#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 2.52 0.46 7.83 1.04 -1.26 -5.16 113.70 119.14 1ri0 s SER 2 Ca 0.00 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.16 1ri0 s SER 2 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1ri0 s SER 2 CO 0.00 -0.48 0.68 0.00 0.98 0.00 0.00 173.24 174.42 1ri0 s ARG 3 N -3.81 2.96 -0.43 4.02 1.04 -1.26 -5.04 118.95 116.42 1ri0 s ARG 3 Ca 0.32 -0.57 -0.24 0.00 -1.04 0.00 0.00 55.73 54.20 1ri0 s ARG 3 Cb 0.06 -2.56 0.02 0.00 -2.04 0.00 0.00 34.95 30.44 1ri0 s ARG 3 CO 0.13 -0.34 0.85 0.45 -0.04 0.00 0.00 175.30 176.35 1ri0 s SER 4 N -4.26 6.49 0.26 -2.89 0.15 -1.26 -5.03 113.70 107.17 1ri0 s SER 4 Ca 0.50 0.10 0.11 0.00 0.70 0.00 0.00 55.95 57.36 1ri0 s SER 4 Cb -0.10 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1ri0 s SER 4 CO 0.38 -0.94 -0.13 0.54 1.20 0.00 0.00 173.24 174.29 1ri0 s ASN 5 N 2.12 3.96 1.15 5.45 4.22 -1.26 -4.94 114.94 125.65 1ri0 s ASN 5 Ca 0.34 -0.85 -0.17 0.00 -2.14 0.00 0.00 52.86 50.03 1ri0 s ASN 5 Cb -0.11 -0.52 0.25 0.00 1.28 0.00 0.00 41.25 42.14 1ri0 s ASN 5 CO 0.23 0.03 1.03 -2.11 -2.04 0.00 0.00 177.10 174.25 1ri0 n ARG 6 N -0.63 -2.36 0.00 3.55 1.85 -1.26 -5.07 116.66 112.75 1ri0 n ARG 6 Ca -0.06 -1.63 0.00 0.00 -1.00 0.00 0.00 57.85 55.15 1ri0 n ARG 6 Cb 0.59 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 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 -4.16 0.00 -0.01 2.89 3.00 -1.26 -4.95 117.38 112.88 1ri0 n GLN 7 Ca 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 1ri0 n GLN 7 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.74 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 -1.22 3.44 -3.18 -1.09 -0.00 -1.26 -5.06 118.16 109.78 1ri0 n LYS 8 Ca 0.00 -0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1ri0 n LYS 8 Cb 0.00 -1.07 -0.02 0.00 -0.00 0.00 0.00 35.03 33.94 1ri0 n LYS 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ri0 n GLU 9 N -2.08 1.12 -3.57 -1.58 0.28 -1.26 -5.14 120.64 108.40 1ri0 n GLU 9 Ca -0.04 -2.10 -0.14 0.00 -0.16 0.00 0.00 57.16 54.72 1ri0 n GLU 9 Cb 0.57 0.38 -0.12 0.00 1.43 0.00 0.00 31.44 33.70 1ri0 n GLU 9 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1ri0 s TYR 10 N -1.81 -0.46 0.54 -1.84 1.13 -1.26 -4.72 117.35 108.93 1ri0 s TYR 10 Ca 0.10 0.78 0.06 0.00 -1.41 0.00 0.00 57.07 56.60 1ri0 s TYR 10 Cb -0.01 -0.10 0.06 0.00 -1.10 0.00 0.00 41.96 40.81 1ri0 s TYR 10 CO 0.07 -0.48 0.75 -1.59 -2.51 0.00 0.00 175.55 171.78 1ri0 s LYS 11 N 2.42 2.42 0.54 -3.49 -2.85 -1.26 -4.97 119.74 112.55 1ri0 s LYS 11 Ca 0.04 -1.24 -0.20 0.00 -1.00 0.00 0.00 55.97 53.58 1ri0 s LYS 11 Cb -0.14 -2.60 -0.08 0.00 -2.06 0.00 0.00 37.83 32.96 1ri0 s LYS 11 CO -0.11 -0.73 0.83 0.00 0.10 0.00 0.00 175.35 175.44 1ri0 n GLY 13 N 1.43 1.83 3.78 0.00 0.00 -1.24 -5.02 105.19 105.98 1ri0 n GLY 13 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.16 6.00 -0.09 1.61 2.15 -0.53 -4.77 116.67 117.88 1ri0 s ASP 14 Ca 0.00 2.07 0.04 0.00 0.43 0.00 0.00 52.55 55.09 1ri0 s ASP 14 Cb 0.00 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1ri0 s ASP 14 CO 0.00 -1.02 -0.23 -0.22 -0.17 0.00 0.00 175.17 173.53 1ri0 s LEU 15 N -3.65 2.05 0.37 -1.34 0.20 -1.26 -0.11 118.68 114.94 1ri0 s LEU 15 Ca 0.70 -0.53 -0.04 0.00 0.69 0.00 0.00 54.13 54.95 1ri0 s LEU 15 Cb -0.21 -1.35 0.02 0.00 -0.43 0.00 0.00 46.19 44.22 1ri0 s LEU 15 CO 0.24 0.17 0.56 0.54 -0.29 0.00 0.00 176.35 177.57 1ri0 s VAL 16 N 0.25 0.00 -0.43 1.68 0.11 -0.95 -4.96 120.40 116.11 1ri0 s VAL 16 Ca -0.15 -1.47 -0.21 0.00 -2.93 0.00 0.00 61.98 57.23 1ri0 s VAL 16 Cb -0.17 -2.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.94 1ri0 s VAL 16 CO 0.07 0.00 0.63 -0.36 -3.33 0.00 0.00 175.10 172.12 1ri0 s PHE 17 N -2.72 3.08 0.18 1.54 0.08 -0.94 -1.50 117.98 117.71 1ri0 s PHE 17 Ca 0.28 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.27 1ri0 s PHE 17 Cb -0.02 -3.30 -0.05 0.00 -0.57 0.00 0.00 43.02 39.08 1ri0 s PHE 17 CO 0.20 -0.83 0.42 0.00 -0.10 0.00 0.00 175.22 174.91 1ri0 s ALA 18 N 2.78 3.75 -0.04 5.36 0.00 0.20 -1.36 121.76 132.45 1ri0 s ALA 18 Ca 0.22 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1ri0 s ALA 18 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1ri0 s ALA 18 CO 0.18 0.55 -0.23 0.21 0.00 0.00 0.00 175.76 176.47 1ri0 s LYS 19 N -2.93 2.41 0.09 0.00 2.20 0.15 0.26 119.74 121.92 1ri0 s LYS 19 Ca 0.42 -0.87 0.08 0.00 -0.36 0.00 0.00 55.97 55.24 1ri0 s LYS 19 Cb -0.12 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 1ri0 s LYS 19 CO 0.26 0.49 -0.21 1.41 -0.36 0.00 0.00 175.35 176.93 1ri0 s MET 20 N -0.42 1.19 -0.01 4.03 1.75 -1.00 -4.79 119.30 120.05 1ri0 s MET 20 Ca 0.04 -1.14 -0.32 0.00 -1.25 0.00 0.00 55.69 53.03 1ri0 s MET 20 Cb -0.12 -1.44 -0.10 0.00 2.84 0.00 0.00 34.83 36.00 1ri0 s MET 20 CO 0.01 0.34 1.92 1.63 -0.65 0.00 0.00 175.02 178.28 1ri0 n LYS 21 N 1.21 2.58 0.00 4.11 4.76 -1.26 0.18 118.16 129.73 1ri0 n LYS 21 Ca -0.19 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1ri0 n LYS 21 Cb 0.53 -2.85 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 1ri0 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ri0 n GLY 22 N 4.46 3.30 3.32 0.72 0.00 -1.26 -5.01 105.19 110.73 1ri0 n GLY 22 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1ri0 n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ri0 s TYR 23 N -2.22 2.61 0.99 1.61 5.04 0.13 -5.13 117.35 120.37 1ri0 s TYR 23 Ca 0.00 -0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 53.82 1ri0 s TYR 23 Cb 0.00 -1.69 0.18 0.00 0.35 0.00 0.00 41.96 40.80 1ri0 s TYR 23 CO 0.00 -0.18 1.17 -1.25 -1.34 0.00 0.00 175.55 173.95 1ri0 s PRO 24 N -0.03 0.50 -0.05 4.97 0.04 -1.26 -2.39 135.00 136.78 1ri0 s PRO 24 Ca -0.06 0.05 -0.40 0.00 0.04 0.00 0.00 61.00 60.63 1ri0 s PRO 24 Cb -0.15 -1.79 -0.20 0.00 0.04 0.00 0.00 34.50 32.41 1ri0 s PRO 24 CO 0.05 -2.58 1.10 0.72 0.04 0.00 0.00 177.00 176.32 1ri0 n HIS 25 N -3.98 0.74 -4.05 0.56 8.25 -1.26 -4.51 115.22 110.97 1ri0 n HIS 25 Ca 0.10 1.04 -0.10 0.00 -0.26 0.00 0.00 57.72 58.50 1ri0 n HIS 25 Cb 0.59 -2.05 -0.11 0.00 1.12 0.00 0.00 29.99 29.54 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 0.30 0.52 -0.58 4.41 -0.11 0.14 -4.49 118.94 119.13 1ri0 s TRP 26 Ca 0.90 -0.64 -0.27 0.00 1.22 0.00 0.00 56.10 57.31 1ri0 s TRP 26 Cb -1.26 -0.33 0.01 0.00 -1.50 0.00 0.00 33.47 30.38 1ri0 s TRP 26 CO 0.58 -0.17 1.51 -1.25 -4.62 0.00 0.00 176.95 173.00 1ri0 s PRO 27 N -2.13 3.15 0.03 5.86 0.04 -1.26 0.61 135.00 141.31 1ri0 s PRO 27 Ca -0.07 0.45 0.06 0.00 0.04 0.00 0.00 61.00 61.48 1ri0 s PRO 27 Cb -0.06 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.27 1ri0 s PRO 27 CO -0.02 -2.12 -0.18 0.00 0.04 0.00 0.00 177.00 174.71 1ri0 s ALA 28 N 6.67 1.53 0.40 8.56 0.00 -0.56 -2.23 121.76 136.13 1ri0 s ALA 28 Ca 0.55 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1ri0 s ALA 28 Cb -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1ri0 s ALA 28 CO 0.23 0.34 0.64 0.50 0.00 0.00 0.00 175.76 177.47 1ri0 s ARG 29 N -0.96 3.48 0.14 0.00 3.52 0.14 -2.23 118.95 123.04 1ri0 s ARG 29 Ca 0.06 -0.15 -0.16 0.00 -0.13 0.00 0.00 55.73 55.35 1ri0 s ARG 29 Cb -0.08 -2.55 -0.07 0.00 -1.56 0.00 0.00 34.95 30.69 1ri0 s ARG 29 CO 0.01 -0.00 0.57 -1.50 -0.81 0.00 0.00 175.30 173.57 1ri0 s ILE 30 N -2.48 4.80 -0.11 4.11 -1.16 0.85 -0.99 121.20 126.22 1ri0 s ILE 30 Ca 0.43 0.95 -0.22 0.00 -0.51 0.00 0.00 60.65 61.30 1ri0 s ILE 30 Cb -0.10 -3.78 0.05 0.00 0.61 0.00 0.00 42.46 39.25 1ri0 s ILE 30 CO 0.39 0.29 0.53 -1.81 -2.81 0.00 0.00 174.94 171.53 1ri0 s ASP 31 N -1.61 -0.50 0.50 4.50 1.01 0.15 -3.62 116.67 117.10 1ri0 s ASP 31 Ca 0.37 0.71 0.05 0.00 0.71 0.00 0.00 52.55 54.39 1ri0 s ASP 31 Cb -0.16 0.72 0.03 0.00 1.01 0.00 0.00 42.92 44.52 1ri0 s ASP 31 CO 0.19 -0.39 0.69 -1.83 0.21 0.00 0.00 175.17 174.04 1ri0 s GLU 32 N -0.61 2.62 -0.30 8.23 -1.05 -1.26 0.06 118.70 126.39 1ri0 s GLU 32 Ca -0.07 -1.07 -0.29 0.00 -0.15 0.00 0.00 54.97 53.39 1ri0 s GLU 32 Cb -0.03 -2.62 -0.00 0.00 -0.44 0.00 0.00 34.13 31.04 1ri0 s GLU 32 CO 0.05 -0.55 1.41 0.00 0.95 0.00 0.00 175.26 177.11 1ri0 s MET 33 N -4.58 3.81 0.92 -4.83 0.23 -1.26 -4.64 119.30 108.95 1ri0 s MET 33 Ca 0.57 1.30 -0.13 0.00 -1.03 0.00 0.00 55.69 56.41 1ri0 s MET 33 Cb -0.10 -3.95 0.14 0.00 -1.53 0.00 0.00 34.83 29.40 1ri0 s MET 33 CO 0.36 -1.26 1.14 -1.25 -2.03 0.00 0.00 175.02 171.99 1ri0 s PRO 34 N 4.46 1.06 -0.14 3.16 0.04 -1.26 -4.89 135.00 137.44 1ri0 s PRO 34 Ca 0.61 0.26 0.17 0.00 0.04 0.00 0.00 61.00 62.08 1ri0 s PRO 34 Cb -0.18 -1.83 0.36 0.00 0.04 0.00 0.00 34.50 32.88 1ri0 s PRO 34 CO 0.26 -2.24 1.19 -0.85 0.04 0.00 0.00 177.00 175.40 1ri0 n GLU 35 N -3.79 0.74 0.00 4.56 0.28 -1.26 -4.05 120.64 117.11 1ri0 n GLU 35 Ca 0.07 -2.06 0.00 0.00 -0.16 0.00 0.00 57.16 55.01 1ri0 n GLU 35 Cb 0.59 -0.26 0.00 0.00 1.43 0.00 0.00 31.44 33.20 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 -0.30 0.00 -0.61 -1.84 0.00 -1.26 -4.52 120.51 111.98 1ri0 n ALA 36 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.47 1ri0 n ALA 36 Cb 0.91 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.67 1ri0 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ri0 n ALA 37 N -2.19 2.93 -2.54 0.00 0.00 -1.26 -4.96 120.51 112.50 1ri0 n ALA 37 Ca 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 53.44 51.65 1ri0 n ALA 37 Cb 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 1ri0 n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ri0 s VAL 38 N -1.85 0.00 0.38 0.00 0.11 -1.26 -5.18 120.40 112.60 1ri0 s VAL 38 Ca 0.46 -1.82 0.04 0.00 -2.93 0.00 0.00 61.98 57.72 1ri0 s VAL 38 Cb 0.30 -2.54 0.04 0.00 -1.53 0.00 0.00 36.38 32.64 1ri0 s VAL 38 CO 0.21 0.00 0.30 0.29 -3.33 0.00 0.00 175.10 172.58 1ri0 n LYS 39 N -0.55 0.91 -4.46 1.54 4.01 -1.26 -4.13 118.16 114.23 1ri0 n LYS 39 Ca 0.04 -2.36 -0.23 0.00 -0.51 0.00 0.00 58.31 55.25 1ri0 n LYS 39 Cb 0.62 0.23 -0.10 0.00 -0.51 0.00 0.00 35.03 35.27 1ri0 n LYS 39 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1ri0 s SER 40 N -3.25 3.06 0.46 4.39 1.04 -1.26 -4.74 113.70 113.41 1ri0 s SER 40 Ca 0.23 -1.18 0.05 0.00 0.48 0.00 0.00 55.95 55.53 1ri0 s SER 40 Cb -0.02 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 1ri0 s SER 40 CO 0.15 -0.28 0.08 -0.89 0.98 0.00 0.00 173.24 173.27 1ri0 s THR 41 N -2.88 1.73 0.22 2.02 2.01 -1.26 -5.14 115.64 112.33 1ri0 s THR 41 Ca 0.30 -1.89 0.04 0.00 0.31 0.00 0.00 61.69 60.46 1ri0 s THR 41 Cb 0.03 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1ri0 s THR 41 CO 0.13 0.00 0.33 0.00 -0.69 0.00 0.00 174.62 174.39 1ri0 s ALA 42 N -2.75 3.92 -0.73 7.40 0.00 -1.26 -4.64 121.76 123.70 1ri0 s ALA 42 Ca 0.26 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1ri0 s ALA 42 Cb 0.05 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1ri0 s ALA 42 CO 0.14 0.32 0.62 0.27 0.00 0.00 0.00 175.76 177.11 1ri0 n ASN 43 N -1.17 -5.03 -3.63 0.00 0.23 -1.26 -4.96 115.26 99.45 1ri0 n ASN 43 Ca -0.08 -0.75 -0.05 0.00 -0.53 0.00 0.00 54.58 53.16 1ri0 n ASN 43 Cb 0.56 -1.67 -0.06 0.00 -2.08 0.00 0.00 39.78 36.53 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 -4.28 0.22 0.12 -3.83 -2.85 -1.26 -5.09 119.74 102.77 1ri0 s LYS 44 Ca 0.10 0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.29 1ri0 s LYS 44 Cb -0.01 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 1ri0 s LYS 44 CO 0.89 -0.05 -0.18 -0.47 0.10 0.00 0.00 175.35 175.64 1ri0 s TYR 45 N -0.50 1.68 -0.13 1.78 5.04 -0.41 -4.84 117.35 119.96 1ri0 s TYR 45 Ca 0.06 -0.46 -0.18 0.00 -2.44 0.00 0.00 57.07 54.04 1ri0 s TYR 45 Cb -0.03 -0.89 -0.04 0.00 0.35 0.00 0.00 41.96 41.35 1ri0 s TYR 45 CO -0.09 0.22 0.49 -1.14 -1.34 0.00 0.00 175.55 173.69 1ri0 s GLN 46 N -2.28 4.31 -0.12 4.97 -0.44 0.11 -1.37 119.66 124.85 1ri0 s GLN 46 Ca 0.09 0.45 -0.01 0.00 -2.50 0.00 0.00 55.36 53.39 1ri0 s GLN 46 Cb -0.08 -3.46 0.03 0.00 -1.64 0.00 0.00 33.01 27.86 1ri0 s GLN 46 CO 0.05 0.09 -0.06 0.08 0.50 0.00 0.00 175.29 175.95 1ri0 s VAL 47 N 0.83 1.00 -0.41 1.34 1.01 -0.66 0.30 120.40 123.80 1ri0 s VAL 47 Ca 0.26 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1ri0 s VAL 47 Cb -0.15 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1ri0 s VAL 47 CO 0.10 0.30 0.41 0.12 0.00 0.00 0.00 175.10 176.03 1ri0 s PHE 48 N 1.71 3.18 -0.23 5.22 5.36 -0.16 0.19 117.98 133.26 1ri0 s PHE 48 Ca 0.04 -0.37 -0.26 0.00 -0.96 0.00 0.00 56.93 55.39 1ri0 s PHE 48 Cb -0.13 -2.83 -0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1ri0 s PHE 48 CO -0.08 -0.66 0.88 -0.06 -1.46 0.00 0.00 175.22 173.84 1ri0 s PHE 49 N 2.06 3.33 0.14 10.12 0.40 0.34 0.27 117.98 134.65 1ri0 s PHE 49 Ca 0.11 1.23 0.04 0.00 -0.60 0.00 0.00 56.93 57.71 1ri0 s PHE 49 Cb -0.17 -3.10 -0.12 0.00 0.51 0.00 0.00 43.02 40.14 1ri0 s PHE 49 CO 0.13 -0.40 1.31 0.74 0.70 0.00 0.00 175.22 177.70 1ri0 h PHE 50 N 7.58 0.16 0.48 0.36 0.04 -1.71 0.38 116.94 124.22 1ri0 h PHE 50 Ca -0.23 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.43 1ri0 h PHE 50 Cb 1.09 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 1ri0 h PHE 50 CO 0.75 1.01 -0.36 0.78 -0.60 0.00 0.00 178.31 179.88 1ri0 h GLY 51 N 2.37 -0.91 1.74 -1.45 0.00 -1.78 -2.81 103.07 100.23 1ri0 h GLY 51 Ca -0.04 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1ri0 h GLY 51 CO 0.14 -0.32 -0.26 -0.91 0.00 0.00 0.00 176.54 175.19 1ri0 h THR 52 N -0.83 0.00 -3.01 4.70 1.35 -1.86 -3.44 112.91 109.82 1ri0 h THR 52 Ca -0.05 -0.99 -0.19 0.00 -0.55 0.00 0.00 66.41 64.63 1ri0 h THR 52 Cb 0.70 1.86 0.05 0.00 -1.73 0.00 0.00 68.15 69.03 1ri0 h THR 52 CO 0.01 0.00 -0.32 1.57 -0.25 0.00 0.00 175.52 176.53 1ri0 n HIS 53 N -2.97 -1.24 -4.12 4.73 -0.00 0.02 -5.03 115.22 106.61 1ri0 n HIS 53 Ca 0.03 0.41 -0.09 0.00 0.46 0.00 0.00 57.72 58.53 1ri0 n HIS 53 Cb 0.53 -2.86 -0.10 0.00 -0.12 0.00 0.00 29.99 27.44 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 -5.44 0.80 -0.27 1.57 -1.05 -0.58 -5.00 118.70 108.73 1ri0 s GLU 54 Ca 0.24 -1.35 -0.14 0.00 -0.15 0.00 0.00 54.97 53.57 1ri0 s GLU 54 Cb -0.10 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1ri0 s GLU 54 CO 0.29 -0.20 0.34 0.99 0.95 0.00 0.00 175.26 177.64 1ri0 s THR 55 N -3.99 5.20 -0.07 1.83 2.01 -1.26 -0.50 115.64 118.85 1ri0 s THR 55 Ca 0.17 0.51 0.05 0.00 0.31 0.00 0.00 61.69 62.73 1ri0 s THR 55 Cb 0.08 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1ri0 s THR 55 CO -0.03 0.18 -0.23 0.00 -0.69 0.00 0.00 174.62 173.85 1ri0 s ALA 56 N 1.98 2.27 -0.38 7.40 0.00 0.13 -4.96 121.76 128.19 1ri0 s ALA 56 Ca 0.14 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1ri0 s ALA 56 Cb -0.16 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1ri0 s ALA 56 CO 0.10 0.40 1.24 -0.59 0.00 0.00 0.00 175.76 176.91 1ri0 s PHE 57 N -0.12 2.74 0.37 0.00 -0.71 -1.26 -1.66 117.98 117.33 1ri0 s PHE 57 Ca -0.04 0.84 0.04 0.00 -1.04 0.00 0.00 56.93 56.73 1ri0 s PHE 57 Cb -0.14 -4.12 -0.03 0.00 -1.21 0.00 0.00 43.02 37.52 1ri0 s PHE 57 CO 0.04 -1.48 0.17 -0.51 -1.34 0.00 0.00 175.22 172.10 1ri0 s LEU 58 N 4.52 1.88 0.00 -1.99 1.43 -0.47 -4.94 118.68 119.11 1ri0 s LEU 58 Ca 0.53 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 1ri0 s LEU 58 Cb -0.12 0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1ri0 s LEU 58 CO 0.26 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.50 1ri0 n GLY 59 N -0.79 6.47 0.14 -3.19 0.00 -1.26 -1.29 105.19 105.28 1ri0 n GLY 59 Ca -0.02 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 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 0.40 -0.18 1.61 0.13 -1.97 -3.12 132.00 128.87 1ri0 h PRO 60 Ca 0.00 -0.39 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1ri0 h PRO 60 Cb 0.00 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.20 1ri0 h PRO 60 CO 0.00 1.05 -0.02 1.57 -0.23 0.00 0.00 178.00 180.37 1ri0 h LYS 61 N -0.11 0.03 -0.08 0.86 2.10 -2.01 0.23 116.57 117.59 1ri0 h LYS 61 Ca -0.06 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1ri0 h LYS 61 Cb 1.21 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1ri0 h LYS 61 CO 0.10 0.02 0.26 -0.44 -2.00 0.00 0.00 179.45 177.39 1ri0 h ASP 62 N 0.03 0.00 -3.45 7.07 3.32 -1.87 -3.37 116.42 118.14 1ri0 h ASP 62 Ca 0.08 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.52 1ri0 h ASP 62 Cb 0.12 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.52 1ri0 h ASP 62 CO -0.16 0.00 -0.52 -0.76 -1.72 0.00 0.00 179.24 176.08 1ri0 s LEU 63 N -6.32 4.02 -0.02 1.55 1.02 0.82 0.31 118.68 120.05 1ri0 s LEU 63 Ca -0.04 0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.24 1ri0 s LEU 63 Cb 0.11 -2.06 -0.00 0.00 0.02 0.00 0.00 46.19 44.27 1ri0 s LEU 63 CO 0.37 0.11 -0.09 -0.36 0.02 0.00 0.00 176.35 176.40 1ri0 s PHE 64 N 0.79 0.89 0.99 0.29 0.40 -0.47 -4.86 117.98 116.01 1ri0 s PHE 64 Ca 0.06 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.04 1ri0 s PHE 64 Cb -0.13 -0.61 0.19 0.00 0.51 0.00 0.00 43.02 42.98 1ri0 s PHE 64 CO 0.02 -0.07 1.18 -1.25 0.70 0.00 0.00 175.22 175.80 1ri0 s PRO 65 N 0.06 0.45 0.13 0.24 0.04 -1.26 -2.22 135.00 132.45 1ri0 s PRO 65 Ca -0.01 0.02 -0.08 0.00 0.04 0.00 0.00 61.00 60.98 1ri0 s PRO 65 Cb -0.07 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 1ri0 s PRO 65 CO 0.00 -2.61 1.34 -0.92 0.04 0.00 0.00 177.00 174.85 1ri0 h TYR 66 N -1.79 0.84 -0.35 0.56 5.03 -1.96 -1.37 116.97 117.92 1ri0 h TYR 66 Ca -0.48 -0.39 0.07 0.00 2.58 0.00 0.00 58.73 60.52 1ri0 h TYR 66 Cb 1.30 -0.12 -0.07 0.00 1.55 0.00 0.00 36.73 39.39 1ri0 h TYR 66 CO -0.66 1.19 -0.11 0.93 -1.32 0.00 0.00 178.16 178.19 1ri0 h GLU 67 N 0.40 -0.04 -0.06 1.82 5.08 -1.97 1.70 114.58 121.51 1ri0 h GLU 67 Ca -0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1ri0 h GLU 67 Cb 1.42 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1ri0 h GLU 67 CO 0.15 -0.02 -0.15 1.49 -1.00 0.00 0.00 179.01 179.48 1ri0 h GLU 68 N -0.04 0.22 -0.36 2.33 4.81 -1.95 -1.14 114.58 118.45 1ri0 h GLU 68 Ca 0.17 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1ri0 h GLU 68 Cb 0.30 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1ri0 h GLU 68 CO -0.38 0.75 0.08 0.66 -0.73 0.00 0.00 179.01 179.39 1ri0 h SER 69 N -0.28 0.03 0.69 1.04 4.64 -0.81 0.16 113.55 119.01 1ri0 h SER 69 Ca -0.00 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1ri0 h SER 69 Cb 0.75 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1ri0 h SER 69 CO 0.03 0.05 -0.10 0.07 -0.87 0.00 0.00 176.83 176.01 1ri0 h LYS 70 N 0.20 0.00 -0.61 4.77 2.10 0.25 1.71 116.57 125.00 1ri0 h LYS 70 Ca 0.17 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.79 1ri0 h LYS 70 Cb 0.19 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 1ri0 h LYS 70 CO -0.22 0.10 0.25 1.49 -2.00 0.00 0.00 179.45 179.08 1ri0 h GLU 71 N 0.00 0.90 0.00 0.07 4.81 0.62 -3.38 114.58 117.61 1ri0 h GLU 71 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1ri0 h GLU 71 Cb 0.47 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ri0 h GLU 71 CO 0.01 0.76 -0.22 1.17 -0.73 0.00 0.00 179.01 180.00 1ri0 n LYS 72 N -4.47 0.13 0.04 1.92 4.81 -0.89 -5.03 118.16 114.67 1ri0 n LYS 72 Ca 0.04 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1ri0 n LYS 72 Cb 0.16 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.41 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 -2.96 -0.56 -0.70 5.64 3.01 0.15 -5.01 117.46 117.04 1ri0 n PHE 73 Ca -0.03 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1ri0 n PHE 73 Cb 0.12 0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 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 2.22 1.25 2.91 1.37 0.00 0.53 -4.37 105.19 109.10 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 -0.12 1.43 1.02 1.61 1.02 -1.26 -4.84 119.74 118.60 1ri0 s LYS 75 Ca 0.00 -1.93 -0.16 0.00 0.02 0.00 0.00 55.97 53.91 1ri0 s LYS 75 Cb 0.00 -2.89 0.20 0.00 -0.52 0.00 0.00 37.83 34.63 1ri0 s LYS 75 CO 0.00 -1.02 1.19 -1.25 -0.92 0.00 0.00 175.35 173.35 1ri0 s PRO 76 N 0.67 0.24 0.16 -1.68 0.04 -1.26 -4.93 135.00 128.24 1ri0 s PRO 76 Ca 0.13 -0.04 -0.34 0.00 0.04 0.00 0.00 61.00 60.79 1ri0 s PRO 76 Cb -0.21 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 1ri0 s PRO 76 CO -0.08 -2.74 1.42 0.09 0.04 0.00 0.00 177.00 175.73 1ri0 n ASN 77 N -4.08 2.38 -4.51 6.66 5.03 -1.26 -4.85 115.26 114.63 1ri0 n ASN 77 Ca 0.11 1.11 -0.43 0.00 0.87 0.00 0.00 54.58 56.25 1ri0 n ASN 77 Cb 0.59 -1.33 -0.01 0.00 -1.02 0.00 0.00 39.78 38.01 1ri0 n ASN 77 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ri0 s LYS 78 N 0.32 3.80 0.32 3.52 -0.14 -1.26 -4.81 119.74 121.48 1ri0 s LYS 78 Ca 0.77 -1.84 0.03 0.00 -1.36 0.00 0.00 55.97 53.58 1ri0 s LYS 78 Cb -0.77 -5.21 0.06 0.00 -1.68 0.00 0.00 37.83 30.22 1ri0 s LYS 78 CO 0.45 -2.00 0.44 0.54 -0.76 0.00 0.00 175.35 174.02 1ri0 n ARG 79 N 7.38 0.63 -0.11 1.68 5.12 -1.26 -4.93 116.66 125.16 1ri0 n ARG 79 Ca 0.35 -1.52 -0.12 0.00 -1.93 0.00 0.00 57.85 54.63 1ri0 n ARG 79 Cb 0.47 -0.19 -0.03 0.00 -1.16 0.00 0.00 32.46 31.56 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 0.69 0.00 5.56 1.57 -2.01 -2.32 116.57 120.06 1ri0 h LYS 80 Ca -0.15 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1ri0 h LYS 80 Cb 0.63 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ri0 h LYS 80 CO 0.19 0.88 0.00 0.41 -0.57 0.00 0.00 179.45 180.36 1ri0 n GLY 81 N -0.10 -1.23 0.09 3.86 0.00 -1.26 -2.62 105.19 103.93 1ri0 n GLY 81 Ca -0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 0.12 0.13 1.61 3.04 -1.75 -0.31 116.94 119.78 1ri0 h PHE 82 Ca 0.00 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1ri0 h PHE 82 Cb 0.33 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1ri0 h PHE 82 CO 0.00 1.20 -0.06 1.03 -2.02 0.00 0.00 178.31 178.46 1ri0 h SER 83 N -0.85 -0.14 -0.07 0.41 0.87 -1.46 0.12 113.55 112.43 1ri0 h SER 83 Ca -0.12 -0.28 -0.13 0.00 -1.23 0.00 0.00 61.79 60.02 1ri0 h SER 83 Cb 1.23 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1ri0 h SER 83 CO -0.02 0.22 -0.40 1.05 -0.53 0.00 0.00 176.83 177.15 1ri0 h GLU 84 N -0.53 0.59 0.30 2.24 4.11 -1.68 -2.08 114.58 117.53 1ri0 h GLU 84 Ca -0.02 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 59.10 1ri0 h GLU 84 Cb 0.42 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ri0 h GLU 84 CO 0.03 0.89 -0.14 0.78 0.07 0.00 0.00 179.01 180.64 1ri0 h GLY 85 N 1.03 -0.42 1.94 1.06 0.00 -1.01 1.36 103.07 107.03 1ri0 h GLY 85 Ca 0.04 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1ri0 h GLY 85 CO 0.08 -0.15 0.02 -2.00 0.00 0.00 0.00 176.54 174.49 1ri0 h LEU 86 N -0.58 0.00 0.00 3.11 7.12 -0.76 0.42 115.31 124.63 1ri0 h LEU 86 Ca -0.04 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1ri0 h LEU 86 Cb 0.42 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1ri0 h LEU 86 CO 0.07 0.00 -0.73 -0.50 -0.13 0.00 0.00 178.44 177.15 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 6.55 -0.90 -1.45 115.95 121.40 1ri0 h TRP 87 Ca 0.01 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.81 1ri0 h TRP 87 Cb 0.06 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.36 1ri0 h TRP 87 CO 0.00 0.08 -0.20 0.93 -1.05 0.00 0.00 178.44 178.21 1ri0 h GLU 88 N 0.00 0.00 0.00 0.49 5.08 0.63 1.08 114.58 121.86 1ri0 h GLU 88 Ca -0.02 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.94 1ri0 h GLU 88 Cb 1.08 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 1ri0 h GLU 88 CO 0.01 0.20 -2.49 1.51 -1.00 0.00 0.00 179.01 177.24 1ri0 n ILE 89 N -3.28 1.49 0.09 3.13 0.00 -0.60 -3.48 119.36 116.72 1ri0 n ILE 89 Ca 0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 62.75 62.16 1ri0 n ILE 89 Cb 0.47 -1.52 -0.01 0.00 0.00 0.00 0.00 39.64 38.57 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 -0.23 0.11 -2.21 9.51 5.08 -1.31 -3.36 114.58 122.17 1ri0 h GLU 90 Ca -0.61 -0.13 -0.58 0.00 -1.00 0.00 0.00 59.36 57.04 1ri0 h GLU 90 Cb 1.83 0.04 -0.40 0.00 0.50 0.00 0.00 28.75 30.72 1ri0 h GLU 90 CO -0.17 0.92 -0.91 0.09 -1.00 0.00 0.00 179.01 177.95 1ri0 n ASN 91 N -3.59 1.23 -4.72 1.42 3.02 0.37 -5.03 115.26 107.96 1ri0 n ASN 91 Ca -0.02 -2.87 -0.42 0.00 -0.03 0.00 0.00 54.58 51.24 1ri0 n ASN 91 Cb 0.82 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.32 7.23 -0.07 6.41 4.22 -1.23 -4.28 114.94 125.91 1ri0 s ASN 92 Ca 0.35 1.97 -0.18 0.00 -2.14 0.00 0.00 52.86 52.86 1ri0 s ASN 92 Cb 0.12 -2.59 -0.14 0.00 1.28 0.00 0.00 41.25 39.93 1ri0 s ASN 92 CO -0.11 -0.31 0.68 1.55 -2.04 0.00 0.00 177.10 176.88 1ri0 h PRO 93 N 6.06 -0.18 -2.03 3.55 0.13 -1.89 -3.41 132.00 134.23 1ri0 h PRO 93 Ca -0.43 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.15 1ri0 h PRO 93 Cb 1.21 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1ri0 h PRO 93 CO 0.76 0.23 -1.09 2.41 -0.23 0.00 0.00 178.00 180.08 1ri0 n THR 94 N -4.88 -0.65 -1.53 1.56 -1.04 -1.26 -5.07 114.28 101.41 1ri0 n THR 94 Ca -0.07 -4.01 -0.39 0.00 -2.04 0.00 0.00 64.05 57.55 1ri0 n THR 94 Cb 0.24 -1.95 -0.07 0.00 -1.82 0.00 0.00 70.33 66.74 1ri0 n THR 94 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1ri0 n VAL 95 N 1.48 -0.03 0.12 12.58 3.14 -1.26 -4.74 118.33 129.62 1ri0 n VAL 95 Ca 0.22 -0.52 0.04 0.00 -2.96 0.00 0.00 64.34 61.12 1ri0 n VAL 95 Cb 0.52 -2.03 0.46 0.00 -1.06 0.00 0.00 33.84 31.73 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 16.77 0.26 -7.19 1.45 2.10 -2.01 -3.43 116.57 124.52 1ri0 h LYS 96 Ca -0.19 -0.03 -0.50 0.00 -2.00 0.00 0.00 60.65 57.92 1ri0 h LYS 96 Cb 1.28 -0.05 0.09 0.00 -0.90 0.00 0.00 32.23 32.65 1ri0 h LYS 96 CO 1.21 0.27 0.38 0.00 -2.00 0.00 0.00 179.45 179.32 1ri0 s ALA 97 N -5.03 2.59 0.27 0.07 0.00 -1.26 -4.94 121.76 113.46 1ri0 s ALA 97 Ca -0.06 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1ri0 s ALA 97 Cb 0.16 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.87 1ri0 s ALA 97 CO 0.72 -1.07 1.37 -1.13 0.00 0.00 0.00 175.76 175.65 1ri0 n SER 98 N -2.21 2.77 -1.79 0.00 3.41 -1.26 -4.99 113.62 109.55 1ri0 n SER 98 Ca 0.10 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1ri0 n SER 98 Cb 0.52 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ri0 n GLY 99 N 1.73 0.40 0.00 5.00 0.00 -1.26 -5.14 105.19 105.91 1ri0 n GLY 99 Ca 0.09 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30