#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 -0.36 0.53 7.83 0.01 -1.26 -4.87 113.70 115.57 1ri0 s SER 2 Ca 0.00 0.69 -0.06 0.00 1.31 0.00 0.00 55.95 57.89 1ri0 s SER 2 Cb 0.00 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 1ri0 s SER 2 CO 0.00 -0.18 0.84 0.00 0.41 0.00 0.00 173.24 174.31 1ri0 s ARG 3 N 1.36 3.34 0.22 12.44 3.03 -1.26 -5.10 118.95 132.98 1ri0 s ARG 3 Ca -0.09 0.18 0.09 0.00 2.03 0.00 0.00 55.73 57.93 1ri0 s ARG 3 Cb -0.10 -2.32 -0.04 0.00 -1.03 0.00 0.00 34.95 31.46 1ri0 s ARG 3 CO -0.10 -0.40 -0.04 -1.54 -1.13 0.00 0.00 175.30 172.08 1ri0 s SER 4 N -4.18 4.44 0.88 -2.89 1.04 -1.26 -5.13 113.70 106.60 1ri0 s SER 4 Ca 0.50 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 56.21 1ri0 s SER 4 Cb -0.10 -0.81 0.15 0.00 0.10 0.00 0.00 66.02 65.35 1ri0 s SER 4 CO 0.46 0.06 1.24 0.54 0.98 0.00 0.00 173.24 176.51 1ri0 s ASN 5 N -3.22 3.75 0.46 7.02 4.22 -1.26 -5.10 114.94 120.81 1ri0 s ASN 5 Ca 0.28 0.41 0.02 0.00 -2.14 0.00 0.00 52.86 51.43 1ri0 s ASN 5 Cb -0.08 -0.65 0.02 0.00 1.28 0.00 0.00 41.25 41.82 1ri0 s ASN 5 CO 0.18 -2.34 0.18 -2.11 -2.04 0.00 0.00 177.10 170.97 1ri0 n ARG 6 N -3.51 0.85 -0.07 3.55 0.00 -1.26 -5.08 116.66 111.15 1ri0 n ARG 6 Ca 0.12 -3.11 -0.11 0.00 -0.00 0.00 0.00 57.85 54.76 1ri0 n ARG 6 Cb 0.60 0.58 -0.06 0.00 -0.00 0.00 0.00 32.46 33.59 1ri0 n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ri0 n GLN 7 N -1.37 0.32 0.00 2.89 0.00 -1.26 -4.92 117.38 113.04 1ri0 n GLN 7 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 57.00 56.99 1ri0 n GLN 7 Cb 0.55 -1.19 0.00 0.00 0.00 0.00 0.00 30.24 29.60 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 -3.09 0.00 -2.09 2.61 0.00 -1.26 -4.78 118.16 109.55 1ri0 n LYS 8 Ca -0.25 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.64 1ri0 n LYS 8 Cb 0.74 -0.44 -0.03 0.00 -0.00 0.00 0.00 35.03 35.30 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 -1.04 3.91 0.32 -1.58 4.04 -1.26 -4.98 118.70 118.11 1ri0 s GLU 9 Ca 0.00 1.82 0.05 0.00 0.04 0.00 0.00 54.97 56.88 1ri0 s GLU 9 Cb 0.00 -4.01 -0.06 0.00 0.02 0.00 0.00 34.13 30.07 1ri0 s GLU 9 CO 0.00 -1.15 0.02 1.52 -1.84 0.00 0.00 175.26 173.81 1ri0 s TYR 10 N 4.85 2.03 0.11 4.83 -0.85 -1.26 -4.67 117.35 122.40 1ri0 s TYR 10 Ca 0.72 -0.85 -0.14 0.00 -0.52 0.00 0.00 57.07 56.27 1ri0 s TYR 10 Cb -0.27 -1.31 0.02 0.00 0.38 0.00 0.00 41.96 40.79 1ri0 s TYR 10 CO 0.29 0.13 0.34 0.15 -1.52 0.00 0.00 175.55 174.94 1ri0 s LYS 11 N -3.83 1.00 -0.01 -3.49 -0.14 -1.26 -5.06 119.74 106.96 1ri0 s LYS 11 Ca 0.34 -0.78 -0.39 0.00 -1.36 0.00 0.00 55.97 53.79 1ri0 s LYS 11 Cb 0.08 0.43 -0.18 0.00 -1.68 0.00 0.00 37.83 36.48 1ri0 s LYS 11 CO 0.15 -0.37 1.31 0.00 -0.76 0.00 0.00 175.35 175.68 1ri0 n GLY 13 N 2.45 3.19 3.38 0.00 0.00 -1.01 -5.00 105.19 108.20 1ri0 n GLY 13 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1ri0 n GLY 13 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ri0 n ASP 14 N 0.00 -2.05 -3.86 1.61 2.03 0.14 -4.64 116.55 109.79 1ri0 n ASP 14 Ca 0.00 -0.12 -0.18 0.00 0.52 0.00 0.00 54.79 55.00 1ri0 n ASP 14 Cb 0.00 -1.11 -0.16 0.00 -0.72 0.00 0.00 41.12 39.13 1ri0 n ASP 14 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ri0 s LEU 15 N -4.13 1.26 0.34 -2.67 1.98 -1.26 -0.86 118.68 113.34 1ri0 s LEU 15 Ca 0.62 -0.08 -0.07 0.00 -2.89 0.00 0.00 54.13 51.71 1ri0 s LEU 15 Cb -0.19 -0.33 0.01 0.00 0.66 0.00 0.00 46.19 46.35 1ri0 s LEU 15 CO 0.66 -0.07 0.55 0.54 -1.89 0.00 0.00 176.35 176.14 1ri0 s VAL 16 N 0.94 0.00 -0.36 1.68 0.11 -1.01 -4.98 120.40 116.78 1ri0 s VAL 16 Ca -0.11 -1.43 -0.19 0.00 -2.93 0.00 0.00 61.98 57.32 1ri0 s VAL 16 Cb -0.14 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 1ri0 s VAL 16 CO -0.01 0.00 0.57 -0.36 -3.33 0.00 0.00 175.10 171.97 1ri0 s PHE 17 N -2.99 3.16 0.00 1.54 0.08 -0.89 -1.79 117.98 117.09 1ri0 s PHE 17 Ca 0.26 0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.47 1ri0 s PHE 17 Cb -0.02 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.35 1ri0 s PHE 17 CO 0.17 -0.60 0.24 0.00 -0.10 0.00 0.00 175.22 174.93 1ri0 s ALA 18 N 2.54 3.88 -0.03 5.36 0.00 0.18 -1.14 121.76 132.55 1ri0 s ALA 18 Ca 0.21 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.60 1ri0 s ALA 18 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1ri0 s ALA 18 CO 0.14 0.67 -0.21 0.21 0.00 0.00 0.00 175.76 176.58 1ri0 s LYS 19 N -1.79 1.87 0.08 0.00 2.20 -0.72 0.39 119.74 121.77 1ri0 s LYS 19 Ca 0.27 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 55.18 1ri0 s LYS 19 Cb -0.13 -1.72 -0.03 0.00 -1.51 0.00 0.00 37.83 34.44 1ri0 s LYS 19 CO 0.16 0.40 -0.13 1.41 -0.36 0.00 0.00 175.35 176.84 1ri0 s MET 20 N -0.33 0.83 0.01 4.03 -2.45 -1.06 -4.89 119.30 115.44 1ri0 s MET 20 Ca 0.04 -1.02 -0.34 0.00 -1.25 0.00 0.00 55.69 53.12 1ri0 s MET 20 Cb -0.10 -0.73 -0.12 0.00 1.25 0.00 0.00 34.83 35.13 1ri0 s MET 20 CO 0.01 0.15 1.78 1.17 1.05 0.00 0.00 175.02 179.18 1ri0 n LYS 21 N 1.05 2.23 0.00 4.11 0.00 -1.26 0.48 118.16 124.77 1ri0 n LYS 21 Ca -0.20 0.81 0.00 0.00 0.00 0.00 0.00 58.31 58.93 1ri0 n LYS 21 Cb 0.55 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 32.94 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 4.08 3.17 3.46 3.14 0.00 -1.26 -4.99 105.19 112.79 1ri0 n GLY 22 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1ri0 n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ri0 s TYR 23 N -1.73 2.88 1.04 1.61 5.04 0.18 -5.12 117.35 121.25 1ri0 s TYR 23 Ca 0.00 -0.36 -0.16 0.00 -2.44 0.00 0.00 57.07 54.11 1ri0 s TYR 23 Cb 0.00 -1.82 0.22 0.00 0.35 0.00 0.00 41.96 40.70 1ri0 s TYR 23 CO 0.00 -0.01 1.20 -1.25 -1.34 0.00 0.00 175.55 174.15 1ri0 s PRO 24 N -0.01 0.08 -0.33 4.97 0.04 -1.26 -2.56 135.00 135.94 1ri0 s PRO 24 Ca -0.02 -0.11 -0.35 0.00 0.04 0.00 0.00 61.00 60.56 1ri0 s PRO 24 Cb -0.14 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1ri0 s PRO 24 CO 0.03 -2.83 2.15 0.72 0.04 0.00 0.00 177.00 177.11 1ri0 n HIS 25 N -4.13 1.67 -5.01 0.56 8.25 -1.26 -4.47 115.22 110.83 1ri0 n HIS 25 Ca 0.12 0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 57.55 1ri0 n HIS 25 Cb 0.59 -2.54 -0.15 0.00 1.12 0.00 0.00 29.99 29.02 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 6.91 2.40 -0.36 4.41 -0.11 0.16 -4.65 118.94 127.70 1ri0 s TRP 26 Ca 1.08 -0.37 -0.29 0.00 1.22 0.00 0.00 56.10 57.74 1ri0 s TRP 26 Cb -0.86 -1.47 0.01 0.00 -1.50 0.00 0.00 33.47 29.65 1ri0 s TRP 26 CO 0.50 0.09 1.38 -1.25 -4.62 0.00 0.00 176.95 173.06 1ri0 s PRO 27 N -0.99 3.70 0.19 5.86 0.04 -1.26 0.50 135.00 143.04 1ri0 s PRO 27 Ca 0.12 1.07 0.08 0.00 0.04 0.00 0.00 61.00 62.31 1ri0 s PRO 27 Cb -0.10 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1ri0 s PRO 27 CO 0.01 -1.40 -0.16 0.00 0.04 0.00 0.00 177.00 175.49 1ri0 s ALA 28 N 5.05 2.05 -0.10 8.56 0.00 -0.74 -2.51 121.76 134.07 1ri0 s ALA 28 Ca 0.60 -1.60 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1ri0 s ALA 28 Cb -0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1ri0 s ALA 28 CO 0.29 0.15 0.18 0.50 0.00 0.00 0.00 175.76 176.88 1ri0 s ARG 29 N -3.28 3.51 0.46 0.00 3.52 0.11 -2.41 118.95 120.87 1ri0 s ARG 29 Ca 0.20 -0.05 -0.21 0.00 -0.13 0.00 0.00 55.73 55.54 1ri0 s ARG 29 Cb -0.03 -3.20 -0.09 0.00 -1.56 0.00 0.00 34.95 30.08 1ri0 s ARG 29 CO 0.07 0.77 1.04 -1.50 -0.81 0.00 0.00 175.30 174.87 1ri0 s ILE 30 N -1.04 3.77 0.01 4.11 -1.16 -0.04 -0.03 121.20 126.83 1ri0 s ILE 30 Ca 0.16 1.16 -0.29 0.00 -0.51 0.00 0.00 60.65 61.18 1ri0 s ILE 30 Cb -0.13 -3.51 0.07 0.00 0.61 0.00 0.00 42.46 39.51 1ri0 s ILE 30 CO 0.05 -0.18 0.66 -1.81 -2.81 0.00 0.00 174.94 170.86 1ri0 s ASP 31 N -1.87 -0.63 0.28 4.50 1.11 0.20 -2.40 116.67 117.86 1ri0 s ASP 31 Ca 0.65 0.49 0.03 0.00 0.18 0.00 0.00 52.55 53.90 1ri0 s ASP 31 Cb -0.18 0.56 -0.03 0.00 1.07 0.00 0.00 42.92 44.34 1ri0 s ASP 31 CO 0.22 -0.72 0.43 -0.70 1.18 0.00 0.00 175.17 175.58 1ri0 s GLU 32 N -1.99 3.46 -0.30 8.23 2.12 -1.26 -0.82 118.70 128.14 1ri0 s GLU 32 Ca -0.07 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 1ri0 s GLU 32 Cb -0.00 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 1ri0 s GLU 32 CO 0.03 0.33 1.46 -1.64 -0.54 0.00 0.00 175.26 174.89 1ri0 s MET 33 N -4.05 3.76 0.96 4.30 -1.94 -1.26 -4.68 119.30 116.40 1ri0 s MET 33 Ca 0.37 1.32 -0.14 0.00 -1.71 0.00 0.00 55.69 55.52 1ri0 s MET 33 Cb -0.09 -3.98 0.17 0.00 2.01 0.00 0.00 34.83 32.94 1ri0 s MET 33 CO 0.32 -1.32 1.16 -1.25 -0.01 0.00 0.00 175.02 173.91 1ri0 s PRO 34 N 4.60 0.71 -0.17 2.03 0.04 -1.26 -4.99 135.00 135.95 1ri0 s PRO 34 Ca 0.64 0.12 0.21 0.00 0.04 0.00 0.00 61.00 62.01 1ri0 s PRO 34 Cb -0.19 -1.80 0.43 0.00 0.04 0.00 0.00 34.50 32.98 1ri0 s PRO 34 CO 0.28 -2.46 1.18 -0.85 0.04 0.00 0.00 177.00 175.18 1ri0 n GLU 35 N -3.92 1.03 -0.01 4.56 0.28 -1.26 -4.28 120.64 117.05 1ri0 n GLU 35 Ca 0.09 -2.57 -0.02 0.00 -0.16 0.00 0.00 57.16 54.50 1ri0 n GLU 35 Cb 0.59 -0.70 -0.01 0.00 1.43 0.00 0.00 31.44 32.75 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 -0.35 1.27 -0.19 -1.84 0.00 -1.26 -4.70 120.51 113.44 1ri0 n ALA 36 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 1ri0 n ALA 36 Cb 0.91 0.04 0.06 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.06 0.73 -2.86 0.00 0.00 -2.04 -3.45 119.26 110.59 1ri0 h ALA 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1ri0 h ALA 37 Cb 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1ri0 h ALA 37 CO 0.00 0.02 -0.40 0.14 0.00 0.00 0.00 179.25 179.01 1ri0 s VAL 38 N -6.13 0.00 -0.17 0.00 -7.23 -1.26 -5.15 120.40 100.46 1ri0 s VAL 38 Ca -0.13 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 1ri0 s VAL 38 Cb 0.14 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1ri0 s VAL 38 CO 0.75 0.00 0.01 -0.54 -0.31 0.00 0.00 175.10 175.01 1ri0 s LYS 39 N -3.47 3.82 0.26 4.82 1.02 -1.26 -3.98 119.74 120.95 1ri0 s LYS 39 Ca 0.37 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.94 1ri0 s LYS 39 Cb 0.02 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1ri0 s LYS 39 CO 0.22 0.24 0.13 -1.12 -0.92 0.00 0.00 175.35 173.91 1ri0 s SER 40 N 0.41 1.04 0.51 2.83 0.01 -1.26 -5.08 113.70 112.15 1ri0 s SER 40 Ca -0.00 -1.46 0.04 0.00 1.31 0.00 0.00 55.95 55.84 1ri0 s SER 40 Cb -0.13 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1ri0 s SER 40 CO 0.02 -0.82 0.18 0.42 0.41 0.00 0.00 173.24 173.44 1ri0 s THR 41 N -3.80 1.50 -0.18 1.44 -4.23 -1.26 -4.99 115.64 104.12 1ri0 s THR 41 Ca 0.38 -1.77 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1ri0 s THR 41 Cb 0.06 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1ri0 s THR 41 CO 0.15 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.31 1ri0 s ALA 42 N -2.80 3.51 0.00 3.99 0.00 -1.26 -4.66 121.76 120.54 1ri0 s ALA 42 Ca 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1ri0 s ALA 42 Cb 0.01 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1ri0 s ALA 42 CO 0.13 0.22 0.00 0.27 0.00 0.00 0.00 175.76 176.37 1ri0 n ASN 43 N 3.39 0.00 -4.61 0.00 0.23 -1.26 -5.15 115.26 107.86 1ri0 n ASN 43 Ca -0.17 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.61 1ri0 n ASN 43 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 1ri0 n ASN 43 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ri0 s LYS 44 N 0.00 1.95 -0.01 -3.83 -2.85 -1.26 -5.09 119.74 108.64 1ri0 s LYS 44 Ca 0.00 -2.12 0.05 0.00 -1.00 0.00 0.00 55.97 52.91 1ri0 s LYS 44 Cb 0.00 -1.52 -0.03 0.00 -2.06 0.00 0.00 37.83 34.22 1ri0 s LYS 44 CO 0.00 -0.10 -0.17 -0.47 0.10 0.00 0.00 175.35 174.71 1ri0 s TYR 45 N -2.80 2.61 -0.36 1.78 6.14 -0.47 -4.74 117.35 119.50 1ri0 s TYR 45 Ca 0.32 -0.22 -0.21 0.00 0.64 0.00 0.00 57.07 57.60 1ri0 s TYR 45 Cb 0.09 -1.55 0.00 0.00 0.42 0.00 0.00 41.96 40.92 1ri0 s TYR 45 CO 0.16 0.19 0.64 -1.14 0.64 0.00 0.00 175.55 176.05 1ri0 s GLN 46 N -1.01 3.67 0.07 4.97 0.74 -0.00 -1.21 119.66 126.88 1ri0 s GLN 46 Ca 0.13 0.05 0.04 0.00 0.05 0.00 0.00 55.36 55.62 1ri0 s GLN 46 Cb -0.11 -3.81 -0.04 0.00 1.10 0.00 0.00 33.01 30.15 1ri0 s GLN 46 CO 0.02 -0.75 0.03 0.08 -0.55 0.00 0.00 175.29 174.13 1ri0 s VAL 47 N 2.73 4.25 -0.31 1.34 1.01 -0.83 0.63 120.40 129.22 1ri0 s VAL 47 Ca 0.25 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1ri0 s VAL 47 Cb -0.14 -3.02 0.09 0.00 0.00 0.00 0.00 36.38 33.31 1ri0 s VAL 47 CO 0.15 0.16 0.04 0.12 0.00 0.00 0.00 175.10 175.57 1ri0 s PHE 48 N -1.31 3.04 -0.00 5.22 2.19 0.95 -0.22 117.98 127.85 1ri0 s PHE 48 Ca 0.26 -2.49 -0.30 0.00 0.33 0.00 0.00 56.93 54.73 1ri0 s PHE 48 Cb -0.12 -2.39 -0.05 0.00 -1.31 0.00 0.00 43.02 39.14 1ri0 s PHE 48 CO 0.19 -0.91 1.39 -0.06 1.83 0.00 0.00 175.22 177.66 1ri0 s PHE 49 N 1.16 2.86 0.01 10.12 0.40 0.10 0.09 117.98 132.72 1ri0 s PHE 49 Ca 0.07 0.83 -0.20 0.00 -0.60 0.00 0.00 56.93 57.04 1ri0 s PHE 49 Cb -0.19 -3.65 -0.22 0.00 0.51 0.00 0.00 43.02 39.47 1ri0 s PHE 49 CO -0.12 -2.40 1.13 0.74 0.70 0.00 0.00 175.22 175.27 1ri0 h PHE 50 N 7.82 0.58 -0.37 0.36 0.04 -1.78 0.91 116.94 124.49 1ri0 h PHE 50 Ca -0.38 -0.29 0.07 0.00 2.80 0.00 0.00 57.97 60.17 1ri0 h PHE 50 Cb 1.18 -0.07 -0.09 0.00 2.20 0.00 0.00 35.95 39.17 1ri0 h PHE 50 CO 0.75 1.09 -0.43 0.78 -0.60 0.00 0.00 178.31 179.90 1ri0 h GLY 51 N -0.10 -0.58 1.41 -1.45 0.00 -1.74 -2.18 103.07 98.43 1ri0 h GLY 51 Ca -0.05 0.55 -0.21 0.00 0.00 0.00 0.00 47.33 47.61 1ri0 h GLY 51 CO 0.10 -0.19 -1.25 -0.91 0.00 0.00 0.00 176.54 174.30 1ri0 h THR 52 N -0.35 0.97 -2.19 4.70 1.35 -1.83 -3.44 112.91 112.13 1ri0 h THR 52 Ca 0.13 -2.61 -0.11 0.00 -0.55 0.00 0.00 66.41 63.27 1ri0 h THR 52 Cb 0.59 2.42 0.03 0.00 -1.73 0.00 0.00 68.15 69.46 1ri0 h THR 52 CO -0.55 0.55 -0.19 1.57 -0.25 0.00 0.00 175.52 176.66 1ri0 n HIS 53 N -3.11 -0.75 -4.21 4.73 -0.00 0.31 -5.05 115.22 107.14 1ri0 n HIS 53 Ca -0.08 0.25 -0.16 0.00 0.46 0.00 0.00 57.72 58.20 1ri0 n HIS 53 Cb 0.91 -2.10 -0.11 0.00 -0.12 0.00 0.00 29.99 28.58 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 -5.25 0.93 -0.38 1.57 0.41 -0.61 -4.93 118.70 110.43 1ri0 s GLU 54 Ca 0.15 -1.20 -0.18 0.00 -0.41 0.00 0.00 54.97 53.32 1ri0 s GLU 54 Cb -0.06 -0.71 0.01 0.00 -1.78 0.00 0.00 34.13 31.59 1ri0 s GLU 54 CO 0.18 0.12 0.49 0.99 -0.49 0.00 0.00 175.26 176.56 1ri0 s THR 55 N -2.33 5.02 -0.07 3.63 2.01 -1.26 0.03 115.64 122.68 1ri0 s THR 55 Ca 0.07 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.16 1ri0 s THR 55 Cb -0.04 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1ri0 s THR 55 CO 0.01 -0.32 -0.13 0.00 -0.69 0.00 0.00 174.62 173.49 1ri0 s ALA 56 N 2.34 2.70 -0.38 7.40 0.00 0.69 -4.93 121.76 129.59 1ri0 s ALA 56 Ca 0.16 -0.94 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1ri0 s ALA 56 Cb -0.16 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1ri0 s ALA 56 CO 0.14 0.48 1.73 -0.59 0.00 0.00 0.00 175.76 177.52 1ri0 s PHE 57 N -0.46 1.91 0.38 0.00 -0.71 -1.26 -1.96 117.98 115.88 1ri0 s PHE 57 Ca 0.06 0.65 0.04 0.00 -1.04 0.00 0.00 56.93 56.64 1ri0 s PHE 57 Cb -0.12 -4.16 -0.03 0.00 -1.21 0.00 0.00 43.02 37.50 1ri0 s PHE 57 CO 0.02 -2.70 0.15 -0.51 -1.34 0.00 0.00 175.22 170.85 1ri0 s LEU 58 N 6.83 1.92 0.00 -1.99 1.43 -0.35 -4.95 118.68 121.57 1ri0 s LEU 58 Ca 0.75 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1ri0 s LEU 58 Cb -0.20 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.05 1ri0 s LEU 58 CO 0.32 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1ri0 n GLY 59 N -0.82 6.22 0.14 -3.19 0.00 -1.26 -1.37 105.19 104.90 1ri0 n GLY 59 Ca -0.03 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.40 1.61 0.13 -1.97 -2.77 132.00 128.99 1ri0 h PRO 60 Ca 0.00 -0.39 0.04 0.00 -0.87 0.00 0.00 66.00 64.78 1ri0 h PRO 60 Cb 0.00 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.19 1ri0 h PRO 60 CO 0.00 1.05 0.16 1.57 -0.23 0.00 0.00 178.00 180.55 1ri0 h LYS 61 N -0.11 0.33 0.00 0.86 2.10 -2.01 0.28 116.57 118.01 1ri0 h LYS 61 Ca -0.06 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1ri0 h LYS 61 Cb 1.21 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1ri0 h LYS 61 CO 0.10 0.22 0.00 -0.44 -2.00 0.00 0.00 179.45 177.33 1ri0 h ASP 62 N 0.34 0.00 -2.80 7.07 3.32 -1.90 -3.41 116.42 119.03 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 0.14 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 1ri0 h ASP 62 CO -0.17 0.00 -0.46 -0.76 -1.72 0.00 0.00 179.24 176.13 1ri0 s LEU 63 N -6.15 4.37 0.01 1.55 1.43 0.98 -1.76 118.68 119.11 1ri0 s LEU 63 Ca -0.03 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1ri0 s LEU 63 Cb 0.12 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1ri0 s LEU 63 CO 0.46 0.28 -0.04 -0.36 0.23 0.00 0.00 176.35 176.93 1ri0 s PHE 64 N -1.27 0.31 0.85 0.29 0.40 -0.29 -4.84 117.98 113.43 1ri0 s PHE 64 Ca 0.25 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 1ri0 s PHE 64 Cb -0.13 -0.20 0.10 0.00 0.51 0.00 0.00 43.02 43.31 1ri0 s PHE 64 CO 0.16 -0.05 1.11 -1.25 0.70 0.00 0.00 175.22 175.89 1ri0 s PRO 65 N -0.55 1.66 0.02 0.24 0.04 -1.26 -2.10 135.00 133.05 1ri0 s PRO 65 Ca -0.04 0.48 -0.05 0.00 0.04 0.00 0.00 61.00 61.44 1ri0 s PRO 65 Cb -0.04 -1.88 -0.29 0.00 0.04 0.00 0.00 34.50 32.33 1ri0 s PRO 65 CO -0.00 -1.88 0.92 -0.92 0.04 0.00 0.00 177.00 175.16 1ri0 h TYR 66 N -1.27 0.54 -0.32 0.56 5.03 -1.92 -3.10 116.97 116.49 1ri0 h TYR 66 Ca -0.49 -0.39 0.07 0.00 2.58 0.00 0.00 58.73 60.50 1ri0 h TYR 66 Cb 1.30 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 39.49 1ri0 h TYR 66 CO 0.39 1.40 -0.12 0.93 -1.32 0.00 0.00 178.16 179.44 1ri0 h GLU 67 N 0.08 -0.05 -0.17 1.82 4.39 -1.94 1.82 114.58 120.53 1ri0 h GLU 67 Ca -0.23 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1ri0 h GLU 67 Cb 2.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.68 1ri0 h GLU 67 CO 0.18 -0.04 0.06 0.93 -1.16 0.00 0.00 179.01 178.98 1ri0 h GLU 68 N -0.06 0.26 -0.07 2.33 4.39 -1.96 0.24 114.58 119.70 1ri0 h GLU 68 Ca 0.16 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ri0 h GLU 68 Cb 0.30 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1ri0 h GLU 68 CO -0.36 0.36 0.05 0.66 -1.16 0.00 0.00 179.01 178.56 1ri0 h SER 69 N 0.10 0.09 0.46 1.42 4.64 -1.30 0.15 113.55 119.11 1ri0 h SER 69 Ca 0.05 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ri0 h SER 69 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1ri0 h SER 69 CO -0.00 0.08 0.00 2.29 -0.87 0.00 0.00 176.83 178.33 1ri0 n LYS 70 N -5.03 0.06 -0.01 4.77 -0.00 0.61 -0.30 118.16 118.26 1ri0 n LYS 70 Ca -0.06 0.21 -0.16 0.00 -0.00 0.00 0.00 58.31 58.30 1ri0 n LYS 70 Cb 0.04 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.45 1ri0 n LYS 70 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ri0 h GLU 71 N 0.00 0.23 0.00 -1.58 4.81 0.15 -3.43 114.58 114.77 1ri0 h GLU 71 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1ri0 h GLU 71 Cb 0.23 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ri0 h GLU 71 CO 0.00 1.00 -0.12 0.36 -0.73 0.00 0.00 179.01 179.52 1ri0 n LYS 72 N -4.41 0.06 0.00 1.92 2.85 -0.94 -5.07 118.16 112.58 1ri0 n LYS 72 Ca -0.10 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1ri0 n LYS 72 Cb 0.57 -0.48 0.00 0.00 -0.65 0.00 0.00 35.03 34.47 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 -2.78 0.00 -1.99 5.58 3.01 0.59 -5.02 117.46 116.86 1ri0 n PHE 73 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 1ri0 n PHE 73 Cb 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 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 2.03 0.30 2.98 1.37 0.00 -0.06 -4.05 105.19 107.76 1ri0 n GLY 74 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.19 2.03 1.03 1.61 -2.85 -1.26 -4.82 119.74 111.28 1ri0 s LYS 75 Ca 0.00 -2.56 -0.16 0.00 -1.00 0.00 0.00 55.97 52.25 1ri0 s LYS 75 Cb 0.00 -3.38 0.21 0.00 -2.06 0.00 0.00 37.83 32.60 1ri0 s LYS 75 CO 0.00 -1.11 1.19 -1.25 0.10 0.00 0.00 175.35 174.28 1ri0 s PRO 76 N -0.17 0.18 1.07 1.78 0.04 -1.26 -5.01 135.00 131.63 1ri0 s PRO 76 Ca 0.17 -0.06 -0.18 0.00 0.04 0.00 0.00 61.00 60.96 1ri0 s PRO 76 Cb -0.25 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1ri0 s PRO 76 CO -0.01 -2.78 -0.11 0.09 0.04 0.00 0.00 177.00 174.23 1ri0 n ASN 77 N -4.10 -2.65 -3.72 6.66 3.02 -1.26 -4.97 115.26 108.24 1ri0 n ASN 77 Ca 0.12 -0.20 -0.30 0.00 -0.03 0.00 0.00 54.58 54.17 1ri0 n ASN 77 Cb 0.59 -0.83 -0.13 0.00 -0.61 0.00 0.00 39.78 38.80 1ri0 n ASN 77 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ri0 s LYS 78 N -3.26 1.27 0.36 3.52 0.00 -1.26 -5.01 119.74 115.37 1ri0 s LYS 78 Ca 0.47 -1.97 0.06 0.00 0.00 0.00 0.00 55.97 54.52 1ri0 s LYS 78 Cb -0.07 -2.34 0.06 0.00 0.00 0.00 0.00 37.83 35.47 1ri0 s LYS 78 CO 0.56 -1.15 0.46 0.54 0.00 0.00 0.00 175.35 175.76 1ri0 n ARG 79 N 3.60 0.80 0.13 1.78 5.12 -1.26 -4.97 116.66 121.85 1ri0 n ARG 79 Ca 0.08 -2.02 -0.12 0.00 -1.93 0.00 0.00 57.85 53.87 1ri0 n ARG 79 Cb 0.35 -0.07 -0.07 0.00 -1.16 0.00 0.00 32.46 31.50 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 -0.37 0.00 5.56 3.64 -2.00 -2.49 116.57 120.92 1ri0 h LYS 80 Ca -0.18 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1ri0 h LYS 80 Cb 0.79 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1ri0 h LYS 80 CO 0.27 -0.02 0.00 0.41 -2.27 0.00 0.00 179.45 177.84 1ri0 n GLY 81 N 0.09 -0.72 0.10 5.01 0.00 -1.26 -2.47 105.19 105.94 1ri0 n GLY 81 Ca -0.09 -0.05 -0.18 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 0.17 0.31 1.61 3.04 -1.83 -2.34 116.94 117.89 1ri0 h PHE 82 Ca 0.00 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 61.81 1ri0 h PHE 82 Cb 0.13 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1ri0 h PHE 82 CO 0.00 1.28 -0.15 1.03 -2.02 0.00 0.00 178.31 178.45 1ri0 h SER 83 N -0.77 -0.35 0.08 0.41 0.87 -1.12 -0.23 113.55 112.43 1ri0 h SER 83 Ca -0.17 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 1ri0 h SER 83 Cb 1.32 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1ri0 h SER 83 CO -0.02 -0.08 -0.11 1.05 -0.53 0.00 0.00 176.83 177.14 1ri0 h GLU 84 N -0.62 0.09 0.67 2.24 4.11 -1.68 -1.38 114.58 118.01 1ri0 h GLU 84 Ca -0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 1ri0 h GLU 84 Cb 0.45 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ri0 h GLU 84 CO 0.07 0.21 -0.32 0.78 0.07 0.00 0.00 179.01 179.82 1ri0 h GLY 85 N 0.51 -0.95 1.25 1.06 0.00 -1.14 1.20 103.07 104.99 1ri0 h GLY 85 Ca 0.02 0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.80 1ri0 h GLY 85 CO 0.02 -0.34 0.28 -2.00 0.00 0.00 0.00 176.54 174.49 1ri0 h LEU 86 N -1.16 0.00 0.00 3.11 7.12 -0.94 1.01 115.31 124.44 1ri0 h LEU 86 Ca -0.09 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.82 1ri0 h LEU 86 Cb 0.69 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.81 1ri0 h LEU 86 CO 0.15 0.00 -0.78 -0.25 -0.13 0.00 0.00 178.44 177.43 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.05 -0.81 115.95 118.26 1ri0 h TRP 87 Ca 0.16 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.15 1ri0 h TRP 87 Cb 0.72 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.37 1ri0 h TRP 87 CO 0.00 0.39 -0.16 0.93 -1.03 0.00 0.00 178.44 178.57 1ri0 h GLU 88 N 0.00 0.00 0.00 2.65 4.39 0.96 1.47 114.58 124.05 1ri0 h GLU 88 Ca -0.05 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.22 1ri0 h GLU 88 Cb 1.35 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.93 1ri0 h GLU 88 CO 0.04 0.16 -2.52 1.51 -1.16 0.00 0.00 179.01 177.04 1ri0 n ILE 89 N -3.34 1.51 0.15 3.13 0.00 -0.60 -3.00 119.36 117.21 1ri0 n ILE 89 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 62.75 62.29 1ri0 n ILE 89 Cb 0.39 -1.66 0.18 0.00 0.00 0.00 0.00 39.64 38.54 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 -0.52 0.00 -1.99 9.51 5.08 -1.17 -3.32 114.58 122.17 1ri0 h GLU 90 Ca -0.65 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.21 1ri0 h GLU 90 Cb 1.75 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.60 1ri0 h GLU 90 CO -0.27 0.55 -1.03 0.09 -1.00 0.00 0.00 179.01 177.34 1ri0 n ASN 91 N -3.53 1.98 -4.68 1.42 5.03 0.50 -5.02 115.26 110.96 1ri0 n ASN 91 Ca -0.00 -3.19 -0.31 0.00 0.87 0.00 0.00 54.58 51.94 1ri0 n ASN 91 Cb 0.63 -0.59 0.16 0.00 -1.02 0.00 0.00 39.78 38.96 1ri0 n ASN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ri0 s ASN 92 N -2.80 3.08 -0.03 6.41 2.20 -1.16 -4.44 114.94 118.20 1ri0 s ASN 92 Ca 0.42 2.20 -0.23 0.00 -0.94 0.00 0.00 52.86 54.30 1ri0 s ASN 92 Cb 0.34 -2.57 -0.22 0.00 -2.00 0.00 0.00 41.25 36.80 1ri0 s ASN 92 CO -0.09 -3.00 1.08 1.55 -2.94 0.00 0.00 177.10 173.70 1ri0 h PRO 93 N -1.71 0.23 -3.54 3.55 0.13 -1.91 -3.39 132.00 125.36 1ri0 h PRO 93 Ca -0.43 -0.22 -0.73 0.00 -0.87 0.00 0.00 66.00 63.75 1ri0 h PRO 93 Cb 1.27 0.06 -0.33 0.00 0.13 0.00 0.00 31.00 32.13 1ri0 h PRO 93 CO 0.43 0.92 -0.11 -0.08 -0.23 0.00 0.00 178.00 178.92 1ri0 s THR 94 N -3.30 4.51 -0.00 1.56 -1.32 -1.26 -5.05 115.64 110.79 1ri0 s THR 94 Ca -0.15 -3.20 -0.20 0.00 -1.21 0.00 0.00 61.69 56.94 1ri0 s THR 94 Cb 0.02 -3.83 -0.06 0.00 -1.51 0.00 0.00 72.50 67.12 1ri0 s THR 94 CO 0.75 -1.00 0.56 0.54 -2.21 0.00 0.00 174.62 173.26 1ri0 s VAL 95 N -0.54 4.91 -0.09 5.08 0.11 -1.26 -4.95 120.40 123.67 1ri0 s VAL 95 Ca 0.22 1.18 0.06 0.00 -2.93 0.00 0.00 61.98 60.51 1ri0 s VAL 95 Cb -0.13 -3.90 -0.10 0.00 -1.53 0.00 0.00 36.38 30.72 1ri0 s VAL 95 CO -0.08 0.45 0.01 2.29 -3.33 0.00 0.00 175.10 174.44 1ri0 n LYS 96 N 2.55 2.26 -1.85 1.54 2.85 -1.26 -5.01 118.16 119.25 1ri0 n LYS 96 Ca -0.08 0.01 -0.40 0.00 -1.05 0.00 0.00 58.31 56.79 1ri0 n LYS 96 Cb 0.51 -1.22 0.02 0.00 -0.65 0.00 0.00 35.03 33.69 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 -2.21 3.19 0.60 0.58 0.00 -1.26 -4.71 121.76 117.96 1ri0 s ALA 97 Ca -0.06 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1ri0 s ALA 97 Cb 0.03 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ri0 s ALA 97 CO 0.33 -1.14 0.00 0.43 0.00 0.00 0.00 175.76 175.38 1ri0 n SER 98 N -0.24 -8.16 0.20 0.00 7.64 -1.26 -5.04 113.62 106.76 1ri0 n SER 98 Ca 0.05 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.31 1ri0 n SER 98 Cb 0.43 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 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 -4.37 -1.55 2.41 0.23 0.00 -1.26 -5.12 105.19 95.52 1ri0 n GLY 99 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30