#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 -0.53 1.07 7.83 1.04 -1.26 -5.16 113.70 116.69 1ri0 s SER 2 Ca 0.00 0.78 -0.13 0.00 0.48 0.00 0.00 55.95 57.08 1ri0 s SER 2 Cb 0.00 1.41 0.19 0.00 0.10 0.00 0.00 66.02 67.72 1ri0 s SER 2 CO 0.00 -0.12 0.83 -2.11 0.98 0.00 0.00 173.24 172.82 1ri0 n ARG 3 N 4.26 -1.49 -4.63 4.02 0.00 -1.26 -5.01 116.66 112.56 1ri0 n ARG 3 Ca -0.14 -0.39 -0.34 0.00 -0.00 0.00 0.00 57.85 56.98 1ri0 n ARG 3 Cb 0.55 -2.12 -0.12 0.00 -0.00 0.00 0.00 32.46 30.77 1ri0 n ARG 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ri0 s SER 4 N -2.34 4.57 0.69 2.89 0.01 -1.26 -5.10 113.70 113.16 1ri0 s SER 4 Ca 0.65 -0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.67 1ri0 s SER 4 Cb -0.22 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.75 1ri0 s SER 4 CO 0.64 0.32 1.21 0.54 0.41 0.00 0.00 173.24 176.36 1ri0 s ASN 5 N -0.55 4.52 1.29 2.44 4.22 -1.26 -5.00 114.94 120.60 1ri0 s ASN 5 Ca 0.08 2.38 -0.17 0.00 -2.14 0.00 0.00 52.86 53.01 1ri0 s ASN 5 Cb -0.12 -2.59 0.26 0.00 1.28 0.00 0.00 41.25 40.08 1ri0 s ASN 5 CO 0.02 -2.05 0.73 -2.11 -2.04 0.00 0.00 177.10 171.65 1ri0 n ARG 6 N -2.34 -3.48 0.00 3.55 1.85 -1.26 -5.05 116.66 109.93 1ri0 n ARG 6 Ca 0.14 -1.19 0.00 0.00 -1.00 0.00 0.00 57.85 55.80 1ri0 n ARG 6 Cb 0.50 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 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 -4.48 0.00 -0.01 2.89 3.00 -1.26 -4.94 117.38 112.58 1ri0 n GLN 7 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1ri0 n GLN 7 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 30.24 30.54 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 -2.32 1.64 -2.67 -1.09 -0.00 -1.26 -4.86 118.16 107.61 1ri0 n LYS 8 Ca 0.00 -0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 57.85 1ri0 n LYS 8 Cb 0.00 -1.12 -0.02 0.00 -0.00 0.00 0.00 35.03 33.88 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 -2.24 3.81 -0.04 -1.58 -1.05 -1.26 -4.99 118.70 111.34 1ri0 s GLU 9 Ca -0.02 0.66 -0.02 0.00 -0.15 0.00 0.00 54.97 55.44 1ri0 s GLU 9 Cb 0.02 -3.85 0.03 0.00 -0.44 0.00 0.00 34.13 29.90 1ri0 s GLU 9 CO 0.21 -1.17 0.08 1.52 0.95 0.00 0.00 175.26 176.85 1ri0 s TYR 10 N 4.02 -0.02 0.53 4.83 1.13 -1.26 -4.72 117.35 121.86 1ri0 s TYR 10 Ca 0.45 0.31 0.02 0.00 -1.41 0.00 0.00 57.07 56.43 1ri0 s TYR 10 Cb -0.09 -0.32 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 1ri0 s TYR 10 CO 0.25 -0.17 0.11 0.15 -2.51 0.00 0.00 175.55 173.38 1ri0 s LYS 11 N 1.74 2.23 0.57 -3.49 -0.14 -1.26 -5.03 119.74 114.36 1ri0 s LYS 11 Ca -0.01 -2.33 -0.19 0.00 -1.36 0.00 0.00 55.97 52.08 1ri0 s LYS 11 Cb -0.12 -1.67 -0.07 0.00 -1.68 0.00 0.00 37.83 34.28 1ri0 s LYS 11 CO -0.04 -0.47 0.77 0.00 -0.76 0.00 0.00 175.35 174.85 1ri0 n GLY 13 N 1.50 0.84 3.79 0.00 0.00 -1.25 -5.02 105.19 105.05 1ri0 n GLY 13 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 6.76 -0.14 1.61 -1.08 -0.66 -4.92 116.67 115.48 1ri0 s ASP 14 Ca 0.00 0.91 -0.08 0.00 -0.52 0.00 0.00 52.55 52.86 1ri0 s ASP 14 Cb 0.00 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 39.15 1ri0 s ASP 14 CO 0.00 0.21 0.15 -0.22 0.52 0.00 0.00 175.17 175.83 1ri0 s LEU 15 N -0.46 4.34 0.35 -1.34 1.98 -1.26 -1.14 118.68 121.15 1ri0 s LEU 15 Ca 0.24 0.42 -0.10 0.00 -2.89 0.00 0.00 54.13 51.80 1ri0 s LEU 15 Cb -0.16 -2.09 0.03 0.00 0.66 0.00 0.00 46.19 44.62 1ri0 s LEU 15 CO 0.12 0.34 0.62 0.68 -1.89 0.00 0.00 176.35 176.23 1ri0 s VAL 16 N -0.64 0.00 -0.33 1.68 -7.23 -0.90 -4.97 120.40 108.01 1ri0 s VAL 16 Ca 0.13 -1.30 -0.18 0.00 -1.81 0.00 0.00 61.98 58.82 1ri0 s VAL 16 Cb -0.12 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1ri0 s VAL 16 CO 0.03 0.00 0.52 -0.36 -0.31 0.00 0.00 175.10 174.98 1ri0 s PHE 17 N -2.87 3.20 -0.22 2.82 0.08 -0.86 -1.74 117.98 118.39 1ri0 s PHE 17 Ca 0.22 0.31 -0.09 0.00 0.12 0.00 0.00 56.93 57.49 1ri0 s PHE 17 Cb -0.03 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.49 1ri0 s PHE 17 CO 0.15 -0.48 0.11 0.00 -0.10 0.00 0.00 175.22 174.89 1ri0 s ALA 18 N 2.40 3.44 -0.03 5.36 0.00 0.21 -1.33 121.76 131.81 1ri0 s ALA 18 Ca 0.20 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1ri0 s ALA 18 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 1ri0 s ALA 18 CO 0.12 -0.15 -0.02 0.21 0.00 0.00 0.00 175.76 175.92 1ri0 s LYS 19 N 0.98 2.78 0.11 0.00 2.20 -0.18 -0.93 119.74 124.70 1ri0 s LYS 19 Ca 0.06 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.14 1ri0 s LYS 19 Cb -0.14 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1ri0 s LYS 19 CO 0.03 0.64 -0.13 1.41 -0.36 0.00 0.00 175.35 176.94 1ri0 s MET 20 N -1.25 0.96 0.06 4.03 -2.45 -1.05 -4.83 119.30 114.77 1ri0 s MET 20 Ca 0.16 -1.18 -0.33 0.00 -1.25 0.00 0.00 55.69 53.09 1ri0 s MET 20 Cb -0.11 -0.83 -0.12 0.00 1.25 0.00 0.00 34.83 35.02 1ri0 s MET 20 CO 0.06 0.16 1.78 1.17 1.05 0.00 0.00 175.02 179.24 1ri0 n LYS 21 N 0.65 2.39 0.00 4.11 4.81 -1.26 0.26 118.16 129.12 1ri0 n LYS 21 Ca -0.16 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1ri0 n LYS 21 Cb 0.57 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 4.05 3.06 3.37 3.14 0.00 -1.26 -4.99 105.19 112.56 1ri0 n GLY 22 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.84 2.66 0.91 1.61 5.04 0.14 -5.13 117.35 120.75 1ri0 s TYR 23 Ca 0.00 -0.53 -0.12 0.00 -2.44 0.00 0.00 57.07 53.97 1ri0 s TYR 23 Cb 0.00 -1.70 0.14 0.00 0.35 0.00 0.00 41.96 40.74 1ri0 s TYR 23 CO 0.00 -0.10 1.14 -1.25 -1.34 0.00 0.00 175.55 174.00 1ri0 s PRO 24 N -0.13 1.15 -0.30 4.97 0.04 -1.26 -2.52 135.00 136.95 1ri0 s PRO 24 Ca -0.02 0.29 -0.42 0.00 0.04 0.00 0.00 61.00 60.89 1ri0 s PRO 24 Cb -0.14 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.39 1ri0 s PRO 24 CO 0.04 -2.19 1.66 0.72 0.04 0.00 0.00 177.00 177.27 1ri0 n HIS 25 N -3.76 1.90 -4.64 0.56 8.25 -1.26 -4.49 115.22 111.78 1ri0 n HIS 25 Ca 0.07 0.72 -0.26 0.00 -0.26 0.00 0.00 57.72 57.99 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 3.10 1.85 -0.51 4.41 -0.11 -0.10 -4.58 118.94 123.00 1ri0 s TRP 26 Ca 0.99 -0.38 -0.28 0.00 1.22 0.00 0.00 56.10 57.65 1ri0 s TRP 26 Cb -1.18 -1.10 0.01 0.00 -1.50 0.00 0.00 33.47 29.70 1ri0 s TRP 26 CO 0.68 0.10 1.47 -1.25 -4.62 0.00 0.00 176.95 173.34 1ri0 s PRO 27 N -1.23 3.32 0.16 5.86 0.04 -1.26 0.67 135.00 142.57 1ri0 s PRO 27 Ca 0.08 0.66 0.07 0.00 0.04 0.00 0.00 61.00 61.84 1ri0 s PRO 27 Cb -0.09 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1ri0 s PRO 27 CO 0.02 -1.90 -0.14 0.00 0.04 0.00 0.00 177.00 175.02 1ri0 s ALA 28 N 6.19 1.74 0.09 8.56 0.00 -0.71 -2.35 121.76 135.27 1ri0 s ALA 28 Ca 0.58 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1ri0 s ALA 28 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1ri0 s ALA 28 CO 0.27 0.06 0.25 -0.98 0.00 0.00 0.00 175.76 175.36 1ri0 s ARG 29 N -3.29 3.47 0.35 0.00 1.70 0.12 -2.11 118.95 119.19 1ri0 s ARG 29 Ca 0.16 -0.41 -0.25 0.00 -0.47 0.00 0.00 55.73 54.76 1ri0 s ARG 29 Cb -0.02 -2.99 -0.10 0.00 -0.57 0.00 0.00 34.95 31.27 1ri0 s ARG 29 CO 0.04 0.57 0.97 -1.50 -1.08 0.00 0.00 175.30 174.30 1ri0 s ILE 30 N -1.58 4.09 -0.06 4.99 -1.16 -0.29 -0.43 121.20 126.77 1ri0 s ILE 30 Ca 0.36 1.67 -0.16 0.00 -0.51 0.00 0.00 60.65 62.00 1ri0 s ILE 30 Cb -0.12 -3.89 0.03 0.00 0.61 0.00 0.00 42.46 39.09 1ri0 s ILE 30 CO 0.28 0.07 0.37 -1.81 -2.81 0.00 0.00 174.94 171.04 1ri0 s ASP 31 N -1.64 -0.30 0.30 4.50 1.11 0.85 -3.97 116.67 117.53 1ri0 s ASP 31 Ca 0.53 0.35 0.07 0.00 0.18 0.00 0.00 52.55 53.68 1ri0 s ASP 31 Cb -0.19 0.48 -0.03 0.00 1.07 0.00 0.00 42.92 44.25 1ri0 s ASP 31 CO 0.24 -0.37 0.26 -0.70 1.18 0.00 0.00 175.17 175.77 1ri0 s GLU 32 N -0.87 2.80 0.16 8.23 2.12 -1.26 -0.37 118.70 129.51 1ri0 s GLU 32 Ca -0.09 -1.20 -0.30 0.00 0.36 0.00 0.00 54.97 53.73 1ri0 s GLU 32 Cb -0.04 -2.51 -0.07 0.00 0.26 0.00 0.00 34.13 31.77 1ri0 s GLU 32 CO 0.04 0.21 1.14 0.00 -0.54 0.00 0.00 175.26 176.11 1ri0 s MET 33 N -3.94 4.54 0.78 4.30 0.23 -1.26 -4.76 119.30 119.19 1ri0 s MET 33 Ca 0.38 1.76 -0.11 0.00 -1.03 0.00 0.00 55.69 56.68 1ri0 s MET 33 Cb -0.07 -3.28 0.06 0.00 -1.53 0.00 0.00 34.83 30.01 1ri0 s MET 33 CO 0.26 -0.01 1.09 -1.25 -2.03 0.00 0.00 175.02 173.07 1ri0 s PRO 34 N -0.12 2.27 -0.04 3.16 0.04 -1.26 -5.01 135.00 134.04 1ri0 s PRO 34 Ca 0.52 0.70 0.21 0.00 0.04 0.00 0.00 61.00 62.46 1ri0 s PRO 34 Cb -0.30 -1.93 0.36 0.00 0.04 0.00 0.00 34.50 32.67 1ri0 s PRO 34 CO 0.34 -1.51 1.14 -0.85 0.04 0.00 0.00 177.00 176.17 1ri0 n GLU 35 N -3.37 0.23 -0.03 4.56 0.28 -1.26 -4.03 120.64 117.03 1ri0 n GLU 35 Ca 0.07 -1.97 -0.04 0.00 -0.16 0.00 0.00 57.16 55.05 1ri0 n GLU 35 Cb 0.56 -0.08 -0.01 0.00 1.43 0.00 0.00 31.44 33.33 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 0.23 1.38 0.34 -1.84 0.00 -1.26 -4.75 120.51 114.61 1ri0 n ALA 36 Ca -0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.81 1ri0 n ALA 36 Cb 1.02 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 20.46 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 -0.88 -0.83 -2.58 0.00 0.00 -2.04 -3.46 119.26 109.48 1ri0 h ALA 37 Ca 0.00 -0.18 -0.45 0.00 0.00 0.00 0.00 54.91 54.28 1ri0 h ALA 37 Cb 0.49 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 1ri0 h ALA 37 CO 0.00 -0.96 -0.52 0.14 0.00 0.00 0.00 179.25 177.91 1ri0 s VAL 38 N -6.06 0.14 -0.50 0.00 -7.23 -1.26 -5.12 120.40 100.38 1ri0 s VAL 38 Ca -0.17 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 57.90 1ri0 s VAL 38 Cb 0.04 -2.48 0.13 0.00 0.56 0.00 0.00 36.38 34.63 1ri0 s VAL 38 CO 0.62 0.00 0.39 -0.54 -0.31 0.00 0.00 175.10 175.26 1ri0 s LYS 39 N -3.64 2.58 0.80 4.82 1.02 -1.26 -4.01 119.74 120.06 1ri0 s LYS 39 Ca 0.37 -1.83 -0.14 0.00 0.02 0.00 0.00 55.97 54.40 1ri0 s LYS 39 Cb 0.03 -3.98 0.20 0.00 -0.52 0.00 0.00 37.83 33.56 1ri0 s LYS 39 CO 0.22 -1.21 0.79 0.43 -0.92 0.00 0.00 175.35 174.66 1ri0 n SER 40 N 4.84 -1.32 -4.33 2.83 7.64 -1.26 -5.06 113.62 116.97 1ri0 n SER 40 Ca -0.07 -1.05 -0.32 0.00 1.01 0.00 0.00 58.87 58.44 1ri0 n SER 40 Cb 0.41 -0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.52 2.50 -0.16 0.44 -4.23 -1.26 -5.10 115.64 105.32 1ri0 s THR 41 Ca 0.50 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.82 1ri0 s THR 41 Cb -0.04 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 1ri0 s THR 41 CO 0.37 0.56 0.99 0.00 -0.54 0.00 0.00 174.62 176.01 1ri0 s ALA 42 N -0.11 3.51 0.00 3.99 0.00 -1.26 -4.33 121.76 123.57 1ri0 s ALA 42 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1ri0 s ALA 42 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1ri0 s ALA 42 CO 0.04 -0.76 0.00 0.27 0.00 0.00 0.00 175.76 175.31 1ri0 n ASN 43 N 5.47 0.00 -4.63 0.00 0.23 -1.26 -5.15 115.26 109.92 1ri0 n ASN 43 Ca 0.09 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 53.87 1ri0 n ASN 43 Cb 0.48 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.08 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 2.00 0.04 -3.83 0.00 -1.26 -5.06 119.74 111.64 1ri0 s LYS 44 Ca 0.00 -2.01 0.08 0.00 0.00 0.00 0.00 55.97 54.05 1ri0 s LYS 44 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 37.83 36.07 1ri0 s LYS 44 CO 0.00 -0.02 -0.24 -0.47 0.00 0.00 0.00 175.35 174.62 1ri0 s TYR 45 N -2.66 2.08 0.17 1.78 5.04 -0.70 -4.84 117.35 118.22 1ri0 s TYR 45 Ca 0.36 -0.39 -0.24 0.00 -2.44 0.00 0.00 57.07 54.36 1ri0 s TYR 45 Cb 0.07 -1.24 -0.08 0.00 0.35 0.00 0.00 41.96 41.06 1ri0 s TYR 45 CO 0.19 0.11 0.76 -0.65 -1.34 0.00 0.00 175.55 174.62 1ri0 s GLN 46 N -1.21 4.49 -0.02 4.97 -0.21 0.51 -1.79 119.66 126.38 1ri0 s GLN 46 Ca 0.10 1.08 0.01 0.00 0.02 0.00 0.00 55.36 56.57 1ri0 s GLN 46 Cb -0.09 -3.18 0.02 0.00 1.00 0.00 0.00 33.01 30.76 1ri0 s GLN 46 CO 0.02 0.54 -0.01 0.08 -2.12 0.00 0.00 175.29 173.80 1ri0 s VAL 47 N -1.23 0.21 -0.37 1.09 1.01 -0.59 -0.10 120.40 120.43 1ri0 s VAL 47 Ca 0.37 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1ri0 s VAL 47 Cb -0.22 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 35.95 1ri0 s VAL 47 CO 0.25 0.13 0.15 0.12 0.00 0.00 0.00 175.10 175.75 1ri0 s PHE 48 N 0.77 3.32 -0.20 5.22 2.19 0.43 0.51 117.98 130.20 1ri0 s PHE 48 Ca -0.08 -1.59 -0.29 0.00 0.33 0.00 0.00 56.93 55.30 1ri0 s PHE 48 Cb -0.11 -2.56 -0.01 0.00 -1.31 0.00 0.00 43.02 39.03 1ri0 s PHE 48 CO -0.01 -0.79 1.21 -0.06 1.83 0.00 0.00 175.22 177.40 1ri0 s PHE 49 N 1.37 2.95 0.24 10.12 0.40 0.13 0.10 117.98 133.29 1ri0 s PHE 49 Ca 0.01 1.10 0.07 0.00 -0.60 0.00 0.00 56.93 57.51 1ri0 s PHE 49 Cb -0.21 -3.50 0.25 0.00 0.51 0.00 0.00 43.02 40.08 1ri0 s PHE 49 CO 0.02 -1.40 1.55 0.74 0.70 0.00 0.00 175.22 176.83 1ri0 h PHE 50 N 8.14 0.16 0.66 0.36 0.04 -1.76 1.25 116.94 125.79 1ri0 h PHE 50 Ca -0.24 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 1ri0 h PHE 50 Cb 1.09 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1ri0 h PHE 50 CO 0.80 0.74 -0.35 0.78 -0.60 0.00 0.00 178.31 179.68 1ri0 h GLY 51 N 1.72 -0.98 1.22 -1.45 0.00 -1.78 -3.16 103.07 98.64 1ri0 h GLY 51 Ca -0.01 0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 1ri0 h GLY 51 CO 0.09 -0.35 -1.02 -0.91 0.00 0.00 0.00 176.54 174.35 1ri0 h THR 52 N -0.93 0.33 -2.90 4.70 1.35 -1.85 -3.44 112.91 110.17 1ri0 h THR 52 Ca -0.09 -1.58 -0.16 0.00 -0.55 0.00 0.00 66.41 64.03 1ri0 h THR 52 Cb 0.73 1.89 0.05 0.00 -1.73 0.00 0.00 68.15 69.10 1ri0 h THR 52 CO 0.12 0.19 -0.27 1.57 -0.25 0.00 0.00 175.52 176.88 1ri0 n HIS 53 N -2.88 -1.13 -4.16 4.73 -0.00 0.42 -5.04 115.22 107.16 1ri0 n HIS 53 Ca -0.03 0.40 -0.14 0.00 0.46 0.00 0.00 57.72 58.41 1ri0 n HIS 53 Cb 0.70 -2.59 -0.11 0.00 -0.12 0.00 0.00 29.99 27.86 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 -5.50 0.81 -0.33 1.57 0.41 -0.74 -4.93 118.70 109.99 1ri0 s GLU 54 Ca 0.23 -1.14 -0.15 0.00 -0.41 0.00 0.00 54.97 53.50 1ri0 s GLU 54 Cb -0.10 -0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 31.78 1ri0 s GLU 54 CO 0.29 0.06 0.34 0.99 -0.49 0.00 0.00 175.26 176.45 1ri0 s THR 55 N -2.50 5.19 0.11 3.63 2.01 -1.26 0.17 115.64 122.98 1ri0 s THR 55 Ca 0.05 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.20 1ri0 s THR 55 Cb -0.02 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1ri0 s THR 55 CO -0.01 -0.04 -0.11 0.00 -0.69 0.00 0.00 174.62 173.77 1ri0 s ALA 56 N 1.98 2.91 -0.46 7.40 0.00 0.18 -4.93 121.76 128.83 1ri0 s ALA 56 Ca 0.11 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.55 1ri0 s ALA 56 Cb -0.17 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.14 1ri0 s ALA 56 CO 0.11 0.63 0.88 -0.59 0.00 0.00 0.00 175.76 176.79 1ri0 s PHE 57 N -1.23 2.94 0.35 0.00 -0.71 -1.26 -1.54 117.98 116.52 1ri0 s PHE 57 Ca 0.21 0.27 0.04 0.00 -1.04 0.00 0.00 56.93 56.41 1ri0 s PHE 57 Cb -0.11 -3.87 -0.03 0.00 -1.21 0.00 0.00 43.02 37.80 1ri0 s PHE 57 CO 0.13 -1.08 0.17 -0.51 -1.34 0.00 0.00 175.22 172.59 1ri0 s LEU 58 N 3.61 1.82 0.00 -1.99 1.43 -0.74 -4.99 118.68 117.82 1ri0 s LEU 58 Ca 0.34 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 1ri0 s LEU 58 Cb -0.11 0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.27 1ri0 s LEU 58 CO 0.25 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.50 1ri0 n GLY 59 N -0.71 6.45 0.14 -3.19 0.00 -1.26 -1.72 105.19 104.89 1ri0 n GLY 59 Ca -0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 0.23 -0.50 1.61 0.13 -1.96 -3.00 132.00 128.50 1ri0 h PRO 60 Ca 0.00 -0.23 -0.09 0.00 -0.87 0.00 0.00 66.00 64.81 1ri0 h PRO 60 Cb 0.00 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 1ri0 h PRO 60 CO 0.00 0.92 -0.06 1.57 -0.23 0.00 0.00 178.00 180.20 1ri0 h LYS 61 N 0.14 0.90 0.00 0.86 2.10 -2.01 -1.00 116.57 117.56 1ri0 h LYS 61 Ca -0.04 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1ri0 h LYS 61 Cb 1.41 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1ri0 h LYS 61 CO 0.13 0.93 0.00 -0.25 -2.00 0.00 0.00 179.45 178.26 1ri0 n ASP 62 N -4.17 0.03 -4.24 7.07 8.00 -1.19 -4.47 116.55 117.59 1ri0 n ASP 62 Ca 0.02 0.51 -0.35 0.00 0.71 0.00 0.00 54.79 55.68 1ri0 n ASP 62 Cb 0.36 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.07 3.12 0.10 0.64 2.96 -0.38 -1.01 118.68 121.04 1ri0 s LEU 63 Ca 0.08 -0.72 0.09 0.00 -0.22 0.00 0.00 54.13 53.36 1ri0 s LEU 63 Cb 0.11 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1ri0 s LEU 63 CO 0.32 -0.10 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.65 1ri0 s PHE 64 N 1.38 2.07 0.86 5.38 0.40 -0.44 -4.83 117.98 122.80 1ri0 s PHE 64 Ca 0.02 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.84 1ri0 s PHE 64 Cb -0.16 -1.15 0.11 0.00 0.51 0.00 0.00 43.02 42.33 1ri0 s PHE 64 CO -0.04 0.24 1.12 -1.25 0.70 0.00 0.00 175.22 175.99 1ri0 s PRO 65 N -1.83 1.59 0.17 0.24 0.04 -1.26 -2.02 135.00 131.93 1ri0 s PRO 65 Ca 0.10 0.45 -0.07 0.00 0.04 0.00 0.00 61.00 61.52 1ri0 s PRO 65 Cb -0.10 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1ri0 s PRO 65 CO 0.05 -1.93 1.48 -0.92 0.04 0.00 0.00 177.00 175.72 1ri0 h TYR 66 N -1.31 0.91 -0.39 0.56 3.20 -1.94 -2.30 116.97 115.70 1ri0 h TYR 66 Ca -0.49 -0.30 0.08 0.00 3.14 0.00 0.00 58.73 61.16 1ri0 h TYR 66 Cb 1.30 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 1ri0 h TYR 66 CO 0.37 1.08 -0.11 1.49 -1.64 0.00 0.00 178.16 179.35 1ri0 h GLU 67 N 0.58 -0.02 -0.13 1.82 4.81 -1.94 0.49 114.58 120.19 1ri0 h GLU 67 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1ri0 h GLU 67 Cb 1.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1ri0 h GLU 67 CO 0.10 -0.01 0.01 0.93 -0.73 0.00 0.00 179.01 179.31 1ri0 h GLU 68 N -0.02 0.23 -0.21 1.92 5.08 -1.94 -1.25 114.58 118.38 1ri0 h GLU 68 Ca 0.19 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1ri0 h GLU 68 Cb 0.30 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1ri0 h GLU 68 CO -0.41 0.45 -0.23 1.03 -1.00 0.00 0.00 179.01 178.85 1ri0 h SER 69 N -0.02 -0.74 0.19 1.42 0.87 -0.78 0.45 113.55 114.94 1ri0 h SER 69 Ca 0.04 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1ri0 h SER 69 Cb 0.34 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1ri0 h SER 69 CO 0.01 -0.27 -0.04 0.07 -0.53 0.00 0.00 176.83 176.06 1ri0 h LYS 70 N -0.25 0.00 -0.57 2.24 2.10 0.01 2.05 116.57 122.14 1ri0 h LYS 70 Ca 0.13 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1ri0 h LYS 70 Cb 0.45 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.75 1ri0 h LYS 70 CO -0.36 0.04 0.34 1.49 -2.00 0.00 0.00 179.45 178.97 1ri0 h GLU 71 N 0.00 0.77 0.00 0.07 4.81 0.11 -3.36 114.58 116.98 1ri0 h GLU 71 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ri0 h GLU 71 Cb 0.15 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1ri0 h GLU 71 CO 0.01 0.56 -0.22 1.17 -0.73 0.00 0.00 179.01 179.79 1ri0 n LYS 72 N -4.64 0.16 0.03 1.92 3.00 -0.69 -4.99 118.16 112.95 1ri0 n LYS 72 Ca 0.04 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1ri0 n LYS 72 Cb 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.11 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 -3.07 -0.43 -0.78 5.64 -1.74 0.93 -5.01 117.46 112.99 1ri0 n PHE 73 Ca -0.03 0.08 0.00 0.00 -0.56 0.00 0.00 57.45 56.94 1ri0 n PHE 73 Cb 0.12 0.34 0.00 0.00 1.52 0.00 0.00 39.48 41.46 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 2.06 0.45 2.69 4.97 0.00 0.66 -4.53 105.19 111.49 1ri0 n GLY 74 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ri0 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ri0 s LYS 75 N -0.60 0.70 1.03 1.61 -2.85 -1.26 -4.75 119.74 113.62 1ri0 s LYS 75 Ca 0.00 -1.13 -0.16 0.00 -1.00 0.00 0.00 55.97 53.68 1ri0 s LYS 75 Cb 0.00 -1.89 0.21 0.00 -2.06 0.00 0.00 37.83 34.09 1ri0 s LYS 75 CO 0.00 -1.03 1.19 -1.25 0.10 0.00 0.00 175.35 174.37 1ri0 s PRO 76 N 1.50 0.16 -0.31 1.78 0.04 -1.26 -4.88 135.00 132.03 1ri0 s PRO 76 Ca 0.11 -0.08 -0.39 0.00 0.04 0.00 0.00 61.00 60.68 1ri0 s PRO 76 Cb -0.18 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 1ri0 s PRO 76 CO -0.22 -2.79 1.88 0.09 0.04 0.00 0.00 177.00 176.00 1ri0 n ASN 77 N -4.11 2.26 -4.19 6.66 5.03 -1.26 -4.76 115.26 114.89 1ri0 n ASN 77 Ca 0.12 0.90 -0.37 0.00 0.87 0.00 0.00 54.58 56.09 1ri0 n ASN 77 Cb 0.59 -1.16 -0.04 0.00 -1.02 0.00 0.00 39.78 38.16 1ri0 n ASN 77 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ri0 n LYS 78 N 6.23 2.05 -1.27 3.52 4.01 -1.26 -4.79 118.16 126.66 1ri0 n LYS 78 Ca 0.32 -2.47 -0.09 0.00 -0.51 0.00 0.00 58.31 55.56 1ri0 n LYS 78 Cb 0.14 -3.39 0.05 0.00 -0.51 0.00 0.00 35.03 31.32 1ri0 n LYS 78 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ri0 n ARG 79 N 7.65 0.23 0.23 1.97 5.12 -1.26 -4.91 116.66 125.69 1ri0 n ARG 79 Ca 0.48 -0.99 -0.09 0.00 -1.93 0.00 0.00 57.85 55.31 1ri0 n ARG 79 Cb 0.44 -0.29 -0.04 0.00 -1.16 0.00 0.00 32.46 31.41 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 -0.58 0.00 5.56 1.57 -2.01 -2.36 116.57 118.75 1ri0 h LYS 80 Ca -0.13 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ri0 h LYS 80 Cb 0.46 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1ri0 h LYS 80 CO 0.13 -0.39 0.00 0.41 -0.57 0.00 0.00 179.45 179.03 1ri0 n GLY 81 N -0.36 -0.71 0.16 3.86 0.00 -1.26 -1.36 105.19 105.51 1ri0 n GLY 81 Ca -0.08 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 0.90 0.24 1.61 3.04 -1.81 -0.10 116.94 120.82 1ri0 h PHE 82 Ca 0.00 -0.59 -0.01 0.00 3.98 0.00 0.00 57.97 61.34 1ri0 h PHE 82 Cb 0.05 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1ri0 h PHE 82 CO 0.00 1.44 -0.11 1.03 -2.02 0.00 0.00 178.31 178.65 1ri0 h SER 83 N 0.21 -0.27 0.10 0.41 0.87 -0.68 -1.07 113.55 113.11 1ri0 h SER 83 Ca -0.19 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1ri0 h SER 83 Cb 1.96 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 1ri0 h SER 83 CO 0.24 0.23 -0.14 1.05 -0.53 0.00 0.00 176.83 177.67 1ri0 h GLU 84 N -1.03 0.10 0.21 2.24 4.11 -1.63 -0.62 114.58 117.96 1ri0 h GLU 84 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1ri0 h GLU 84 Cb 0.38 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ri0 h GLU 84 CO 0.05 0.25 -0.10 0.78 0.07 0.00 0.00 179.01 180.06 1ri0 h GLY 85 N 0.60 -0.30 2.00 1.06 0.00 -1.07 1.12 103.07 106.48 1ri0 h GLY 85 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1ri0 h GLY 85 CO 0.02 -0.11 -0.05 -2.00 0.00 0.00 0.00 176.54 174.40 1ri0 h LEU 86 N -0.72 0.00 0.00 3.11 7.12 -1.01 0.23 115.31 124.04 1ri0 h LEU 86 Ca -0.03 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.94 1ri0 h LEU 86 Cb 0.49 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 1ri0 h LEU 86 CO 0.05 0.05 -0.82 -0.25 -0.13 0.00 0.00 178.44 177.33 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -0.97 -2.09 115.95 117.05 1ri0 h TRP 87 Ca -0.00 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 1ri0 h TRP 87 Cb 0.10 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 1ri0 h TRP 87 CO 0.00 0.15 -0.36 0.93 -1.03 0.00 0.00 178.44 178.13 1ri0 h GLU 88 N 0.00 0.00 0.04 2.65 5.08 0.46 1.52 114.58 124.33 1ri0 h GLU 88 Ca -0.03 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 1ri0 h GLU 88 Cb 1.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1ri0 h GLU 88 CO 0.01 0.36 -2.13 1.51 -1.00 0.00 0.00 179.01 177.77 1ri0 n ILE 89 N -3.69 1.60 0.11 3.13 0.00 -0.74 -2.91 119.36 116.86 1ri0 n ILE 89 Ca -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 62.75 62.25 1ri0 n ILE 89 Cb 0.46 -1.73 0.10 0.00 0.00 0.00 0.00 39.64 38.48 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 0.08 -2.06 9.51 4.39 -1.39 -3.34 114.58 121.39 1ri0 h GLU 90 Ca -0.52 -0.07 -0.57 0.00 0.34 0.00 0.00 59.36 58.55 1ri0 h GLU 90 Cb 1.77 0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 30.04 1ri0 h GLU 90 CO -0.13 0.74 -0.96 0.09 -1.16 0.00 0.00 179.01 177.59 1ri0 n ASN 91 N -3.75 1.32 -4.75 1.42 3.02 0.52 -5.03 115.26 108.01 1ri0 n ASN 91 Ca -0.02 -2.94 -0.35 0.00 -0.03 0.00 0.00 54.58 51.24 1ri0 n ASN 91 Cb 0.68 -0.65 0.05 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.66 4.90 0.18 6.41 2.20 -1.15 -4.34 114.94 121.49 1ri0 s ASN 92 Ca 0.37 2.34 0.03 0.00 -0.94 0.00 0.00 52.86 54.66 1ri0 s ASN 92 Cb 0.17 -2.59 0.05 0.00 -2.00 0.00 0.00 41.25 36.89 1ri0 s ASN 92 CO -0.08 -1.79 1.42 1.55 -2.94 0.00 0.00 177.10 175.26 1ri0 h PRO 93 N 0.46 0.21 -3.32 3.55 0.13 -1.91 -3.39 132.00 127.72 1ri0 h PRO 93 Ca -0.49 -0.20 -0.62 0.00 -0.87 0.00 0.00 66.00 63.82 1ri0 h PRO 93 Cb 1.29 0.05 -0.40 0.00 0.13 0.00 0.00 31.00 32.07 1ri0 h PRO 93 CO 0.53 0.91 -0.72 -0.08 -0.23 0.00 0.00 178.00 178.42 1ri0 s THR 94 N -3.34 1.62 0.86 1.56 -1.32 -1.26 -5.11 115.64 108.66 1ri0 s THR 94 Ca -0.03 -2.49 -0.12 0.00 -1.21 0.00 0.00 61.69 57.85 1ri0 s THR 94 Cb 0.11 -2.15 0.15 0.00 -1.51 0.00 0.00 72.50 69.09 1ri0 s THR 94 CO 0.82 -0.81 1.20 0.54 -2.21 0.00 0.00 174.62 174.16 1ri0 s VAL 95 N 0.50 2.06 0.00 5.08 0.11 -1.26 -4.99 120.40 121.90 1ri0 s VAL 95 Ca 0.16 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1ri0 s VAL 95 Cb -0.23 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1ri0 s VAL 95 CO -0.05 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.01 1ri0 n LYS 96 N -3.43 0.00 -1.44 1.54 2.85 -1.26 -5.08 118.16 111.34 1ri0 n LYS 96 Ca 0.13 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 56.93 1ri0 n LYS 96 Cb 0.60 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.85 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ri0 n ALA 97 N -1.63 0.35 0.08 0.58 0.00 -1.26 -4.77 120.51 113.86 1ri0 n ALA 97 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1ri0 n ALA 97 Cb 0.00 -2.31 -0.08 0.00 0.00 0.00 0.00 19.45 17.06 1ri0 n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ri0 h SER 98 N 11.90 -1.36 -3.09 0.00 0.02 -2.06 -3.33 113.55 115.63 1ri0 h SER 98 Ca -0.09 0.16 -0.69 0.00 -0.84 0.00 0.00 61.79 60.33 1ri0 h SER 98 Cb 1.33 0.52 -0.19 0.00 0.14 0.00 0.00 62.40 64.21 1ri0 h SER 98 CO 1.28 -0.49 0.10 -0.83 -1.14 0.00 0.00 176.83 175.75 1ri0 s GLY 99 N -2.37 1.75 0.00 -3.77 0.00 -1.26 -5.28 107.32 96.39 1ri0 s GLY 99 Ca -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.63 1ri0 s GLY 99 CO 0.63 1.55 0.43 2.98 0.00 0.00 0.00 173.10 178.68