#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 -0.20 0.79 6.12 0.01 -1.26 -5.15 113.70 114.01 1ri0 s SER 2 Ca 0.00 -0.71 -0.15 0.00 1.31 0.00 0.00 55.95 56.40 1ri0 s SER 2 Cb 0.00 0.71 -0.01 0.00 0.21 0.00 0.00 66.02 66.92 1ri0 s SER 2 CO 0.00 -1.33 0.51 -2.11 0.41 0.00 0.00 173.24 170.72 1ri0 n ARG 3 N -0.45 0.14 -4.30 12.44 0.00 -1.26 -4.98 116.66 118.25 1ri0 n ARG 3 Ca -0.04 0.09 -0.35 0.00 -0.00 0.00 0.00 57.85 57.56 1ri0 n ARG 3 Cb 0.60 -1.85 -0.10 0.00 -0.00 0.00 0.00 32.46 31.10 1ri0 n ARG 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ri0 s SER 4 N -1.64 5.29 0.03 2.89 1.04 -1.26 -5.11 113.70 114.94 1ri0 s SER 4 Ca 0.63 0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1ri0 s SER 4 Cb -0.31 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1ri0 s SER 4 CO 0.61 0.32 0.00 -0.46 0.98 0.00 0.00 173.24 174.69 1ri0 n ASN 5 N 2.51 1.92 -4.79 7.02 0.23 -1.26 -5.13 115.26 115.76 1ri0 n ASN 5 Ca -0.18 -1.11 -0.32 0.00 -0.53 0.00 0.00 54.58 52.44 1ri0 n ASN 5 Cb 0.53 0.02 0.04 0.00 -2.08 0.00 0.00 39.78 38.29 1ri0 n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ri0 s ARG 6 N -2.10 2.89 0.00 -3.83 1.70 -1.26 -5.05 118.95 111.30 1ri0 s ARG 6 Ca 0.00 1.19 0.00 0.00 -0.47 0.00 0.00 55.73 56.45 1ri0 s ARG 6 Cb -0.00 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 1ri0 s ARG 6 CO 0.00 -1.16 0.00 0.00 -1.08 0.00 0.00 175.30 173.07 1ri0 n GLN 7 N -2.67 0.00 -0.03 3.89 0.00 -1.26 -4.53 117.38 112.79 1ri0 n GLN 7 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 57.00 57.10 1ri0 n GLN 7 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.79 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 1.13 -1.67 2.61 0.00 -1.26 -4.88 118.16 114.09 1ri0 n LYS 8 Ca 0.00 -0.16 -0.45 0.00 -0.00 0.00 0.00 58.31 57.70 1ri0 n LYS 8 Cb 0.00 -1.14 -0.03 0.00 -0.00 0.00 0.00 35.03 33.86 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 -0.29 2.02 -3.67 -1.58 4.71 -1.26 -4.98 120.64 115.59 1ri0 n GLU 9 Ca 0.01 0.72 -0.13 0.00 -0.01 0.00 0.00 57.16 57.76 1ri0 n GLU 9 Cb 0.09 -2.39 -0.13 0.00 -1.01 0.00 0.00 31.44 28.00 1ri0 n GLU 9 CO 0.00 0.00 0.00 1.52 0.09 0.00 0.00 177.13 178.74 1ri0 s TYR 10 N 0.09 -0.46 0.36 -0.32 1.13 -1.26 -4.98 117.35 111.91 1ri0 s TYR 10 Ca 0.70 1.03 0.04 0.00 -1.41 0.00 0.00 57.07 57.43 1ri0 s TYR 10 Cb -0.66 0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.17 1ri0 s TYR 10 CO 0.48 -0.36 0.08 0.15 -2.51 0.00 0.00 175.55 173.39 1ri0 s LYS 11 N 2.34 1.78 0.30 -3.49 1.02 -1.26 -5.03 119.74 115.39 1ri0 s LYS 11 Ca -0.00 -2.03 -0.27 0.00 0.02 0.00 0.00 55.97 53.69 1ri0 s LYS 11 Cb -0.12 -0.78 -0.14 0.00 -0.52 0.00 0.00 37.83 36.27 1ri0 s LYS 11 CO -0.09 -0.31 0.80 0.00 -0.92 0.00 0.00 175.35 174.83 1ri0 n GLY 13 N 1.52 1.25 3.81 0.00 0.00 -1.25 -5.00 105.19 105.52 1ri0 n GLY 13 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.14 7.09 -0.08 1.61 -1.08 0.73 -2.99 116.67 118.82 1ri0 s ASP 14 Ca 0.00 1.33 -0.04 0.00 -0.52 0.00 0.00 52.55 53.32 1ri0 s ASP 14 Cb 0.00 -2.38 -0.04 0.00 -1.46 0.00 0.00 42.92 39.04 1ri0 s ASP 14 CO 0.00 0.21 0.08 -0.22 0.52 0.00 0.00 175.17 175.77 1ri0 s LEU 15 N -1.33 4.01 0.36 -1.34 1.98 -1.26 -0.64 118.68 120.46 1ri0 s LEU 15 Ca 0.33 0.28 -0.11 0.00 -2.89 0.00 0.00 54.13 51.74 1ri0 s LEU 15 Cb -0.19 -2.06 0.03 0.00 0.66 0.00 0.00 46.19 44.63 1ri0 s LEU 15 CO 0.21 0.36 0.66 0.68 -1.89 0.00 0.00 176.35 176.37 1ri0 s VAL 16 N -1.03 0.00 -0.33 1.68 -7.23 -0.87 -4.96 120.40 107.66 1ri0 s VAL 16 Ca 0.17 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 58.91 1ri0 s VAL 16 Cb -0.12 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1ri0 s VAL 16 CO 0.06 0.00 0.58 -0.36 -0.31 0.00 0.00 175.10 175.07 1ri0 s PHE 17 N -2.67 3.19 -0.13 2.82 0.08 -0.92 -1.77 117.98 118.58 1ri0 s PHE 17 Ca 0.21 0.38 -0.01 0.00 0.12 0.00 0.00 56.93 57.64 1ri0 s PHE 17 Cb -0.03 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1ri0 s PHE 17 CO 0.15 -0.52 -0.10 0.00 -0.10 0.00 0.00 175.22 174.65 1ri0 s ALA 18 N 2.53 2.76 0.21 5.36 0.00 0.14 -0.33 121.76 132.42 1ri0 s ALA 18 Ca 0.22 -0.87 0.11 0.00 0.00 0.00 0.00 51.96 51.42 1ri0 s ALA 18 Cb -0.15 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1ri0 s ALA 18 CO 0.13 0.28 -0.23 -1.59 0.00 0.00 0.00 175.76 174.35 1ri0 s LYS 19 N 0.21 1.54 0.20 0.00 -2.85 -0.60 -0.07 119.74 118.17 1ri0 s LYS 19 Ca -0.06 -1.57 0.03 0.00 -1.00 0.00 0.00 55.97 53.37 1ri0 s LYS 19 Cb -0.15 -1.81 -0.05 0.00 -2.06 0.00 0.00 37.83 33.77 1ri0 s LYS 19 CO 0.04 0.38 -0.01 1.41 0.10 0.00 0.00 175.35 177.27 1ri0 s MET 20 N -2.84 1.22 -0.08 1.78 1.75 -1.00 -4.82 119.30 115.31 1ri0 s MET 20 Ca 0.22 -1.60 -0.32 0.00 -1.25 0.00 0.00 55.69 52.75 1ri0 s MET 20 Cb -0.07 -0.49 -0.10 0.00 2.84 0.00 0.00 34.83 37.01 1ri0 s MET 20 CO 0.11 -0.09 1.98 1.17 -0.65 0.00 0.00 175.02 177.53 1ri0 n LYS 21 N -0.33 2.32 0.00 4.11 3.00 -1.26 0.37 118.16 126.38 1ri0 n LYS 21 Ca -0.06 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1ri0 n LYS 21 Cb 0.63 -2.83 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 4.75 3.03 3.69 3.14 0.00 -1.26 -5.00 105.19 113.55 1ri0 n GLY 22 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1ri0 n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ri0 s TYR 23 N -1.72 3.31 0.58 1.61 5.04 0.16 -5.09 117.35 121.24 1ri0 s TYR 23 Ca 0.00 0.19 -0.16 0.00 -2.44 0.00 0.00 57.07 54.66 1ri0 s TYR 23 Cb 0.00 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.23 1ri0 s TYR 23 CO 0.00 0.29 1.05 -1.25 -1.34 0.00 0.00 175.55 174.30 1ri0 s PRO 24 N 0.03 3.41 -0.45 4.97 0.04 -1.26 -2.38 135.00 139.36 1ri0 s PRO 24 Ca 0.06 1.17 -0.42 0.00 0.04 0.00 0.00 61.00 61.85 1ri0 s PRO 24 Cb -0.12 -2.05 -0.17 0.00 0.04 0.00 0.00 34.50 32.20 1ri0 s PRO 24 CO 0.01 -0.73 2.07 0.72 0.04 0.00 0.00 177.00 179.10 1ri0 n HIS 25 N -1.95 1.38 -4.29 0.56 8.25 -1.26 -4.60 115.22 113.30 1ri0 n HIS 25 Ca 0.08 0.69 -0.27 0.00 -0.26 0.00 0.00 57.72 57.96 1ri0 n HIS 25 Cb 0.53 -2.35 -0.10 0.00 1.12 0.00 0.00 29.99 29.20 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 5.81 2.62 -0.58 4.41 -0.00 0.90 -4.63 118.94 127.46 1ri0 s TRP 26 Ca 1.15 -0.23 -0.27 0.00 -0.00 0.00 0.00 56.10 56.75 1ri0 s TRP 26 Cb -1.33 -1.30 0.01 0.00 -0.00 0.00 0.00 33.47 30.85 1ri0 s TRP 26 CO 0.64 0.49 1.51 -1.25 -0.00 0.00 0.00 176.95 178.34 1ri0 s PRO 27 N -2.70 3.15 0.10 5.86 0.04 -1.26 0.26 135.00 140.45 1ri0 s PRO 27 Ca 0.24 0.45 0.09 0.00 0.04 0.00 0.00 61.00 61.81 1ri0 s PRO 27 Cb -0.09 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1ri0 s PRO 27 CO 0.14 -2.13 -0.22 0.00 0.04 0.00 0.00 177.00 174.83 1ri0 s ALA 28 N 6.69 1.92 0.39 8.56 0.00 -0.73 -2.10 121.76 136.50 1ri0 s ALA 28 Ca 0.55 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1ri0 s ALA 28 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1ri0 s ALA 28 CO 0.23 0.40 0.61 0.50 0.00 0.00 0.00 175.76 177.51 1ri0 s ARG 29 N -1.90 3.45 0.23 0.00 3.52 0.17 -2.05 118.95 122.37 1ri0 s ARG 29 Ca 0.08 -0.23 -0.18 0.00 -0.13 0.00 0.00 55.73 55.27 1ri0 s ARG 29 Cb -0.10 -2.59 -0.08 0.00 -1.56 0.00 0.00 34.95 30.62 1ri0 s ARG 29 CO 0.04 0.02 0.69 -1.50 -0.81 0.00 0.00 175.30 173.75 1ri0 s ILE 30 N -2.44 4.65 -0.02 4.11 -1.16 0.19 -0.41 121.20 126.12 1ri0 s ILE 30 Ca 0.43 1.12 -0.25 0.00 -0.51 0.00 0.00 60.65 61.44 1ri0 s ILE 30 Cb -0.10 -3.79 0.05 0.00 0.61 0.00 0.00 42.46 39.24 1ri0 s ILE 30 CO 0.38 0.14 0.55 -1.81 -2.81 0.00 0.00 174.94 171.39 1ri0 s ASP 31 N -1.79 -0.49 0.11 4.50 1.11 0.59 -3.84 116.67 116.87 1ri0 s ASP 31 Ca 0.44 0.42 -0.16 0.00 0.18 0.00 0.00 52.55 53.44 1ri0 s ASP 31 Cb -0.15 0.47 -0.07 0.00 1.07 0.00 0.00 42.92 44.24 1ri0 s ASP 31 CO 0.20 -0.60 0.55 -0.70 1.18 0.00 0.00 175.17 175.80 1ri0 s GLU 32 N -1.55 4.04 0.40 8.23 2.12 -1.26 -0.85 118.70 129.83 1ri0 s GLU 32 Ca -0.10 0.56 -0.24 0.00 0.36 0.00 0.00 54.97 55.54 1ri0 s GLU 32 Cb -0.01 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 1ri0 s GLU 32 CO 0.06 0.54 1.10 0.00 -0.54 0.00 0.00 175.26 176.41 1ri0 s MET 33 N -1.65 4.11 0.80 4.30 0.23 -1.26 -4.68 119.30 121.15 1ri0 s MET 33 Ca 0.34 1.65 -0.12 0.00 -1.03 0.00 0.00 55.69 56.53 1ri0 s MET 33 Cb -0.16 -2.59 0.07 0.00 -1.53 0.00 0.00 34.83 30.62 1ri0 s MET 33 CO 0.19 -0.22 1.10 -1.25 -2.03 0.00 0.00 175.02 172.80 1ri0 s PRO 34 N -2.41 2.03 -0.01 3.16 0.04 -1.26 -5.00 135.00 131.55 1ri0 s PRO 34 Ca 0.58 0.61 0.17 0.00 0.04 0.00 0.00 61.00 62.40 1ri0 s PRO 34 Cb -0.26 -1.91 0.29 0.00 0.04 0.00 0.00 34.50 32.66 1ri0 s PRO 34 CO 0.32 -1.65 1.12 -0.85 0.04 0.00 0.00 177.00 175.97 1ri0 n GLU 35 N -3.45 0.07 -0.02 4.56 0.28 -1.25 -4.51 120.64 116.31 1ri0 n GLU 35 Ca 0.07 -1.72 -0.04 0.00 -0.16 0.00 0.00 57.16 55.31 1ri0 n GLU 35 Cb 0.56 -0.23 -0.01 0.00 1.43 0.00 0.00 31.44 33.19 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 0.26 2.61 -0.03 -1.84 0.00 -1.26 -4.78 120.51 115.47 1ri0 n ALA 36 Ca 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1ri0 n ALA 36 Cb 0.98 0.44 -0.11 0.00 0.00 0.00 0.00 19.45 20.77 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 -0.12 0.06 -2.86 0.00 0.00 -2.02 -3.47 119.26 110.84 1ri0 h ALA 37 Ca -0.10 -0.41 -0.36 0.00 0.00 0.00 0.00 54.91 54.04 1ri0 h ALA 37 Cb 1.09 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 1ri0 h ALA 37 CO -0.05 0.04 -0.40 0.14 0.00 0.00 0.00 179.25 178.98 1ri0 s VAL 38 N -3.44 0.00 0.20 0.00 -7.23 -1.26 -5.17 120.40 103.50 1ri0 s VAL 38 Ca -0.16 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1ri0 s VAL 38 Cb 0.02 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1ri0 s VAL 38 CO 0.73 0.00 0.16 -0.54 -0.31 0.00 0.00 175.10 175.14 1ri0 s LYS 39 N -3.44 2.88 0.47 4.82 1.02 -1.26 -3.85 119.74 120.38 1ri0 s LYS 39 Ca 0.36 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1ri0 s LYS 39 Cb 0.02 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1ri0 s LYS 39 CO 0.22 0.44 0.70 -1.54 -0.92 0.00 0.00 175.35 174.25 1ri0 s SER 40 N -3.43 5.74 0.10 2.83 1.04 -1.26 -5.06 113.70 113.66 1ri0 s SER 40 Ca 0.32 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1ri0 s SER 40 Cb -0.09 -1.44 -0.00 0.00 0.10 0.00 0.00 66.02 64.59 1ri0 s SER 40 CO 0.24 -0.78 0.00 0.35 0.98 0.00 0.00 173.24 174.02 1ri0 n THR 41 N -2.14 0.00 -1.93 2.02 -2.24 -1.26 -5.09 114.28 103.64 1ri0 n THR 41 Ca 0.03 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1ri0 n THR 41 Cb 0.58 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 1ri0 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ri0 s ALA 42 N -2.17 3.70 -0.35 6.98 0.00 -1.26 -3.69 121.76 124.96 1ri0 s ALA 42 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1ri0 s ALA 42 Cb 0.00 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 19.57 1ri0 s ALA 42 CO 0.00 -0.82 0.51 0.27 0.00 0.00 0.00 175.76 175.73 1ri0 n ASN 43 N 2.64 -5.78 -3.73 0.00 6.94 -1.26 -4.98 115.26 109.10 1ri0 n ASN 43 Ca 0.09 -0.02 -0.13 0.00 -0.02 0.00 0.00 54.58 54.50 1ri0 n ASN 43 Cb 0.39 -1.69 -0.14 0.00 -2.36 0.00 0.00 39.78 35.98 1ri0 n ASN 43 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1ri0 s LYS 44 N -2.12 0.13 0.06 -3.83 2.20 -1.24 -4.84 119.74 110.10 1ri0 s LYS 44 Ca 0.30 0.48 0.03 0.00 -0.36 0.00 0.00 55.97 56.42 1ri0 s LYS 44 Cb -0.03 -0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.10 1ri0 s LYS 44 CO 0.68 -0.19 -0.09 0.71 -0.36 0.00 0.00 175.35 176.10 1ri0 s TYR 45 N 1.42 0.86 0.06 4.03 1.51 -0.31 -4.82 117.35 120.10 1ri0 s TYR 45 Ca -0.07 -0.58 -0.16 0.00 -1.01 0.00 0.00 57.07 55.25 1ri0 s TYR 45 Cb -0.11 -0.50 -0.06 0.00 -0.11 0.00 0.00 41.96 41.18 1ri0 s TYR 45 CO -0.07 -0.05 0.49 -1.14 -1.11 0.00 0.00 175.55 173.67 1ri0 s GLN 46 N -2.14 4.01 0.02 -0.62 0.74 -0.03 -0.91 119.66 120.74 1ri0 s GLN 46 Ca -0.03 0.52 0.02 0.00 0.05 0.00 0.00 55.36 55.92 1ri0 s GLN 46 Cb -0.07 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.89 1ri0 s GLN 46 CO -0.00 0.62 -0.07 0.08 -0.55 0.00 0.00 175.29 175.37 1ri0 s VAL 47 N -1.20 0.47 -0.30 1.34 1.01 -0.53 -0.30 120.40 120.89 1ri0 s VAL 47 Ca 0.29 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1ri0 s VAL 47 Cb -0.17 -0.49 0.07 0.00 0.00 0.00 0.00 36.38 35.79 1ri0 s VAL 47 CO 0.17 -0.19 -0.03 0.12 0.00 0.00 0.00 175.10 175.17 1ri0 s PHE 48 N -0.88 3.39 -0.02 5.22 2.19 0.45 -0.51 117.98 127.81 1ri0 s PHE 48 Ca -0.05 -2.35 -0.30 0.00 0.33 0.00 0.00 56.93 54.55 1ri0 s PHE 48 Cb -0.07 -2.26 -0.03 0.00 -1.31 0.00 0.00 43.02 39.35 1ri0 s PHE 48 CO 0.00 -0.88 1.09 -0.06 1.83 0.00 0.00 175.22 177.20 1ri0 s PHE 49 N 1.10 3.47 -0.12 10.12 0.40 0.13 0.44 117.98 133.53 1ri0 s PHE 49 Ca -0.03 1.48 -0.09 0.00 -0.60 0.00 0.00 56.93 57.69 1ri0 s PHE 49 Cb -0.20 -3.27 -0.07 0.00 0.51 0.00 0.00 43.02 39.99 1ri0 s PHE 49 CO -0.05 -0.64 0.18 0.74 0.70 0.00 0.00 175.22 176.16 1ri0 h PHE 50 N 7.01 0.00 -0.97 0.36 0.04 -1.71 0.57 116.94 122.23 1ri0 h PHE 50 Ca -0.37 0.00 0.23 0.00 2.80 0.00 0.00 57.97 60.62 1ri0 h PHE 50 Cb 1.19 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.16 1ri0 h PHE 50 CO 0.70 0.30 -0.13 0.41 -0.60 0.00 0.00 178.31 178.99 1ri0 n GLY 51 N 1.71 -1.50 0.08 -1.45 0.00 -1.26 -0.02 105.19 102.76 1ri0 n GLY 51 Ca -0.04 1.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.89 1ri0 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ri0 n THR 52 N -5.53 1.59 -2.72 2.61 -2.24 -1.26 -4.77 114.28 101.97 1ri0 n THR 52 Ca 0.19 -0.80 -0.07 0.00 -2.27 0.00 0.00 64.05 61.10 1ri0 n THR 52 Cb 0.60 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 67.85 1ri0 n THR 52 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ri0 n HIS 53 N -3.03 -0.74 -4.18 4.78 -0.00 0.18 -5.05 115.22 107.19 1ri0 n HIS 53 Ca -0.19 0.25 -0.18 0.00 0.46 0.00 0.00 57.72 58.06 1ri0 n HIS 53 Cb 1.06 -2.09 -0.12 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 -5.23 0.78 -0.38 1.57 2.02 -0.28 -4.94 118.70 112.25 1ri0 s GLU 54 Ca 0.14 -0.88 -0.18 0.00 0.02 0.00 0.00 54.97 54.07 1ri0 s GLU 54 Cb -0.06 -0.75 0.01 0.00 0.10 0.00 0.00 34.13 33.43 1ri0 s GLU 54 CO 0.18 0.17 0.50 0.99 0.02 0.00 0.00 175.26 177.12 1ri0 s THR 55 N -1.21 5.01 0.08 3.63 2.01 -1.26 0.18 115.64 124.09 1ri0 s THR 55 Ca -0.03 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.14 1ri0 s THR 55 Cb -0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1ri0 s THR 55 CO 0.02 -0.33 -0.19 0.00 -0.69 0.00 0.00 174.62 173.43 1ri0 s ALA 56 N 2.37 2.60 -0.20 7.40 0.00 0.33 -4.95 121.76 129.31 1ri0 s ALA 56 Ca 0.17 -1.29 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 1ri0 s ALA 56 Cb -0.16 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1ri0 s ALA 56 CO 0.14 0.58 0.84 -0.59 0.00 0.00 0.00 175.76 176.73 1ri0 s PHE 57 N -1.03 3.37 0.27 0.00 -0.12 -1.26 -1.45 117.98 117.76 1ri0 s PHE 57 Ca 0.16 1.21 0.02 0.00 -0.05 0.00 0.00 56.93 58.27 1ri0 s PHE 57 Cb -0.10 -3.04 -0.03 0.00 -0.63 0.00 0.00 43.02 39.22 1ri0 s PHE 57 CO 0.07 -0.32 0.23 -0.51 -0.05 0.00 0.00 175.22 174.65 1ri0 s LEU 58 N 2.48 1.39 0.00 -1.99 1.43 -0.09 -4.96 118.68 116.95 1ri0 s LEU 58 Ca 0.37 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 1ri0 s LEU 58 Cb -0.16 0.58 0.00 0.00 0.03 0.00 0.00 46.19 46.64 1ri0 s LEU 58 CO 0.10 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1ri0 n GLY 59 N -0.45 6.65 0.19 -3.19 0.00 -1.26 -1.16 105.19 105.96 1ri0 n GLY 59 Ca 0.04 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 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 0.65 -0.61 1.61 0.13 -1.93 -2.89 132.00 128.96 1ri0 h PRO 60 Ca 0.00 -0.64 -0.02 0.00 -0.87 0.00 0.00 66.00 64.47 1ri0 h PRO 60 Cb 0.00 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.27 1ri0 h PRO 60 CO 0.00 1.24 0.30 -0.22 -0.23 0.00 0.00 178.00 179.08 1ri0 h LYS 61 N 0.39 0.88 0.00 0.86 3.64 -2.01 -0.74 116.57 119.60 1ri0 h LYS 61 Ca -0.09 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1ri0 h LYS 61 Cb 1.57 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1ri0 h LYS 61 CO 0.18 0.71 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.55 1ri0 h ASP 62 N 0.84 0.00 -2.90 4.20 3.32 -1.87 -3.41 116.42 116.59 1ri0 h ASP 62 Ca 0.21 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.64 1ri0 h ASP 62 Cb 0.12 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1ri0 h ASP 62 CO -0.03 0.08 -0.41 -0.22 -1.72 0.00 0.00 179.24 176.94 1ri0 s LEU 63 N -7.24 4.36 -0.01 1.55 2.96 -0.28 -1.55 118.68 118.47 1ri0 s LEU 63 Ca -0.03 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1ri0 s LEU 63 Cb 0.13 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 44.11 1ri0 s LEU 63 CO 0.56 0.24 -0.02 0.12 -1.32 0.00 0.00 176.35 175.93 1ri0 s PHE 64 N -1.34 0.24 0.99 5.38 5.36 0.55 -4.85 117.98 124.32 1ri0 s PHE 64 Ca 0.29 -0.04 -0.15 0.00 -0.96 0.00 0.00 56.93 56.07 1ri0 s PHE 64 Cb -0.13 -0.18 0.19 0.00 -0.34 0.00 0.00 43.02 42.56 1ri0 s PHE 64 CO 0.18 -0.02 1.18 -1.25 -1.46 0.00 0.00 175.22 173.85 1ri0 s PRO 65 N 0.06 0.45 0.09 10.12 0.04 -1.26 -2.17 135.00 142.34 1ri0 s PRO 65 Ca -0.00 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.10 1ri0 s PRO 65 Cb -0.02 -1.78 -0.23 0.00 0.04 0.00 0.00 34.50 32.50 1ri0 s PRO 65 CO -0.00 -2.61 1.18 -0.92 0.04 0.00 0.00 177.00 174.69 1ri0 h TYR 66 N -1.79 0.14 -0.18 0.56 3.20 -1.97 -0.47 116.97 116.46 1ri0 h TYR 66 Ca -0.47 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.18 1ri0 h TYR 66 Cb 1.30 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1ri0 h TYR 66 CO -0.67 1.08 -0.33 1.49 -1.64 0.00 0.00 178.16 178.10 1ri0 h GLU 67 N 0.02 0.54 -0.00 1.82 4.81 -1.96 -0.77 114.58 119.03 1ri0 h GLU 67 Ca -0.07 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 1ri0 h GLU 67 Cb 1.85 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1ri0 h GLU 67 CO 0.15 0.95 -0.18 1.49 -0.73 0.00 0.00 179.01 180.68 1ri0 h GLU 68 N 0.19 0.13 -0.46 1.92 4.81 -1.96 -1.43 114.58 117.79 1ri0 h GLU 68 Ca 0.01 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1ri0 h GLU 68 Cb 0.92 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1ri0 h GLU 68 CO 0.07 0.88 0.14 0.66 -0.73 0.00 0.00 179.01 180.03 1ri0 h SER 69 N -0.56 0.11 0.79 1.04 4.64 -1.16 0.18 113.55 118.59 1ri0 h SER 69 Ca -0.02 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1ri0 h SER 69 Cb 0.94 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1ri0 h SER 69 CO 0.04 0.10 -0.19 0.07 -0.87 0.00 0.00 176.83 175.98 1ri0 h LYS 70 N 0.30 0.00 -0.62 4.77 5.09 -1.21 1.55 116.57 126.45 1ri0 h LYS 70 Ca 0.22 0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.97 1ri0 h LYS 70 Cb 0.24 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.54 1ri0 h LYS 70 CO -0.25 0.19 0.40 1.49 -2.09 0.00 0.00 179.45 179.19 1ri0 h GLU 71 N 0.00 0.79 0.00 0.07 4.81 0.49 -3.36 114.58 117.38 1ri0 h GLU 71 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ri0 h GLU 71 Cb 0.63 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1ri0 h GLU 71 CO 0.02 0.52 -0.15 1.17 -0.73 0.00 0.00 179.01 179.85 1ri0 n LYS 72 N -4.67 0.10 0.04 1.92 4.81 -0.92 -5.02 118.16 114.42 1ri0 n LYS 72 Ca 0.05 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1ri0 n LYS 72 Cb 0.03 -0.86 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1ri0 n LYS 72 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ri0 n PHE 73 N -2.83 -0.59 -0.84 5.64 3.01 0.46 -5.01 117.46 117.31 1ri0 n PHE 73 Ca -0.02 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1ri0 n PHE 73 Cb 0.08 0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 2.24 0.63 2.79 1.37 0.00 0.50 -4.43 105.19 108.29 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 0.54 0.00 0.00 0.00 173.32 173.86 1ri0 s LYS 75 N -0.37 1.16 1.00 1.61 1.02 -1.26 -4.83 119.74 118.07 1ri0 s LYS 75 Ca 0.00 -1.68 -0.15 0.00 0.02 0.00 0.00 55.97 54.15 1ri0 s LYS 75 Cb 0.00 -2.43 0.20 0.00 -0.52 0.00 0.00 37.83 35.08 1ri0 s LYS 75 CO 0.00 -1.06 1.18 -1.25 -0.92 0.00 0.00 175.35 173.31 1ri0 s PRO 76 N 0.87 0.36 0.16 -1.68 0.04 -1.26 -4.93 135.00 128.55 1ri0 s PRO 76 Ca 0.14 -0.01 -0.34 0.00 0.04 0.00 0.00 61.00 60.82 1ri0 s PRO 76 Cb -0.21 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.40 1ri0 s PRO 76 CO -0.10 -2.67 1.27 0.09 0.04 0.00 0.00 177.00 175.62 1ri0 n ASN 77 N -4.03 1.70 -4.52 6.66 3.02 -1.26 -4.83 115.26 112.00 1ri0 n ASN 77 Ca 0.11 1.13 -0.43 0.00 -0.03 0.00 0.00 54.58 55.36 1ri0 n ASN 77 Cb 0.59 -1.25 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 1ri0 n ASN 77 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ri0 s LYS 78 N -0.07 3.84 0.30 3.52 2.47 -1.26 -4.83 119.74 123.70 1ri0 s LYS 78 Ca 0.76 -1.88 0.02 0.00 -1.56 0.00 0.00 55.97 53.32 1ri0 s LYS 78 Cb -0.84 -5.25 0.05 0.00 -1.46 0.00 0.00 37.83 30.33 1ri0 s LYS 78 CO 0.49 -2.03 0.41 0.54 0.16 0.00 0.00 175.35 174.92 1ri0 n ARG 79 N 7.48 0.58 0.01 4.03 5.12 -1.26 -4.94 116.66 127.67 1ri0 n ARG 79 Ca 0.37 -1.35 -0.13 0.00 -1.93 0.00 0.00 57.85 54.81 1ri0 n ARG 79 Cb 0.47 -0.20 -0.09 0.00 -1.16 0.00 0.00 32.46 31.48 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 -0.05 0.00 5.56 3.64 -2.01 -2.54 116.57 121.17 1ri0 h LYS 80 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ri0 h LYS 80 Cb 0.57 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1ri0 h LYS 80 CO 0.17 0.38 0.00 0.41 -2.27 0.00 0.00 179.45 178.14 1ri0 n GLY 81 N 0.08 -0.91 0.11 5.01 0.00 -1.26 -2.65 105.19 105.57 1ri0 n GLY 81 Ca -0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 0.34 0.30 1.61 3.04 -1.80 -0.58 116.94 119.85 1ri0 h PHE 82 Ca 0.00 -0.25 -0.01 0.00 3.98 0.00 0.00 57.97 61.69 1ri0 h PHE 82 Cb 0.20 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1ri0 h PHE 82 CO 0.00 1.34 -0.14 1.03 -2.02 0.00 0.00 178.31 178.52 1ri0 h SER 83 N -0.55 -0.34 0.29 0.41 0.87 -1.29 0.12 113.55 113.06 1ri0 h SER 83 Ca -0.19 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.09 1ri0 h SER 83 Cb 1.51 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 1ri0 h SER 83 CO 0.05 0.02 -0.43 1.05 -0.53 0.00 0.00 176.83 177.00 1ri0 h GLU 84 N -0.75 0.18 0.17 2.24 4.11 -1.69 -1.85 114.58 117.00 1ri0 h GLU 84 Ca -0.04 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 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 0.07 0.58 -0.08 0.78 0.07 0.00 0.00 179.01 180.43 1ri0 h GLY 85 N 1.26 -0.24 2.00 1.06 0.00 -1.05 1.26 103.07 107.36 1ri0 h GLY 85 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1ri0 h GLY 85 CO 0.06 -0.09 -0.10 -2.00 0.00 0.00 0.00 176.54 174.42 1ri0 h LEU 86 N -0.54 0.00 0.00 3.11 7.12 -0.72 0.17 115.31 124.45 1ri0 h LEU 86 Ca -0.02 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1ri0 h LEU 86 Cb 0.41 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1ri0 h LEU 86 CO 0.04 0.10 -0.69 -0.25 -0.13 0.00 0.00 178.44 177.51 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.06 -1.56 115.95 117.49 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 0.19 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 1ri0 h TRP 87 CO 0.00 0.07 -0.36 0.93 -1.03 0.00 0.00 178.44 178.05 1ri0 h GLU 88 N 0.00 0.00 0.03 2.65 5.08 0.45 1.37 114.58 124.16 1ri0 h GLU 88 Ca -0.01 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.96 1ri0 h GLU 88 Cb 1.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 1ri0 h GLU 88 CO 0.01 0.36 -2.34 1.51 -1.00 0.00 0.00 179.01 177.54 1ri0 n ILE 89 N -3.51 1.56 0.09 3.13 0.00 -0.74 -3.27 119.36 116.62 1ri0 n ILE 89 Ca -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 62.75 62.13 1ri0 n ILE 89 Cb 0.51 -1.56 -0.01 0.00 0.00 0.00 0.00 39.64 38.58 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 -0.12 0.09 -2.19 9.51 5.08 -1.31 -3.36 114.58 122.28 1ri0 h GLU 90 Ca -0.55 -0.11 -0.58 0.00 -1.00 0.00 0.00 59.36 57.12 1ri0 h GLU 90 Cb 1.88 0.03 -0.40 0.00 0.50 0.00 0.00 28.75 30.77 1ri0 h GLU 90 CO -0.09 0.91 -0.92 0.09 -1.00 0.00 0.00 179.01 178.00 1ri0 n ASN 91 N -3.58 1.20 -4.73 1.42 3.02 0.47 -5.03 115.26 108.04 1ri0 n ASN 91 Ca -0.02 -2.87 -0.33 0.00 -0.03 0.00 0.00 54.58 51.33 1ri0 n ASN 91 Cb 0.82 -0.64 0.10 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.34 4.08 -0.07 6.41 4.22 -1.20 -4.29 114.94 122.74 1ri0 s ASN 92 Ca 0.35 2.17 -0.18 0.00 -2.14 0.00 0.00 52.86 53.06 1ri0 s ASN 92 Cb 0.13 -2.57 -0.13 0.00 1.28 0.00 0.00 41.25 39.96 1ri0 s ASN 92 CO -0.10 -2.33 0.67 1.55 -2.04 0.00 0.00 177.10 174.84 1ri0 h PRO 93 N -0.78 -0.18 -0.46 3.55 0.13 -1.91 -3.42 132.00 128.93 1ri0 h PRO 93 Ca -0.46 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 1ri0 h PRO 93 Cb 1.27 0.04 -0.27 0.00 0.13 0.00 0.00 31.00 32.17 1ri0 h PRO 93 CO 0.49 0.22 -0.75 2.41 -0.23 0.00 0.00 178.00 180.13 1ri0 n THR 94 N -4.88 0.49 -3.56 1.56 -1.04 -1.26 -5.11 114.28 100.47 1ri0 n THR 94 Ca -0.06 -2.22 -0.38 0.00 -2.04 0.00 0.00 64.05 59.34 1ri0 n THR 94 Cb 0.24 0.86 -0.06 0.00 -1.82 0.00 0.00 70.33 69.55 1ri0 n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ri0 s VAL 95 N -1.43 5.15 0.00 12.58 1.01 -1.26 -4.96 120.40 131.49 1ri0 s VAL 95 Ca 0.24 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1ri0 s VAL 95 Cb 0.43 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1ri0 s VAL 95 CO -0.03 0.55 0.00 2.29 0.00 0.00 0.00 175.10 177.91 1ri0 n LYS 96 N 2.12 0.00 -2.05 2.72 2.85 -1.26 -4.94 118.16 117.60 1ri0 n LYS 96 Ca -0.14 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.76 1ri0 n LYS 96 Cb 0.53 -0.94 -0.04 0.00 -0.65 0.00 0.00 35.03 33.93 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 -1.97 2.06 0.23 0.58 0.00 -1.26 -4.88 121.76 116.52 1ri0 s ALA 97 Ca 0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 1ri0 s ALA 97 Cb 0.00 -4.37 0.01 0.00 0.00 0.00 0.00 23.12 18.76 1ri0 s ALA 97 CO 0.00 -4.12 0.53 -1.54 0.00 0.00 0.00 175.76 170.63 1ri0 s SER 98 N 8.01 -0.17 -0.03 0.00 1.04 -1.26 -5.11 113.70 116.17 1ri0 s SER 98 Ca 0.67 -0.73 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 1ri0 s SER 98 Cb -0.11 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1ri0 s SER 98 CO 0.15 -1.14 0.51 -0.83 0.98 0.00 0.00 173.24 172.90 1ri0 s GLY 99 N -2.95 -0.38 0.00 7.32 0.00 -1.16 -5.06 107.32 105.08 1ri0 s GLY 99 Ca 0.16 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1ri0 s GLY 99 CO 0.05 0.57 0.00 2.98 0.00 0.00 0.00 173.10 176.70