 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 -5.10 0.96 0.24 1.57 2.02 -0.20 -4.98 118.70 113.20 1ri0 s GLU 54 Ca 0.13 -1.44 0.07 0.00 0.02 0.00 0.00 54.97 53.74 1ri0 s GLU 54 Cb -0.06 -0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 1ri0 s GLU 54 CO 0.16 -0.17 0.21 0.99 0.02 0.00 0.00 175.26 176.46 1ri0 s THR 55 N -3.83 4.53 0.35 3.63 2.01 -1.26 0.10 115.64 121.17 1ri0 s THR 55 Ca 0.21 -1.33 -0.09 0.00 0.31 0.00 0.00 61.69 60.79 1ri0 s THR 55 Cb 0.07 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 69.18 1ri0 s THR 55 CO 0.01 -0.32 0.63 0.00 -0.69 0.00 0.00 174.62 174.24 1ri0 n ALA 56 N -1.11 -1.13 -4.02 7.40 0.00 0.10 -4.93 120.51 116.82 1ri0 n ALA 56 Ca -0.08 -1.31 -0.31 0.00 0.00 0.00 0.00 53.44 51.74 1ri0 n ALA 56 Cb 0.57 1.05 -0.15 0.00 0.00 0.00 0.00 19.45 20.93 1ri0 n ALA 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ri0 s PHE 57 N -2.82 3.70 0.44 0.00 0.08 -1.26 0.35 117.98 118.46 1ri0 s PHE 57 Ca 0.20 -2.91 0.04 0.00 0.12 0.00 0.00 56.93 54.38 1ri0 s PHE 57 Cb -0.03 -2.81 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1ri0 s PHE 57 CO 0.14 -0.94 0.13 -0.51 -0.10 0.00 0.00 175.22 173.94 1ri0 s LEU 58 N 0.93 2.01 0.00 -0.37 1.43 -0.70 -4.93 118.68 117.06 1ri0 s LEU 58 Ca 0.08 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 1ri0 s LEU 58 Cb -0.19 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.89 1ri0 s LEU 58 CO -0.08 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.13 1ri0 n GLY 59 N -1.00 4.86 0.22 -3.19 0.00 -1.26 -2.05 105.19 102.76 1ri0 n GLY 59 Ca -0.08 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 0.00 1.61 0.13 -1.98 -2.75 132.00 129.02 1ri0 h PRO 60 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1ri0 h PRO 60 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1ri0 h PRO 60 CO 0.00 0.00 -0.35 -0.22 -0.23 0.00 0.00 178.00 177.20 1ri0 h LYS 61 N 0.00 0.00 -0.16 0.86 1.63 -2.02 -2.27 116.57 114.61 1ri0 h LYS 61 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ri0 h LYS 61 Cb 0.70 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1ri0 h LYS 61 CO 0.00 0.35 0.00 -0.25 -3.45 0.00 0.00 179.45 176.10 1ri0 n ASP 62 N -3.47 2.78 -4.53 4.20 8.00 -1.05 -4.88 116.55 117.60 1ri0 n ASP 62 Ca 0.00 -1.89 -0.34 0.00 0.71 0.00 0.00 54.79 53.27 1ri0 n ASP 62 Cb 0.51 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.78 3.06 -0.02 0.64 1.98 -0.85 -1.73 118.68 119.98 1ri0 s LEU 63 Ca 0.33 -0.09 -0.00 0.00 -2.89 0.00 0.00 54.13 51.48 1ri0 s LEU 63 Cb 0.21 -1.67 0.03 0.00 0.66 0.00 0.00 46.19 45.41 1ri0 s LEU 63 CO 0.31 0.32 0.03 0.12 -1.89 0.00 0.00 176.35 175.23 1ri0 s PHE 64 N -0.55 0.02 0.90 5.38 5.36 0.14 -4.89 117.98 124.35 1ri0 s PHE 64 Ca 0.08 0.12 -0.12 0.00 -0.96 0.00 0.00 56.93 56.05 1ri0 s PHE 64 Cb -0.12 -0.19 0.13 0.00 -0.34 0.00 0.00 43.02 42.50 1ri0 s PHE 64 CO 0.02 -0.08 1.14 -1.25 -1.46 0.00 0.00 175.22 173.59 1ri0 s PRO 65 N 0.90 1.19 0.30 10.12 0.04 -1.26 -2.17 135.00 144.12 1ri0 s PRO 65 Ca -0.08 0.30 0.01 0.00 0.04 0.00 0.00 61.00 61.27 1ri0 s PRO 65 Cb -0.11 -1.84 0.47 0.00 0.04 0.00 0.00 34.50 33.06 1ri0 s PRO 65 CO -0.03 -2.16 1.85 -0.92 0.04 0.00 0.00 177.00 175.78 1ri0 h TYR 66 N -1.48 0.76 0.06 0.56 3.20 -1.97 0.40 116.97 118.51 1ri0 h TYR 66 Ca -0.50 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.30 1ri0 h TYR 66 Cb 1.33 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1ri0 h TYR 66 CO 0.30 0.65 -0.03 0.93 -1.64 0.00 0.00 178.16 178.37 1ri0 h GLU 67 N 0.71 -0.08 -0.04 1.82 5.08 -1.96 0.55 114.58 120.66 1ri0 h GLU 67 Ca 0.16 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ri0 h GLU 67 Cb 0.29 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ri0 h GLU 67 CO 0.00 0.06 -0.02 1.49 -1.00 0.00 0.00 179.01 179.54 1ri0 h GLU 68 N -0.19 0.09 0.06 2.33 4.57 -1.88 -0.49 114.58 119.06 1ri0 h GLU 68 Ca -0.01 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1ri0 h GLU 68 Cb 0.17 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1ri0 h GLU 68 CO 0.01 0.47 -0.21 0.66 -1.18 0.00 0.00 179.01 178.77 1ri0 h SER 69 N -0.30 -0.60 0.36 1.04 4.64 -0.17 0.15 113.55 118.67 1ri0 h SER 69 Ca 0.01 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1ri0 h SER 69 Cb 0.45 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1ri0 h SER 69 CO 0.01 -0.28 0.00 0.07 -0.87 0.00 0.00 176.83 175.75 1ri0 h LYS 70 N -0.37 0.00 -0.00 4.77 5.09 0.09 2.26 116.57 128.41 1ri0 h LYS 70 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.78 1ri0 h LYS 70 Cb 0.41 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.74 1ri0 h LYS 70 CO -0.15 0.00 0.00 1.49 -2.09 0.00 0.00 179.45 178.70 1ri0 h GLU 71 N 0.00 0.00 0.00 0.07 4.81 0.10 -3.39 114.58 116.18 1ri0 h GLU 71 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ri0 h GLU 71 Cb 0.18 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1ri0 h GLU 71 CO 0.00 0.15 -0.08 1.17 -0.73 0.00 0.00 179.01 179.52 1ri0 n LYS 72 N -5.02 0.06 0.03 1.92 3.00 -0.90 -4.99 118.16 112.27 1ri0 n LYS 72 Ca -0.07 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1ri0 n LYS 72 Cb 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.28 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 -2.61 -0.54 -0.98 5.64 -1.74 0.26 -5.00 117.46 112.49 1ri0 n PHE 73 Ca -0.01 0.10 0.00 0.00 -0.56 0.00 0.00 57.45 56.97 1ri0 n PHE 73 Cb 0.04 0.37 0.00 0.00 1.52 0.00 0.00 39.48 41.41 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 2.00 0.01 2.64 4.97 0.00 0.74 -4.49 105.19 111.07 1ri0 n GLY 74 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.91 0.82 1.01 1.61 -2.85 -1.26 -4.75 119.74 112.41 1ri0 s LYS 75 Ca 0.00 -1.39 -0.16 0.00 -1.00 0.00 0.00 55.97 53.42 1ri0 s LYS 75 Cb 0.00 -1.86 0.20 0.00 -2.06 0.00 0.00 37.83 34.11 1ri0 s LYS 75 CO 0.00 -1.10 1.19 -1.25 0.10 0.00 0.00 175.35 174.29 1ri0 s PRO 76 N 1.11 0.28 0.08 1.78 0.04 -1.26 -4.92 135.00 132.12 1ri0 s PRO 76 Ca 0.14 -0.04 -0.36 0.00 0.04 0.00 0.00 61.00 60.78 1ri0 s PRO 76 Cb -0.21 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.40 1ri0 s PRO 76 CO -0.12 -2.71 1.38 0.09 0.04 0.00 0.00 177.00 175.68 1ri0 n ASN 77 N -4.06 1.85 -4.53 6.66 3.02 -1.26 -4.83 115.26 112.11 1ri0 n ASN 77 Ca 0.11 1.11 -0.42 0.00 -0.03 0.00 0.00 54.58 55.35 1ri0 n ASN 77 Cb 0.59 -1.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.52 1ri0 n ASN 77 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ri0 s LYS 78 N 0.64 3.63 0.31 3.52 2.36 -1.26 -4.84 119.74 124.11 1ri0 s LYS 78 Ca 0.84 -1.41 0.05 0.00 -2.55 0.00 0.00 55.97 52.90 1ri0 s LYS 78 Cb -0.92 -5.23 0.05 0.00 -1.05 0.00 0.00 37.83 30.67 1ri0 s LYS 78 CO 0.46 -2.07 0.42 0.54 1.55 0.00 0.00 175.35 176.25 1ri0 n ARG 79 N 8.07 0.81 -0.03 4.03 5.12 -1.26 -4.96 116.66 128.43 1ri0 n ARG 79 Ca 0.32 -1.71 -0.13 0.00 -1.93 0.00 0.00 57.85 54.40 1ri0 n ARG 79 Cb 0.50 -0.10 -0.08 0.00 -1.16 0.00 0.00 32.46 31.62 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 0.17 0.00 5.56 3.11 -2.01 -2.52 116.57 120.89 1ri0 h LYS 80 Ca -0.15 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1ri0 h LYS 80 Cb 0.68 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1ri0 h LYS 80 CO 0.22 0.54 0.00 0.41 -2.81 0.00 0.00 179.45 177.81 1ri0 n GLY 81 N 0.02 -0.98 0.09 5.01 0.00 -1.26 -2.68 105.19 105.40 1ri0 n GLY 81 Ca -0.07 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 0.20 0.26 1.61 3.04 -1.79 -0.45 116.94 119.82 1ri0 h PHE 82 Ca 0.00 -0.15 -0.01 0.00 3.98 0.00 0.00 57.97 61.79 1ri0 h PHE 82 Cb 0.22 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1ri0 h PHE 82 CO 0.00 1.23 -0.12 0.77 -2.02 0.00 0.00 178.31 178.17 1ri0 h SER 83 N -0.74 -0.29 0.69 0.41 0.02 -1.37 0.18 113.55 112.45 1ri0 h SER 83 Ca -0.13 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.56 1ri0 h SER 83 Cb 1.32 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1ri0 h SER 83 CO 0.02 0.05 -0.35 1.05 -1.14 0.00 0.00 176.83 176.46 1ri0 h GLU 84 N -0.66 0.00 0.25 3.45 4.11 -1.69 -2.18 114.58 117.87 1ri0 h GLU 84 Ca -0.04 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 29.72 1ri0 h GLU 84 CO 0.06 0.35 -0.12 0.78 0.07 0.00 0.00 179.01 180.14 1ri0 h GLY 85 N 1.73 -0.35 2.00 1.06 0.00 -0.94 0.66 103.07 107.24 1ri0 h GLY 85 Ca -0.00 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ri0 h GLY 85 CO 0.04 -0.13 -0.00 -2.00 0.00 0.00 0.00 176.54 174.46 1ri0 h LEU 86 N -0.86 0.00 0.00 3.11 7.12 -0.65 0.40 115.31 124.43 1ri0 h LEU 86 Ca -0.03 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 1ri0 h LEU 86 Cb 0.51 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1ri0 h LEU 86 CO 0.06 0.00 -0.77 -0.25 -0.13 0.00 0.00 178.44 177.35 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.31 -1.30 115.95 117.50 1ri0 h TRP 87 Ca -0.00 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 1ri0 h TRP 87 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1ri0 h TRP 87 CO 0.00 0.17 -0.29 0.93 -1.03 0.00 0.00 178.44 178.22 1ri0 h GLU 88 N 0.00 0.00 0.01 2.65 5.08 0.47 1.35 114.58 124.14 1ri0 h GLU 88 Ca -0.03 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.93 1ri0 h GLU 88 Cb 1.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 1ri0 h GLU 88 CO 0.02 0.29 -2.41 1.51 -1.00 0.00 0.00 179.01 177.42 1ri0 n ILE 89 N -3.41 1.53 0.10 3.13 0.00 -0.63 -3.38 119.36 116.70 1ri0 n ILE 89 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 62.75 62.19 1ri0 n ILE 89 Cb 0.48 -1.57 0.01 0.00 0.00 0.00 0.00 39.64 38.56 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 -0.25 0.00 -2.15 9.51 5.08 -1.27 -3.36 114.58 122.14 1ri0 h GLU 90 Ca -0.59 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.20 1ri0 h GLU 90 Cb 1.83 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.68 1ri0 h GLU 90 CO -0.15 0.81 -0.92 0.09 -1.00 0.00 0.00 179.01 177.84 1ri0 n ASN 91 N -3.51 1.28 -4.73 1.42 3.02 0.46 -5.02 115.26 108.18 1ri0 n ASN 91 Ca -0.00 -2.90 -0.35 0.00 -0.03 0.00 0.00 54.58 51.30 1ri0 n ASN 91 Cb 0.79 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.44 4.51 -0.07 6.41 2.20 -1.22 -4.28 114.94 121.05 1ri0 s ASN 92 Ca 0.36 2.39 -0.19 0.00 -0.94 0.00 0.00 52.86 54.48 1ri0 s ASN 92 Cb 0.14 -2.59 -0.15 0.00 -2.00 0.00 0.00 41.25 36.65 1ri0 s ASN 92 CO -0.09 -2.05 0.71 1.55 -2.94 0.00 0.00 177.10 174.28 1ri0 h PRO 93 N 0.11 -0.16 -0.46 3.55 0.13 -1.90 -3.42 132.00 129.84 1ri0 h PRO 93 Ca -0.49 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.38 1ri0 h PRO 93 Cb 1.30 0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.19 1ri0 h PRO 93 CO 0.52 0.28 -0.77 2.41 -0.23 0.00 0.00 178.00 180.20 1ri0 n THR 94 N -4.86 0.53 -3.50 1.56 -1.04 -1.26 -5.11 114.28 100.59 1ri0 n THR 94 Ca -0.07 -2.24 -0.37 0.00 -2.04 0.00 0.00 64.05 59.33 1ri0 n THR 94 Cb 0.25 0.89 -0.06 0.00 -1.82 0.00 0.00 70.33 69.59 1ri0 n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ri0 s VAL 95 N -1.56 5.18 -0.06 12.58 1.01 -1.26 -4.95 120.40 131.35 1ri0 s VAL 95 Ca 0.23 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.96 1ri0 s VAL 95 Cb 0.42 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1ri0 s VAL 95 CO -0.03 0.47 -0.02 2.29 0.00 0.00 0.00 175.10 177.80 1ri0 n LYS 96 N 2.75 1.44 -2.48 2.72 2.85 -1.26 -4.85 118.16 119.34 1ri0 n LYS 96 Ca -0.12 0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.76 1ri0 n LYS 96 Cb 0.52 -1.12 -0.02 0.00 -0.65 0.00 0.00 35.03 33.76 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ri0 s ALA 97 N -2.12 2.84 0.45 0.58 0.00 -1.26 -4.90 121.76 117.34 1ri0 s ALA 97 Ca -0.06 -2.53 0.03 0.00 0.00 0.00 0.00 51.96 49.40 1ri0 s ALA 97 Cb 0.02 -4.61 -0.02 0.00 0.00 0.00 0.00 23.12 18.51 1ri0 s ALA 97 CO 0.17 -3.73 0.07 -1.12 0.00 0.00 0.00 175.76 171.15 1ri0 s SER 98 N 4.99 3.37 -0.29 0.00 0.01 -1.26 -5.08 113.70 115.44 1ri0 s SER 98 Ca 0.54 -1.65 -0.16 0.00 1.31 0.00 0.00 55.95 55.99 1ri0 s SER 98 Cb 0.01 0.47 0.17 0.00 0.21 0.00 0.00 66.02 66.88 1ri0 s SER 98 CO 0.02 -0.88 1.07 -0.83 0.41 0.00 0.00 173.24 173.04 1ri0 s GLY 99 N -3.72 0.19 0.00 3.44 0.00 -1.23 -4.95 107.32 101.05 1ri0 s GLY 99 Ca 0.17 3.36 0.00 0.00 0.00 0.00 0.00 44.72 48.25 1ri0 s GLY 99 CO 0.10 2.71 0.40 -1.72 0.00 0.00 0.00 173.10 174.59