#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 -0.37 0.60 6.12 1.04 -1.26 -5.16 113.70 114.68 1ri0 s SER 2 Ca 0.00 0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.46 1ri0 s SER 2 Cb 0.00 1.31 -0.03 0.00 0.10 0.00 0.00 66.02 67.40 1ri0 s SER 2 CO 0.00 -0.07 1.30 0.00 0.98 0.00 0.00 173.24 175.45 1ri0 s ARG 3 N 2.96 2.86 -0.26 4.02 1.70 -1.26 -4.99 118.95 123.98 1ri0 s ARG 3 Ca -0.03 2.07 -0.05 0.00 -0.47 0.00 0.00 55.73 57.25 1ri0 s ARG 3 Cb -0.10 -2.02 0.01 0.00 -0.57 0.00 0.00 34.95 32.27 1ri0 s ARG 3 CO -0.10 -1.36 0.02 0.45 -1.08 0.00 0.00 175.30 173.23 1ri0 s SER 4 N -1.28 4.73 0.84 -2.89 0.15 -1.26 -5.10 113.70 108.89 1ri0 s SER 4 Ca 0.77 -0.65 -0.11 0.00 0.70 0.00 0.00 55.95 56.66 1ri0 s SER 4 Cb -0.37 -1.79 0.14 0.00 -1.71 0.00 0.00 66.02 62.28 1ri0 s SER 4 CO 0.41 -0.13 1.18 0.54 1.20 0.00 0.00 173.24 176.44 1ri0 s ASN 5 N 1.45 3.94 0.87 5.45 4.22 -1.26 -5.09 114.94 124.53 1ri0 s ASN 5 Ca 0.03 0.31 -0.09 0.00 -2.14 0.00 0.00 52.86 50.97 1ri0 s ASN 5 Cb -0.16 -0.62 0.17 0.00 1.28 0.00 0.00 41.25 41.92 1ri0 s ASN 5 CO -0.01 -2.20 1.09 -2.11 -2.04 0.00 0.00 177.10 171.84 1ri0 n ARG 6 N -3.36 -0.69 -0.07 3.55 0.00 -1.26 -5.05 116.66 109.78 1ri0 n ARG 6 Ca 0.12 -2.17 -0.12 0.00 -0.00 0.00 0.00 57.85 55.69 1ri0 n ARG 6 Cb 0.60 -0.97 -0.06 0.00 -0.00 0.00 0.00 32.46 32.03 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 -3.20 0.34 0.00 2.89 0.00 -1.26 -4.92 117.38 111.23 1ri0 n GLN 7 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 57.00 57.25 1ri0 n GLN 7 Cb 0.54 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.57 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 -3.15 0.00 -2.08 2.61 0.00 -1.26 -5.03 118.16 109.26 1ri0 n LYS 8 Ca -0.26 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.64 1ri0 n LYS 8 Cb 0.75 -0.48 -0.03 0.00 -0.00 0.00 0.00 35.03 35.27 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 -1.00 2.96 -0.00 -1.58 -1.05 -1.26 -4.95 118.70 111.82 1ri0 s GLU 9 Ca 0.00 0.86 0.01 0.00 -0.15 0.00 0.00 54.97 55.69 1ri0 s GLU 9 Cb 0.00 -4.28 -0.00 0.00 -0.44 0.00 0.00 34.13 29.41 1ri0 s GLU 9 CO 0.00 -2.32 -0.02 1.52 0.95 0.00 0.00 175.26 175.39 1ri0 s TYR 10 N 7.92 0.18 0.36 4.83 1.13 -1.26 -4.68 117.35 125.84 1ri0 s TYR 10 Ca 0.69 -0.03 0.06 0.00 -1.41 0.00 0.00 57.07 56.39 1ri0 s TYR 10 Cb -0.15 -0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.55 1ri0 s TYR 10 CO 0.26 -0.01 0.23 1.63 -2.51 0.00 0.00 175.55 175.15 1ri0 n LYS 11 N 3.09 0.47 -1.33 -3.49 4.76 -1.26 -5.05 118.16 115.35 1ri0 n LYS 11 Ca -0.13 -3.41 -0.43 0.00 -2.87 0.00 0.00 58.31 51.47 1ri0 n LYS 11 Cb 0.59 2.43 -0.01 0.00 -1.84 0.00 0.00 35.03 36.20 1ri0 n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ri0 n GLY 13 N 2.23 0.96 3.73 0.00 0.00 -1.25 -5.02 105.19 105.84 1ri0 n GLY 13 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.04 7.34 -0.11 1.61 2.15 -0.24 -4.88 116.67 119.50 1ri0 s ASP 14 Ca 0.00 2.00 -0.00 0.00 0.43 0.00 0.00 52.55 54.97 1ri0 s ASP 14 Cb 0.00 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 1ri0 s ASP 14 CO 0.00 -0.17 -0.09 -0.22 -0.17 0.00 0.00 175.17 174.51 1ri0 s LEU 15 N -0.22 2.97 0.28 -1.34 1.98 -1.26 -0.73 118.68 120.36 1ri0 s LEU 15 Ca 0.49 -0.18 -0.19 0.00 -2.89 0.00 0.00 54.13 51.36 1ri0 s LEU 15 Cb -0.27 -1.67 0.07 0.00 0.66 0.00 0.00 46.19 44.97 1ri0 s LEU 15 CO 0.33 0.24 0.91 0.54 -1.89 0.00 0.00 176.35 176.49 1ri0 s VAL 16 N -0.10 0.00 -0.45 1.68 0.11 -1.01 -5.02 120.40 115.61 1ri0 s VAL 16 Ca -0.00 -0.79 -0.20 0.00 -2.93 0.00 0.00 61.98 58.06 1ri0 s VAL 16 Cb -0.13 -2.84 0.03 0.00 -1.53 0.00 0.00 36.38 31.91 1ri0 s VAL 16 CO 0.03 0.00 0.60 -0.36 -3.33 0.00 0.00 175.10 172.04 1ri0 s PHE 17 N -2.30 3.08 0.16 1.54 0.08 -0.94 -1.40 117.98 118.19 1ri0 s PHE 17 Ca 0.18 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.83 1ri0 s PHE 17 Cb -0.04 -3.31 -0.07 0.00 -0.57 0.00 0.00 43.02 39.03 1ri0 s PHE 17 CO 0.08 -0.88 0.58 0.00 -0.10 0.00 0.00 175.22 174.90 1ri0 s ALA 18 N 2.65 3.55 -0.07 5.36 0.00 0.29 -1.65 121.76 131.90 1ri0 s ALA 18 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1ri0 s ALA 18 Cb -0.16 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1ri0 s ALA 18 CO 0.16 0.43 -0.17 0.21 0.00 0.00 0.00 175.76 176.39 1ri0 s LYS 19 N -1.92 2.68 0.10 0.00 2.20 0.67 -0.42 119.74 123.05 1ri0 s LYS 19 Ca 0.38 -0.75 0.08 0.00 -0.36 0.00 0.00 55.97 55.32 1ri0 s LYS 19 Cb -0.15 -2.37 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 1ri0 s LYS 19 CO 0.19 0.49 -0.19 1.41 -0.36 0.00 0.00 175.35 176.89 1ri0 s MET 20 N -0.38 1.08 0.03 4.03 -2.45 -1.04 -4.76 119.30 115.80 1ri0 s MET 20 Ca 0.04 -1.15 -0.34 0.00 -1.25 0.00 0.00 55.69 52.99 1ri0 s MET 20 Cb -0.12 -1.26 -0.12 0.00 1.25 0.00 0.00 34.83 34.57 1ri0 s MET 20 CO 0.02 0.29 1.75 1.63 1.05 0.00 0.00 175.02 179.76 1ri0 n LYS 21 N 1.03 2.22 0.00 4.11 4.76 -1.26 0.49 118.16 129.51 1ri0 n LYS 21 Ca -0.19 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1ri0 n LYS 21 Cb 0.54 -2.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 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 3.98 3.07 3.40 0.72 0.00 -1.26 -4.99 105.19 110.11 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 -1.70 2.81 1.03 1.61 5.04 0.18 -5.12 117.35 121.19 1ri0 s TYR 23 Ca 0.00 -0.53 -0.16 0.00 -2.44 0.00 0.00 57.07 53.94 1ri0 s TYR 23 Cb 0.00 -1.81 0.21 0.00 0.35 0.00 0.00 41.96 40.71 1ri0 s TYR 23 CO 0.00 -0.12 1.19 -1.25 -1.34 0.00 0.00 175.55 174.03 1ri0 s PRO 24 N 0.15 0.18 -0.35 4.97 0.04 -1.26 -2.51 135.00 136.23 1ri0 s PRO 24 Ca -0.06 -0.07 -0.43 0.00 0.04 0.00 0.00 61.00 60.47 1ri0 s PRO 24 Cb -0.15 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.45 1ri0 s PRO 24 CO 0.05 -2.77 1.61 0.72 0.04 0.00 0.00 177.00 176.65 1ri0 n HIS 25 N -4.10 1.80 -4.38 0.56 8.25 -1.26 -4.50 115.22 111.59 1ri0 n HIS 25 Ca 0.12 0.86 -0.20 0.00 -0.26 0.00 0.00 57.72 58.24 1ri0 n HIS 25 Cb 0.59 -2.32 -0.14 0.00 1.12 0.00 0.00 29.99 29.25 1ri0 n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1ri0 s TRP 26 N 2.91 1.18 -0.46 4.41 -0.11 0.44 -4.54 118.94 122.77 1ri0 s TRP 26 Ca 1.00 -0.33 -0.28 0.00 1.22 0.00 0.00 56.10 57.71 1ri0 s TRP 26 Cb -1.28 -0.71 0.01 0.00 -1.50 0.00 0.00 33.47 29.99 1ri0 s TRP 26 CO 0.72 0.02 1.44 -1.25 -4.62 0.00 0.00 176.95 173.25 1ri0 s PRO 27 N -0.97 3.45 0.12 5.86 0.04 -1.26 0.11 135.00 142.34 1ri0 s PRO 27 Ca 0.02 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.88 1ri0 s PRO 27 Cb -0.07 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1ri0 s PRO 27 CO 0.01 -1.73 -0.09 0.00 0.04 0.00 0.00 177.00 175.23 1ri0 s ALA 28 N 5.78 1.23 0.25 8.56 0.00 -0.49 -2.15 121.76 134.93 1ri0 s ALA 28 Ca 0.59 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 51.23 1ri0 s ALA 28 Cb -0.13 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1ri0 s ALA 28 CO 0.30 -0.13 0.30 0.50 0.00 0.00 0.00 175.76 176.74 1ri0 s ARG 29 N -3.56 3.22 0.27 0.00 3.52 0.96 -2.41 118.95 120.96 1ri0 s ARG 29 Ca 0.13 -0.89 -0.13 0.00 -0.13 0.00 0.00 55.73 54.71 1ri0 s ARG 29 Cb 0.02 -2.76 -0.08 0.00 -1.56 0.00 0.00 34.95 30.57 1ri0 s ARG 29 CO -0.01 0.39 0.64 -1.50 -0.81 0.00 0.00 175.30 174.02 1ri0 s ILE 30 N -2.05 4.80 -0.04 4.11 -1.16 0.09 -0.43 121.20 126.52 1ri0 s ILE 30 Ca 0.34 0.73 -0.28 0.00 -0.51 0.00 0.00 60.65 60.93 1ri0 s ILE 30 Cb -0.09 -3.62 0.06 0.00 0.61 0.00 0.00 42.46 39.43 1ri0 s ILE 30 CO 0.28 -0.12 0.61 -1.81 -2.81 0.00 0.00 174.94 171.09 1ri0 s ASP 31 N -2.29 -0.57 0.03 4.50 1.11 0.16 -3.92 116.67 115.69 1ri0 s ASP 31 Ca 0.50 0.59 -0.00 0.00 0.18 0.00 0.00 52.55 53.82 1ri0 s ASP 31 Cb -0.11 0.50 -0.04 0.00 1.07 0.00 0.00 42.92 44.34 1ri0 s ASP 31 CO 0.19 -0.59 0.16 -1.61 1.18 0.00 0.00 175.17 174.50 1ri0 s GLU 32 N -1.26 3.27 -0.31 8.23 0.41 -1.26 -0.56 118.70 127.22 1ri0 s GLU 32 Ca -0.11 -0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 53.70 1ri0 s GLU 32 Cb -0.01 -2.97 -0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1ri0 s GLU 32 CO 0.09 0.63 1.43 -1.64 -0.49 0.00 0.00 175.26 175.27 1ri0 s MET 33 N -2.19 3.77 1.01 1.61 -1.94 -1.26 -4.78 119.30 115.52 1ri0 s MET 33 Ca 0.30 1.28 -0.16 0.00 -1.71 0.00 0.00 55.69 55.40 1ri0 s MET 33 Cb -0.13 -3.97 0.20 0.00 2.01 0.00 0.00 34.83 32.95 1ri0 s MET 33 CO 0.22 -1.31 1.19 -1.25 -0.01 0.00 0.00 175.02 173.86 1ri0 s PRO 34 N 4.56 0.27 -0.01 2.03 0.04 -1.26 -4.91 135.00 135.71 1ri0 s PRO 34 Ca 0.62 -0.04 0.25 0.00 0.04 0.00 0.00 61.00 61.87 1ri0 s PRO 34 Cb -0.18 -1.77 0.42 0.00 0.04 0.00 0.00 34.50 33.01 1ri0 s PRO 34 CO 0.27 -2.72 1.17 -0.85 0.04 0.00 0.00 177.00 174.91 1ri0 n GLU 35 N -4.07 0.06 -0.08 4.56 0.28 -1.25 -4.01 120.64 116.14 1ri0 n GLU 35 Ca 0.11 -2.02 -0.12 0.00 -0.16 0.00 0.00 57.16 54.98 1ri0 n GLU 35 Cb 0.59 -0.08 -0.04 0.00 1.43 0.00 0.00 31.44 33.35 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 0.42 1.40 0.10 -1.84 0.00 -1.26 -4.70 120.51 114.63 1ri0 n ALA 36 Ca 0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 1ri0 n ALA 36 Cb 1.12 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.79 -0.25 -2.73 0.00 0.00 -2.03 -3.47 119.26 110.00 1ri0 h ALA 37 Ca -0.16 -0.17 -0.43 0.00 0.00 0.00 0.00 54.91 54.15 1ri0 h ALA 37 Cb 0.99 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1ri0 h ALA 37 CO -0.10 -0.48 -0.52 0.14 0.00 0.00 0.00 179.25 178.29 1ri0 s VAL 38 N -4.85 0.06 -0.17 0.00 -7.23 -1.26 -5.14 120.40 101.80 1ri0 s VAL 38 Ca -0.15 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.88 1ri0 s VAL 38 Cb 0.03 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1ri0 s VAL 38 CO 0.60 0.00 0.32 -0.54 -0.31 0.00 0.00 175.10 175.17 1ri0 s LYS 39 N -3.63 4.24 0.53 4.82 1.02 -1.26 -3.94 119.74 121.53 1ri0 s LYS 39 Ca 0.39 0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.58 1ri0 s LYS 39 Cb 0.03 -3.45 0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1ri0 s LYS 39 CO 0.23 0.17 0.58 -1.54 -0.92 0.00 0.00 175.35 173.87 1ri0 s SER 40 N 0.62 4.95 0.46 2.83 1.04 -1.26 -5.06 113.70 117.29 1ri0 s SER 40 Ca 0.17 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1ri0 s SER 40 Cb -0.13 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 1ri0 s SER 40 CO 0.05 -1.13 0.00 0.35 0.98 0.00 0.00 173.24 173.49 1ri0 n THR 41 N -1.95 0.00 -2.66 2.02 -2.24 -1.26 -5.09 114.28 103.09 1ri0 n THR 41 Ca 0.07 -2.18 -0.23 0.00 -2.27 0.00 0.00 64.05 59.44 1ri0 n THR 41 Cb 0.62 0.44 0.12 0.00 -2.10 0.00 0.00 70.33 69.41 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 -2.80 3.86 -0.93 6.98 0.00 -1.26 -4.61 121.76 123.00 1ri0 s ALA 42 Ca 0.00 -1.91 -0.09 0.00 0.00 0.00 0.00 51.96 49.95 1ri0 s ALA 42 Cb 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1ri0 s ALA 42 CO 0.00 -1.51 0.62 0.27 0.00 0.00 0.00 175.76 175.15 1ri0 n ASN 43 N -2.83 -4.66 -3.64 0.00 0.23 -1.26 -4.95 115.26 98.15 1ri0 n ASN 43 Ca 0.17 -1.06 -0.05 0.00 -0.53 0.00 0.00 54.58 53.11 1ri0 n ASN 43 Cb 0.61 -1.67 -0.07 0.00 -2.08 0.00 0.00 39.78 36.57 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 -5.62 0.20 0.10 -3.83 0.00 -1.26 -5.12 119.74 104.21 1ri0 s LYS 44 Ca 0.13 0.20 0.08 0.00 0.00 0.00 0.00 55.97 56.39 1ri0 s LYS 44 Cb -0.07 0.10 -0.03 0.00 0.00 0.00 0.00 37.83 37.82 1ri0 s LYS 44 CO 0.92 -0.03 -0.20 -0.47 0.00 0.00 0.00 175.35 175.56 1ri0 s TYR 45 N -0.09 1.73 -0.13 1.78 6.14 -0.42 -4.76 117.35 121.59 1ri0 s TYR 45 Ca 0.06 -0.42 -0.12 0.00 0.64 0.00 0.00 57.07 57.23 1ri0 s TYR 45 Cb -0.04 -0.95 -0.05 0.00 0.42 0.00 0.00 41.96 41.34 1ri0 s TYR 45 CO -0.12 0.19 0.24 -1.14 0.64 0.00 0.00 175.55 175.37 1ri0 s GLN 46 N -1.89 4.00 -0.05 4.97 0.74 0.27 -0.71 119.66 127.00 1ri0 s GLN 46 Ca 0.05 0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.53 1ri0 s GLN 46 Cb -0.10 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1ri0 s GLN 46 CO 0.04 0.45 -0.16 0.08 -0.55 0.00 0.00 175.29 175.15 1ri0 s VAL 47 N -0.15 1.35 -0.41 1.34 1.01 -0.21 0.35 120.40 123.68 1ri0 s VAL 47 Ca 0.16 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1ri0 s VAL 47 Cb -0.13 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.16 1ri0 s VAL 47 CO 0.04 0.39 0.23 0.12 0.00 0.00 0.00 175.10 175.89 1ri0 s PHE 48 N 0.17 3.37 -0.26 5.22 2.19 0.42 0.24 117.98 129.33 1ri0 s PHE 48 Ca -0.06 -1.70 -0.29 0.00 0.33 0.00 0.00 56.93 55.21 1ri0 s PHE 48 Cb -0.12 -2.95 -0.01 0.00 -1.31 0.00 0.00 43.02 38.63 1ri0 s PHE 48 CO 0.03 -0.87 1.36 -0.06 1.83 0.00 0.00 175.22 177.51 1ri0 s PHE 49 N 1.37 2.58 -1.02 10.12 0.40 0.21 -0.03 117.98 131.61 1ri0 s PHE 49 Ca 0.03 0.81 0.29 0.00 -0.60 0.00 0.00 56.93 57.46 1ri0 s PHE 49 Cb -0.23 -3.87 1.19 0.00 0.51 0.00 0.00 43.02 40.62 1ri0 s PHE 49 CO 0.01 -1.98 1.89 1.19 0.70 0.00 0.00 175.22 177.03 1ri0 n PHE 50 N 7.65 0.00 0.03 0.36 3.72 -0.92 -1.28 117.46 127.02 1ri0 n PHE 50 Ca 0.15 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.49 1ri0 n PHE 50 Cb 0.46 -0.47 -0.05 0.00 -0.94 0.00 0.00 39.48 38.48 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 5.00 -0.19 1.35 1.37 0.00 -1.82 -3.34 103.07 105.43 1ri0 h GLY 51 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ri0 h GLY 51 CO 0.00 -0.07 -0.48 -1.30 0.00 0.00 0.00 176.54 174.69 1ri0 n THR 52 N -4.88 0.40 -2.63 4.70 -2.24 -1.25 -4.70 114.28 103.68 1ri0 n THR 52 Ca -0.05 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 1ri0 n THR 52 Cb 0.19 -0.22 0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.13 -0.69 -4.04 4.78 -0.00 -0.40 -5.04 115.22 107.69 1ri0 n HIS 53 Ca 0.04 0.22 -0.07 0.00 0.46 0.00 0.00 57.72 58.36 1ri0 n HIS 53 Cb 0.44 -2.08 -0.09 0.00 -0.12 0.00 0.00 29.99 28.13 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 -5.10 0.67 -0.12 1.57 4.04 -0.61 -4.99 118.70 114.15 1ri0 s GLU 54 Ca 0.13 -1.17 -0.03 0.00 0.04 0.00 0.00 54.97 53.94 1ri0 s GLU 54 Cb -0.06 0.24 -0.03 0.00 0.02 0.00 0.00 34.13 34.30 1ri0 s GLU 54 CO 0.16 -0.15 -0.01 -0.08 -1.84 0.00 0.00 175.26 173.34 1ri0 s THR 55 N -3.91 4.22 0.18 1.83 -1.32 -1.26 0.64 115.64 116.01 1ri0 s THR 55 Ca 0.07 -0.26 0.04 0.00 -1.21 0.00 0.00 61.69 60.32 1ri0 s THR 55 Cb 0.07 -2.81 -0.05 0.00 -1.51 0.00 0.00 72.50 68.20 1ri0 s THR 55 CO -0.10 0.55 -0.05 0.00 -2.21 0.00 0.00 174.62 172.81 1ri0 s ALA 56 N -0.31 1.55 -0.09 11.08 0.00 0.14 -4.94 121.76 129.18 1ri0 s ALA 56 Ca 0.06 -1.59 -0.28 0.00 0.00 0.00 0.00 51.96 50.15 1ri0 s ALA 56 Cb -0.12 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1ri0 s ALA 56 CO 0.02 -0.18 0.94 -0.59 0.00 0.00 0.00 175.76 175.95 1ri0 s PHE 57 N -3.41 3.54 0.35 0.00 -0.71 -1.26 -1.05 117.98 115.44 1ri0 s PHE 57 Ca 0.21 1.53 -0.07 0.00 -1.04 0.00 0.00 56.93 57.56 1ri0 s PHE 57 Cb 0.04 -3.11 0.02 0.00 -1.21 0.00 0.00 43.02 38.76 1ri0 s PHE 57 CO 0.04 -0.15 0.58 -0.51 -1.34 0.00 0.00 175.22 173.84 1ri0 s LEU 58 N 1.70 0.65 0.00 -1.99 1.43 0.12 -4.92 118.68 115.67 1ri0 s LEU 58 Ca 0.46 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1ri0 s LEU 58 Cb -0.19 1.94 0.00 0.00 0.03 0.00 0.00 46.19 47.98 1ri0 s LEU 58 CO 0.19 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.96 1ri0 n GLY 59 N -0.55 5.91 0.19 -3.19 0.00 -1.26 -1.31 105.19 104.98 1ri0 n GLY 59 Ca -0.02 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 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 0.66 -0.24 1.61 0.13 -1.97 -3.03 132.00 129.16 1ri0 h PRO 60 Ca 0.00 -0.64 0.03 0.00 -0.87 0.00 0.00 66.00 64.51 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 0.08 -0.22 -0.23 0.00 0.00 178.00 178.87 1ri0 h LYS 61 N 0.32 0.18 -0.43 0.86 1.63 -2.01 0.07 116.57 117.19 1ri0 h LYS 61 Ca -0.09 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.81 1ri0 h LYS 61 Cb 1.50 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 1ri0 h LYS 61 CO 0.17 0.12 0.31 -0.44 -3.45 0.00 0.00 179.45 176.15 1ri0 h ASP 62 N 0.19 0.07 -3.57 4.20 3.32 -1.86 -3.37 116.42 115.41 1ri0 h ASP 62 Ca 0.11 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.53 1ri0 h ASP 62 Cb 0.08 -0.01 -0.13 0.00 0.22 0.00 0.00 39.33 39.48 1ri0 h ASP 62 CO -0.11 0.04 0.06 -0.76 -1.72 0.00 0.00 179.24 176.75 1ri0 s LEU 63 N -8.93 4.16 -0.03 1.55 1.02 0.01 -0.24 118.68 116.21 1ri0 s LEU 63 Ca -0.06 0.35 0.06 0.00 0.02 0.00 0.00 54.13 54.51 1ri0 s LEU 63 Cb 0.19 -2.72 -0.01 0.00 0.02 0.00 0.00 46.19 43.67 1ri0 s LEU 63 CO 0.72 -0.43 -0.21 -0.36 0.02 0.00 0.00 176.35 176.10 1ri0 s PHE 64 N 2.48 1.97 0.91 0.29 0.40 -0.66 -4.85 117.98 118.53 1ri0 s PHE 64 Ca 0.23 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 1ri0 s PHE 64 Cb -0.15 -1.29 0.14 0.00 0.51 0.00 0.00 43.02 42.22 1ri0 s PHE 64 CO 0.11 -0.11 1.14 -1.25 0.70 0.00 0.00 175.22 175.81 1ri0 s PRO 65 N -0.27 1.18 0.16 0.24 0.04 -1.26 -2.22 135.00 132.87 1ri0 s PRO 65 Ca 0.02 0.30 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 1ri0 s PRO 65 Cb -0.10 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1ri0 s PRO 65 CO 0.01 -2.17 1.41 -0.92 0.04 0.00 0.00 177.00 175.37 1ri0 h TYR 66 N -1.48 0.68 -0.32 0.56 3.20 -1.97 -0.70 116.97 116.93 1ri0 h TYR 66 Ca -0.50 -0.29 0.05 0.00 3.14 0.00 0.00 58.73 61.12 1ri0 h TYR 66 Cb 1.33 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.45 1ri0 h TYR 66 CO 0.30 1.06 0.04 0.93 -1.64 0.00 0.00 178.16 178.85 1ri0 h GLU 67 N 0.35 0.14 -0.03 1.82 5.08 -1.98 0.65 114.58 120.60 1ri0 h GLU 67 Ca -0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1ri0 h GLU 67 Cb 1.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ri0 h GLU 67 CO 0.13 0.09 -0.14 0.93 -1.00 0.00 0.00 179.01 179.02 1ri0 h GLU 68 N 0.14 0.15 -0.31 2.33 5.08 -1.95 -1.55 114.58 118.47 1ri0 h GLU 68 Ca 0.15 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1ri0 h GLU 68 Cb 0.18 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 1ri0 h GLU 68 CO -0.22 0.77 -0.16 1.03 -1.00 0.00 0.00 179.01 179.43 1ri0 h SER 69 N -0.43 -0.54 0.36 1.42 0.87 -0.89 0.30 113.55 114.65 1ri0 h SER 69 Ca -0.01 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1ri0 h SER 69 Cb 0.80 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1ri0 h SER 69 CO 0.03 -0.20 -0.20 0.07 -0.53 0.00 0.00 176.83 176.00 1ri0 h LYS 70 N -0.12 0.00 -0.89 2.24 2.10 0.24 1.96 116.57 122.11 1ri0 h LYS 70 Ca 0.16 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.89 1ri0 h LYS 70 Cb 0.36 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.62 1ri0 h LYS 70 CO -0.38 0.20 0.54 1.49 -2.00 0.00 0.00 179.45 179.30 1ri0 h GLU 71 N 0.00 0.92 0.00 0.07 4.81 0.66 -3.34 114.58 117.71 1ri0 h GLU 71 Ca -0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1ri0 h GLU 71 Cb 0.44 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ri0 h GLU 71 CO 0.03 0.61 -0.91 1.17 -0.73 0.00 0.00 179.01 179.17 1ri0 n LYS 72 N -4.64 0.45 0.00 1.92 3.00 -0.89 -5.03 118.16 112.98 1ri0 n LYS 72 Ca 0.14 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1ri0 n LYS 72 Cb 0.23 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1ri0 n LYS 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ri0 n PHE 73 N -4.31 0.00 -0.59 5.64 3.01 0.41 -5.01 117.46 116.61 1ri0 n PHE 73 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1ri0 n PHE 73 Cb 0.46 0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 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 2.80 1.50 2.67 1.37 0.00 0.57 -4.26 105.19 109.84 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 -1.59 0.00 0.00 0.00 173.32 171.73 1ri0 s LYS 75 N -0.12 0.69 1.02 1.61 0.00 -1.26 -4.77 119.74 116.91 1ri0 s LYS 75 Ca 0.00 -1.14 -0.16 0.00 0.00 0.00 0.00 55.97 54.67 1ri0 s LYS 75 Cb 0.00 -1.84 0.21 0.00 0.00 0.00 0.00 37.83 36.20 1ri0 s LYS 75 CO 0.00 -1.04 1.19 -1.25 0.00 0.00 0.00 175.35 174.26 1ri0 s PRO 76 N 1.47 0.20 -0.27 1.78 0.04 -1.26 -4.88 135.00 132.07 1ri0 s PRO 76 Ca 0.12 -0.07 -0.39 0.00 0.04 0.00 0.00 61.00 60.69 1ri0 s PRO 76 Cb -0.19 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 1ri0 s PRO 76 CO -0.21 -2.76 1.81 0.09 0.04 0.00 0.00 177.00 175.97 1ri0 n ASN 77 N -4.09 2.47 -4.19 6.66 5.03 -1.26 -4.76 115.26 115.11 1ri0 n ASN 77 Ca 0.12 1.00 -0.37 0.00 0.87 0.00 0.00 54.58 56.19 1ri0 n ASN 77 Cb 0.59 -1.17 -0.04 0.00 -1.02 0.00 0.00 39.78 38.14 1ri0 n ASN 77 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ri0 n LYS 78 N 5.85 1.99 -2.04 3.52 4.01 -1.26 -4.80 118.16 125.43 1ri0 n LYS 78 Ca 0.28 -2.44 -0.13 0.00 -0.51 0.00 0.00 58.31 55.51 1ri0 n LYS 78 Cb 0.15 -3.39 0.06 0.00 -0.51 0.00 0.00 35.03 31.34 1ri0 n LYS 78 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ri0 n ARG 79 N 7.67 0.48 0.00 1.97 5.12 -1.26 -4.95 116.66 125.69 1ri0 n ARG 79 Ca 0.48 -1.82 0.00 0.00 -1.93 0.00 0.00 57.85 54.58 1ri0 n ARG 79 Cb 0.44 -0.27 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 1ri0 n ARG 79 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1ri0 n LYS 80 N -1.95 0.00 0.27 5.56 5.02 -1.26 -1.97 118.16 123.82 1ri0 n LYS 80 Ca 0.10 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 1ri0 n LYS 80 Cb 0.37 -1.19 0.58 0.00 -0.02 0.00 0.00 35.03 34.77 1ri0 n LYS 80 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ri0 h GLY 81 N 0.00 0.00 1.58 0.72 0.00 -1.97 0.55 103.07 103.95 1ri0 h GLY 81 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1ri0 h GLY 81 CO 0.00 0.00 -0.77 -2.75 0.00 0.00 0.00 176.54 173.02 1ri0 h PHE 82 N 0.00 0.56 0.14 5.60 3.04 -1.83 -0.57 116.94 123.88 1ri0 h PHE 82 Ca 0.00 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.68 1ri0 h PHE 82 Cb 0.71 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.14 1ri0 h PHE 82 CO 0.00 1.03 -0.07 1.03 -2.02 0.00 0.00 178.31 178.29 1ri0 h SER 83 N 0.27 -0.16 0.28 0.41 0.87 0.76 -2.53 113.55 113.46 1ri0 h SER 83 Ca -0.04 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1ri0 h SER 83 Cb 1.36 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1ri0 h SER 83 CO 0.13 0.39 0.00 -1.84 -0.53 0.00 0.00 176.83 174.99 1ri0 n GLU 84 N -4.88 0.01 -0.03 2.24 0.28 -0.98 -1.64 120.64 115.63 1ri0 n GLU 84 Ca -0.05 0.37 -0.01 0.00 -0.16 0.00 0.00 57.16 57.32 1ri0 n GLU 84 Cb 0.17 -1.52 -0.00 0.00 1.43 0.00 0.00 31.44 31.51 1ri0 n GLU 84 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1ri0 h GLY 85 N 1.38 0.00 1.83 -1.84 0.00 -1.10 -0.44 103.07 102.90 1ri0 h GLY 85 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1ri0 h GLY 85 CO 0.00 0.00 0.07 0.17 0.00 0.00 0.00 176.54 176.78 1ri0 h LEU 86 N -0.56 0.00 0.00 3.11 -0.00 -1.37 0.48 115.31 116.97 1ri0 h LEU 86 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.66 1ri0 h LEU 86 Cb 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.70 1ri0 h LEU 86 CO 0.00 0.00 -1.38 -0.25 -0.00 0.00 0.00 178.44 176.81 1ri0 h TRP 87 N 0.00 0.00 0.00 0.17 2.91 -1.44 -1.41 115.95 116.18 1ri0 h TRP 87 Ca 0.02 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 1ri0 h TRP 87 Cb 0.16 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.81 1ri0 h TRP 87 CO 0.00 0.81 -0.12 0.93 -1.03 0.00 0.00 178.44 179.03 1ri0 h GLU 88 N 0.00 0.00 0.01 2.65 4.39 0.17 1.43 114.58 123.23 1ri0 h GLU 88 Ca -0.17 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.11 1ri0 h GLU 88 Cb 1.77 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.36 1ri0 h GLU 88 CO 0.08 0.12 -2.45 1.51 -1.16 0.00 0.00 179.01 177.11 1ri0 n ILE 89 N -3.44 1.52 0.08 3.13 0.00 -0.73 -3.17 119.36 116.75 1ri0 n ILE 89 Ca -0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 62.75 62.21 1ri0 n ILE 89 Cb 0.29 -1.62 0.16 0.00 0.00 0.00 0.00 39.64 38.47 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 -0.40 0.25 -2.07 9.51 5.08 -1.19 -3.33 114.58 122.44 1ri0 h GLU 90 Ca -0.61 -0.15 -0.56 0.00 -1.00 0.00 0.00 59.36 57.04 1ri0 h GLU 90 Cb 1.79 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.65 1ri0 h GLU 90 CO -0.21 0.71 -0.95 0.09 -1.00 0.00 0.00 179.01 177.65 1ri0 n ASN 91 N -3.94 1.54 -4.72 1.42 3.02 0.49 -5.03 115.26 108.04 1ri0 n ASN 91 Ca -0.02 -3.02 -0.42 0.00 -0.03 0.00 0.00 54.58 51.10 1ri0 n ASN 91 Cb 0.56 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.90 6.79 0.06 6.41 2.20 -1.19 -4.45 114.94 122.86 1ri0 s ASN 92 Ca 0.38 2.41 -0.15 0.00 -0.94 0.00 0.00 52.86 54.56 1ri0 s ASN 92 Cb 0.20 -2.60 -0.21 0.00 -2.00 0.00 0.00 41.25 36.65 1ri0 s ASN 92 CO -0.08 -0.66 1.20 1.55 -2.94 0.00 0.00 177.10 176.17 1ri0 h PRO 93 N 6.35 0.66 -2.44 3.55 0.13 -1.90 -3.39 132.00 134.96 1ri0 h PRO 93 Ca -0.43 -0.64 -0.59 0.00 -0.87 0.00 0.00 66.00 63.46 1ri0 h PRO 93 Cb 1.21 0.17 -0.40 0.00 0.13 0.00 0.00 31.00 32.11 1ri0 h PRO 93 CO 0.84 1.25 -0.84 2.41 -0.23 0.00 0.00 178.00 181.43 1ri0 n THR 94 N -3.98 0.17 -1.67 1.56 -1.04 -1.26 -5.09 114.28 102.98 1ri0 n THR 94 Ca -0.10 -4.20 -0.43 0.00 -2.04 0.00 0.00 64.05 57.29 1ri0 n THR 94 Cb 0.79 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 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 2.00 0.68 -0.05 12.58 3.14 -1.26 -4.85 118.33 130.56 1ri0 n VAL 95 Ca 0.25 -0.12 -0.13 0.00 -2.96 0.00 0.00 64.34 61.39 1ri0 n VAL 95 Cb 0.45 -2.24 -0.14 0.00 -1.06 0.00 0.00 33.84 30.84 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 7.08 0.68 -3.25 1.45 2.85 -1.26 -4.64 118.16 121.07 1ri0 n LYS 96 Ca 0.20 0.19 -0.46 0.00 -1.05 0.00 0.00 58.31 57.19 1ri0 n LYS 96 Cb 0.39 -1.66 -0.02 0.00 -0.65 0.00 0.00 35.03 33.09 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 -2.55 4.12 0.06 0.58 0.00 -1.26 -4.99 121.76 117.72 1ri0 s ALA 97 Ca -0.14 -3.36 0.01 0.00 0.00 0.00 0.00 51.96 48.47 1ri0 s ALA 97 Cb 0.07 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1ri0 s ALA 97 CO 0.78 -2.40 -0.05 -1.54 0.00 0.00 0.00 175.76 172.55 1ri0 s SER 98 N 2.23 0.76 0.00 0.00 1.04 -1.26 -5.13 113.70 111.35 1ri0 s SER 98 Ca 0.25 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1ri0 s SER 98 Cb -0.09 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1ri0 s SER 98 CO -0.08 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1ri0 n GLY 99 N 0.40 3.13 0.00 7.32 0.00 -1.26 -5.22 105.19 109.56 1ri0 n GLY 99 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30