#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 0.26 -0.16 6.12 1.04 -1.26 -5.15 113.70 114.55 1ri0 s SER 2 Ca 0.00 -0.56 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 1ri0 s SER 2 Cb 0.00 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 1ri0 s SER 2 CO 0.00 -0.37 0.16 0.00 0.98 0.00 0.00 173.24 174.01 1ri0 s ARG 3 N -1.94 3.92 0.41 4.02 1.70 -1.26 -5.10 118.95 120.71 1ri0 s ARG 3 Ca -0.11 -0.13 0.07 0.00 -0.47 0.00 0.00 55.73 55.09 1ri0 s ARG 3 Cb -0.06 -3.33 -0.05 0.00 -0.57 0.00 0.00 34.95 30.93 1ri0 s ARG 3 CO -0.02 0.48 0.16 -1.54 -1.08 0.00 0.00 175.30 173.30 1ri0 s SER 4 N -0.18 4.39 0.73 -2.89 1.04 -1.26 -5.14 113.70 110.39 1ri0 s SER 4 Ca 0.12 -1.09 -0.06 0.00 0.48 0.00 0.00 55.95 55.40 1ri0 s SER 4 Cb -0.12 -0.48 0.09 0.00 0.10 0.00 0.00 66.02 65.61 1ri0 s SER 4 CO 0.01 -0.52 1.04 0.54 0.98 0.00 0.00 173.24 175.29 1ri0 s ASN 5 N -3.89 4.54 1.30 7.02 4.22 -1.26 -5.07 114.94 121.80 1ri0 s ASN 5 Ca 0.40 0.27 -0.17 0.00 -2.14 0.00 0.00 52.86 51.23 1ri0 s ASN 5 Cb 0.04 -0.81 0.26 0.00 1.28 0.00 0.00 41.25 42.01 1ri0 s ASN 5 CO 0.22 -1.76 0.65 -2.11 -2.04 0.00 0.00 177.10 172.06 1ri0 n ARG 6 N -2.99 -3.66 -0.07 3.55 0.00 -1.26 -5.01 116.66 107.23 1ri0 n ARG 6 Ca 0.10 -1.08 -0.09 0.00 -0.00 0.00 0.00 57.85 56.78 1ri0 n ARG 6 Cb 0.60 -1.29 -0.06 0.00 -0.00 0.00 0.00 32.46 31.72 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 -4.48 0.32 0.00 2.89 0.00 -1.26 -4.92 117.38 109.93 1ri0 n GLN 7 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.18 1ri0 n GLN 7 Cb 0.42 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.42 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 -2.93 0.00 -1.59 2.61 0.00 -1.26 -4.98 118.16 110.02 1ri0 n LYS 8 Ca -0.23 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 57.94 1ri0 n LYS 8 Cb 0.74 -0.49 -0.11 0.00 -0.00 0.00 0.00 35.03 35.17 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 -1.02 1.13 0.25 -1.58 -1.05 -1.26 -4.88 118.70 110.29 1ri0 s GLU 9 Ca 0.00 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.17 1ri0 s GLU 9 Cb 0.00 -4.96 -0.09 0.00 -0.44 0.00 0.00 34.13 28.64 1ri0 s GLU 9 CO 0.00 -5.53 1.04 1.52 0.95 0.00 0.00 175.26 173.24 1ri0 s TYR 10 N 17.22 3.73 0.36 4.83 1.13 -1.26 -4.77 117.35 138.58 1ri0 s TYR 10 Ca 0.83 1.77 -0.04 0.00 -1.41 0.00 0.00 57.07 58.21 1ri0 s TYR 10 Cb -0.06 -3.17 0.01 0.00 -1.10 0.00 0.00 41.96 37.64 1ri0 s TYR 10 CO 0.18 -0.19 0.54 -1.59 -2.51 0.00 0.00 175.55 171.98 1ri0 s LYS 11 N -1.18 2.00 0.02 -3.49 0.00 -1.26 -5.05 119.74 110.77 1ri0 s LYS 11 Ca 0.44 -1.73 -0.39 0.00 0.00 0.00 0.00 55.97 54.29 1ri0 s LYS 11 Cb -0.29 0.48 -0.19 0.00 0.00 0.00 0.00 37.83 37.82 1ri0 s LYS 11 CO 0.37 -0.85 1.12 0.00 0.00 0.00 0.00 175.35 175.99 1ri0 n GLY 13 N 1.70 1.66 3.84 0.00 0.00 -1.24 -5.03 105.19 106.12 1ri0 n GLY 13 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.76 6.85 -0.02 1.61 2.15 -0.02 -4.94 116.67 120.54 1ri0 s ASP 14 Ca 0.00 1.11 0.07 0.00 0.43 0.00 0.00 52.55 54.16 1ri0 s ASP 14 Cb 0.00 -2.30 -0.02 0.00 -0.30 0.00 0.00 42.92 40.30 1ri0 s ASP 14 CO 0.00 0.10 -0.22 -0.22 -0.17 0.00 0.00 175.17 174.65 1ri0 s LEU 15 N -1.96 2.27 0.37 -1.34 1.98 -1.26 -0.51 118.68 118.23 1ri0 s LEU 15 Ca 0.38 -0.39 -0.10 0.00 -2.89 0.00 0.00 54.13 51.13 1ri0 s LEU 15 Cb -0.15 -1.41 0.03 0.00 0.66 0.00 0.00 46.19 45.33 1ri0 s LEU 15 CO 0.19 0.32 0.67 0.54 -1.89 0.00 0.00 176.35 176.18 1ri0 s VAL 16 N -0.66 0.00 -0.34 1.68 0.11 -0.91 -4.96 120.40 115.31 1ri0 s VAL 16 Ca 0.11 -1.24 -0.20 0.00 -2.93 0.00 0.00 61.98 57.72 1ri0 s VAL 16 Cb -0.10 -2.79 -0.00 0.00 -1.53 0.00 0.00 36.38 31.96 1ri0 s VAL 16 CO -0.00 0.00 0.59 -0.36 -3.33 0.00 0.00 175.10 172.00 1ri0 s PHE 17 N -2.59 3.17 -0.18 1.54 0.08 -0.91 -1.80 117.98 117.29 1ri0 s PHE 17 Ca 0.21 0.34 -0.05 0.00 0.12 0.00 0.00 56.93 57.55 1ri0 s PHE 17 Cb -0.03 -3.04 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 1ri0 s PHE 17 CO 0.15 -0.57 0.01 0.00 -0.10 0.00 0.00 175.22 174.71 1ri0 s ALA 18 N 2.59 3.14 0.02 5.36 0.00 0.15 -1.61 121.76 131.41 1ri0 s ALA 18 Ca 0.23 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.42 1ri0 s ALA 18 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1ri0 s ALA 18 CO 0.14 0.10 -0.22 -1.59 0.00 0.00 0.00 175.76 174.19 1ri0 s LYS 19 N 0.54 2.02 0.19 0.00 0.00 -0.75 -0.05 119.74 121.70 1ri0 s LYS 19 Ca -0.00 -0.99 0.06 0.00 0.00 0.00 0.00 55.97 55.04 1ri0 s LYS 19 Cb -0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 37.83 35.54 1ri0 s LYS 19 CO 0.02 0.54 -0.12 1.41 0.00 0.00 0.00 175.35 177.20 1ri0 s MET 20 N -1.16 1.23 -0.06 1.78 1.75 -0.89 -4.82 119.30 117.14 1ri0 s MET 20 Ca 0.12 -1.54 -0.33 0.00 -1.25 0.00 0.00 55.69 52.70 1ri0 s MET 20 Cb -0.10 -0.93 -0.11 0.00 2.84 0.00 0.00 34.83 36.53 1ri0 s MET 20 CO 0.03 0.14 1.94 1.63 -0.65 0.00 0.00 175.02 178.10 1ri0 n LYS 21 N -0.32 2.39 0.00 4.11 4.76 -1.26 0.45 118.16 128.30 1ri0 n LYS 21 Ca -0.09 0.87 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1ri0 n LYS 21 Cb 0.61 -2.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.00 1ri0 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ri0 n GLY 22 N 4.57 3.28 3.43 0.72 0.00 -1.26 -5.01 105.19 110.92 1ri0 n GLY 22 Ca 0.22 0.00 -0.33 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 -2.13 2.85 0.63 1.61 5.04 0.17 -5.11 117.35 120.41 1ri0 s TYR 23 Ca 0.00 -0.46 -0.14 0.00 -2.44 0.00 0.00 57.07 54.04 1ri0 s TYR 23 Cb 0.00 -1.83 -0.02 0.00 0.35 0.00 0.00 41.96 40.46 1ri0 s TYR 23 CO 0.00 -0.08 1.05 -1.25 -1.34 0.00 0.00 175.55 173.93 1ri0 s PRO 24 N 0.11 3.20 -0.45 4.97 0.04 -1.26 -2.09 135.00 139.52 1ri0 s PRO 24 Ca -0.05 1.08 -0.42 0.00 0.04 0.00 0.00 61.00 61.65 1ri0 s PRO 24 Cb -0.14 -2.02 -0.17 0.00 0.04 0.00 0.00 34.50 32.20 1ri0 s PRO 24 CO 0.04 -0.89 2.08 0.72 0.04 0.00 0.00 177.00 178.98 1ri0 n HIS 25 N -2.47 1.37 -4.34 0.56 8.25 -1.26 -4.60 115.22 112.72 1ri0 n HIS 25 Ca 0.08 0.68 -0.25 0.00 -0.26 0.00 0.00 57.72 57.98 1ri0 n HIS 25 Cb 0.53 -2.35 -0.09 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 5.87 2.56 -0.60 4.41 -0.00 0.93 -4.65 118.94 127.46 1ri0 s TRP 26 Ca 1.15 -0.25 -0.27 0.00 -0.00 0.00 0.00 56.10 56.72 1ri0 s TRP 26 Cb -1.33 -1.17 0.01 0.00 -0.00 0.00 0.00 33.47 30.97 1ri0 s TRP 26 CO 0.64 0.60 1.52 -1.25 -0.00 0.00 0.00 176.95 178.46 1ri0 s PRO 27 N -3.33 3.12 0.08 5.86 0.04 -1.26 0.33 135.00 139.84 1ri0 s PRO 27 Ca 0.28 0.41 0.09 0.00 0.04 0.00 0.00 61.00 61.83 1ri0 s PRO 27 Cb -0.07 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 1ri0 s PRO 27 CO 0.17 -2.17 -0.23 0.00 0.04 0.00 0.00 177.00 174.81 1ri0 s ALA 28 N 6.78 2.00 0.35 8.56 0.00 -0.74 -1.99 121.76 136.73 1ri0 s ALA 28 Ca 0.54 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1ri0 s ALA 28 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1ri0 s ALA 28 CO 0.22 0.44 0.56 0.50 0.00 0.00 0.00 175.76 177.49 1ri0 s ARG 29 N -1.60 3.46 0.14 0.00 3.52 0.15 -2.14 118.95 122.48 1ri0 s ARG 29 Ca 0.09 -0.34 -0.15 0.00 -0.13 0.00 0.00 55.73 55.20 1ri0 s ARG 29 Cb -0.10 -2.65 -0.07 0.00 -1.56 0.00 0.00 34.95 30.57 1ri0 s ARG 29 CO 0.04 0.12 0.56 -1.50 -0.81 0.00 0.00 175.30 173.71 1ri0 s ILE 30 N -2.33 4.82 -0.04 4.11 -1.16 0.33 -1.01 121.20 125.92 1ri0 s ILE 30 Ca 0.40 0.92 -0.24 0.00 -0.51 0.00 0.00 60.65 61.22 1ri0 s ILE 30 Cb -0.10 -3.77 0.05 0.00 0.61 0.00 0.00 42.46 39.26 1ri0 s ILE 30 CO 0.36 0.29 0.53 -1.81 -2.81 0.00 0.00 174.94 171.51 1ri0 s ASP 31 N -1.61 -0.48 0.14 4.50 1.11 0.17 -3.65 116.67 116.86 1ri0 s ASP 31 Ca 0.37 0.50 0.05 0.00 0.18 0.00 0.00 52.55 53.64 1ri0 s ASP 31 Cb -0.16 0.48 -0.04 0.00 1.07 0.00 0.00 42.92 44.28 1ri0 s ASP 31 CO 0.19 -0.53 0.11 -1.61 1.18 0.00 0.00 175.17 174.52 1ri0 s GLU 32 N -1.17 2.86 -0.23 8.23 2.02 -1.26 -0.75 118.70 128.40 1ri0 s GLU 32 Ca -0.11 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.74 1ri0 s GLU 32 Cb -0.02 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 1ri0 s GLU 32 CO 0.07 0.50 1.37 0.00 0.02 0.00 0.00 175.26 177.23 1ri0 s MET 33 N -2.92 3.99 0.67 1.61 0.23 -1.26 -4.81 119.30 116.82 1ri0 s MET 33 Ca 0.30 1.50 -0.12 0.00 -1.03 0.00 0.00 55.69 56.34 1ri0 s MET 33 Cb -0.11 -3.88 -0.01 0.00 -1.53 0.00 0.00 34.83 29.30 1ri0 s MET 33 CO 0.23 -1.02 1.06 -1.25 -2.03 0.00 0.00 175.02 172.00 1ri0 s PRO 34 N 4.08 3.07 -0.29 3.16 0.04 -1.26 -4.99 135.00 138.80 1ri0 s PRO 34 Ca 0.60 1.01 0.18 0.00 0.04 0.00 0.00 61.00 62.82 1ri0 s PRO 34 Cb -0.21 -2.01 0.48 0.00 0.04 0.00 0.00 34.50 32.81 1ri0 s PRO 34 CO 0.22 -1.00 1.10 -0.85 0.04 0.00 0.00 177.00 176.51 1ri0 n GLU 35 N -2.84 2.15 0.00 4.56 0.28 -1.26 -4.54 120.64 119.00 1ri0 n GLU 35 Ca 0.08 -3.68 0.00 0.00 -0.16 0.00 0.00 57.16 53.40 1ri0 n GLU 35 Cb 0.53 -1.73 0.00 0.00 1.43 0.00 0.00 31.44 31.67 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 -0.53 0.07 -0.37 -1.84 0.00 -1.26 -4.60 120.51 111.98 1ri0 n ALA 36 Ca 0.17 -0.23 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1ri0 n ALA 36 Cb 0.83 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.50 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 -1.96 1.49 -2.84 0.00 0.00 -2.04 -3.44 119.26 110.47 1ri0 h ALA 37 Ca 0.00 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 1ri0 h ALA 37 Cb 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 17.79 17.43 1ri0 h ALA 37 CO 0.00 0.29 -0.40 0.14 0.00 0.00 0.00 179.25 179.28 1ri0 s VAL 38 N -5.98 0.00 -0.13 0.00 -7.23 -1.26 -5.15 120.40 100.64 1ri0 s VAL 38 Ca -0.12 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1ri0 s VAL 38 Cb 0.22 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1ri0 s VAL 38 CO 0.81 0.00 -0.00 -0.54 -0.31 0.00 0.00 175.10 175.06 1ri0 s LYS 39 N -3.52 3.47 0.29 4.82 1.02 -1.26 -4.05 119.74 120.52 1ri0 s LYS 39 Ca 0.36 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.94 1ri0 s LYS 39 Cb 0.02 -2.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1ri0 s LYS 39 CO 0.21 0.43 0.09 -1.12 -0.92 0.00 0.00 175.35 174.04 1ri0 s SER 40 N -0.12 1.68 0.43 2.83 0.01 -1.26 -5.07 113.70 112.20 1ri0 s SER 40 Ca 0.04 -1.42 0.07 0.00 1.31 0.00 0.00 55.95 55.95 1ri0 s SER 40 Cb -0.13 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 1ri0 s SER 40 CO 0.02 -0.72 0.27 0.42 0.41 0.00 0.00 173.24 173.63 1ri0 s THR 41 N -3.57 2.31 -0.24 1.44 -4.23 -1.26 -5.01 115.64 105.07 1ri0 s THR 41 Ca 0.36 -1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 59.23 1ri0 s THR 41 Cb 0.07 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1ri0 s THR 41 CO 0.15 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.33 1ri0 s ALA 42 N -2.59 3.31 0.00 3.99 0.00 -1.26 -4.76 121.76 120.45 1ri0 s ALA 42 Ca 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1ri0 s ALA 42 Cb 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1ri0 s ALA 42 CO 0.24 -0.38 0.00 0.09 0.00 0.00 0.00 175.76 175.71 1ri0 n ASN 43 N 4.70 0.00 -4.41 0.00 3.02 -1.26 -5.15 115.26 112.16 1ri0 n ASN 43 Ca -0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.10 1ri0 n ASN 43 Cb 0.52 0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.76 1ri0 n ASN 43 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ri0 s LYS 44 N -1.36 2.05 0.17 3.52 0.00 -1.26 -5.10 119.74 117.75 1ri0 s LYS 44 Ca 0.00 -2.27 0.11 0.00 0.00 0.00 0.00 55.97 53.81 1ri0 s LYS 44 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 37.83 36.76 1ri0 s LYS 44 CO 0.00 -0.42 -0.24 0.71 0.00 0.00 0.00 175.35 175.40 1ri0 s TYR 45 N -3.05 2.33 0.06 1.78 1.51 -0.74 -4.84 117.35 114.39 1ri0 s TYR 45 Ca 0.16 -0.36 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 1ri0 s TYR 45 Cb 0.02 -1.20 -0.06 0.00 -0.11 0.00 0.00 41.96 40.61 1ri0 s TYR 45 CO 0.10 0.43 0.55 -1.14 -1.11 0.00 0.00 175.55 174.38 1ri0 s GLN 46 N -2.42 4.18 -0.02 -0.62 0.74 0.08 -1.86 119.66 119.73 1ri0 s GLN 46 Ca 0.18 0.70 0.03 0.00 0.05 0.00 0.00 55.36 56.32 1ri0 s GLN 46 Cb -0.09 -3.25 -0.00 0.00 1.10 0.00 0.00 33.01 30.77 1ri0 s GLN 46 CO 0.09 0.62 -0.10 0.08 -0.55 0.00 0.00 175.29 175.43 1ri0 s VAL 47 N -1.02 0.84 -0.31 1.34 1.01 -0.75 -0.65 120.40 120.85 1ri0 s VAL 47 Ca 0.28 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1ri0 s VAL 47 Cb -0.19 -0.73 0.05 0.00 0.00 0.00 0.00 36.38 35.51 1ri0 s VAL 47 CO 0.18 0.25 0.03 0.12 0.00 0.00 0.00 175.10 175.68 1ri0 s PHE 48 N -0.00 3.28 -0.28 5.22 2.19 -0.18 -0.83 117.98 127.38 1ri0 s PHE 48 Ca -0.00 -1.81 -0.29 0.00 0.33 0.00 0.00 56.93 55.16 1ri0 s PHE 48 Cb -0.07 -2.18 0.01 0.00 -1.31 0.00 0.00 43.02 39.47 1ri0 s PHE 48 CO 0.00 -0.80 1.12 -0.06 1.83 0.00 0.00 175.22 177.31 1ri0 s PHE 49 N 1.28 3.10 -0.03 10.12 0.40 0.96 0.31 117.98 134.11 1ri0 s PHE 49 Ca -0.04 1.20 -0.18 0.00 -0.60 0.00 0.00 56.93 57.31 1ri0 s PHE 49 Cb -0.20 -3.60 -0.11 0.00 0.51 0.00 0.00 43.02 39.62 1ri0 s PHE 49 CO -0.00 -0.93 0.74 0.74 0.70 0.00 0.00 175.22 176.46 1ri0 h PHE 50 N 8.11 -0.46 -0.98 0.36 0.04 -1.69 1.52 116.94 123.84 1ri0 h PHE 50 Ca -0.22 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.67 1ri0 h PHE 50 Cb 1.07 0.15 -0.14 0.00 2.20 0.00 0.00 35.95 39.23 1ri0 h PHE 50 CO 0.82 -0.21 -0.46 0.41 -0.60 0.00 0.00 178.31 178.27 1ri0 n GLY 51 N 0.34 -2.23 0.07 -1.45 0.00 -1.25 -0.22 105.19 100.45 1ri0 n GLY 51 Ca -0.07 1.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.98 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 1.52 -1.96 2.61 1.35 -1.88 -3.45 112.91 111.10 1ri0 h THR 52 Ca 0.27 -3.23 -0.10 0.00 -0.55 0.00 0.00 66.41 62.80 1ri0 h THR 52 Cb 0.51 2.80 0.03 0.00 -1.73 0.00 0.00 68.15 69.76 1ri0 h THR 52 CO -0.95 0.89 -0.17 1.57 -0.25 0.00 0.00 175.52 176.61 1ri0 n HIS 53 N -3.34 -0.65 -4.26 4.73 -0.00 0.51 -5.05 115.22 107.15 1ri0 n HIS 53 Ca -0.05 0.21 -0.19 0.00 0.46 0.00 0.00 57.72 58.15 1ri0 n HIS 53 Cb 0.98 -2.00 -0.13 0.00 -0.12 0.00 0.00 29.99 28.72 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 -5.13 0.85 -0.33 1.57 2.02 -0.23 -4.93 118.70 112.52 1ri0 s GLU 54 Ca 0.12 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 1ri0 s GLU 54 Cb -0.05 -0.85 -0.01 0.00 0.10 0.00 0.00 34.13 33.31 1ri0 s GLU 54 CO 0.15 0.20 0.40 0.99 0.02 0.00 0.00 175.26 177.02 1ri0 s THR 55 N -1.05 5.13 0.21 3.63 2.01 -1.26 -0.03 115.64 124.29 1ri0 s THR 55 Ca -0.01 0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.30 1ri0 s THR 55 Cb -0.09 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1ri0 s THR 55 CO 0.02 -0.09 -0.21 0.00 -0.69 0.00 0.00 174.62 173.64 1ri0 s ALA 56 N 2.12 2.48 -0.10 7.40 0.00 -0.01 -4.98 121.76 128.68 1ri0 s ALA 56 Ca 0.14 -1.68 -0.26 0.00 0.00 0.00 0.00 51.96 50.15 1ri0 s ALA 56 Cb -0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1ri0 s ALA 56 CO 0.12 0.34 0.85 -0.59 0.00 0.00 0.00 175.76 176.47 1ri0 s PHE 57 N -2.03 3.52 0.34 0.00 -0.12 -1.26 -1.82 117.98 116.61 1ri0 s PHE 57 Ca 0.23 1.38 -0.06 0.00 -0.05 0.00 0.00 56.93 58.43 1ri0 s PHE 57 Cb -0.06 -3.00 0.01 0.00 -0.63 0.00 0.00 43.02 39.34 1ri0 s PHE 57 CO 0.11 -0.10 0.52 -0.51 -0.05 0.00 0.00 175.22 175.18 1ri0 s LEU 58 N 1.54 0.78 0.00 -1.99 1.43 -0.78 -4.95 118.68 114.72 1ri0 s LEU 58 Ca 0.42 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1ri0 s LEU 58 Cb -0.18 1.71 0.00 0.00 0.03 0.00 0.00 46.19 47.75 1ri0 s LEU 58 CO 0.18 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 176.03 1ri0 n GLY 59 N -0.54 6.24 0.13 -3.19 0.00 -1.26 -1.79 105.19 104.78 1ri0 n GLY 59 Ca -0.01 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.17 1.61 0.13 -1.97 -2.72 132.00 128.88 1ri0 h PRO 60 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1ri0 h PRO 60 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ri0 h PRO 60 CO 0.00 0.66 -0.12 1.57 -0.23 0.00 0.00 178.00 179.88 1ri0 h LYS 61 N 0.00 0.38 0.00 0.86 2.10 -2.02 -2.29 116.57 115.61 1ri0 h LYS 61 Ca -0.01 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1ri0 h LYS 61 Cb 1.25 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1ri0 h LYS 61 CO 0.09 0.72 0.00 -0.25 -2.00 0.00 0.00 179.45 178.01 1ri0 n ASP 62 N -4.56 0.00 -4.53 7.07 8.00 -1.21 -4.63 116.55 116.69 1ri0 n ASP 62 Ca -0.06 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.29 1ri0 n ASP 62 Cb 0.34 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 1ri0 n ASP 62 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ri0 s LEU 63 N -2.69 2.94 -0.00 0.64 1.43 -0.86 -1.80 118.68 118.33 1ri0 s LEU 63 Ca 0.14 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ri0 s LEU 63 Cb 0.11 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1ri0 s LEU 63 CO 0.27 0.33 0.01 0.12 0.23 0.00 0.00 176.35 177.31 1ri0 s PHE 64 N -0.82 -0.00 0.92 0.29 5.36 -0.64 -4.81 117.98 118.28 1ri0 s PHE 64 Ca 0.13 0.01 -0.13 0.00 -0.96 0.00 0.00 56.93 55.98 1ri0 s PHE 64 Cb -0.11 -0.00 0.14 0.00 -0.34 0.00 0.00 43.02 42.71 1ri0 s PHE 64 CO 0.03 -0.01 1.14 -1.25 -1.46 0.00 0.00 175.22 173.67 1ri0 s PRO 65 N -0.04 1.06 0.06 10.12 0.04 -1.26 -2.13 135.00 142.84 1ri0 s PRO 65 Ca -0.01 0.25 -0.10 0.00 0.04 0.00 0.00 61.00 61.18 1ri0 s PRO 65 Cb -0.00 -1.83 -0.29 0.00 0.04 0.00 0.00 34.50 32.42 1ri0 s PRO 65 CO -0.00 -2.25 1.11 -0.92 0.04 0.00 0.00 177.00 174.98 1ri0 h TYR 66 N -1.53 0.79 -0.30 0.56 3.20 -1.98 -2.50 116.97 115.21 1ri0 h TYR 66 Ca -0.50 -0.54 0.06 0.00 3.14 0.00 0.00 58.73 60.89 1ri0 h TYR 66 Cb 1.33 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.49 1ri0 h TYR 66 CO 0.16 1.40 -0.11 0.93 -1.64 0.00 0.00 178.16 178.90 1ri0 h GLU 67 N 0.16 -0.05 -0.09 1.82 5.08 -1.96 1.50 114.58 121.03 1ri0 h GLU 67 Ca -0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1ri0 h GLU 67 Cb 1.98 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.24 1ri0 h GLU 67 CO 0.23 -0.04 -0.04 1.49 -1.00 0.00 0.00 179.01 179.65 1ri0 h GLU 68 N -0.06 0.19 0.05 2.33 4.81 -1.97 0.14 114.58 120.07 1ri0 h GLU 68 Ca 0.15 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1ri0 h GLU 68 Cb 0.29 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1ri0 h GLU 68 CO -0.34 0.55 -0.16 0.66 -0.73 0.00 0.00 179.01 178.98 1ri0 h SER 69 N -0.17 -0.47 0.52 1.04 4.64 -0.97 0.13 113.55 118.28 1ri0 h SER 69 Ca 0.02 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1ri0 h SER 69 Cb 0.49 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1ri0 h SER 69 CO 0.01 -0.23 0.00 0.07 -0.87 0.00 0.00 176.83 175.81 1ri0 h LYS 70 N -0.30 0.00 0.55 4.77 5.09 0.21 0.29 116.57 127.18 1ri0 h LYS 70 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.75 1ri0 h LYS 70 Cb 0.34 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.67 1ri0 h LYS 70 CO -0.12 0.00 -0.27 1.49 -2.09 0.00 0.00 179.45 178.46 1ri0 h GLU 71 N 0.00 -0.72 0.00 0.07 4.22 0.14 -3.41 114.58 114.88 1ri0 h GLU 71 Ca 0.00 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1ri0 h GLU 71 Cb 0.26 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ri0 h GLU 71 CO 0.00 -0.42 -0.33 1.17 -2.18 0.00 0.00 179.01 177.26 1ri0 n LYS 72 N -5.34 0.18 0.00 1.92 3.00 -1.01 -5.05 118.16 111.86 1ri0 n LYS 72 Ca -0.12 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ri0 n LYS 72 Cb 0.33 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.49 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 -3.18 0.00 -0.97 5.64 1.16 0.53 -5.00 117.46 115.64 1ri0 n PHE 73 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.53 1ri0 n PHE 73 Cb 0.17 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 1ri0 n PHE 73 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ri0 n GLY 74 N 2.12 0.31 3.09 4.97 0.00 0.71 -3.90 105.19 112.49 1ri0 n GLY 74 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.86 2.29 1.01 1.61 1.02 -1.26 -4.83 119.74 118.72 1ri0 s LYS 75 Ca 0.00 -2.26 -0.15 0.00 0.02 0.00 0.00 55.97 53.57 1ri0 s LYS 75 Cb 0.00 -3.63 0.20 0.00 -0.52 0.00 0.00 37.83 33.88 1ri0 s LYS 75 CO 0.00 -1.13 1.19 -1.25 -0.92 0.00 0.00 175.35 173.24 1ri0 s PRO 76 N 0.38 0.29 0.28 -1.68 0.04 -1.26 -4.95 135.00 128.10 1ri0 s PRO 76 Ca 0.14 -0.04 -0.28 0.00 0.04 0.00 0.00 61.00 60.86 1ri0 s PRO 76 Cb -0.22 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 1ri0 s PRO 76 CO -0.04 -2.71 1.03 0.09 0.04 0.00 0.00 177.00 175.41 1ri0 n ASN 77 N -4.06 1.34 -4.42 6.66 3.02 -1.26 -4.87 115.26 111.67 1ri0 n ASN 77 Ca 0.11 1.18 -0.45 0.00 -0.03 0.00 0.00 54.58 55.39 1ri0 n ASN 77 Cb 0.59 -1.29 -0.02 0.00 -0.61 0.00 0.00 39.78 38.45 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 -1.49 3.71 0.37 3.52 2.47 -1.26 -4.85 119.74 122.22 1ri0 s LYS 78 Ca 0.59 -2.12 0.06 0.00 -1.56 0.00 0.00 55.97 52.94 1ri0 s LYS 78 Cb -0.70 -4.82 0.06 0.00 -1.46 0.00 0.00 37.83 30.91 1ri0 s LYS 78 CO 0.60 -1.64 0.52 0.54 0.16 0.00 0.00 175.35 175.52 1ri0 n ARG 79 N 5.64 0.73 -0.11 4.03 5.12 -1.26 -4.96 116.66 125.85 1ri0 n ARG 79 Ca 0.24 -2.00 -0.12 0.00 -1.93 0.00 0.00 57.85 54.04 1ri0 n ARG 79 Cb 0.47 -0.16 -0.03 0.00 -1.16 0.00 0.00 32.46 31.58 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 0.69 0.00 5.56 3.64 -2.01 -2.38 116.57 122.08 1ri0 h LYS 80 Ca -0.17 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1ri0 h LYS 80 Cb 0.80 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1ri0 h LYS 80 CO 0.25 0.89 0.00 0.41 -2.27 0.00 0.00 179.45 178.73 1ri0 n GLY 81 N -0.07 -1.28 0.13 5.01 0.00 -1.26 -2.24 105.19 105.48 1ri0 n GLY 81 Ca -0.03 -0.07 -0.22 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 0.70 0.15 1.61 3.04 -1.77 -1.77 116.94 118.90 1ri0 h PHE 82 Ca 0.00 -0.51 -0.01 0.00 3.98 0.00 0.00 57.97 61.43 1ri0 h PHE 82 Cb 0.39 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1ri0 h PHE 82 CO 0.00 1.44 -0.07 0.66 -2.02 0.00 0.00 178.31 178.32 1ri0 h SER 83 N -0.16 -0.17 -0.04 0.41 4.64 -1.40 -0.74 113.55 116.08 1ri0 h SER 83 Ca -0.21 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1ri0 h SER 83 Cb 1.86 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.99 1ri0 h SER 83 CO 0.19 0.41 0.00 1.05 -0.87 0.00 0.00 176.83 177.61 1ri0 h GLU 84 N -0.96 0.13 0.26 4.77 4.11 -1.63 -2.26 114.58 119.01 1ri0 h GLU 84 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1ri0 h GLU 84 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ri0 h GLU 84 CO 0.03 0.15 -0.13 0.78 0.07 0.00 0.00 179.01 179.92 1ri0 h GLY 85 N 0.30 -0.37 -0.46 1.06 0.00 -1.37 0.66 103.07 102.88 1ri0 h GLY 85 Ca 0.03 0.14 0.27 0.00 0.00 0.00 0.00 47.33 47.77 1ri0 h GLY 85 CO 0.00 -0.13 0.97 -2.00 0.00 0.00 0.00 176.54 175.37 1ri0 h LEU 86 N -0.75 0.00 0.10 3.11 7.12 -1.06 1.61 115.31 125.45 1ri0 h LEU 86 Ca -0.04 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.66 1ri0 h LEU 86 Cb 0.27 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1ri0 h LEU 86 CO 0.06 0.00 -1.67 -0.25 -0.13 0.00 0.00 178.44 176.45 1ri0 h TRP 87 N 0.00 0.40 -0.07 1.25 2.91 -1.36 -2.50 115.95 116.57 1ri0 h TRP 87 Ca 0.45 -0.29 0.02 0.00 1.13 0.00 0.00 58.89 60.20 1ri0 h TRP 87 Cb 2.38 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 31.01 1ri0 h TRP 87 CO 0.00 1.66 0.46 1.49 -1.03 0.00 0.00 178.44 181.01 1ri0 h GLU 88 N -0.24 0.00 0.00 2.65 4.22 0.84 0.61 114.58 122.65 1ri0 h GLU 88 Ca -0.37 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 58.70 1ri0 h GLU 88 Cb 1.82 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.00 1ri0 h GLU 88 CO 0.03 0.00 -2.41 1.51 -2.18 0.00 0.00 179.01 175.96 1ri0 n ILE 89 N -2.95 1.41 0.52 2.32 0.00 -0.24 -4.17 119.36 116.26 1ri0 n ILE 89 Ca -0.00 -0.64 0.07 0.00 0.00 0.00 0.00 62.75 62.18 1ri0 n ILE 89 Cb 0.52 -1.11 0.32 0.00 0.00 0.00 0.00 39.64 39.37 1ri0 n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ri0 n GLU 90 N -3.08 0.01 -2.47 9.51 1.02 0.11 -2.55 120.64 123.19 1ri0 n GLU 90 Ca -0.41 0.24 -0.21 0.00 -0.02 0.00 0.00 57.16 56.77 1ri0 n GLU 90 Cb 1.03 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.96 1ri0 n GLU 90 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ri0 n ASN 91 N -1.49 3.81 -4.64 1.62 5.03 0.17 -5.04 115.26 114.73 1ri0 n ASN 91 Ca 0.04 -3.39 -0.34 0.00 0.87 0.00 0.00 54.58 51.76 1ri0 n ASN 91 Cb 0.17 -0.46 0.11 0.00 -1.02 0.00 0.00 39.78 38.59 1ri0 n ASN 91 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1ri0 n ASN 92 N -0.43 0.58 0.02 6.41 0.23 -1.06 -4.93 115.26 116.09 1ri0 n ASN 92 Ca 0.31 0.59 -0.18 0.00 -0.53 0.00 0.00 54.58 54.77 1ri0 n ASN 92 Cb 0.75 -1.45 -0.08 0.00 -2.08 0.00 0.00 39.78 36.93 1ri0 n ASN 92 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1ri0 h PRO 93 N -0.74 0.69 -3.39 -0.53 0.13 -1.92 -3.38 132.00 122.86 1ri0 h PRO 93 Ca -0.46 -0.67 -0.66 0.00 -0.87 0.00 0.00 66.00 63.34 1ri0 h PRO 93 Cb 1.31 0.17 -0.39 0.00 0.13 0.00 0.00 31.00 32.22 1ri0 h PRO 93 CO 0.45 1.27 -0.50 -0.08 -0.23 0.00 0.00 178.00 178.91 1ri0 s THR 94 N -3.47 3.12 0.06 1.56 -1.32 -1.26 -5.08 115.64 109.26 1ri0 s THR 94 Ca -0.09 -3.40 -0.22 0.00 -1.21 0.00 0.00 61.69 56.77 1ri0 s THR 94 Cb 0.08 -3.08 -0.06 0.00 -1.51 0.00 0.00 72.50 67.93 1ri0 s THR 94 CO 0.91 -0.88 0.65 0.54 -2.21 0.00 0.00 174.62 173.63 1ri0 s VAL 95 N -0.49 4.71 -0.08 5.08 0.11 -1.26 -4.95 120.40 123.53 1ri0 s VAL 95 Ca 0.19 1.38 0.06 0.00 -2.93 0.00 0.00 61.98 60.69 1ri0 s VAL 95 Cb -0.20 -3.99 -0.09 0.00 -1.53 0.00 0.00 36.38 30.57 1ri0 s VAL 95 CO -0.04 0.48 0.02 2.29 -3.33 0.00 0.00 175.10 174.51 1ri0 n LYS 96 N 2.15 2.46 -2.73 1.54 2.85 -1.26 -4.83 118.16 118.35 1ri0 n LYS 96 Ca -0.07 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.76 1ri0 n LYS 96 Cb 0.50 -1.20 -0.02 0.00 -0.65 0.00 0.00 35.03 33.66 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 -2.19 3.25 0.64 0.58 0.00 -1.26 -4.99 121.76 117.79 1ri0 s ALA 97 Ca -0.05 -2.74 -0.17 0.00 0.00 0.00 0.00 51.96 49.00 1ri0 s ALA 97 Cb 0.02 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 1ri0 s ALA 97 CO 0.32 -3.23 0.85 -1.13 0.00 0.00 0.00 175.76 172.56 1ri0 n SER 98 N 7.60 0.21 0.00 0.00 3.41 -1.26 -4.69 113.62 118.88 1ri0 n SER 98 Ca 0.35 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1ri0 n SER 98 Cb 0.48 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ri0 n GLY 99 N 1.37 -0.92 0.00 5.00 0.00 -1.26 -5.26 105.19 104.12 1ri0 n GLY 99 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30