#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 6.73 0.74 7.83 0.15 -1.26 -5.06 113.70 122.82 1ri0 s SER 2 Ca 0.00 1.46 -0.10 0.00 0.70 0.00 0.00 55.95 58.01 1ri0 s SER 2 Cb 0.00 -2.45 0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1ri0 s SER 2 CO 0.00 -0.41 1.10 0.00 1.20 0.00 0.00 173.24 175.14 1ri0 s ARG 3 N -3.55 2.36 -0.37 5.44 1.70 -1.26 -5.04 118.95 118.24 1ri0 s ARG 3 Ca 0.57 0.15 -0.13 0.00 -0.47 0.00 0.00 55.73 55.85 1ri0 s ARG 3 Cb -0.10 -2.04 0.01 0.00 -0.57 0.00 0.00 34.95 32.25 1ri0 s ARG 3 CO 0.23 -1.29 0.24 0.45 -1.08 0.00 0.00 175.30 173.85 1ri0 s SER 4 N -4.48 5.92 0.10 -2.89 0.15 -1.26 -5.06 113.70 106.18 1ri0 s SER 4 Ca 0.60 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1ri0 s SER 4 Cb -0.11 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1ri0 s SER 4 CO 0.49 -0.33 0.02 -0.46 1.20 0.00 0.00 173.24 174.15 1ri0 n ASN 5 N 5.08 2.04 -3.88 5.45 6.94 -1.26 -5.16 115.26 124.47 1ri0 n ASN 5 Ca -0.12 -1.41 -0.18 0.00 -0.02 0.00 0.00 54.58 52.85 1ri0 n ASN 5 Cb 0.48 0.05 0.10 0.00 -2.36 0.00 0.00 39.78 38.05 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 -0.36 -0.07 0.00 -3.83 1.85 -1.26 -5.09 116.66 107.89 1ri0 n ARG 6 Ca -0.03 -2.01 0.00 0.00 -1.00 0.00 0.00 57.85 54.80 1ri0 n ARG 6 Cb 0.12 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.96 1ri0 n ARG 6 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1ri0 n GLN 7 N -2.50 0.00 0.00 2.89 3.00 -1.26 -4.88 117.38 114.63 1ri0 n GLN 7 Ca 0.13 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1ri0 n GLN 7 Cb 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 30.24 30.56 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 -1.43 5.55 -1.44 -1.09 -0.00 -1.26 -5.04 118.16 113.45 1ri0 n LYS 8 Ca 0.00 -0.09 -0.30 0.00 -0.00 0.00 0.00 58.31 57.93 1ri0 n LYS 8 Cb 0.00 -0.61 0.19 0.00 -0.00 0.00 0.00 35.03 34.61 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 -0.91 0.05 -0.11 -1.58 4.04 -1.26 -5.05 118.70 113.88 1ri0 s GLU 9 Ca 0.00 -0.02 -0.06 0.00 0.04 0.00 0.00 54.97 54.94 1ri0 s GLU 9 Cb 0.01 -1.74 0.05 0.00 0.02 0.00 0.00 34.13 32.46 1ri0 s GLU 9 CO 0.03 -2.87 0.26 1.52 -1.84 0.00 0.00 175.26 172.36 1ri0 s TYR 10 N -3.31 -0.37 0.33 4.83 1.13 -1.26 -4.89 117.35 113.82 1ri0 s TYR 10 Ca 0.69 0.85 0.04 0.00 -1.41 0.00 0.00 57.07 57.25 1ri0 s TYR 10 Cb -0.10 0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1ri0 s TYR 10 CO 0.55 -0.25 0.19 0.15 -2.51 0.00 0.00 175.55 173.67 1ri0 s LYS 11 N 1.36 1.70 0.12 -3.49 -0.14 -1.26 -5.02 119.74 113.01 1ri0 s LYS 11 Ca -0.09 -1.99 -0.34 0.00 -1.36 0.00 0.00 55.97 52.19 1ri0 s LYS 11 Cb -0.10 -0.08 -0.18 0.00 -1.68 0.00 0.00 37.83 35.80 1ri0 s LYS 11 CO -0.09 -0.51 0.98 0.00 -0.76 0.00 0.00 175.35 174.97 1ri0 n GLY 13 N 1.85 0.88 3.77 0.00 0.00 -1.26 -5.04 105.19 105.39 1ri0 n GLY 13 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.95 7.49 -0.04 1.61 -1.08 0.15 -4.88 116.67 116.97 1ri0 s ASP 14 Ca 0.00 1.79 0.01 0.00 -0.52 0.00 0.00 52.55 53.83 1ri0 s ASP 14 Cb 0.00 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 1ri0 s ASP 14 CO 0.00 0.16 -0.05 -0.22 0.52 0.00 0.00 175.17 175.58 1ri0 s LEU 15 N -1.28 3.29 0.32 -1.34 1.98 -1.26 -0.80 118.68 119.58 1ri0 s LEU 15 Ca 0.40 -0.03 -0.18 0.00 -2.89 0.00 0.00 54.13 51.42 1ri0 s LEU 15 Cb -0.24 -1.81 0.06 0.00 0.66 0.00 0.00 46.19 44.86 1ri0 s LEU 15 CO 0.28 0.33 0.85 0.68 -1.89 0.00 0.00 176.35 176.60 1ri0 s VAL 16 N -0.93 0.00 -0.40 1.68 -7.23 -0.94 -4.86 120.40 107.72 1ri0 s VAL 16 Ca 0.15 -0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 59.24 1ri0 s VAL 16 Cb -0.11 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.11 1ri0 s VAL 16 CO 0.05 0.00 0.57 -0.36 -0.31 0.00 0.00 175.10 175.05 1ri0 s PHE 17 N -2.51 3.13 -0.17 2.82 0.08 -0.87 -1.63 117.98 118.82 1ri0 s PHE 17 Ca 0.16 0.01 -0.10 0.00 0.12 0.00 0.00 56.93 57.12 1ri0 s PHE 17 Cb -0.04 -3.12 -0.05 0.00 -0.57 0.00 0.00 43.02 39.23 1ri0 s PHE 17 CO 0.09 -0.72 0.18 0.00 -0.10 0.00 0.00 175.22 174.67 1ri0 s ALA 18 N 2.57 3.70 0.01 5.36 0.00 0.26 -1.74 121.76 131.92 1ri0 s ALA 18 Ca 0.20 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1ri0 s ALA 18 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1ri0 s ALA 18 CO 0.16 0.23 -0.02 0.21 0.00 0.00 0.00 175.76 176.35 1ri0 s LYS 19 N 0.10 2.71 0.11 0.00 2.20 -0.75 -0.49 119.74 123.62 1ri0 s LYS 19 Ca 0.12 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 55.13 1ri0 s LYS 19 Cb -0.12 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1ri0 s LYS 19 CO 0.01 0.61 -0.14 1.41 -0.36 0.00 0.00 175.35 176.88 1ri0 s MET 20 N -1.59 1.00 -0.02 4.03 -2.45 -1.02 -4.85 119.30 114.40 1ri0 s MET 20 Ca 0.19 -1.19 -0.33 0.00 -1.25 0.00 0.00 55.69 53.11 1ri0 s MET 20 Cb -0.11 -0.92 -0.12 0.00 1.25 0.00 0.00 34.83 34.93 1ri0 s MET 20 CO 0.10 0.18 1.85 1.17 1.05 0.00 0.00 175.02 179.37 1ri0 n LYS 21 N 0.67 2.33 0.00 4.11 0.00 -1.26 0.44 118.16 124.44 1ri0 n LYS 21 Ca -0.16 0.85 0.00 0.00 0.00 0.00 0.00 58.31 59.00 1ri0 n LYS 21 Cb 0.56 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.89 1ri0 n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ri0 n GLY 22 N 4.27 3.18 3.50 3.14 0.00 -1.26 -5.00 105.19 113.03 1ri0 n GLY 22 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.75 2.91 0.90 1.61 5.04 0.17 -5.12 117.35 121.12 1ri0 s TYR 23 Ca 0.00 -0.25 -0.12 0.00 -2.44 0.00 0.00 57.07 54.26 1ri0 s TYR 23 Cb 0.00 -1.81 0.13 0.00 0.35 0.00 0.00 41.96 40.64 1ri0 s TYR 23 CO 0.00 0.08 1.13 -1.25 -1.34 0.00 0.00 175.55 174.17 1ri0 s PRO 24 N -0.18 1.20 -0.40 4.97 0.04 -1.26 -2.44 135.00 136.94 1ri0 s PRO 24 Ca 0.02 0.31 -0.42 0.00 0.04 0.00 0.00 61.00 60.95 1ri0 s PRO 24 Cb -0.13 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.40 1ri0 s PRO 24 CO 0.03 -2.16 1.87 0.72 0.04 0.00 0.00 177.00 177.50 1ri0 n HIS 25 N -3.74 1.71 -4.81 0.56 8.25 -1.26 -4.47 115.22 111.45 1ri0 n HIS 25 Ca 0.07 0.70 -0.30 0.00 -0.26 0.00 0.00 57.72 57.93 1ri0 n HIS 25 Cb 0.59 -2.38 -0.14 0.00 1.12 0.00 0.00 29.99 29.18 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 4.57 2.27 -0.45 4.41 -0.11 0.36 -4.61 118.94 125.38 1ri0 s TRP 26 Ca 1.07 -0.41 -0.29 0.00 1.22 0.00 0.00 56.10 57.70 1ri0 s TRP 26 Cb -1.24 -1.34 0.01 0.00 -1.50 0.00 0.00 33.47 29.39 1ri0 s TRP 26 CO 0.67 0.15 1.43 -1.25 -4.62 0.00 0.00 176.95 173.34 1ri0 s PRO 27 N -1.35 3.49 0.20 5.86 0.04 -1.26 0.91 135.00 142.89 1ri0 s PRO 27 Ca 0.12 0.84 0.05 0.00 0.04 0.00 0.00 61.00 62.05 1ri0 s PRO 27 Cb -0.10 -4.06 -0.05 0.00 0.04 0.00 0.00 34.50 30.34 1ri0 s PRO 27 CO 0.03 -1.68 -0.07 0.00 0.04 0.00 0.00 177.00 175.32 1ri0 s ALA 28 N 5.68 1.78 0.19 8.56 0.00 -0.64 -2.37 121.76 134.94 1ri0 s ALA 28 Ca 0.60 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.95 1ri0 s ALA 28 Cb -0.13 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1ri0 s ALA 28 CO 0.31 -0.12 0.20 -0.98 0.00 0.00 0.00 175.76 175.18 1ri0 s ARG 29 N -3.77 3.08 0.38 0.00 1.70 0.90 -2.21 118.95 119.03 1ri0 s ARG 29 Ca 0.23 -0.84 -0.19 0.00 -0.47 0.00 0.00 55.73 54.47 1ri0 s ARG 29 Cb 0.03 -2.72 -0.10 0.00 -0.57 0.00 0.00 34.95 31.59 1ri0 s ARG 29 CO 0.06 0.47 0.86 -1.50 -1.08 0.00 0.00 175.30 174.10 1ri0 s ILE 30 N -1.85 4.51 -0.03 4.99 -1.16 0.02 -0.81 121.20 126.87 1ri0 s ILE 30 Ca 0.32 1.27 -0.25 0.00 -0.51 0.00 0.00 60.65 61.48 1ri0 s ILE 30 Cb -0.10 -3.62 0.05 0.00 0.61 0.00 0.00 42.46 39.40 1ri0 s ILE 30 CO 0.25 -0.24 0.56 -1.81 -2.81 0.00 0.00 174.94 170.89 1ri0 s ASP 31 N -2.19 -0.50 0.12 4.50 1.11 0.16 -4.08 116.67 115.79 1ri0 s ASP 31 Ca 0.58 0.47 0.01 0.00 0.18 0.00 0.00 52.55 53.79 1ri0 s ASP 31 Cb -0.10 0.47 -0.04 0.00 1.07 0.00 0.00 42.92 44.32 1ri0 s ASP 31 CO 0.15 -0.58 0.28 -1.61 1.18 0.00 0.00 175.17 174.59 1ri0 s GLU 32 N -1.41 3.47 -0.31 8.23 2.02 -1.26 -1.02 118.70 128.42 1ri0 s GLU 32 Ca -0.11 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 1ri0 s GLU 32 Cb -0.02 -2.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.25 1ri0 s GLU 32 CO 0.07 0.53 1.37 0.00 0.02 0.00 0.00 175.26 177.25 1ri0 s MET 33 N -2.94 3.83 1.02 1.61 0.23 -1.26 -4.69 119.30 117.10 1ri0 s MET 33 Ca 0.36 1.25 -0.16 0.00 -1.03 0.00 0.00 55.69 56.11 1ri0 s MET 33 Cb -0.12 -3.93 0.21 0.00 -1.53 0.00 0.00 34.83 29.46 1ri0 s MET 33 CO 0.28 -1.23 1.19 -1.25 -2.03 0.00 0.00 175.02 171.98 1ri0 s PRO 34 N 4.39 0.22 -0.05 3.16 0.04 -1.26 -4.99 135.00 136.51 1ri0 s PRO 34 Ca 0.60 -0.05 0.20 0.00 0.04 0.00 0.00 61.00 61.78 1ri0 s PRO 34 Cb -0.17 -1.76 0.36 0.00 0.04 0.00 0.00 34.50 32.96 1ri0 s PRO 34 CO 0.26 -2.75 1.14 -0.85 0.04 0.00 0.00 177.00 174.84 1ri0 n GLU 35 N -4.08 0.28 0.00 4.56 0.28 -1.25 -4.20 120.64 116.23 1ri0 n GLU 35 Ca 0.11 -1.98 0.00 0.00 -0.16 0.00 0.00 57.16 55.14 1ri0 n GLU 35 Cb 0.59 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.36 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 0.18 0.19 -0.06 -1.84 0.00 -1.26 -4.69 120.51 113.04 1ri0 n ALA 36 Ca -0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 1ri0 n ALA 36 Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.44 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 -1.86 0.12 -2.67 0.00 0.00 -2.04 -3.45 119.26 109.36 1ri0 h ALA 37 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1ri0 h ALA 37 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 1ri0 h ALA 37 CO 0.00 -0.50 -0.48 0.54 0.00 0.00 0.00 179.25 178.81 1ri0 s VAL 38 N -6.19 0.00 -0.53 0.00 0.11 -1.26 -5.12 120.40 107.41 1ri0 s VAL 38 Ca -0.14 -1.85 -0.07 0.00 -2.93 0.00 0.00 61.98 57.00 1ri0 s VAL 38 Cb 0.11 -2.43 0.14 0.00 -1.53 0.00 0.00 36.38 32.67 1ri0 s VAL 38 CO 0.69 0.00 0.38 -0.54 -3.33 0.00 0.00 175.10 172.30 1ri0 s LYS 39 N -4.07 2.50 0.74 1.54 3.01 -1.26 -3.88 119.74 118.32 1ri0 s LYS 39 Ca 0.35 -2.04 -0.13 0.00 -1.01 0.00 0.00 55.97 53.14 1ri0 s LYS 39 Cb 0.05 -3.85 0.18 0.00 -1.01 0.00 0.00 37.83 33.20 1ri0 s LYS 39 CO 0.12 -1.17 0.69 0.43 0.51 0.00 0.00 175.35 175.93 1ri0 n SER 40 N 4.38 -1.50 -4.16 2.83 7.64 -1.26 -5.05 113.62 116.50 1ri0 n SER 40 Ca -0.00 -0.95 -0.33 0.00 1.01 0.00 0.00 58.87 58.60 1ri0 n SER 40 Cb 0.41 -0.62 -0.16 0.00 -1.01 0.00 0.00 64.21 62.82 1ri0 n SER 40 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ri0 s THR 41 N -2.29 2.06 1.03 0.44 -4.23 -1.26 -5.10 115.64 106.29 1ri0 s THR 41 Ca 0.44 -0.97 -0.16 0.00 -1.18 0.00 0.00 61.69 59.82 1ri0 s THR 41 Cb -0.04 -1.82 0.11 0.00 1.34 0.00 0.00 72.50 72.09 1ri0 s THR 41 CO 0.34 0.55 0.04 0.00 -0.54 0.00 0.00 174.62 175.00 1ri0 n ALA 42 N 4.16 -2.09 -2.35 3.99 0.00 -1.26 -4.27 120.51 118.70 1ri0 n ALA 42 Ca -0.20 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1ri0 n ALA 42 Cb 0.51 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1ri0 n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ri0 n ASN 43 N -0.84 -1.77 -3.57 0.00 3.02 -1.26 -5.04 115.26 105.80 1ri0 n ASN 43 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.53 1ri0 n ASN 43 Cb 0.46 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 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 -4.70 0.47 0.12 3.52 -2.85 -1.26 -5.08 119.74 109.96 1ri0 s LYS 44 Ca 0.00 -0.18 0.08 0.00 -1.00 0.00 0.00 55.97 54.87 1ri0 s LYS 44 Cb 0.00 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1ri0 s LYS 44 CO 0.00 -0.21 -0.19 0.71 0.10 0.00 0.00 175.35 175.76 1ri0 s TYR 45 N -2.64 1.72 -0.13 1.78 1.51 -0.48 -4.80 117.35 114.31 1ri0 s TYR 45 Ca 0.08 -0.45 -0.18 0.00 -1.01 0.00 0.00 57.07 55.51 1ri0 s TYR 45 Cb -0.01 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1ri0 s TYR 45 CO -0.06 0.23 0.47 -1.14 -1.11 0.00 0.00 175.55 173.94 1ri0 s GLN 46 N -2.23 4.31 -0.04 -0.62 0.74 -0.19 -1.24 119.66 120.40 1ri0 s GLN 46 Ca 0.09 0.42 0.04 0.00 0.05 0.00 0.00 55.36 55.96 1ri0 s GLN 46 Cb -0.08 -3.45 -0.00 0.00 1.10 0.00 0.00 33.01 30.57 1ri0 s GLN 46 CO 0.05 0.12 -0.17 0.08 -0.55 0.00 0.00 175.29 174.82 1ri0 s VAL 47 N 0.77 1.41 -0.36 1.34 1.01 -0.73 0.36 120.40 124.20 1ri0 s VAL 47 Ca 0.25 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1ri0 s VAL 47 Cb -0.15 -1.21 0.07 0.00 0.00 0.00 0.00 36.38 35.09 1ri0 s VAL 47 CO 0.10 0.41 0.13 0.12 0.00 0.00 0.00 175.10 175.85 1ri0 s PHE 48 N 0.06 3.40 -0.20 5.22 2.19 0.01 0.49 117.98 129.14 1ri0 s PHE 48 Ca -0.04 -1.97 -0.29 0.00 0.33 0.00 0.00 56.93 54.96 1ri0 s PHE 48 Cb -0.12 -2.67 -0.01 0.00 -1.31 0.00 0.00 43.02 38.92 1ri0 s PHE 48 CO 0.02 -0.86 1.24 -0.06 1.83 0.00 0.00 175.22 177.39 1ri0 s PHE 49 N 1.25 2.87 0.22 10.12 0.40 0.15 -0.07 117.98 132.93 1ri0 s PHE 49 Ca 0.02 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.39 1ri0 s PHE 49 Cb -0.21 -3.56 0.21 0.00 0.51 0.00 0.00 43.02 39.97 1ri0 s PHE 49 CO -0.01 -1.55 1.55 0.74 0.70 0.00 0.00 175.22 176.65 1ri0 h PHE 50 N 8.34 0.48 0.48 0.36 0.04 -1.76 1.36 116.94 126.23 1ri0 h PHE 50 Ca -0.25 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.33 1ri0 h PHE 50 Cb 1.10 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 1ri0 h PHE 50 CO 0.81 0.85 -0.36 0.78 -0.60 0.00 0.00 178.31 179.79 1ri0 h GLY 51 N 1.26 -0.91 1.28 -1.45 0.00 -1.82 -3.00 103.07 98.43 1ri0 h GLY 51 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ri0 h GLY 51 CO 0.09 -0.32 -0.74 -0.91 0.00 0.00 0.00 176.54 174.66 1ri0 h THR 52 N -0.82 0.02 -3.93 4.70 1.35 -1.89 -3.46 112.91 108.88 1ri0 h THR 52 Ca -0.05 -1.03 -0.24 0.00 -0.55 0.00 0.00 66.41 64.54 1ri0 h THR 52 Cb 0.70 1.65 0.08 0.00 -1.73 0.00 0.00 68.15 68.86 1ri0 h THR 52 CO 0.01 0.01 -0.41 1.57 -0.25 0.00 0.00 175.52 176.45 1ri0 n HIS 53 N -2.80 -1.73 -4.19 4.73 -0.00 0.46 -5.03 115.22 106.66 1ri0 n HIS 53 Ca 0.01 0.61 -0.12 0.00 0.46 0.00 0.00 57.72 58.68 1ri0 n HIS 53 Cb 0.55 -3.45 -0.10 0.00 -0.12 0.00 0.00 29.99 26.87 1ri0 n HIS 53 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1ri0 s GLU 54 N -5.76 0.88 -0.33 1.57 -1.05 -0.67 -4.94 118.70 108.40 1ri0 s GLU 54 Ca 0.34 -1.30 -0.13 0.00 -0.15 0.00 0.00 54.97 53.73 1ri0 s GLU 54 Cb -0.15 -0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 33.14 1ri0 s GLU 54 CO 0.44 0.03 0.27 0.99 0.95 0.00 0.00 175.26 177.94 1ri0 s THR 55 N -3.19 5.25 -0.02 1.83 2.01 -1.26 0.31 115.64 120.56 1ri0 s THR 55 Ca 0.11 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1ri0 s THR 55 Cb 0.02 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1ri0 s THR 55 CO -0.02 -0.01 -0.14 0.00 -0.69 0.00 0.00 174.62 173.76 1ri0 s ALA 56 N 1.82 2.71 -0.48 7.40 0.00 0.18 -4.93 121.76 128.46 1ri0 s ALA 56 Ca 0.08 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 1ri0 s ALA 56 Cb -0.17 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1ri0 s ALA 56 CO 0.11 0.57 1.43 -0.06 0.00 0.00 0.00 175.76 177.80 1ri0 s PHE 57 N -0.82 2.33 0.25 0.00 0.08 -1.26 -1.77 117.98 116.79 1ri0 s PHE 57 Ca 0.13 0.59 0.01 0.00 0.12 0.00 0.00 56.93 57.79 1ri0 s PHE 57 Cb -0.11 -4.34 -0.04 0.00 -0.57 0.00 0.00 43.02 37.96 1ri0 s PHE 57 CO 0.03 -1.98 0.15 -0.51 -0.10 0.00 0.00 175.22 172.80 1ri0 s LEU 58 N 5.81 1.44 0.00 -0.37 1.43 -0.37 -4.95 118.68 121.66 1ri0 s LEU 58 Ca 0.58 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1ri0 s LEU 58 Cb -0.12 0.29 0.00 0.00 0.03 0.00 0.00 46.19 46.39 1ri0 s LEU 58 CO 0.29 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.62 1ri0 n GLY 59 N -0.42 6.82 0.13 -3.19 0.00 -1.26 -1.38 105.19 105.88 1ri0 n GLY 59 Ca 0.02 -1.85 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.97 -2.74 132.00 129.02 1ri0 h PRO 60 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.62 0.00 -0.22 -0.23 0.00 0.00 178.00 178.17 1ri0 h LYS 61 N 0.00 0.00 -0.55 0.86 1.63 -2.02 -1.82 116.57 114.68 1ri0 h LYS 61 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ri0 h LYS 61 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1ri0 h LYS 61 CO 0.08 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.83 1ri0 n ASP 62 N -2.79 3.59 -3.76 4.20 8.00 -1.05 -4.86 116.55 119.89 1ri0 n ASP 62 Ca 0.02 -2.08 -0.23 0.00 0.71 0.00 0.00 54.79 53.21 1ri0 n ASP 62 Cb 0.32 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.14 0.61 0.06 0.64 1.43 -0.68 -1.80 118.68 117.80 1ri0 s LEU 63 Ca 0.38 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1ri0 s LEU 63 Cb 0.21 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1ri0 s LEU 63 CO 0.24 -0.21 -0.15 -0.36 0.23 0.00 0.00 176.35 176.10 1ri0 s PHE 64 N 1.98 2.63 0.93 0.29 0.40 -0.71 -4.79 117.98 118.71 1ri0 s PHE 64 Ca 0.04 -0.21 -0.13 0.00 -0.60 0.00 0.00 56.93 56.03 1ri0 s PHE 64 Cb -0.13 -1.45 0.15 0.00 0.51 0.00 0.00 43.02 42.10 1ri0 s PHE 64 CO -0.06 0.33 1.15 -1.25 0.70 0.00 0.00 175.22 176.09 1ri0 s PRO 65 N -1.72 0.95 -0.03 0.24 0.04 -1.26 -2.05 135.00 131.17 1ri0 s PRO 65 Ca 0.17 0.22 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 1ri0 s PRO 65 Cb -0.11 -1.82 -0.32 0.00 0.04 0.00 0.00 34.50 32.29 1ri0 s PRO 65 CO 0.08 -2.31 0.82 -0.92 0.04 0.00 0.00 177.00 174.71 1ri0 h TYR 66 N -1.58 0.71 -0.38 0.56 3.20 -1.98 -2.73 116.97 114.77 1ri0 h TYR 66 Ca -0.50 -0.52 0.08 0.00 3.14 0.00 0.00 58.73 60.94 1ri0 h TYR 66 Cb 1.32 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.49 1ri0 h TYR 66 CO 0.04 1.51 -0.16 0.93 -1.64 0.00 0.00 178.16 178.84 1ri0 h GLU 67 N -0.10 -0.08 -0.31 1.82 4.39 -1.97 1.02 114.58 119.35 1ri0 h GLU 67 Ca -0.25 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 1ri0 h GLU 67 Cb 1.92 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.58 1ri0 h GLU 67 CO 0.18 -0.05 -0.04 1.49 -1.16 0.00 0.00 179.01 179.43 1ri0 h GLU 68 N -0.08 0.57 -0.03 2.33 4.22 -1.98 0.29 114.58 119.90 1ri0 h GLU 68 Ca 0.19 -0.20 0.02 0.00 0.08 0.00 0.00 59.36 59.45 1ri0 h GLU 68 Cb 0.37 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ri0 h GLU 68 CO -0.44 0.74 -0.11 0.77 -2.18 0.00 0.00 179.01 177.79 1ri0 h SER 69 N 0.35 -0.34 0.63 1.04 0.02 -0.97 0.15 113.55 114.44 1ri0 h SER 69 Ca 0.08 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1ri0 h SER 69 Cb 0.51 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1ri0 h SER 69 CO 0.02 -0.16 0.00 2.29 -1.14 0.00 0.00 176.83 177.84 1ri0 n LYS 70 N -5.25 0.09 -0.01 3.45 -0.00 0.34 -0.47 118.16 116.32 1ri0 n LYS 70 Ca -0.05 0.31 -0.13 0.00 -0.00 0.00 0.00 58.31 58.45 1ri0 n LYS 70 Cb 0.17 -1.66 -0.09 0.00 -0.00 0.00 0.00 35.03 33.44 1ri0 n LYS 70 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ri0 h GLU 71 N 0.00 0.03 0.00 -1.58 4.81 0.15 -3.42 114.58 114.57 1ri0 h GLU 71 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ri0 h GLU 71 Cb 0.32 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ri0 h GLU 71 CO 0.00 0.47 -0.20 1.17 -0.73 0.00 0.00 179.01 179.72 1ri0 n LYS 72 N -4.85 0.10 0.00 1.92 3.00 -0.93 -5.07 118.16 112.33 1ri0 n LYS 72 Ca -0.08 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ri0 n LYS 72 Cb 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 35.03 34.66 1ri0 n LYS 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ri0 n PHE 73 N -2.94 0.00 -0.98 5.64 3.01 0.34 -5.01 117.46 117.52 1ri0 n PHE 73 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1ri0 n PHE 73 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1ri0 n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ri0 n GLY 74 N 2.08 0.39 3.06 1.37 0.00 0.38 -3.98 105.19 108.50 1ri0 n GLY 74 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.56 2.00 1.01 1.61 -0.14 -1.26 -4.87 119.74 117.53 1ri0 s LYS 75 Ca 0.00 -2.12 -0.15 0.00 -1.36 0.00 0.00 55.97 52.34 1ri0 s LYS 75 Cb 0.00 -3.49 0.20 0.00 -1.68 0.00 0.00 37.83 32.86 1ri0 s LYS 75 CO 0.00 -1.07 1.19 -1.25 -0.76 0.00 0.00 175.35 173.46 1ri0 s PRO 76 N 0.59 0.29 0.50 -1.68 0.04 -1.26 -4.97 135.00 128.51 1ri0 s PRO 76 Ca 0.12 -0.03 -0.21 0.00 0.04 0.00 0.00 61.00 60.93 1ri0 s PRO 76 Cb -0.22 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1ri0 s PRO 76 CO -0.04 -2.71 0.66 0.09 0.04 0.00 0.00 177.00 175.04 1ri0 n ASN 77 N -4.06 -0.40 -4.45 6.66 3.02 -1.26 -4.85 115.26 109.92 1ri0 n ASN 77 Ca 0.11 0.85 -0.44 0.00 -0.03 0.00 0.00 54.58 55.07 1ri0 n ASN 77 Cb 0.59 -1.21 -0.01 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 -1.97 3.84 0.40 3.52 -0.14 -1.26 -4.91 119.74 119.22 1ri0 s LYS 78 Ca 0.67 -2.21 0.06 0.00 -1.36 0.00 0.00 55.97 53.13 1ri0 s LYS 78 Cb -0.51 -4.95 0.07 0.00 -1.68 0.00 0.00 37.83 30.76 1ri0 s LYS 78 CO 0.55 -1.73 0.55 0.54 -0.76 0.00 0.00 175.35 174.51 1ri0 n ARG 79 N 5.89 0.69 0.01 1.68 5.12 -1.26 -4.97 116.66 123.82 1ri0 n ARG 79 Ca 0.29 -2.10 -0.00 0.00 -1.93 0.00 0.00 57.85 54.11 1ri0 n ARG 79 Cb 0.46 -0.18 -0.00 0.00 -1.16 0.00 0.00 32.46 31.58 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 -0.02 0.00 5.56 1.57 -2.00 -2.31 116.57 119.36 1ri0 h LYS 80 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1ri0 h LYS 80 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1ri0 h LYS 80 CO 0.26 -0.01 0.27 0.78 -0.57 0.00 0.00 179.45 180.17 1ri0 h GLY 81 N -0.03 0.00 1.32 3.86 0.00 -1.97 0.27 103.07 106.51 1ri0 h GLY 81 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1ri0 h GLY 81 CO 0.00 0.00 -0.98 -2.75 0.00 0.00 0.00 176.54 172.82 1ri0 h PHE 82 N 0.00 0.91 0.39 5.60 3.04 -1.89 0.25 116.94 125.25 1ri0 h PHE 82 Ca 0.00 -0.48 -0.02 0.00 3.98 0.00 0.00 57.97 61.45 1ri0 h PHE 82 Cb 0.53 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1ri0 h PHE 82 CO 0.00 1.31 -0.19 1.03 -2.02 0.00 0.00 178.31 178.44 1ri0 h SER 83 N 0.36 -0.45 0.26 0.41 0.87 0.12 -0.14 113.55 114.98 1ri0 h SER 83 Ca -0.10 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 1ri0 h SER 83 Cb 1.62 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.68 1ri0 h SER 83 CO 0.19 -0.01 -0.28 1.05 -0.53 0.00 0.00 176.83 177.25 1ri0 h GLU 84 N -1.06 0.03 0.41 2.24 4.11 -1.60 -1.53 114.58 117.18 1ri0 h GLU 84 Ca -0.05 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1ri0 h GLU 84 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ri0 h GLU 84 CO 0.09 0.31 -0.20 0.78 0.07 0.00 0.00 179.01 180.06 1ri0 h GLY 85 N 0.87 -0.57 1.69 1.06 0.00 -0.53 0.96 103.07 106.55 1ri0 h GLY 85 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.59 1ri0 h GLY 85 CO 0.04 -0.21 0.11 -2.00 0.00 0.00 0.00 176.54 174.48 1ri0 h LEU 86 N -0.94 0.00 0.00 3.11 7.12 -0.94 0.56 115.31 124.23 1ri0 h LEU 86 Ca -0.06 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.90 1ri0 h LEU 86 Cb 0.55 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1ri0 h LEU 86 CO 0.09 0.00 -0.70 -0.25 -0.13 0.00 0.00 178.44 177.45 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.12 -1.42 115.95 117.56 1ri0 h TRP 87 Ca 0.07 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.03 1ri0 h TRP 87 Cb 0.29 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 1ri0 h TRP 87 CO 0.00 0.20 -0.27 0.93 -1.03 0.00 0.00 178.44 178.27 1ri0 h GLU 88 N 0.00 0.00 0.02 2.65 4.39 0.63 1.16 114.58 123.43 1ri0 h GLU 88 Ca -0.03 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.27 1ri0 h GLU 88 Cb 1.18 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 1ri0 h GLU 88 CO 0.02 0.27 -2.33 1.51 -1.16 0.00 0.00 179.01 177.32 1ri0 n ILE 89 N -3.42 1.55 0.15 3.13 0.00 -0.57 -3.25 119.36 116.95 1ri0 n ILE 89 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 62.75 62.28 1ri0 n ILE 89 Cb 0.46 -1.65 0.16 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 -0.35 0.00 -2.05 9.51 4.39 -1.29 -3.35 114.58 121.45 1ri0 h GLU 90 Ca -0.57 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.56 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 -0.17 0.56 -0.97 0.09 -1.16 0.00 0.00 179.01 177.36 1ri0 n ASN 91 N -3.50 1.15 -4.84 1.42 3.02 0.40 -5.03 115.26 107.89 1ri0 n ASN 91 Ca 0.00 -2.90 -0.33 0.00 -0.03 0.00 0.00 54.58 51.32 1ri0 n ASN 91 Cb 0.65 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.55 6.85 0.37 6.41 4.22 -1.20 -4.35 114.94 125.69 1ri0 s ASN 92 Ca 0.36 1.45 0.20 0.00 -2.14 0.00 0.00 52.86 52.73 1ri0 s ASN 92 Cb 0.17 -2.44 0.55 0.00 1.28 0.00 0.00 41.25 40.80 1ri0 s ASN 92 CO -0.08 -0.26 1.66 1.55 -2.04 0.00 0.00 177.10 177.93 1ri0 h PRO 93 N 2.14 0.00 -3.20 3.55 0.13 -1.93 -3.37 132.00 129.32 1ri0 h PRO 93 Ca -0.48 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 1ri0 h PRO 93 Cb 1.18 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.90 1ri0 h PRO 93 CO 0.64 0.33 -0.64 0.99 -0.23 0.00 0.00 178.00 179.09 1ri0 s THR 94 N -3.37 2.46 0.31 1.56 2.01 -1.26 -5.09 115.64 112.26 1ri0 s THR 94 Ca 0.02 -3.51 0.01 0.00 0.31 0.00 0.00 61.69 58.52 1ri0 s THR 94 Cb 0.09 -2.68 0.06 0.00 0.01 0.00 0.00 72.50 69.98 1ri0 s THR 94 CO 0.68 -0.89 0.43 0.55 -0.69 0.00 0.00 174.62 174.70 1ri0 n VAL 95 N 2.79 0.00 0.00 3.82 3.14 -1.26 -5.01 118.33 121.81 1ri0 n VAL 95 Ca 0.11 -0.76 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 1ri0 n VAL 95 Cb 0.34 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 1ri0 n VAL 95 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1ri0 n LYS 96 N -1.77 0.00 -3.50 1.45 -0.00 -1.26 -5.07 118.16 108.01 1ri0 n LYS 96 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.96 1ri0 n LYS 96 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.23 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ri0 s ALA 97 N -1.39 3.54 0.02 0.58 0.00 -1.26 -5.00 121.76 118.25 1ri0 s ALA 97 Ca 0.00 -2.71 -0.29 0.00 0.00 0.00 0.00 51.96 48.96 1ri0 s ALA 97 Cb 0.00 -2.97 0.10 0.00 0.00 0.00 0.00 23.12 20.26 1ri0 s ALA 97 CO 0.00 -1.99 1.24 -1.54 0.00 0.00 0.00 175.76 173.47 1ri0 s SER 98 N 2.57 -0.04 0.00 0.00 1.04 -1.26 -5.15 113.70 110.86 1ri0 s SER 98 Ca 0.08 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1ri0 s SER 98 Cb -0.24 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1ri0 s SER 98 CO -0.01 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1ri0 n GLY 99 N -0.65 -0.51 0.00 7.32 0.00 -1.26 -5.08 105.19 105.01 1ri0 n GLY 99 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ri0 n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60