#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri0 s SER 2 N 0.00 3.95 0.12 7.83 0.01 -1.26 -5.12 113.70 119.24 1ri0 s SER 2 Ca 0.00 -1.37 -0.06 0.00 1.31 0.00 0.00 55.95 55.82 1ri0 s SER 2 Cb 0.00 -1.15 -0.06 0.00 0.21 0.00 0.00 66.02 65.02 1ri0 s SER 2 CO 0.00 -0.29 0.38 0.00 0.41 0.00 0.00 173.24 173.74 1ri0 s ARG 3 N 1.39 3.65 -0.32 12.44 1.70 -1.26 -5.07 118.95 131.49 1ri0 s ARG 3 Ca -0.00 -0.02 -0.16 0.00 -0.47 0.00 0.00 55.73 55.08 1ri0 s ARG 3 Cb -0.18 -2.88 -0.02 0.00 -0.57 0.00 0.00 34.95 31.29 1ri0 s ARG 3 CO -0.10 0.49 0.40 -1.54 -1.08 0.00 0.00 175.30 173.47 1ri0 s SER 4 N -2.24 6.23 0.34 -2.89 1.04 -1.26 -5.06 113.70 109.86 1ri0 s SER 4 Ca 0.39 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.88 1ri0 s SER 4 Cb -0.12 -2.22 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1ri0 s SER 4 CO 0.23 -0.32 0.10 0.54 0.98 0.00 0.00 173.24 174.76 1ri0 s ASN 5 N 1.71 4.52 0.77 7.02 4.22 -1.26 -5.14 114.94 126.78 1ri0 s ASN 5 Ca 0.14 -0.85 -0.02 0.00 -2.14 0.00 0.00 52.86 50.00 1ri0 s ASN 5 Cb -0.16 -0.66 0.15 0.00 1.28 0.00 0.00 41.25 41.86 1ri0 s ASN 5 CO 0.11 -0.29 1.02 -2.11 -2.04 0.00 0.00 177.10 173.80 1ri0 n ARG 6 N -1.09 -0.24 0.00 3.55 1.85 -1.26 -5.12 116.66 114.35 1ri0 n ARG 6 Ca -0.03 -2.60 0.00 0.00 -1.00 0.00 0.00 57.85 54.21 1ri0 n ARG 6 Cb 0.62 -0.74 0.00 0.00 -1.05 0.00 0.00 32.46 31.29 1ri0 n ARG 6 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ri0 n GLN 7 N -2.93 0.00 -0.08 2.89 0.00 -1.26 -4.86 117.38 111.14 1ri0 n GLN 7 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 57.00 57.18 1ri0 n GLN 7 Cb 0.58 0.00 0.06 0.00 0.00 0.00 0.00 30.24 30.88 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 0.00 1.38 -1.68 2.61 -0.00 -1.26 -4.89 118.16 114.32 1ri0 n LYS 8 Ca 0.00 -0.50 -0.50 0.00 -0.00 0.00 0.00 58.31 57.31 1ri0 n LYS 8 Cb 0.00 -1.19 -0.05 0.00 -0.00 0.00 0.00 35.03 33.78 1ri0 n LYS 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ri0 n GLU 9 N -0.07 1.90 -3.69 -1.58 1.02 -1.26 -4.95 120.64 112.02 1ri0 n GLU 9 Ca 0.05 0.69 -0.12 0.00 -0.02 0.00 0.00 57.16 57.76 1ri0 n GLU 9 Cb 0.17 -2.48 -0.13 0.00 -0.02 0.00 0.00 31.44 28.98 1ri0 n GLU 9 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1ri0 s TYR 10 N 3.17 -0.43 0.29 -0.32 1.13 -1.26 -5.07 117.35 114.85 1ri0 s TYR 10 Ca 0.91 0.98 -0.02 0.00 -1.41 0.00 0.00 57.07 57.53 1ri0 s TYR 10 Cb -0.78 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.10 1ri0 s TYR 10 CO 0.52 -0.32 0.36 0.15 -2.51 0.00 0.00 175.55 173.74 1ri0 s LYS 11 N 1.97 1.65 -0.24 -3.49 -0.14 -1.26 -5.03 119.74 113.20 1ri0 s LYS 11 Ca -0.03 -1.70 -0.41 0.00 -1.36 0.00 0.00 55.97 52.47 1ri0 s LYS 11 Cb -0.11 0.38 -0.17 0.00 -1.68 0.00 0.00 37.83 36.25 1ri0 s LYS 11 CO -0.09 -0.64 1.56 0.00 -0.76 0.00 0.00 175.35 175.41 1ri0 n GLY 13 N 3.53 0.96 3.77 0.00 0.00 -1.25 -5.07 105.19 107.12 1ri0 n GLY 13 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.12 6.10 -0.10 1.61 2.15 0.95 -4.94 116.67 120.31 1ri0 s ASP 14 Ca 0.00 0.29 -0.11 0.00 0.43 0.00 0.00 52.55 53.16 1ri0 s ASP 14 Cb 0.00 -2.01 -0.05 0.00 -0.30 0.00 0.00 42.92 40.56 1ri0 s ASP 14 CO 0.00 0.28 0.24 -0.22 -0.17 0.00 0.00 175.17 175.31 1ri0 s LEU 15 N -0.28 4.37 0.37 -1.34 1.98 -1.26 -1.42 118.68 121.09 1ri0 s LEU 15 Ca 0.10 0.59 -0.14 0.00 -2.89 0.00 0.00 54.13 51.80 1ri0 s LEU 15 Cb -0.12 -2.28 0.04 0.00 0.66 0.00 0.00 46.19 44.50 1ri0 s LEU 15 CO 0.01 0.30 0.74 0.68 -1.89 0.00 0.00 176.35 176.19 1ri0 s VAL 16 N -0.62 0.00 -0.08 1.68 -7.23 -1.00 -4.95 120.40 108.20 1ri0 s VAL 16 Ca 0.17 -1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 59.07 1ri0 s VAL 16 Cb -0.13 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 1ri0 s VAL 16 CO 0.06 0.00 0.47 0.12 -0.31 0.00 0.00 175.10 175.44 1ri0 s PHE 17 N -2.53 3.57 -0.06 2.82 2.19 -0.93 -2.08 117.98 120.96 1ri0 s PHE 17 Ca 0.17 0.94 0.02 0.00 0.33 0.00 0.00 56.93 58.39 1ri0 s PHE 17 Cb -0.04 -2.50 0.01 0.00 -1.31 0.00 0.00 43.02 39.18 1ri0 s PHE 17 CO 0.12 0.28 -0.11 0.00 1.83 0.00 0.00 175.22 177.35 1ri0 s ALA 18 N 0.20 1.12 0.15 11.12 0.00 0.95 -0.32 121.76 134.99 1ri0 s ALA 18 Ca 0.26 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.97 1ri0 s ALA 18 Cb -0.16 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1ri0 s ALA 18 CO 0.11 0.10 -0.20 -1.59 0.00 0.00 0.00 175.76 174.19 1ri0 s LYS 19 N 0.64 1.69 0.11 0.00 0.00 -0.67 0.07 119.74 121.58 1ri0 s LYS 19 Ca -0.13 -1.33 0.04 0.00 0.00 0.00 0.00 55.97 54.55 1ri0 s LYS 19 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 37.83 35.64 1ri0 s LYS 19 CO 0.03 0.44 -0.11 1.41 0.00 0.00 0.00 175.35 177.12 1ri0 s MET 20 N -2.42 0.92 -0.06 1.78 1.75 -1.03 -4.82 119.30 115.41 1ri0 s MET 20 Ca 0.19 -1.23 -0.33 0.00 -1.25 0.00 0.00 55.69 53.08 1ri0 s MET 20 Cb -0.09 -0.60 -0.11 0.00 2.84 0.00 0.00 34.83 36.87 1ri0 s MET 20 CO 0.10 0.09 1.93 1.17 -0.65 0.00 0.00 175.02 177.67 1ri0 n LYS 21 N 0.40 2.38 0.00 4.11 3.00 -1.26 0.42 118.16 127.21 1ri0 n LYS 21 Ca -0.15 0.87 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 1ri0 n LYS 21 Cb 0.58 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 32.83 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 4.55 3.31 3.44 3.14 0.00 -1.26 -5.02 105.19 113.35 1ri0 n GLY 22 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.31 2.75 0.59 1.61 5.04 0.17 -5.12 117.35 120.08 1ri0 s TYR 23 Ca 0.00 -0.35 -0.15 0.00 -2.44 0.00 0.00 57.07 54.13 1ri0 s TYR 23 Cb 0.00 -1.72 -0.04 0.00 0.35 0.00 0.00 41.96 40.56 1ri0 s TYR 23 CO 0.00 0.03 1.05 -1.25 -1.34 0.00 0.00 175.55 174.04 1ri0 s PRO 24 N -0.29 3.36 -0.48 4.97 0.04 -1.26 -2.47 135.00 138.86 1ri0 s PRO 24 Ca 0.02 1.15 -0.45 0.00 0.04 0.00 0.00 61.00 61.76 1ri0 s PRO 24 Cb -0.13 -2.04 -0.19 0.00 0.04 0.00 0.00 34.50 32.18 1ri0 s PRO 24 CO 0.03 -0.77 1.82 0.72 0.04 0.00 0.00 177.00 178.83 1ri0 n HIS 25 N -2.08 1.58 -4.46 0.56 8.25 -1.26 -4.60 115.22 113.21 1ri0 n HIS 25 Ca 0.08 0.93 -0.25 0.00 -0.26 0.00 0.00 57.72 58.23 1ri0 n HIS 25 Cb 0.53 -2.28 -0.11 0.00 1.12 0.00 0.00 29.99 29.25 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 4.24 2.29 -0.49 4.41 -0.00 0.11 -4.62 118.94 124.88 1ri0 s TRP 26 Ca 1.10 -0.34 -0.28 0.00 -0.00 0.00 0.00 56.10 56.58 1ri0 s TRP 26 Cb -1.44 -1.03 0.01 0.00 -0.00 0.00 0.00 33.47 31.01 1ri0 s TRP 26 CO 0.74 0.65 1.45 -1.25 -0.00 0.00 0.00 176.95 178.54 1ri0 s PRO 27 N -3.26 3.39 0.19 5.86 0.04 -1.26 -0.03 135.00 139.92 1ri0 s PRO 27 Ca 0.27 0.72 0.09 0.00 0.04 0.00 0.00 61.00 62.13 1ri0 s PRO 27 Cb -0.06 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1ri0 s PRO 27 CO 0.13 -1.80 -0.19 0.00 0.04 0.00 0.00 177.00 175.18 1ri0 s ALA 28 N 5.96 2.15 0.05 8.56 0.00 -0.88 -2.13 121.76 135.47 1ri0 s ALA 28 Ca 0.58 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1ri0 s ALA 28 Cb -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1ri0 s ALA 28 CO 0.29 0.24 0.01 -0.98 0.00 0.00 0.00 175.76 175.32 1ri0 s ARG 29 N -2.98 2.69 0.40 0.00 1.70 0.13 -2.37 118.95 118.53 1ri0 s ARG 29 Ca 0.19 -0.73 -0.25 0.00 -0.47 0.00 0.00 55.73 54.47 1ri0 s ARG 29 Cb -0.05 -2.62 -0.08 0.00 -0.57 0.00 0.00 34.95 31.62 1ri0 s ARG 29 CO 0.08 0.58 1.15 -1.50 -1.08 0.00 0.00 175.30 174.52 1ri0 s ILE 30 N -1.24 3.24 -0.08 4.99 -1.16 -0.51 -1.11 121.20 125.33 1ri0 s ILE 30 Ca 0.24 1.02 -0.16 0.00 -0.51 0.00 0.00 60.65 61.24 1ri0 s ILE 30 Cb -0.12 -3.56 0.04 0.00 0.61 0.00 0.00 42.46 39.43 1ri0 s ILE 30 CO 0.16 0.07 0.39 -1.81 -2.81 0.00 0.00 174.94 170.95 1ri0 s ASP 31 N -1.22 -0.34 0.45 4.50 1.01 0.16 -3.94 116.67 117.28 1ri0 s ASP 31 Ca 0.58 0.48 -0.03 0.00 0.71 0.00 0.00 52.55 54.29 1ri0 s ASP 31 Cb -0.29 0.57 -0.03 0.00 1.01 0.00 0.00 42.92 44.18 1ri0 s ASP 31 CO 0.36 -0.33 0.71 -1.83 0.21 0.00 0.00 175.17 174.30 1ri0 s GLU 32 N -0.62 3.43 -0.21 8.23 -1.05 -1.26 -0.18 118.70 127.03 1ri0 s GLU 32 Ca -0.07 -0.04 -0.26 0.00 -0.15 0.00 0.00 54.97 54.44 1ri0 s GLU 32 Cb -0.04 -2.47 -0.00 0.00 -0.44 0.00 0.00 34.13 31.18 1ri0 s GLU 32 CO 0.03 -0.14 0.91 0.00 0.95 0.00 0.00 175.26 177.01 1ri0 s MET 33 N -4.62 4.25 0.61 -4.83 0.23 -1.26 -4.59 119.30 109.09 1ri0 s MET 33 Ca 0.46 1.12 -0.14 0.00 -1.03 0.00 0.00 55.69 56.10 1ri0 s MET 33 Cb -0.10 -3.62 -0.03 0.00 -1.53 0.00 0.00 34.83 29.55 1ri0 s MET 33 CO 0.42 -0.50 1.05 -1.25 -2.03 0.00 0.00 175.02 172.70 1ri0 s PRO 34 N 2.76 3.27 -0.16 3.16 0.04 -1.26 -4.98 135.00 137.83 1ri0 s PRO 34 Ca 0.39 1.12 0.14 0.00 0.04 0.00 0.00 61.00 62.69 1ri0 s PRO 34 Cb -0.16 -2.03 0.36 0.00 0.04 0.00 0.00 34.50 32.71 1ri0 s PRO 34 CO 0.09 -0.84 1.18 -0.85 0.04 0.00 0.00 177.00 176.62 1ri0 n GLU 35 N -2.28 1.36 0.00 4.56 0.28 -1.25 -4.47 120.64 118.85 1ri0 n GLU 35 Ca 0.08 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.18 1ri0 n GLU 35 Cb 0.53 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.92 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 -1.16 1.00 -0.12 -1.84 0.00 -1.26 -4.68 120.51 112.46 1ri0 n ALA 36 Ca 0.17 -0.03 0.23 0.00 0.00 0.00 0.00 53.44 53.81 1ri0 n ALA 36 Cb 0.69 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.80 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 -1.09 2.55 -2.86 0.00 0.00 -2.03 -3.43 119.26 112.41 1ri0 h ALA 37 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1ri0 h ALA 37 Cb 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.71 1ri0 h ALA 37 CO 0.00 -0.77 -0.38 0.14 0.00 0.00 0.00 179.25 178.23 1ri0 s VAL 38 N -5.10 0.00 0.00 0.00 -7.23 -1.26 -5.17 120.40 101.64 1ri0 s VAL 38 Ca -0.06 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1ri0 s VAL 38 Cb 0.21 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1ri0 s VAL 38 CO 0.76 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.84 1ri0 n LYS 39 N -0.54 2.83 -3.74 4.82 2.85 -1.26 -3.77 118.16 119.35 1ri0 n LYS 39 Ca 0.04 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.17 1ri0 n LYS 39 Cb 0.63 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.87 1ri0 n LYS 39 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1ri0 s SER 40 N -1.27 -0.19 0.37 -5.58 1.04 -1.26 -4.07 113.70 102.74 1ri0 s SER 40 Ca 0.00 0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.93 1ri0 s SER 40 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 1ri0 s SER 40 CO 0.00 -0.15 0.03 -0.89 0.98 0.00 0.00 173.24 173.21 1ri0 s THR 41 N 1.14 2.35 0.55 2.02 2.01 -1.26 -5.15 115.64 117.31 1ri0 s THR 41 Ca -0.09 -1.95 0.08 0.00 0.31 0.00 0.00 61.69 60.04 1ri0 s THR 41 Cb -0.10 -2.87 0.06 0.00 0.01 0.00 0.00 72.50 69.60 1ri0 s THR 41 CO -0.07 -0.11 0.60 0.00 -0.69 0.00 0.00 174.62 174.36 1ri0 s ALA 42 N -2.59 4.57 -1.26 7.40 0.00 -1.26 -4.64 121.76 123.97 1ri0 s ALA 42 Ca 0.36 -1.74 -0.23 0.00 0.00 0.00 0.00 51.96 50.35 1ri0 s ALA 42 Cb 0.04 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1ri0 s ALA 42 CO 0.19 -0.65 0.43 0.27 0.00 0.00 0.00 175.76 176.01 1ri0 n ASN 43 N -2.00 -2.31 -3.64 0.00 6.94 -1.26 -4.90 115.26 108.08 1ri0 n ASN 43 Ca 0.08 -1.24 -0.06 0.00 -0.02 0.00 0.00 54.58 53.34 1ri0 n ASN 43 Cb 0.63 -1.50 -0.07 0.00 -2.36 0.00 0.00 39.78 36.48 1ri0 n ASN 43 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1ri0 s LYS 44 N -7.32 0.34 0.07 -3.83 -2.85 -1.26 -5.04 119.74 99.85 1ri0 s LYS 44 Ca 0.32 0.44 0.06 0.00 -1.00 0.00 0.00 55.97 55.79 1ri0 s LYS 44 Cb -0.18 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 1ri0 s LYS 44 CO 0.94 -0.05 -0.16 0.71 0.10 0.00 0.00 175.35 176.89 1ri0 s TYR 45 N 0.39 1.38 0.08 1.78 1.51 -0.81 -4.86 117.35 116.82 1ri0 s TYR 45 Ca 0.02 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.38 1ri0 s TYR 45 Cb -0.05 -0.78 -0.06 0.00 -0.11 0.00 0.00 41.96 40.97 1ri0 s TYR 45 CO -0.10 0.09 0.85 -0.65 -1.11 0.00 0.00 175.55 174.62 1ri0 s GLN 46 N -1.68 4.59 -0.05 -0.62 -1.52 0.75 -1.93 119.66 119.20 1ri0 s GLN 46 Ca 0.01 1.23 -0.00 0.00 -1.95 0.00 0.00 55.36 54.65 1ri0 s GLN 46 Cb -0.10 -3.36 0.03 0.00 -0.22 0.00 0.00 33.01 29.36 1ri0 s GLN 46 CO 0.03 0.29 -0.00 0.08 -0.25 0.00 0.00 175.29 175.43 1ri0 s VAL 47 N -0.15 0.28 -0.14 1.09 1.01 -0.74 0.37 120.40 122.12 1ri0 s VAL 47 Ca 0.42 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1ri0 s VAL 47 Cb -0.22 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1ri0 s VAL 47 CO 0.26 0.20 0.02 0.12 0.00 0.00 0.00 175.10 175.70 1ri0 s PHE 48 N 1.41 3.19 -0.21 5.22 5.36 -0.27 -0.56 117.98 132.12 1ri0 s PHE 48 Ca -0.04 0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 55.86 1ri0 s PHE 48 Cb -0.13 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.56 1ri0 s PHE 48 CO -0.03 0.25 0.24 -0.06 -1.46 0.00 0.00 175.22 174.17 1ri0 s PHE 49 N -0.14 3.37 -0.09 10.12 0.40 0.91 0.17 117.98 132.72 1ri0 s PHE 49 Ca 0.05 0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 1ri0 s PHE 49 Cb -0.12 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 1ri0 s PHE 49 CO 0.02 0.12 0.12 0.74 0.70 0.00 0.00 175.22 176.92 1ri0 h PHE 50 N 7.17 -0.10 -1.00 0.36 0.04 -1.72 0.42 116.94 122.11 1ri0 h PHE 50 Ca -0.39 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.52 1ri0 h PHE 50 Cb 1.16 0.03 -0.15 0.00 2.20 0.00 0.00 35.95 39.19 1ri0 h PHE 50 CO 0.64 -0.06 -0.43 0.78 -0.60 0.00 0.00 178.31 178.64 1ri0 h GLY 51 N -1.01 -0.10 1.87 -1.45 0.00 -1.80 0.29 103.07 100.87 1ri0 h GLY 51 Ca -0.01 0.58 -0.23 0.00 0.00 0.00 0.00 47.33 47.66 1ri0 h GLY 51 CO 0.02 -0.16 -1.09 -0.91 0.00 0.00 0.00 176.54 174.40 1ri0 h THR 52 N -0.00 1.63 -2.58 4.70 1.35 -1.87 -3.46 112.91 112.69 1ri0 h THR 52 Ca 0.31 -3.30 -0.13 0.00 -0.55 0.00 0.00 66.41 62.73 1ri0 h THR 52 Cb 0.56 2.87 0.05 0.00 -1.73 0.00 0.00 68.15 69.90 1ri0 h THR 52 CO -0.98 0.94 -0.23 1.57 -0.25 0.00 0.00 175.52 176.58 1ri0 n HIS 53 N -3.40 -0.95 -4.23 4.73 -0.00 0.13 -5.05 115.22 106.45 1ri0 n HIS 53 Ca -0.03 0.33 -0.17 0.00 0.46 0.00 0.00 57.72 58.31 1ri0 n HIS 53 Cb 0.97 -2.35 -0.13 0.00 -0.12 0.00 0.00 29.99 28.36 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 -5.41 0.69 -0.25 1.57 0.41 -0.41 -4.94 118.70 110.36 1ri0 s GLU 54 Ca 0.19 -0.60 -0.16 0.00 -0.41 0.00 0.00 54.97 53.99 1ri0 s GLU 54 Cb -0.08 -0.63 -0.03 0.00 -1.78 0.00 0.00 34.13 31.61 1ri0 s GLU 54 CO 0.24 0.15 0.44 0.99 -0.49 0.00 0.00 175.26 176.59 1ri0 s THR 55 N -0.79 5.14 0.12 3.63 2.01 -1.26 -0.07 115.64 124.42 1ri0 s THR 55 Ca -0.01 0.74 0.06 0.00 0.31 0.00 0.00 61.69 62.79 1ri0 s THR 55 Cb -0.07 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1ri0 s THR 55 CO 0.01 0.15 -0.16 0.00 -0.69 0.00 0.00 174.62 173.93 1ri0 s ALA 56 N 1.95 1.56 -0.20 7.40 0.00 0.27 -4.98 121.76 127.76 1ri0 s ALA 56 Ca 0.19 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 1ri0 s ALA 56 Cb -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ri0 s ALA 56 CO 0.09 0.17 0.73 -0.59 0.00 0.00 0.00 175.76 176.16 1ri0 s PHE 57 N -1.83 3.38 0.31 0.00 -0.12 -1.26 -1.80 117.98 116.66 1ri0 s PHE 57 Ca 0.08 1.06 0.05 0.00 -0.05 0.00 0.00 56.93 58.07 1ri0 s PHE 57 Cb -0.07 -2.91 -0.03 0.00 -0.63 0.00 0.00 43.02 39.39 1ri0 s PHE 57 CO 0.04 -0.24 0.28 -0.51 -0.05 0.00 0.00 175.22 174.74 1ri0 s LEU 58 N 2.15 1.58 0.00 -1.99 1.43 -0.81 -4.94 118.68 116.09 1ri0 s LEU 58 Ca 0.33 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 1ri0 s LEU 58 Cb -0.16 0.63 0.00 0.00 0.03 0.00 0.00 46.19 46.69 1ri0 s LEU 58 CO 0.11 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.24 1ri0 n GLY 59 N -0.56 7.53 0.16 -3.19 0.00 -1.26 -1.93 105.19 105.94 1ri0 n GLY 59 Ca 0.06 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 0.35 -0.57 1.61 0.13 -1.96 -2.97 132.00 128.59 1ri0 h PRO 60 Ca 0.00 -0.35 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 1ri0 h PRO 60 Cb 0.00 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 1ri0 h PRO 60 CO 0.00 1.02 0.19 -0.22 -0.23 0.00 0.00 178.00 178.76 1ri0 h LYS 61 N 0.21 0.87 0.00 0.86 3.64 -2.00 -1.16 116.57 118.99 1ri0 h LYS 61 Ca -0.05 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1ri0 h LYS 61 Cb 1.46 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1ri0 h LYS 61 CO 0.14 0.78 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.61 1ri0 h ASP 62 N 0.79 0.00 -2.84 4.20 3.32 -1.87 -3.41 116.42 116.61 1ri0 h ASP 62 Ca 0.18 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.59 1ri0 h ASP 62 Cb 0.26 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 1ri0 h ASP 62 CO -0.01 0.05 -0.50 -0.22 -1.72 0.00 0.00 179.24 176.84 1ri0 s LEU 63 N -6.74 4.30 0.01 1.55 2.96 -0.44 -1.68 118.68 118.64 1ri0 s LEU 63 Ca -0.03 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1ri0 s LEU 63 Cb 0.12 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 1ri0 s LEU 63 CO 0.53 0.28 0.01 -0.36 -1.32 0.00 0.00 176.35 175.48 1ri0 s PHE 64 N -1.28 0.13 0.66 5.38 0.40 0.56 -4.85 117.98 118.99 1ri0 s PHE 64 Ca 0.26 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.19 1ri0 s PHE 64 Cb -0.12 -0.10 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 1ri0 s PHE 64 CO 0.17 -0.13 1.06 -1.25 0.70 0.00 0.00 175.22 175.76 1ri0 s PRO 65 N -0.91 3.08 0.05 0.24 0.04 -1.26 -2.20 135.00 134.05 1ri0 s PRO 65 Ca -0.10 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 1ri0 s PRO 65 Cb -0.06 -2.01 -0.31 0.00 0.04 0.00 0.00 34.50 32.16 1ri0 s PRO 65 CO -0.00 -0.99 1.08 -0.92 0.04 0.00 0.00 177.00 176.21 1ri0 h TYR 66 N -0.35 0.80 -0.20 0.56 3.20 -1.98 -2.43 116.97 116.59 1ri0 h TYR 66 Ca -0.45 -0.57 0.05 0.00 3.14 0.00 0.00 58.73 60.90 1ri0 h TYR 66 Cb 1.21 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 1ri0 h TYR 66 CO 0.61 1.44 -0.13 0.93 -1.64 0.00 0.00 178.16 179.37 1ri0 h GLU 67 N 0.14 -0.12 -0.41 1.82 5.08 -1.97 0.75 114.58 119.87 1ri0 h GLU 67 Ca -0.20 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 1ri0 h GLU 67 Cb 2.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 1ri0 h GLU 67 CO 0.24 -0.08 -0.30 0.93 -1.00 0.00 0.00 179.01 178.80 1ri0 h GLU 68 N -0.12 0.90 0.08 2.33 4.39 -1.98 -0.50 114.58 119.67 1ri0 h GLU 68 Ca 0.11 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1ri0 h GLU 68 Cb 0.29 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1ri0 h GLU 68 CO -0.27 1.08 -0.06 0.66 -1.16 0.00 0.00 179.01 179.26 1ri0 h SER 69 N 0.76 -0.15 0.77 1.42 4.64 -0.84 -0.45 113.55 119.71 1ri0 h SER 69 Ca 0.08 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ri0 h SER 69 Cb 0.87 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ri0 h SER 69 CO 0.08 -0.09 0.00 2.29 -0.87 0.00 0.00 176.83 178.23 1ri0 n LYS 70 N -5.16 0.17 -0.08 4.77 2.85 0.26 0.27 118.16 121.24 1ri0 n LYS 70 Ca -0.07 0.37 -0.13 0.00 -1.05 0.00 0.00 58.31 57.43 1ri0 n LYS 70 Cb 0.09 -1.81 -0.05 0.00 -0.65 0.00 0.00 35.03 32.61 1ri0 n LYS 70 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1ri0 h GLU 71 N 0.00 0.55 0.00 -1.58 4.57 0.59 -3.41 114.58 115.29 1ri0 h GLU 71 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1ri0 h GLU 71 Cb 0.39 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1ri0 h GLU 71 CO 0.00 0.87 -0.12 0.36 -1.18 0.00 0.00 179.01 178.94 1ri0 n LYS 72 N -4.40 0.07 0.00 1.92 2.85 -0.88 -5.07 118.16 112.65 1ri0 n LYS 72 Ca -0.05 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1ri0 n LYS 72 Cb 0.42 -0.48 0.00 0.00 -0.65 0.00 0.00 35.03 34.31 1ri0 n LYS 72 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ri0 n PHE 73 N -2.80 0.00 -2.07 5.58 3.01 0.93 -5.02 117.46 117.09 1ri0 n PHE 73 Ca -0.02 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.25 1ri0 n PHE 73 Cb 0.06 0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 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 2.10 0.41 2.68 1.37 0.00 0.14 -4.11 105.19 107.78 1ri0 n GLY 74 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.47 0.93 1.03 1.61 -2.85 -1.26 -4.78 119.74 109.94 1ri0 s LYS 75 Ca 0.00 -1.51 -0.16 0.00 -1.00 0.00 0.00 55.97 53.31 1ri0 s LYS 75 Cb 0.00 -2.03 0.21 0.00 -2.06 0.00 0.00 37.83 33.95 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 1.00 0.18 0.32 1.78 0.04 -1.26 -4.95 135.00 132.11 1ri0 s PRO 76 Ca 0.14 -0.06 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 1ri0 s PRO 76 Cb -0.21 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 1ri0 s PRO 76 CO -0.10 -2.78 0.91 0.09 0.04 0.00 0.00 177.00 175.16 1ri0 n ASN 77 N -4.10 0.80 -4.41 6.66 3.02 -1.26 -4.87 115.26 111.10 1ri0 n ASN 77 Ca 0.12 1.12 -0.45 0.00 -0.03 0.00 0.00 54.58 55.34 1ri0 n ASN 77 Cb 0.59 -1.25 -0.02 0.00 -0.61 0.00 0.00 39.78 38.49 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 -1.58 3.59 0.36 3.52 -0.14 -1.26 -4.87 119.74 119.35 1ri0 s LYS 78 Ca 0.60 -1.97 0.06 0.00 -1.36 0.00 0.00 55.97 53.30 1ri0 s LYS 78 Cb -0.69 -4.74 0.06 0.00 -1.68 0.00 0.00 37.83 30.78 1ri0 s LYS 78 CO 0.59 -1.61 0.47 0.54 -0.76 0.00 0.00 175.35 174.58 1ri0 n ARG 79 N 5.73 0.78 -0.08 1.68 5.12 -1.26 -4.97 116.66 123.65 1ri0 n ARG 79 Ca 0.20 -1.95 -0.12 0.00 -1.93 0.00 0.00 57.85 54.05 1ri0 n ARG 79 Cb 0.48 -0.11 -0.05 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 0.51 0.00 5.56 3.64 -2.01 -2.42 116.57 121.86 1ri0 h LYS 80 Ca -0.17 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1ri0 h LYS 80 Cb 0.77 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1ri0 h LYS 80 CO 0.25 0.78 0.00 0.41 -2.27 0.00 0.00 179.45 178.62 1ri0 n GLY 81 N -0.02 -1.17 0.12 5.01 0.00 -1.26 -2.62 105.19 105.25 1ri0 n GLY 81 Ca -0.04 -0.07 -0.21 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 0.55 0.36 1.61 3.04 -1.78 -0.71 116.94 120.01 1ri0 h PHE 82 Ca 0.00 -0.40 -0.02 0.00 3.98 0.00 0.00 57.97 61.53 1ri0 h PHE 82 Cb 0.33 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1ri0 h PHE 82 CO 0.00 1.39 -0.17 1.03 -2.02 0.00 0.00 178.31 178.54 1ri0 h SER 83 N -0.32 -0.41 0.87 0.41 0.87 -1.36 0.93 113.55 114.55 1ri0 h SER 83 Ca -0.19 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1ri0 h SER 83 Cb 1.71 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1ri0 h SER 83 CO 0.13 0.01 -0.07 1.05 -0.53 0.00 0.00 176.83 177.42 1ri0 h GLU 84 N -0.92 0.00 0.20 2.24 4.11 -1.68 -2.24 114.58 116.29 1ri0 h GLU 84 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1ri0 h GLU 84 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ri0 h GLU 84 CO 0.08 0.07 -0.09 0.78 0.07 0.00 0.00 179.01 179.91 1ri0 h GLY 85 N 1.82 -0.28 1.55 1.06 0.00 -1.04 0.30 103.07 106.49 1ri0 h GLY 85 Ca -0.00 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.49 1ri0 h GLY 85 CO 0.01 -0.10 0.17 -2.00 0.00 0.00 0.00 176.54 174.62 1ri0 h LEU 86 N -1.03 0.00 0.00 3.11 7.12 -0.80 0.70 115.31 124.41 1ri0 h LEU 86 Ca -0.03 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.89 1ri0 h LEU 86 Cb 0.34 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1ri0 h LEU 86 CO 0.04 0.00 -0.95 -0.25 -0.13 0.00 0.00 178.44 177.15 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.43 -1.61 115.95 117.07 1ri0 h TRP 87 Ca 0.09 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 1ri0 h TRP 87 Cb 0.43 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.08 1ri0 h TRP 87 CO 0.00 0.34 -0.13 0.93 -1.03 0.00 0.00 178.44 178.55 1ri0 h GLU 88 N 0.00 0.00 0.00 2.65 4.39 0.43 1.13 114.58 123.18 1ri0 h GLU 88 Ca -0.07 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.22 1ri0 h GLU 88 Cb 1.32 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.90 1ri0 h GLU 88 CO 0.03 0.13 -2.48 1.51 -1.16 0.00 0.00 179.01 177.05 1ri0 n ILE 89 N -3.30 1.47 0.13 3.13 0.00 -0.63 -3.39 119.36 116.77 1ri0 n ILE 89 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 62.75 62.25 1ri0 n ILE 89 Cb 0.36 -1.61 0.16 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 -0.43 0.04 -2.06 9.51 4.39 -1.30 -3.34 114.58 121.39 1ri0 h GLU 90 Ca -0.62 -0.03 -0.57 0.00 0.34 0.00 0.00 59.36 58.48 1ri0 h GLU 90 Cb 1.76 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 30.01 1ri0 h GLU 90 CO -0.23 0.65 -0.95 0.09 -1.16 0.00 0.00 179.01 177.40 1ri0 n ASN 91 N -3.81 1.28 -4.77 1.42 3.02 0.39 -5.03 115.26 107.76 1ri0 n ASN 91 Ca -0.01 -2.92 -0.36 0.00 -0.03 0.00 0.00 54.58 51.26 1ri0 n ASN 91 Cb 0.62 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.58 5.65 0.21 6.41 2.20 -1.22 -4.38 114.94 122.23 1ri0 s ASN 92 Ca 0.37 2.27 0.07 0.00 -0.94 0.00 0.00 52.86 54.62 1ri0 s ASN 92 Cb 0.16 -2.59 0.13 0.00 -2.00 0.00 0.00 41.25 36.96 1ri0 s ASN 92 CO -0.08 -1.27 1.48 1.55 -2.94 0.00 0.00 177.10 175.84 1ri0 h PRO 93 N 1.27 0.07 -1.46 3.55 0.13 -1.91 -3.39 132.00 130.26 1ri0 h PRO 93 Ca -0.50 -0.07 -0.38 0.00 -0.87 0.00 0.00 66.00 64.18 1ri0 h PRO 93 Cb 1.27 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 1ri0 h PRO 93 CO 0.57 0.80 -0.76 -2.37 -0.23 0.00 0.00 178.00 176.01 1ri0 n THR 94 N -3.68 -0.53 -1.39 1.56 5.66 -1.26 -5.09 114.28 109.55 1ri0 n THR 94 Ca -0.02 -2.41 -0.51 0.00 -3.05 0.00 0.00 64.05 58.06 1ri0 n THR 94 Cb 0.73 -0.31 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 1ri0 n THR 94 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1ri0 n VAL 95 N 2.43 0.06 0.07 1.08 3.14 -1.26 -4.75 118.33 119.09 1ri0 n VAL 95 Ca 0.21 -0.14 -0.12 0.00 -2.96 0.00 0.00 64.34 61.33 1ri0 n VAL 95 Cb 0.54 -1.04 -0.13 0.00 -1.06 0.00 0.00 33.84 32.15 1ri0 n VAL 95 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1ri0 h LYS 96 N 11.49 0.14 -3.48 1.45 2.10 -1.98 -3.47 116.57 122.82 1ri0 h LYS 96 Ca -0.16 -0.23 -0.13 0.00 -2.00 0.00 0.00 60.65 58.13 1ri0 h LYS 96 Cb 1.35 0.09 -0.19 0.00 -0.90 0.00 0.00 32.23 32.58 1ri0 h LYS 96 CO 1.13 1.05 -0.44 0.00 -2.00 0.00 0.00 179.45 179.20 1ri0 s ALA 97 N -2.67 -0.38 0.00 0.07 0.00 -1.26 -5.12 121.76 112.40 1ri0 s ALA 97 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1ri0 s ALA 97 Cb 0.08 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1ri0 s ALA 97 CO 0.85 -0.26 0.00 0.45 0.00 0.00 0.00 175.76 176.80 1ri0 n SER 98 N 1.18 0.00 0.00 0.00 2.88 -1.26 -5.10 113.62 111.33 1ri0 n SER 98 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1ri0 n SER 98 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ri0 n GLY 99 N -1.18 3.53 0.00 0.46 0.00 -1.26 -5.00 105.19 101.74 1ri0 n GLY 99 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30