#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 3.30 0.48 7.83 0.01 -1.26 -4.69 113.70 119.37 1ri0 s SER 2 Ca 0.00 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 56.34 1ri0 s SER 2 Cb 0.00 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.00 1ri0 s SER 2 CO 0.00 0.04 0.68 0.00 0.41 0.00 0.00 173.24 174.37 1ri0 s ARG 3 N -3.12 2.80 -0.13 12.44 1.70 -1.26 -5.01 118.95 126.37 1ri0 s ARG 3 Ca 0.24 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 1ri0 s ARG 3 Cb -0.06 -2.58 -0.01 0.00 -0.57 0.00 0.00 34.95 31.73 1ri0 s ARG 3 CO 0.11 -0.43 -0.14 0.45 -1.08 0.00 0.00 175.30 174.21 1ri0 s SER 4 N -4.32 3.89 0.24 -2.89 0.15 -1.26 -5.12 113.70 104.39 1ri0 s SER 4 Ca 0.53 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.83 1ri0 s SER 4 Cb -0.10 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.63 1ri0 s SER 4 CO 0.37 0.15 0.12 -0.46 1.20 0.00 0.00 173.24 174.62 1ri0 n ASN 5 N 3.62 2.06 -4.72 5.45 6.94 -1.26 -5.15 115.26 122.20 1ri0 n ASN 5 Ca -0.18 -1.88 -0.22 0.00 -0.02 0.00 0.00 54.58 52.28 1ri0 n ASN 5 Cb 0.53 0.04 0.10 0.00 -2.36 0.00 0.00 39.78 38.09 1ri0 n ASN 5 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1ri0 n ARG 6 N -0.89 0.18 -0.04 -3.83 1.85 -1.26 -5.08 116.66 107.58 1ri0 n ARG 6 Ca -0.04 -2.90 -0.05 0.00 -1.00 0.00 0.00 57.85 53.87 1ri0 n ARG 6 Cb 0.28 -0.49 -0.02 0.00 -1.05 0.00 0.00 32.46 31.18 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 -2.61 0.28 0.00 2.89 -0.00 -1.26 -4.94 117.38 111.74 1ri0 n GLN 7 Ca 0.17 0.11 0.00 0.00 -0.00 0.00 0.00 57.00 57.28 1ri0 n GLN 7 Cb 0.60 -0.97 0.00 0.00 -0.00 0.00 0.00 30.24 29.87 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 -3.64 0.83 -1.82 2.61 -0.00 -1.26 -5.01 118.16 109.87 1ri0 n LYS 8 Ca -0.07 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.81 1ri0 n LYS 8 Cb 0.28 -0.85 -0.03 0.00 -0.00 0.00 0.00 35.03 34.43 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 -1.71 3.52 -0.04 -1.58 4.04 -1.26 -4.96 118.70 116.71 1ri0 s GLU 9 Ca 0.00 1.92 0.01 0.00 0.04 0.00 0.00 54.97 56.94 1ri0 s GLU 9 Cb 0.00 -4.22 0.02 0.00 0.02 0.00 0.00 34.13 29.96 1ri0 s GLU 9 CO 0.00 -1.65 -0.05 1.52 -1.84 0.00 0.00 175.26 173.24 1ri0 s TYR 10 N 6.56 0.77 0.38 4.83 1.13 -1.26 -4.75 117.35 125.00 1ri0 s TYR 10 Ca 0.87 -0.21 0.06 0.00 -1.41 0.00 0.00 57.07 56.37 1ri0 s TYR 10 Cb -0.31 -0.67 -0.02 0.00 -1.10 0.00 0.00 41.96 39.86 1ri0 s TYR 10 CO 0.34 -0.19 0.20 1.63 -2.51 0.00 0.00 175.55 175.03 1ri0 n LYS 11 N 4.00 0.51 -1.37 -3.49 5.02 -1.26 -5.05 118.16 116.52 1ri0 n LYS 11 Ca -0.25 -3.38 -0.44 0.00 -2.02 0.00 0.00 58.31 52.22 1ri0 n LYS 11 Cb 0.51 2.21 -0.01 0.00 -0.02 0.00 0.00 35.03 37.72 1ri0 n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ri0 n GLY 13 N 2.10 0.74 3.83 0.00 0.00 -1.24 -5.04 105.19 105.59 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 -3.00 6.77 -0.08 1.61 -1.08 -0.54 -4.95 116.67 115.41 1ri0 s ASP 14 Ca 0.00 0.92 0.02 0.00 -0.52 0.00 0.00 52.55 52.97 1ri0 s ASP 14 Cb 0.00 -2.24 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 1ri0 s ASP 14 CO 0.00 0.32 -0.13 -0.76 0.52 0.00 0.00 175.17 175.11 1ri0 s LEU 15 N -1.00 2.75 0.36 -1.34 2.01 -1.26 -0.76 118.68 119.44 1ri0 s LEU 15 Ca 0.23 -0.24 -0.10 0.00 0.01 0.00 0.00 54.13 54.03 1ri0 s LEU 15 Cb -0.16 -1.58 0.03 0.00 0.01 0.00 0.00 46.19 44.49 1ri0 s LEU 15 CO 0.12 0.27 0.65 0.68 1.01 0.00 0.00 176.35 179.09 1ri0 s VAL 16 N -0.29 0.00 -0.44 -1.59 -7.23 -1.01 -4.92 120.40 104.92 1ri0 s VAL 16 Ca 0.02 -1.25 -0.21 0.00 -1.81 0.00 0.00 61.98 58.73 1ri0 s VAL 16 Cb -0.13 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1ri0 s VAL 16 CO 0.03 0.00 0.66 -0.36 -0.31 0.00 0.00 175.10 175.12 1ri0 s PHE 17 N -2.68 3.05 -0.05 2.82 0.08 -0.89 -1.77 117.98 118.54 1ri0 s PHE 17 Ca 0.22 -0.05 -0.14 0.00 0.12 0.00 0.00 56.93 57.08 1ri0 s PHE 17 Cb -0.03 -3.40 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 1ri0 s PHE 17 CO 0.15 -0.90 0.36 0.00 -0.10 0.00 0.00 175.22 174.74 1ri0 s ALA 18 N 2.89 3.68 -0.01 5.36 0.00 0.31 -1.66 121.76 132.33 1ri0 s ALA 18 Ca 0.23 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.96 1ri0 s ALA 18 Cb -0.14 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1ri0 s ALA 18 CO 0.19 0.39 -0.21 0.21 0.00 0.00 0.00 175.76 176.34 1ri0 s LYS 19 N -0.65 1.69 0.12 0.00 2.20 -0.81 0.24 119.74 122.53 1ri0 s LYS 19 Ca 0.22 -0.78 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 1ri0 s LYS 19 Cb -0.15 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.48 1ri0 s LYS 19 CO 0.10 0.45 -0.13 1.41 -0.36 0.00 0.00 175.35 176.83 1ri0 s MET 20 N -0.57 1.01 0.11 4.03 -2.45 -1.06 -4.87 119.30 115.50 1ri0 s MET 20 Ca 0.08 -1.27 -0.33 0.00 -1.25 0.00 0.00 55.69 52.92 1ri0 s MET 20 Cb -0.08 -0.79 -0.13 0.00 1.25 0.00 0.00 34.83 35.08 1ri0 s MET 20 CO -0.01 0.14 1.71 1.17 1.05 0.00 0.00 175.02 179.09 1ri0 n LYS 21 N 0.38 2.36 0.00 4.11 3.00 -1.26 0.23 118.16 126.99 1ri0 n LYS 21 Ca -0.14 0.86 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 1ri0 n LYS 21 Cb 0.58 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.93 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 3.86 2.84 3.33 3.14 0.00 -1.26 -4.98 105.19 112.11 1ri0 n GLY 22 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.94 2.74 0.83 1.61 5.04 0.14 -5.12 117.35 120.64 1ri0 s TYR 23 Ca 0.00 -0.75 -0.12 0.00 -2.44 0.00 0.00 57.07 53.77 1ri0 s TYR 23 Cb 0.00 -1.80 0.09 0.00 0.35 0.00 0.00 41.96 40.60 1ri0 s TYR 23 CO 0.00 -0.26 1.11 -1.25 -1.34 0.00 0.00 175.55 173.81 1ri0 s PRO 24 N 0.32 1.82 0.02 4.97 0.04 -1.26 -2.56 135.00 138.35 1ri0 s PRO 24 Ca -0.13 0.54 -0.39 0.00 0.04 0.00 0.00 61.00 61.06 1ri0 s PRO 24 Cb -0.16 -1.90 -0.20 0.00 0.04 0.00 0.00 34.50 32.28 1ri0 s PRO 24 CO 0.07 -1.78 1.04 0.72 0.04 0.00 0.00 177.00 177.08 1ri0 n HIS 25 N -3.53 0.60 -3.90 0.56 8.25 -1.26 -4.59 115.22 111.35 1ri0 n HIS 25 Ca 0.07 1.03 -0.11 0.00 -0.26 0.00 0.00 57.72 58.45 1ri0 n HIS 25 Cb 0.57 -2.09 -0.13 0.00 1.12 0.00 0.00 29.99 29.46 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 -0.06 0.07 -0.42 4.41 -0.11 0.14 -4.51 118.94 118.45 1ri0 s TRP 26 Ca 0.88 -0.15 -0.29 0.00 1.22 0.00 0.00 56.10 57.77 1ri0 s TRP 26 Cb -1.22 -0.06 0.01 0.00 -1.50 0.00 0.00 33.47 30.70 1ri0 s TRP 26 CO 0.56 -0.07 1.42 -1.25 -4.62 0.00 0.00 176.95 172.99 1ri0 s PRO 27 N -0.47 3.55 0.13 5.86 0.04 -1.26 0.11 135.00 142.96 1ri0 s PRO 27 Ca -0.05 0.90 0.05 0.00 0.04 0.00 0.00 61.00 61.94 1ri0 s PRO 27 Cb -0.03 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1ri0 s PRO 27 CO -0.00 -1.60 -0.13 0.00 0.04 0.00 0.00 177.00 175.31 1ri0 s ALA 28 N 5.51 1.50 0.27 8.56 0.00 -0.73 -2.50 121.76 134.37 1ri0 s ALA 28 Ca 0.61 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1ri0 s ALA 28 Cb -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1ri0 s ALA 28 CO 0.32 0.04 0.44 -0.98 0.00 0.00 0.00 175.76 175.57 1ri0 s ARG 29 N -3.04 3.48 0.10 0.00 1.70 0.74 -2.39 118.95 119.54 1ri0 s ARG 29 Ca 0.12 -0.48 -0.13 0.00 -0.47 0.00 0.00 55.73 54.76 1ri0 s ARG 29 Cb -0.02 -2.79 -0.06 0.00 -0.57 0.00 0.00 34.95 31.50 1ri0 s ARG 29 CO 0.02 0.32 0.48 -1.50 -1.08 0.00 0.00 175.30 173.55 1ri0 s ILE 30 N -2.06 4.96 -0.04 4.99 -1.16 0.06 -0.85 121.20 127.09 1ri0 s ILE 30 Ca 0.37 0.72 -0.24 0.00 -0.51 0.00 0.00 60.65 60.99 1ri0 s ILE 30 Cb -0.10 -3.71 0.05 0.00 0.61 0.00 0.00 42.46 39.31 1ri0 s ILE 30 CO 0.32 0.32 0.53 -1.81 -2.81 0.00 0.00 174.94 171.49 1ri0 s ASP 31 N -1.61 -0.48 0.15 4.50 1.01 0.74 -3.60 116.67 117.39 1ri0 s ASP 31 Ca 0.34 0.49 -0.01 0.00 0.71 0.00 0.00 52.55 54.08 1ri0 s ASP 31 Cb -0.15 0.48 -0.04 0.00 1.01 0.00 0.00 42.92 44.21 1ri0 s ASP 31 CO 0.18 -0.53 0.34 -0.70 0.21 0.00 0.00 175.17 174.67 1ri0 s GLU 32 N -1.18 3.52 -0.32 8.23 2.12 -1.26 -0.12 118.70 129.70 1ri0 s GLU 32 Ca -0.12 -0.32 -0.29 0.00 0.36 0.00 0.00 54.97 54.60 1ri0 s GLU 32 Cb -0.02 -2.90 -0.00 0.00 0.26 0.00 0.00 34.13 31.47 1ri0 s GLU 32 CO 0.07 0.47 1.41 1.41 -0.54 0.00 0.00 175.26 178.09 1ri0 s MET 33 N -2.97 3.78 0.86 4.30 1.75 -1.26 -4.76 119.30 121.01 1ri0 s MET 33 Ca 0.38 1.25 -0.12 0.00 -1.25 0.00 0.00 55.69 55.95 1ri0 s MET 33 Cb -0.12 -3.96 0.11 0.00 2.84 0.00 0.00 34.83 33.70 1ri0 s MET 33 CO 0.28 -1.30 1.12 -1.25 -0.65 0.00 0.00 175.02 173.22 1ri0 s PRO 34 N 4.52 1.54 -0.17 4.11 0.04 -1.26 -4.63 135.00 139.15 1ri0 s PRO 34 Ca 0.61 0.44 0.15 0.00 0.04 0.00 0.00 61.00 62.24 1ri0 s PRO 34 Cb -0.18 -1.87 0.43 0.00 0.04 0.00 0.00 34.50 32.92 1ri0 s PRO 34 CO 0.27 -1.95 1.20 -0.85 0.04 0.00 0.00 177.00 175.71 1ri0 n GLU 35 N -3.62 1.40 0.00 4.56 0.28 -1.25 -3.02 120.64 118.99 1ri0 n GLU 35 Ca 0.07 -3.08 0.00 0.00 -0.16 0.00 0.00 57.16 53.99 1ri0 n GLU 35 Cb 0.58 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.17 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 -0.64 0.00 -0.34 -1.84 0.00 -1.26 -4.61 120.51 111.82 1ri0 n ALA 36 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1ri0 n ALA 36 Cb 0.84 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.54 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 -3.00 0.43 -2.47 0.00 0.00 -1.26 -4.57 120.51 109.65 1ri0 n ALA 37 Ca 0.00 1.06 -0.24 0.00 0.00 0.00 0.00 53.44 54.26 1ri0 n ALA 37 Cb 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1ri0 n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ri0 s VAL 38 N -6.04 0.56 0.34 0.00 -7.23 -1.26 -5.14 120.40 101.63 1ri0 s VAL 38 Ca -0.13 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.78 1ri0 s VAL 38 Cb 0.28 -2.41 -0.10 0.00 0.56 0.00 0.00 36.38 34.71 1ri0 s VAL 38 CO 0.76 0.00 0.96 -1.59 -0.31 0.00 0.00 175.10 174.93 1ri0 s LYS 39 N -3.72 4.50 0.26 4.82 0.00 -1.26 -3.79 119.74 120.55 1ri0 s LYS 39 Ca 0.27 1.35 -0.16 0.00 0.00 0.00 0.00 55.97 57.43 1ri0 s LYS 39 Cb 0.03 -2.73 -0.08 0.00 0.00 0.00 0.00 37.83 35.05 1ri0 s LYS 39 CO 0.16 0.19 0.70 0.45 0.00 0.00 0.00 175.35 176.86 1ri0 s SER 40 N -1.63 6.88 -0.06 0.03 0.15 -1.17 -4.81 113.70 113.09 1ri0 s SER 40 Ca 0.52 1.29 0.04 0.00 0.70 0.00 0.00 55.95 58.50 1ri0 s SER 40 Cb -0.19 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1ri0 s SER 40 CO 0.24 -0.08 -0.17 0.42 1.20 0.00 0.00 173.24 174.85 1ri0 s THR 41 N -1.74 2.80 0.69 6.45 -4.23 -1.26 -5.00 115.64 113.34 1ri0 s THR 41 Ca 0.48 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1ri0 s THR 41 Cb -0.13 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 71.71 1ri0 s THR 41 CO 0.19 0.58 0.97 0.00 -0.54 0.00 0.00 174.62 175.81 1ri0 s ALA 42 N -0.46 3.48 -1.29 3.99 0.00 -1.26 -4.41 121.76 121.81 1ri0 s ALA 42 Ca 0.05 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 1ri0 s ALA 42 Cb -0.12 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.75 1ri0 s ALA 42 CO 0.02 -1.30 1.08 0.09 0.00 0.00 0.00 175.76 175.64 1ri0 n ASN 43 N -2.80 -4.19 -3.60 0.00 3.02 -1.26 -4.97 115.26 101.45 1ri0 n ASN 43 Ca 0.11 -0.59 -0.07 0.00 -0.03 0.00 0.00 54.58 54.00 1ri0 n ASN 43 Cb 0.60 -5.01 -0.04 0.00 -0.61 0.00 0.00 39.78 34.72 1ri0 n ASN 43 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ri0 s LYS 44 N -5.88 0.38 -0.05 3.52 0.00 -1.26 -5.12 119.74 111.33 1ri0 s LYS 44 Ca 0.30 0.07 0.03 0.00 0.00 0.00 0.00 55.97 56.36 1ri0 s LYS 44 Cb -0.13 0.18 0.01 0.00 0.00 0.00 0.00 37.83 37.88 1ri0 s LYS 44 CO 0.74 -0.12 -0.11 -0.47 0.00 0.00 0.00 175.35 175.38 1ri0 s TYR 45 N -1.21 1.29 0.23 1.78 6.14 -0.75 -4.74 117.35 120.08 1ri0 s TYR 45 Ca 0.03 -0.42 -0.30 0.00 0.64 0.00 0.00 57.07 57.03 1ri0 s TYR 45 Cb -0.01 -0.94 -0.09 0.00 0.42 0.00 0.00 41.96 41.35 1ri0 s TYR 45 CO -0.03 -0.20 0.98 -1.14 0.64 0.00 0.00 175.55 175.79 1ri0 s GLN 46 N 0.47 4.80 -0.04 4.97 0.74 0.83 -1.53 119.66 129.90 1ri0 s GLN 46 Ca -0.10 1.55 0.02 0.00 0.05 0.00 0.00 55.36 56.88 1ri0 s GLN 46 Cb -0.13 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.71 1ri0 s GLN 46 CO 0.02 0.42 -0.09 0.08 -0.55 0.00 0.00 175.29 175.17 1ri0 s VAL 47 N -1.01 0.86 -0.35 1.34 1.01 -0.65 -0.18 120.40 121.41 1ri0 s VAL 47 Ca 0.43 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1ri0 s VAL 47 Cb -0.27 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1ri0 s VAL 47 CO 0.33 0.28 0.14 0.12 0.00 0.00 0.00 175.10 175.98 1ri0 s PHE 48 N 0.51 3.25 -0.11 5.22 2.19 -0.03 0.38 117.98 129.38 1ri0 s PHE 48 Ca -0.09 -1.22 -0.30 0.00 0.33 0.00 0.00 56.93 55.66 1ri0 s PHE 48 Cb -0.12 -2.34 -0.01 0.00 -1.31 0.00 0.00 43.02 39.23 1ri0 s PHE 48 CO 0.01 -0.69 1.06 -0.06 1.83 0.00 0.00 175.22 177.38 1ri0 s PHE 49 N 1.47 3.40 -0.87 10.12 0.40 0.21 -0.18 117.98 132.52 1ri0 s PHE 49 Ca -0.00 1.48 0.27 0.00 -0.60 0.00 0.00 56.93 58.08 1ri0 s PHE 49 Cb -0.19 -3.26 0.86 0.00 0.51 0.00 0.00 43.02 40.94 1ri0 s PHE 49 CO 0.04 -0.53 1.71 1.19 0.70 0.00 0.00 175.22 178.33 1ri0 n PHE 50 N 5.27 0.35 0.13 0.36 3.72 -1.04 -1.01 117.46 125.24 1ri0 n PHE 50 Ca 0.10 0.10 -0.09 0.00 -0.05 0.00 0.00 57.45 57.51 1ri0 n PHE 50 Cb 0.48 -0.61 -0.05 0.00 -0.94 0.00 0.00 39.48 38.35 1ri0 n PHE 50 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1ri0 h GLY 51 N 4.79 -0.41 0.90 1.37 0.00 -1.78 -3.35 103.07 104.59 1ri0 h GLY 51 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ri0 h GLY 51 CO 0.00 -0.15 -0.87 -1.30 0.00 0.00 0.00 176.54 174.22 1ri0 n THR 52 N -5.04 0.33 -2.66 4.70 -2.24 -1.25 -4.78 114.28 103.33 1ri0 n THR 52 Ca -0.07 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1ri0 n THR 52 Cb 0.23 -0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.17 -0.68 -4.06 4.78 -0.00 -0.18 -5.05 115.22 107.86 1ri0 n HIS 53 Ca 0.02 0.22 -0.08 0.00 0.46 0.00 0.00 57.72 58.34 1ri0 n HIS 53 Cb 0.46 -2.04 -0.10 0.00 -0.12 0.00 0.00 29.99 28.19 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 -5.15 0.52 -0.07 1.57 2.02 -0.75 -4.96 118.70 111.88 1ri0 s GLU 54 Ca 0.13 -1.00 -0.04 0.00 0.02 0.00 0.00 54.97 54.08 1ri0 s GLU 54 Cb -0.06 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.26 1ri0 s GLU 54 CO 0.16 -0.08 0.09 -0.08 0.02 0.00 0.00 175.26 175.38 1ri0 s THR 55 N -2.95 4.99 0.06 3.63 -1.32 -1.26 0.64 115.64 119.42 1ri0 s THR 55 Ca -0.01 -0.10 -0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1ri0 s THR 55 Cb 0.01 -3.20 -0.04 0.00 -1.51 0.00 0.00 72.50 67.76 1ri0 s THR 55 CO -0.06 0.52 -0.04 0.00 -2.21 0.00 0.00 174.62 172.83 1ri0 s ALA 56 N -1.06 0.59 -0.03 11.08 0.00 0.16 -4.95 121.76 127.55 1ri0 s ALA 56 Ca 0.18 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1ri0 s ALA 56 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1ri0 s ALA 56 CO 0.07 -0.32 1.21 -0.59 0.00 0.00 0.00 175.76 176.14 1ri0 s PHE 57 N -3.63 3.20 0.35 0.00 -0.71 -1.26 -1.64 117.98 114.29 1ri0 s PHE 57 Ca 0.06 1.20 -0.08 0.00 -1.04 0.00 0.00 56.93 57.07 1ri0 s PHE 57 Cb 0.06 -3.44 0.02 0.00 -1.21 0.00 0.00 43.02 38.45 1ri0 s PHE 57 CO -0.08 -1.38 0.58 -0.51 -1.34 0.00 0.00 175.22 172.48 1ri0 s LEU 58 N 2.04 0.62 0.00 -1.99 1.02 -0.58 -4.95 118.68 114.84 1ri0 s LEU 58 Ca 0.57 -1.31 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1ri0 s LEU 58 Cb -0.26 1.94 0.00 0.00 0.02 0.00 0.00 46.19 47.89 1ri0 s LEU 58 CO 0.23 -1.40 0.00 0.61 0.02 0.00 0.00 176.35 175.81 1ri0 n GLY 59 N -0.54 5.65 0.12 -3.19 0.00 -1.26 -1.81 105.19 104.17 1ri0 n GLY 59 Ca -0.02 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 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 0.11 -0.19 1.61 0.13 -1.96 -2.84 132.00 128.86 1ri0 h PRO 60 Ca 0.00 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1ri0 h PRO 60 Cb 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1ri0 h PRO 60 CO 0.00 0.84 -0.04 1.57 -0.23 0.00 0.00 178.00 180.13 1ri0 h LYS 61 N 0.07 0.37 0.00 0.86 2.10 -2.02 -2.00 116.57 115.95 1ri0 h LYS 61 Ca -0.02 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1ri0 h LYS 61 Cb 1.37 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1ri0 h LYS 61 CO 0.11 0.62 0.00 -0.25 -2.00 0.00 0.00 179.45 177.94 1ri0 n ASP 62 N -4.64 0.31 -4.35 7.07 8.00 -1.22 -4.37 116.55 117.35 1ri0 n ASP 62 Ca -0.05 0.60 -0.37 0.00 0.71 0.00 0.00 54.79 55.68 1ri0 n ASP 62 Cb 0.27 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.59 1ri0 n ASP 62 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ri0 s LEU 63 N -3.73 3.61 0.07 0.64 1.43 -0.75 -1.92 118.68 118.02 1ri0 s LEU 63 Ca 0.03 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1ri0 s LEU 63 Cb 0.07 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1ri0 s LEU 63 CO 0.25 -0.14 0.01 0.12 0.23 0.00 0.00 176.35 176.83 1ri0 s PHE 64 N 1.51 3.04 0.79 0.29 5.36 -0.66 -4.81 117.98 123.50 1ri0 s PHE 64 Ca 0.04 0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 55.90 1ri0 s PHE 64 Cb -0.16 -1.58 0.07 0.00 -0.34 0.00 0.00 43.02 41.01 1ri0 s PHE 64 CO 0.02 0.48 1.10 -1.25 -1.46 0.00 0.00 175.22 174.10 1ri0 s PRO 65 N -2.18 2.11 0.01 10.12 0.04 -1.26 -2.10 135.00 141.75 1ri0 s PRO 65 Ca 0.25 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 1ri0 s PRO 65 Cb -0.12 -1.92 -0.33 0.00 0.04 0.00 0.00 34.50 32.17 1ri0 s PRO 65 CO 0.17 -1.60 0.92 -0.92 0.04 0.00 0.00 177.00 175.61 1ri0 h TYR 66 N -1.07 0.83 -0.25 0.56 3.20 -1.98 -2.79 116.97 115.46 1ri0 h TYR 66 Ca -0.47 -0.60 0.06 0.00 3.14 0.00 0.00 58.73 60.86 1ri0 h TYR 66 Cb 1.27 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.44 1ri0 h TYR 66 CO 0.47 1.55 -0.14 0.93 -1.64 0.00 0.00 178.16 179.33 1ri0 h GLU 67 N 0.12 -0.11 -0.22 1.82 3.07 -1.97 0.81 114.58 118.10 1ri0 h GLU 67 Ca -0.27 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.50 1ri0 h GLU 67 Cb 2.12 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 30.05 1ri0 h GLU 67 CO 0.24 -0.07 -0.32 0.93 -1.40 0.00 0.00 179.01 178.38 1ri0 h GLU 68 N -0.12 0.45 0.16 2.33 5.08 -1.98 -0.85 114.58 119.65 1ri0 h GLU 68 Ca 0.14 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ri0 h GLU 68 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ri0 h GLU 68 CO -0.33 0.72 -0.08 0.66 -1.00 0.00 0.00 179.01 178.99 1ri0 h SER 69 N 0.39 -0.18 0.60 1.42 4.64 -0.89 -1.91 113.55 117.62 1ri0 h SER 69 Ca 0.05 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1ri0 h SER 69 Cb 0.75 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1ri0 h SER 69 CO 0.06 0.07 0.00 2.29 -0.87 0.00 0.00 176.83 178.37 1ri0 n LYS 70 N -5.09 0.15 -0.03 4.77 2.85 0.27 0.36 118.16 121.45 1ri0 n LYS 70 Ca -0.09 0.42 -0.16 0.00 -1.05 0.00 0.00 58.31 57.43 1ri0 n LYS 70 Cb 0.19 -1.81 -0.09 0.00 -0.65 0.00 0.00 35.03 32.67 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 0.46 0.00 -1.58 4.81 -0.40 -3.42 114.58 114.45 1ri0 h GLU 71 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1ri0 h GLU 71 Cb 0.30 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1ri0 h GLU 71 CO 0.00 1.02 -0.06 0.36 -0.73 0.00 0.00 179.01 179.60 1ri0 n LYS 72 N -4.28 0.03 0.00 1.92 2.85 -0.86 -5.08 118.16 112.75 1ri0 n LYS 72 Ca -0.08 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1ri0 n LYS 72 Cb 0.58 -0.41 0.00 0.00 -0.65 0.00 0.00 35.03 34.55 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 -2.65 0.00 -0.89 5.58 3.01 0.16 -5.00 117.46 117.67 1ri0 n PHE 73 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1ri0 n PHE 73 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 1.89 0.44 3.10 1.37 0.00 -0.25 -3.95 105.19 107.79 1ri0 n GLY 74 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.63 2.26 1.02 1.61 1.02 -1.26 -4.89 119.74 118.88 1ri0 s LYS 75 Ca 0.00 -2.18 -0.16 0.00 0.02 0.00 0.00 55.97 53.65 1ri0 s LYS 75 Cb 0.00 -3.64 0.20 0.00 -0.52 0.00 0.00 37.83 33.87 1ri0 s LYS 75 CO 0.00 -1.12 1.19 -1.25 -0.92 0.00 0.00 175.35 173.25 1ri0 s PRO 76 N 0.53 0.25 -0.26 -1.68 0.04 -1.26 -4.89 135.00 127.73 1ri0 s PRO 76 Ca 0.13 -0.05 -0.39 0.00 0.04 0.00 0.00 61.00 60.73 1ri0 s PRO 76 Cb -0.22 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 1ri0 s PRO 76 CO -0.04 -2.74 1.82 0.09 0.04 0.00 0.00 177.00 176.18 1ri0 n ASN 77 N -4.07 2.56 -4.15 6.66 3.02 -1.26 -4.76 115.26 113.25 1ri0 n ASN 77 Ca 0.11 0.99 -0.36 0.00 -0.03 0.00 0.00 54.58 55.29 1ri0 n ASN 77 Cb 0.59 -1.19 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1ri0 n ASN 77 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ri0 n LYS 78 N 5.92 1.77 -1.44 3.52 3.00 -1.26 -4.80 118.16 124.87 1ri0 n LYS 78 Ca 0.27 -2.30 -0.12 0.00 -0.00 0.00 0.00 58.31 56.17 1ri0 n LYS 78 Cb 0.17 -3.36 0.07 0.00 0.00 0.00 0.00 35.03 31.91 1ri0 n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ri0 n ARG 79 N 7.66 0.06 0.10 1.64 5.12 -1.26 -4.91 116.66 125.07 1ri0 n ARG 79 Ca 0.48 -1.27 -0.04 0.00 -1.93 0.00 0.00 57.85 55.08 1ri0 n ARG 79 Cb 0.44 -0.40 -0.02 0.00 -1.16 0.00 0.00 32.46 31.31 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 -0.26 0.00 5.56 3.64 -2.01 -2.33 116.57 121.17 1ri0 h LYS 80 Ca -0.17 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1ri0 h LYS 80 Cb 0.60 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1ri0 h LYS 80 CO 0.17 -0.18 0.00 0.41 -2.27 0.00 0.00 179.45 177.58 1ri0 n GLY 81 N -0.34 -0.75 0.17 5.01 0.00 -1.26 -1.02 105.19 106.99 1ri0 n GLY 81 Ca -0.03 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 0.73 0.21 1.61 3.04 -1.82 -1.00 116.94 119.71 1ri0 h PHE 82 Ca 0.00 -0.40 -0.01 0.00 3.98 0.00 0.00 57.97 61.54 1ri0 h PHE 82 Cb 0.00 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.43 1ri0 h PHE 82 CO 0.00 1.23 -0.10 1.03 -2.02 0.00 0.00 178.31 178.45 1ri0 h SER 83 N 0.27 -0.24 -0.70 0.41 0.87 -0.52 -1.09 113.55 112.56 1ri0 h SER 83 Ca -0.10 -0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1ri0 h SER 83 Cb 1.62 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.60 1ri0 h SER 83 CO 0.18 0.28 0.46 1.05 -0.53 0.00 0.00 176.83 178.27 1ri0 h GLU 84 N -1.01 0.72 0.17 2.24 4.11 -1.63 0.26 114.58 119.44 1ri0 h GLU 84 Ca -0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1ri0 h GLU 84 Cb 0.39 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ri0 h GLU 84 CO 0.05 0.47 -0.08 0.78 0.07 0.00 0.00 179.01 180.30 1ri0 h GLY 85 N 0.74 -0.24 2.00 1.06 0.00 -1.24 1.49 103.07 106.87 1ri0 h GLY 85 Ca 0.30 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1ri0 h GLY 85 CO -0.10 -0.09 -0.06 -2.00 0.00 0.00 0.00 176.54 174.30 1ri0 h LEU 86 N -0.61 0.00 0.00 3.11 7.12 -0.73 0.16 115.31 124.36 1ri0 h LEU 86 Ca -0.02 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.92 1ri0 h LEU 86 Cb 0.45 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1ri0 h LEU 86 CO 0.04 0.06 -0.85 -0.25 -0.13 0.00 0.00 178.44 177.31 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -0.30 -1.94 115.95 117.87 1ri0 h TRP 87 Ca -0.00 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 1ri0 h TRP 87 Cb 0.10 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 1ri0 h TRP 87 CO 0.00 0.24 -0.32 0.93 -1.03 0.00 0.00 178.44 178.25 1ri0 h GLU 88 N 0.00 0.00 0.04 2.65 4.39 0.50 1.53 114.58 123.69 1ri0 h GLU 88 Ca -0.04 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.28 1ri0 h GLU 88 Cb 1.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 1ri0 h GLU 88 CO 0.02 0.32 -2.18 1.51 -1.16 0.00 0.00 179.01 177.52 1ri0 n ILE 89 N -3.86 1.59 -0.00 3.13 0.00 -0.74 -2.97 119.36 116.50 1ri0 n ILE 89 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 62.75 62.17 1ri0 n ILE 89 Cb 0.40 -1.69 0.06 0.00 0.00 0.00 0.00 39.64 38.41 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 -0.33 0.56 -2.22 9.51 4.39 -1.33 -3.35 114.58 121.81 1ri0 h GLU 90 Ca -0.53 -0.34 -0.58 0.00 0.34 0.00 0.00 59.36 58.25 1ri0 h GLU 90 Cb 1.79 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 30.08 1ri0 h GLU 90 CO -0.13 0.94 -0.91 0.09 -1.16 0.00 0.00 179.01 177.84 1ri0 n ASN 91 N -3.98 1.14 -4.81 1.42 3.02 0.52 -5.04 115.26 107.55 1ri0 n ASN 91 Ca -0.03 -2.85 -0.34 0.00 -0.03 0.00 0.00 54.58 51.33 1ri0 n ASN 91 Cb 0.58 -0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.27 6.85 0.24 6.41 4.22 -1.16 -4.33 114.94 125.90 1ri0 s ASN 92 Ca 0.35 1.78 0.11 0.00 -2.14 0.00 0.00 52.86 52.96 1ri0 s ASN 92 Cb 0.12 -2.55 0.21 0.00 1.28 0.00 0.00 41.25 40.31 1ri0 s ASN 92 CO -0.11 -0.43 1.52 1.55 -2.04 0.00 0.00 177.10 177.59 1ri0 h PRO 93 N 2.03 0.00 -3.45 3.55 0.13 -1.92 -3.38 132.00 128.96 1ri0 h PRO 93 Ca -0.49 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.99 1ri0 h PRO 93 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 1ri0 h PRO 93 CO 0.61 0.70 -0.60 0.99 -0.23 0.00 0.00 178.00 179.47 1ri0 s THR 94 N -3.31 2.71 0.17 1.56 2.01 -1.26 -5.08 115.64 112.44 1ri0 s THR 94 Ca -0.00 -3.25 0.03 0.00 0.31 0.00 0.00 61.69 58.78 1ri0 s THR 94 Cb 0.11 -2.87 0.03 0.00 0.01 0.00 0.00 72.50 69.78 1ri0 s THR 94 CO 0.77 -0.80 0.24 0.55 -0.69 0.00 0.00 174.62 174.68 1ri0 n VAL 95 N 3.19 0.00 0.00 3.82 3.14 -1.26 -5.02 118.33 122.20 1ri0 n VAL 95 Ca 0.05 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1ri0 n VAL 95 Cb 0.33 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 1ri0 n VAL 95 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1ri0 n LYS 96 N -1.37 0.00 -2.63 1.45 -0.00 -1.26 -5.04 118.16 109.30 1ri0 n LYS 96 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.93 1ri0 n LYS 96 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.20 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ri0 s ALA 97 N -1.24 3.27 0.40 0.58 0.00 -1.26 -4.97 121.76 118.55 1ri0 s ALA 97 Ca 0.00 -2.83 -0.24 0.00 0.00 0.00 0.00 51.96 48.90 1ri0 s ALA 97 Cb 0.00 -4.54 -0.12 0.00 0.00 0.00 0.00 23.12 18.46 1ri0 s ALA 97 CO 0.00 -3.29 0.78 0.43 0.00 0.00 0.00 175.76 173.68 1ri0 n SER 98 N 8.11 0.20 0.00 0.00 7.64 -1.26 -4.95 113.62 123.35 1ri0 n SER 98 Ca 0.43 0.99 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1ri0 n SER 98 Cb 0.47 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ri0 n GLY 99 N 1.49 -0.77 0.00 0.23 0.00 -1.26 -5.10 105.19 99.78 1ri0 n GLY 99 Ca 0.11 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30