#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oq3 s ARG 2 N 0.00 3.23 0.21 2.12 3.00 -1.26 -4.85 118.95 121.41 2oq3 s ARG 2 Ca 0.00 1.53 -0.09 0.00 0.00 0.00 0.00 55.73 57.18 2oq3 s ARG 2 Cb 0.00 -4.25 0.30 0.00 0.00 0.00 0.00 34.95 31.00 2oq3 s ARG 2 CO 0.00 -1.98 1.75 -0.07 0.00 0.00 0.00 175.30 175.00 2oq3 h LEU 3 N 14.24 0.29 -1.98 2.53 -0.00 -1.12 -1.96 115.31 127.30 2oq3 h LEU 3 Ca -0.35 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2oq3 h LEU 3 Cb 1.19 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2oq3 h LEU 3 CO 1.03 0.17 0.27 0.28 -0.00 0.00 0.00 178.44 180.19 2oq3 h SER 4 N 0.46 0.00 0.27 -0.43 0.02 -1.73 -0.74 113.55 111.40 2oq3 h SER 4 Ca 0.32 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 2oq3 h SER 4 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2oq3 h SER 4 CO -0.30 0.00 -0.31 -0.78 -1.14 0.00 0.00 176.83 174.30 2oq3 h ASP 5 N 0.00 0.07 0.45 3.07 3.58 -1.72 -3.27 116.42 118.60 2oq3 h ASP 5 Ca 0.00 -0.02 -0.30 0.00 0.42 0.00 0.00 57.03 57.12 2oq3 h ASP 5 Cb 0.54 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2oq3 h ASP 5 CO 0.00 0.39 -1.62 1.88 -2.88 0.00 0.00 179.24 177.01 2oq3 h TYR 6 N 0.07 0.30 -3.12 0.28 0.05 -1.31 -3.44 116.97 109.79 2oq3 h TYR 6 Ca 0.01 -0.22 -0.65 0.00 0.05 0.00 0.00 58.73 57.92 2oq3 h TYR 6 Cb 0.59 -0.01 -0.15 0.00 1.01 0.00 0.00 36.73 38.17 2oq3 h TYR 6 CO 0.00 1.32 0.34 -0.06 -1.05 0.00 0.00 178.16 178.71 2oq3 s PHE 7 N -2.61 2.88 0.03 4.88 0.40 -1.24 -0.19 117.98 122.14 2oq3 s PHE 7 Ca -0.09 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.74 2oq3 s PHE 7 Cb 0.07 -3.90 -0.08 0.00 0.51 0.00 0.00 43.02 39.63 2oq3 s PHE 7 CO 0.83 -1.27 1.22 -1.35 0.70 0.00 0.00 175.22 175.35 2oq3 h PRO 8 N 9.22 -0.46 0.00 0.24 0.11 -1.84 -3.47 132.00 135.79 2oq3 h PRO 8 Ca -0.27 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2oq3 h PRO 8 Cb 1.08 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2oq3 h PRO 8 CO 1.06 -0.31 0.00 -1.91 -0.21 0.00 0.00 178.00 176.63 2oq3 n GLU 9 N -3.47 0.00 0.00 1.05 2.13 -1.26 -4.92 120.64 114.16 2oq3 n GLU 9 Ca -0.06 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.79 2oq3 n GLU 9 Cb 0.20 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.09 2oq3 n GLU 9 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2oq3 n SER 10 N -2.75 0.00 0.23 4.31 7.64 -1.26 -3.74 113.62 118.05 2oq3 n SER 10 Ca 0.00 -0.72 0.06 0.00 1.01 0.00 0.00 58.87 59.21 2oq3 n SER 10 Cb 0.00 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 63.72 2oq3 n SER 10 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2oq3 h SER 11 N 0.00 0.00 -3.23 6.43 4.64 -1.87 -3.43 113.55 116.08 2oq3 h SER 11 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2oq3 h SER 11 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2oq3 h SER 11 CO 0.00 0.17 -0.11 -0.63 -0.87 0.00 0.00 176.83 175.38 2oq3 s ILE 12 N -4.65 5.03 -0.01 0.95 -1.09 -1.25 -0.40 121.20 119.78 2oq3 s ILE 12 Ca -0.04 1.02 -0.26 0.00 -2.23 0.00 0.00 60.65 59.14 2oq3 s ILE 12 Cb 0.16 -3.83 0.06 0.00 -1.58 0.00 0.00 42.46 37.27 2oq3 s ILE 12 CO 0.69 0.44 0.57 -0.44 -1.23 0.00 0.00 174.94 174.98 2oq3 s SER 13 N -0.22 -0.52 0.03 3.58 0.01 -0.35 -4.96 113.70 111.28 2oq3 s SER 13 Ca 0.27 0.45 0.08 0.00 1.31 0.00 0.00 55.95 58.06 2oq3 s SER 13 Cb -0.17 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 2oq3 s SER 13 CO 0.14 -0.62 -0.23 -0.69 0.41 0.00 0.00 173.24 172.25 2oq3 s VAL 14 N -1.61 1.85 0.01 3.43 1.01 -1.26 -1.93 120.40 121.89 2oq3 s VAL 14 Ca -0.10 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 2oq3 s VAL 14 Cb -0.01 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2oq3 s VAL 14 CO 0.05 0.33 0.01 -0.63 0.00 0.00 0.00 175.10 174.86 2oq3 s ILE 15 N -0.74 0.08 -0.02 2.22 1.01 0.22 -4.95 121.20 119.03 2oq3 s ILE 15 Ca 0.09 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 2oq3 s ILE 15 Cb -0.09 -0.24 -0.21 0.00 0.01 0.00 0.00 42.46 41.93 2oq3 s ILE 15 CO 0.01 -0.37 1.14 -0.74 0.00 0.00 0.00 174.94 174.98 2oq3 h HIS 16 N 4.91 0.31 -1.91 3.97 -0.00 -1.94 0.48 115.15 120.98 2oq3 h HIS 16 Ca -0.30 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 59.90 2oq3 h HIS 16 Cb 1.21 -0.05 -0.21 0.00 -0.00 0.00 0.00 27.41 28.36 2oq3 h HIS 16 CO 0.60 0.86 0.24 -1.54 -0.00 0.00 0.00 177.93 178.09 2oq3 s SER 17 N -6.24 -0.63 0.63 3.26 1.04 -1.26 -0.75 113.70 109.75 2oq3 s SER 17 Ca -0.15 0.90 -0.12 0.00 0.48 0.00 0.00 55.95 57.06 2oq3 s SER 17 Cb 0.02 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 2oq3 s SER 17 CO 0.75 -0.43 1.04 0.00 0.98 0.00 0.00 173.24 175.57 2oq3 s ALA 18 N -0.61 2.93 0.21 5.32 0.00 -1.26 -4.97 121.76 123.38 2oq3 s ALA 18 Ca -0.05 0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2oq3 s ALA 18 Cb -0.02 -3.13 0.20 0.00 0.00 0.00 0.00 23.12 20.18 2oq3 s ALA 18 CO 0.05 -0.81 1.83 -0.22 0.00 0.00 0.00 175.76 176.61 2oq3 h LYS 19 N -0.22 0.76 -2.53 0.00 1.63 -1.99 -3.47 116.57 110.75 2oq3 h LYS 19 Ca -0.45 -0.05 0.16 0.00 -0.85 0.00 0.00 60.65 59.46 2oq3 h LYS 19 Cb 1.20 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.62 2oq3 h LYS 19 CO 0.60 0.50 0.56 0.16 -3.45 0.00 0.00 179.45 177.83 2oq3 s ASP 20 N -5.68 -0.01 0.38 4.20 -4.77 -1.26 -5.00 116.67 104.53 2oq3 s ASP 20 Ca -0.13 -0.67 0.07 0.00 -3.30 0.00 0.00 52.55 48.53 2oq3 s ASP 20 Cb 0.15 0.51 0.81 0.00 -1.09 0.00 0.00 42.92 43.31 2oq3 s ASP 20 CO 0.76 -1.02 1.97 4.11 0.70 0.00 0.00 175.17 181.70 2oq3 h TRP 21 N 2.00 0.68 0.11 2.11 0.09 -1.90 0.92 115.95 119.96 2oq3 h TRP 21 Ca -0.28 0.02 -0.01 0.00 0.09 0.00 0.00 58.89 58.72 2oq3 h TRP 21 Cb 1.22 -0.22 0.00 0.00 0.08 0.00 0.00 29.16 30.24 2oq3 h TRP 21 CO 1.27 0.36 -0.05 1.96 0.09 0.00 0.00 178.44 182.06 2oq3 h GLN 22 N 0.67 -0.14 -0.44 0.12 4.20 -1.96 -2.72 115.11 114.84 2oq3 h GLN 22 Ca 0.29 0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.02 2oq3 h GLN 22 Cb 0.29 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2oq3 h GLN 22 CO -0.09 0.01 0.29 1.49 -0.67 0.00 0.00 178.83 179.86 2oq3 h GLU 23 N -0.26 0.56 -0.19 1.46 4.57 -1.76 -1.64 114.58 117.33 2oq3 h GLU 23 Ca -0.01 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2oq3 h GLU 23 Cb 0.21 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2oq3 h GLU 23 CO 0.02 0.37 -0.14 0.00 -1.18 0.00 0.00 179.01 178.09 2oq3 h ALA 24 N 1.73 1.42 -0.19 2.92 0.00 -0.65 0.25 119.26 124.73 2oq3 h ALA 24 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2oq3 h ALA 24 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2oq3 h ALA 24 CO -0.04 0.40 -0.11 0.82 0.00 0.00 0.00 179.25 180.33 2oq3 h ILE 25 N 0.29 1.31 -0.77 0.00 2.04 -1.01 -0.74 117.51 118.63 2oq3 h ILE 25 Ca 0.06 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 64.80 2oq3 h ILE 25 Cb 0.42 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 2oq3 h ILE 25 CO 0.03 0.36 0.46 -0.78 0.00 0.00 0.00 178.15 178.21 2oq3 h ASP 26 N 0.10 0.69 0.84 1.72 3.58 -0.81 0.67 116.42 123.23 2oq3 h ASP 26 Ca 0.04 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2oq3 h ASP 26 Cb 0.60 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2oq3 h ASP 26 CO 0.03 0.44 0.00 -0.26 -2.88 0.00 0.00 179.24 176.57 2oq3 h PHE 27 N 0.82 0.00 0.00 0.28 0.04 -0.45 0.34 116.94 117.98 2oq3 h PHE 27 Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2oq3 h PHE 27 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 2oq3 h PHE 27 CO -0.06 0.00 0.00 0.77 -0.60 0.00 0.00 178.31 178.42 2oq3 h SER 28 N 0.00 0.00 0.00 2.17 0.02 0.67 -3.41 113.55 113.00 2oq3 h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 28 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2oq3 h SER 28 CO 0.00 0.00 -0.51 0.23 -1.14 0.00 0.00 176.83 175.41 2oq3 n MET 29 N -2.96 2.65 -0.14 3.45 2.81 -0.50 -3.91 117.12 118.52 2oq3 n MET 29 Ca 0.04 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.96 2oq3 n MET 29 Cb 0.50 -0.71 0.32 0.00 -0.71 0.00 0.00 33.22 32.62 2oq3 n MET 29 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2oq3 h VAL 30 N 0.00 1.14 0.00 2.03 3.04 -0.61 -0.03 116.25 121.83 2oq3 h VAL 30 Ca 0.00 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 2oq3 h VAL 30 Cb 0.00 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 29.52 2oq3 h VAL 30 CO 0.00 0.15 -0.06 0.28 -1.01 0.00 0.00 177.57 176.93 2oq3 h SER 31 N 0.83 0.00 0.11 3.17 0.02 -1.84 0.13 113.55 115.96 2oq3 h SER 31 Ca 0.24 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 31 Cb -0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2oq3 h SER 31 CO -0.06 0.06 -1.42 -0.07 -1.14 0.00 0.00 176.83 174.21 2oq3 h LEU 32 N 0.00 0.36 -0.85 5.07 3.38 -1.40 -3.36 115.31 118.51 2oq3 h LEU 32 Ca -0.00 -0.85 0.08 0.00 0.09 0.00 0.00 57.88 57.21 2oq3 h LEU 32 Cb 0.14 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2oq3 h LEU 32 CO 0.01 1.62 0.51 0.25 0.09 0.00 0.00 178.44 180.92 2oq3 h LEU 33 N -0.32 0.76 -1.96 1.67 5.85 -0.47 0.28 115.31 121.12 2oq3 h LEU 33 Ca -0.31 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2oq3 h LEU 33 Cb 1.75 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 2oq3 h LEU 33 CO 0.05 0.45 0.00 -0.78 -0.34 0.00 0.00 178.44 177.83 2oq3 h ASP 34 N 0.88 0.02 -0.25 1.25 3.58 -0.92 -1.12 116.42 119.87 2oq3 h ASP 34 Ca 0.40 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 2oq3 h ASP 34 Cb 0.30 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2oq3 h ASP 34 CO -0.22 0.02 -0.00 0.29 -2.88 0.00 0.00 179.24 176.45 2oq3 n LYS 35 N -4.53 2.83 -3.50 0.28 5.02 -1.01 -4.97 118.16 112.28 2oq3 n LYS 35 Ca -0.03 -2.84 -0.25 0.00 -2.02 0.00 0.00 58.31 53.18 2oq3 n LYS 35 Cb 0.10 -1.83 -0.01 0.00 -0.02 0.00 0.00 35.03 33.26 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2oq3 n ASN 36 N -0.57 -3.27 0.29 4.39 6.94 -0.42 -4.85 115.26 117.77 2oq3 n ASN 36 Ca 0.21 -0.47 0.17 0.00 -0.02 0.00 0.00 54.58 54.48 2oq3 n ASN 36 Cb 0.88 -2.72 0.88 0.00 -2.36 0.00 0.00 39.78 36.46 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 2oq3 h TYR 37 N -0.93 0.00 -4.00 -2.53 -1.99 -1.17 -3.40 116.97 102.94 2oq3 h TYR 37 Ca -0.43 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.18 2oq3 h TYR 37 Cb 1.28 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.89 2oq3 h TYR 37 CO 0.69 0.05 -0.38 0.96 -0.00 0.00 0.00 178.16 179.48 2oq3 s ILE 38 N -4.07 0.07 0.39 -2.88 -4.36 -1.25 -0.59 121.20 108.51 2oq3 s ILE 38 Ca -0.03 -1.51 0.06 0.00 -0.26 0.00 0.00 60.65 58.91 2oq3 s ILE 38 Cb 0.12 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.91 2oq3 s ILE 38 CO 0.52 -0.30 0.55 -0.94 0.24 0.00 0.00 174.94 175.01 2oq3 s SER 39 N -2.99 5.81 0.47 4.36 1.04 -0.13 -4.61 113.70 117.64 2oq3 s SER 39 Ca 0.20 -0.17 0.13 0.00 0.48 0.00 0.00 55.95 56.58 2oq3 s SER 39 Cb 0.04 -1.08 1.08 0.00 0.10 0.00 0.00 66.02 66.16 2oq3 s SER 39 CO 0.01 -0.62 2.09 -0.33 0.98 0.00 0.00 173.24 175.37 2oq3 h GLU 40 N 0.68 0.18 -0.33 4.02 5.08 -1.95 -1.59 114.58 120.67 2oq3 h GLU 40 Ca -0.44 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2oq3 h GLU 40 Cb 1.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2oq3 h GLU 40 CO 0.51 0.15 0.22 -0.97 -1.00 0.00 0.00 179.01 177.92 2oq3 h ASN 41 N 0.18 0.33 -0.43 1.42 -1.24 -1.94 -2.56 115.58 111.34 2oq3 h ASN 41 Ca 0.05 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.06 2oq3 h ASN 41 Cb 0.04 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 2oq3 h ASN 41 CO -0.01 0.23 0.26 0.22 -1.29 0.00 0.00 177.43 176.85 2oq3 h TYR 42 N 0.38 0.50 -0.02 0.67 3.20 -1.15 0.54 116.97 121.09 2oq3 h TYR 42 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2oq3 h TYR 42 Cb 0.05 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 2oq3 h TYR 42 CO -0.00 0.30 0.01 0.82 -1.64 0.00 0.00 178.16 177.65 2oq3 h ILE 43 N 0.53 1.01 0.00 1.81 5.03 -1.57 -2.96 117.51 121.35 2oq3 h ILE 43 Ca 0.16 -0.01 -0.06 0.00 -0.12 0.00 0.00 64.86 64.83 2oq3 h ILE 43 Cb -0.02 0.98 -0.01 0.00 -3.03 0.00 0.00 36.82 34.74 2oq3 h ILE 43 CO -0.06 0.01 -0.31 -0.61 -0.68 0.00 0.00 178.15 176.50 2oq3 h GLN 44 N 0.03 0.00 -0.54 2.37 5.75 -1.18 -1.76 115.11 119.78 2oq3 h GLN 44 Ca 0.01 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 2oq3 h GLN 44 Cb -0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2oq3 h GLN 44 CO -0.00 0.31 0.32 0.00 -2.65 0.00 0.00 178.83 176.81 2oq3 h ALA 45 N 1.69 0.69 -0.15 3.38 0.00 -0.75 0.53 119.26 124.65 2oq3 h ALA 45 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2oq3 h ALA 45 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oq3 h ALA 45 CO 0.04 0.04 -0.08 0.82 0.00 0.00 0.00 179.25 180.06 2oq3 h ILE 46 N 0.64 1.32 -0.24 0.00 2.04 -1.29 -1.93 117.51 118.04 2oq3 h ILE 46 Ca 0.22 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2oq3 h ILE 46 Cb 0.02 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2oq3 h ILE 46 CO -0.10 0.33 0.15 0.11 0.00 0.00 0.00 178.15 178.65 2oq3 h LYS 47 N -0.01 0.30 -0.52 2.37 1.57 -1.12 0.00 116.57 119.17 2oq3 h LYS 47 Ca 0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2oq3 h LYS 47 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2oq3 h LYS 47 CO 0.02 0.20 0.26 0.22 -0.57 0.00 0.00 179.45 179.59 2oq3 h ASP 48 N 0.31 0.67 -0.14 0.86 3.58 -0.88 0.34 116.42 121.16 2oq3 h ASP 48 Ca 0.09 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2oq3 h ASP 48 Cb -0.02 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2oq3 h ASP 48 CO -0.03 0.60 0.08 0.28 -2.88 0.00 0.00 179.24 177.29 2oq3 h SER 49 N 0.69 0.14 -0.69 2.28 0.02 -1.13 -0.62 113.55 114.24 2oq3 h SER 49 Ca 0.18 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2oq3 h SER 49 Cb 0.10 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 2oq3 h SER 49 CO -0.02 0.10 0.42 0.74 -1.14 0.00 0.00 176.83 176.93 2oq3 h THR 50 N 0.17 1.05 -0.56 -2.27 2.02 -0.52 -1.05 112.91 111.76 2oq3 h THR 50 Ca 0.05 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 2oq3 h THR 50 Cb -0.01 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 2oq3 h THR 50 CO -0.02 0.15 0.03 0.40 0.37 0.00 0.00 175.52 176.44 2oq3 h ILE 51 N 0.80 1.26 -0.18 3.11 2.04 -0.71 -0.51 117.51 123.33 2oq3 h ILE 51 Ca 0.29 -1.07 -0.19 0.00 1.00 0.00 0.00 64.86 64.89 2oq3 h ILE 51 Cb 0.08 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2oq3 h ILE 51 CO -0.13 0.39 -0.64 0.78 0.00 0.00 0.00 178.15 178.54 2oq3 h ASN 52 N 0.85 0.76 0.00 1.72 2.35 -0.34 -3.39 115.58 117.53 2oq3 h ASN 52 Ca 0.16 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2oq3 h ASN 52 Cb 0.50 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2oq3 h ASN 52 CO 0.02 1.21 -0.05 -3.20 -1.65 0.00 0.00 177.43 173.76 2oq3 n ASN 53 N -3.94 0.00 -0.10 5.81 5.15 -0.47 -5.09 115.26 116.62 2oq3 n ASN 53 Ca -0.05 -1.10 0.01 0.00 -0.60 0.00 0.00 54.58 52.85 2oq3 n ASN 53 Cb 0.67 -0.02 -0.00 0.00 -0.53 0.00 0.00 39.78 39.89 2oq3 n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oq3 n GLY 54 N 0.00 -1.96 3.73 8.20 0.00 -0.20 -4.96 105.19 110.01 2oq3 n GLY 54 Ca 0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 2oq3 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oq3 s PRO 55 N -2.04 2.36 0.00 1.61 0.04 -1.26 -3.98 135.00 131.74 2oq3 s PRO 55 Ca 0.00 1.76 0.11 0.00 0.04 0.00 0.00 61.00 62.91 2oq3 s PRO 55 Cb 0.00 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 2oq3 s PRO 55 CO 0.00 -1.67 0.54 0.66 0.04 0.00 0.00 177.00 176.57 2oq3 n TYR 56 N -2.46 0.00 -3.42 0.56 4.02 -1.26 -4.81 117.16 109.80 2oq3 n TYR 56 Ca 0.13 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.76 2oq3 n TYR 56 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.73 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2oq3 n TYR 57 N -0.98 0.06 -5.20 -0.72 4.01 -1.26 -5.07 117.16 108.00 2oq3 n TYR 57 Ca 0.03 -3.56 -0.31 0.00 -0.16 0.00 0.00 57.90 53.91 2oq3 n TYR 57 Cb 0.20 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 39.01 2oq3 n TYR 57 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2oq3 s ILE 58 N -0.60 1.95 0.00 -0.72 -1.09 -1.26 -0.60 121.20 118.88 2oq3 s ILE 58 Ca 0.33 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2oq3 s ILE 58 Cb 0.07 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.29 2oq3 s ILE 58 CO -0.16 0.54 0.00 0.18 -1.23 0.00 0.00 174.94 174.27 2oq3 n LEU 59 N 2.99 0.42 -3.60 2.97 7.99 -0.50 -4.98 117.00 122.28 2oq3 n LEU 59 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.73 2oq3 n LEU 59 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 2oq3 n LEU 59 CO 0.25 0.07 0.50 0.00 -1.51 0.00 0.00 177.39 176.70 2oq3 s ALA 60 N -1.96 -1.53 -0.38 -1.18 0.00 -1.21 -5.01 121.76 110.49 2oq3 s ALA 60 Ca 0.00 0.30 -0.41 0.00 0.00 0.00 0.00 51.96 51.85 2oq3 s ALA 60 Cb 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 23.12 23.74 2oq3 s ALA 60 CO 0.00 -0.87 1.93 -2.30 0.00 0.00 0.00 175.76 174.52 2oq3 n PRO 61 N -0.39 0.72 -0.72 0.00 -0.02 -1.26 -1.12 135.00 132.21 2oq3 n PRO 61 Ca -0.11 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2oq3 n PRO 61 Cb 0.62 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oq3 n GLY 62 N 5.52 0.84 3.03 -1.23 0.00 -1.26 -4.99 105.19 107.10 2oq3 n GLY 62 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 2oq3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 63 N -3.29 1.53 0.36 1.61 1.01 -0.27 -1.11 120.40 120.24 2oq3 s VAL 63 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2oq3 s VAL 63 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 2oq3 s VAL 63 CO 0.00 0.45 0.03 0.00 0.00 0.00 0.00 175.10 175.58 2oq3 s ALA 64 N 1.30 2.75 -0.37 5.51 0.00 -0.09 -1.41 121.76 129.44 2oq3 s ALA 64 Ca 0.00 -2.17 0.12 0.00 0.00 0.00 0.00 51.96 49.91 2oq3 s ALA 64 Cb -0.14 0.41 0.35 0.00 0.00 0.00 0.00 23.12 23.74 2oq3 s ALA 64 CO -0.07 -0.21 0.73 -0.12 0.00 0.00 0.00 175.76 176.09 2oq3 n MET 65 N -0.82 0.98 -1.68 0.00 0.00 0.23 -1.85 117.12 113.98 2oq3 n MET 65 Ca -0.04 -3.38 -0.45 0.00 0.00 0.00 0.00 57.70 53.83 2oq3 n MET 65 Cb 0.67 -1.71 -0.04 0.00 0.00 0.00 0.00 33.22 32.14 2oq3 n MET 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2oq3 n PRO 66 N 0.28 2.46 -3.78 2.12 -0.02 -1.23 -4.76 135.00 130.06 2oq3 n PRO 66 Ca 0.25 0.90 -0.03 0.00 -2.02 0.00 0.00 63.50 62.59 2oq3 n PRO 66 Cb 0.66 -2.76 -0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2oq3 n PRO 66 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2oq3 s HIS 67 N 3.02 -0.07 0.29 6.00 -3.43 -1.26 -4.10 115.29 115.74 2oq3 s HIS 67 Ca 0.86 -0.27 0.02 0.00 -0.80 0.00 0.00 55.06 54.87 2oq3 s HIS 67 Cb -0.59 0.66 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 2oq3 s HIS 67 CO 0.43 -0.86 0.10 0.00 -2.00 0.00 0.00 174.74 172.41 2oq3 s ALA 68 N -2.95 1.97 0.79 -1.38 0.00 -1.26 -4.85 121.76 114.08 2oq3 s ALA 68 Ca 0.15 -1.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.11 2oq3 s ALA 68 Cb -0.02 0.96 0.04 0.00 0.00 0.00 0.00 23.12 24.11 2oq3 s ALA 68 CO 0.03 -0.43 0.97 0.54 0.00 0.00 0.00 175.76 176.87 2oq3 n ARG 69 N -0.56 0.23 -0.09 0.00 3.00 -1.26 -4.90 116.66 113.08 2oq3 n ARG 69 Ca -0.01 0.14 0.01 0.00 -0.01 0.00 0.00 57.85 57.99 2oq3 n ARG 69 Cb 0.66 -2.24 0.31 0.00 0.00 0.00 0.00 32.46 31.19 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2oq3 h PRO 70 N -0.74 0.73 0.00 5.56 0.13 -1.93 -1.61 132.00 134.13 2oq3 h PRO 70 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2oq3 h PRO 70 Cb 1.31 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2oq3 h PRO 70 CO 0.44 0.55 0.00 0.39 -0.23 0.00 0.00 178.00 179.15 2oq3 n GLU 71 N -4.39 0.11 0.00 0.86 1.02 -1.26 -1.04 120.64 115.94 2oq3 n GLU 71 Ca 0.05 0.40 0.15 0.00 -0.02 0.00 0.00 57.16 57.74 2oq3 n GLU 71 Cb 0.11 -1.73 0.84 0.00 -0.02 0.00 0.00 31.44 30.64 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oq3 n GLY 73 N 1.16 0.94 3.77 0.00 0.00 -0.96 -2.90 105.19 107.20 2oq3 n GLY 73 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2oq3 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oq3 s ALA 74 N -0.94 2.98 0.00 4.61 0.00 -0.20 -0.96 121.76 127.25 2oq3 s ALA 74 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2oq3 s ALA 74 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2oq3 s ALA 74 CO 0.00 -0.70 0.00 1.28 0.00 0.00 0.00 175.76 176.34 2oq3 n LEU 75 N -0.46 0.00 -4.24 0.00 4.77 0.24 -4.84 117.00 112.47 2oq3 n LEU 75 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 2oq3 n LEU 75 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2oq3 n LEU 75 CO 0.48 0.00 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.82 2oq3 s LYS 76 N -1.24 1.44 -0.20 3.23 1.02 -0.36 -4.81 119.74 118.82 2oq3 s LYS 76 Ca 0.00 -1.80 -0.06 0.00 0.02 0.00 0.00 55.97 54.13 2oq3 s LYS 76 Cb 0.00 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 2oq3 s LYS 76 CO 0.00 -0.50 0.04 0.99 -0.92 0.00 0.00 175.35 174.96 2oq3 s THR 77 N -3.85 4.39 0.05 2.17 2.01 -1.26 -3.22 115.64 115.93 2oq3 s THR 77 Ca 0.40 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 2oq3 s THR 77 Cb 0.05 -2.99 0.05 0.00 0.01 0.00 0.00 72.50 69.62 2oq3 s THR 77 CO 0.19 0.43 0.72 0.61 -0.69 0.00 0.00 174.62 175.88 2oq3 n GLY 78 N 4.02 0.60 3.42 4.40 0.00 0.14 -4.94 105.19 112.84 2oq3 n GLY 78 Ca -0.17 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 2oq3 n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2oq3 s MET 79 N -2.02 1.47 0.12 1.61 -1.94 0.74 -0.17 119.30 119.11 2oq3 s MET 79 Ca 0.17 -1.48 0.01 0.00 -1.71 0.00 0.00 55.69 52.68 2oq3 s MET 79 Cb -0.01 0.39 -0.04 0.00 2.01 0.00 0.00 34.83 37.18 2oq3 s MET 79 CO 0.01 -0.57 -0.03 -1.12 -0.01 0.00 0.00 175.02 173.30 2oq3 s SER 80 N -3.11 1.01 -0.26 3.03 0.01 -0.42 -4.28 113.70 109.69 2oq3 s SER 80 Ca 0.30 -1.07 -0.03 0.00 1.31 0.00 0.00 55.95 56.46 2oq3 s SER 80 Cb 0.02 0.13 0.10 0.00 0.21 0.00 0.00 66.02 66.49 2oq3 s SER 80 CO 0.12 -0.53 0.18 -0.22 0.41 0.00 0.00 173.24 173.19 2oq3 s LEU 81 N -3.07 0.22 -0.03 2.44 2.96 0.47 -0.82 118.68 120.85 2oq3 s LEU 81 Ca 0.16 -0.89 0.07 0.00 -0.22 0.00 0.00 54.13 53.25 2oq3 s LEU 81 Cb 0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.72 2oq3 s LEU 81 CO -0.02 -0.40 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.49 2oq3 s THR 82 N 2.20 1.87 -0.03 3.68 2.01 -0.28 -1.21 115.64 123.89 2oq3 s THR 82 Ca 0.08 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2oq3 s THR 82 Cb -0.15 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.80 2oq3 s THR 82 CO -0.28 0.53 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.91 2oq3 s LEU 83 N -0.42 1.57 -0.20 4.42 0.20 -0.81 -0.68 118.68 122.77 2oq3 s LEU 83 Ca 0.05 -0.13 -0.02 0.00 0.69 0.00 0.00 54.13 54.72 2oq3 s LEU 83 Cb -0.10 -0.43 -0.01 0.00 -0.43 0.00 0.00 46.19 45.22 2oq3 s LEU 83 CO 0.00 -0.00 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.22 2oq3 s LEU 84 N 0.53 2.75 0.23 -0.68 1.02 0.12 -0.61 118.68 122.03 2oq3 s LEU 84 Ca -0.07 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 53.59 2oq3 s LEU 84 Cb -0.11 -1.68 0.20 0.00 0.02 0.00 0.00 46.19 44.63 2oq3 s LEU 84 CO 0.00 0.02 1.89 -0.33 0.02 0.00 0.00 176.35 177.95 2oq3 h GLU 85 N 7.78 1.18 0.00 1.70 5.08 -0.52 -2.47 114.58 127.33 2oq3 h GLU 85 Ca -0.39 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2oq3 h GLU 85 Cb 1.17 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2oq3 h GLU 85 CO 0.60 0.81 -0.83 1.96 -1.00 0.00 0.00 179.01 180.55 2oq3 h GLN 86 N 1.20 0.00 0.00 2.33 1.08 -1.20 -3.50 115.11 115.02 2oq3 h GLN 86 Ca 0.32 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.71 2oq3 h GLN 86 Cb -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 2oq3 h GLN 86 CO -0.06 0.06 -0.25 0.41 -0.95 0.00 0.00 178.83 178.03 2oq3 n GLY 87 N 1.19 -1.88 3.42 3.46 0.00 -0.93 -4.97 105.19 105.49 2oq3 n GLY 87 Ca -0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 2oq3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oq3 s VAL 88 N -1.35 0.03 -0.41 1.61 0.11 -0.52 -4.57 120.40 115.30 2oq3 s VAL 88 Ca 0.00 -1.44 0.04 0.00 -2.93 0.00 0.00 61.98 57.65 2oq3 s VAL 88 Cb 0.00 -2.04 0.11 0.00 -1.53 0.00 0.00 36.38 32.92 2oq3 s VAL 88 CO 0.00 -0.14 0.13 -0.47 -3.33 0.00 0.00 175.10 171.29 2oq3 s TYR 89 N -4.01 3.53 0.25 1.54 5.04 -1.26 -0.81 117.35 121.63 2oq3 s TYR 89 Ca 0.21 -3.08 -0.30 0.00 -2.44 0.00 0.00 57.07 51.47 2oq3 s TYR 89 Cb 0.02 -2.88 -0.14 0.00 0.35 0.00 0.00 41.96 39.30 2oq3 s TYR 89 CO 0.05 -0.87 1.10 1.19 -1.34 0.00 0.00 175.55 175.68 2oq3 n PHE 90 N 3.79 1.40 -1.72 4.97 3.72 -1.26 -4.84 117.46 123.52 2oq3 n PHE 90 Ca 0.04 0.66 -0.42 0.00 -0.05 0.00 0.00 57.45 57.69 2oq3 n PHE 90 Cb 0.38 -2.28 -0.03 0.00 -0.94 0.00 0.00 39.48 36.60 2oq3 n PHE 90 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2oq3 n PRO 91 N 1.15 2.76 -0.97 -1.08 -0.04 -1.26 -2.54 135.00 133.02 2oq3 n PRO 91 Ca 0.11 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 2oq3 n PRO 91 Cb 0.30 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 2oq3 n PRO 91 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oq3 n GLY 92 N 3.92 0.21 3.73 0.55 0.00 -1.26 -4.15 105.19 108.18 2oq3 n GLY 92 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2oq3 n GLY 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oq3 s ASN 93 N -2.04 3.14 0.21 1.61 2.47 -1.05 -4.89 114.94 114.40 2oq3 s ASN 93 Ca 0.00 1.15 -0.06 0.00 0.42 0.00 0.00 52.86 54.37 2oq3 s ASN 93 Cb 0.00 -1.79 0.17 0.00 -1.45 0.00 0.00 41.25 38.18 2oq3 s ASN 93 CO 0.00 -2.80 1.68 -0.78 -3.72 0.00 0.00 177.10 171.47 2oq3 h ASP 94 N -1.67 0.93 -5.11 -4.21 3.58 -1.95 -3.48 116.42 104.52 2oq3 h ASP 94 Ca -0.52 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 56.66 2oq3 h ASP 94 Cb 1.32 -0.25 -0.08 0.00 1.72 0.00 0.00 39.33 42.04 2oq3 h ASP 94 CO 0.59 1.00 0.04 -1.83 -2.88 0.00 0.00 179.24 176.16 2oq3 s GLU 95 N -4.95 1.54 0.72 0.28 -1.05 -1.26 -5.18 118.70 108.80 2oq3 s GLU 95 Ca -0.11 -1.01 -0.11 0.00 -0.15 0.00 0.00 54.97 53.59 2oq3 s GLU 95 Cb 0.14 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.38 2oq3 s GLU 95 CO 0.84 -0.66 1.07 -1.25 0.95 0.00 0.00 175.26 176.21 2oq3 s PRO 96 N -3.93 2.70 -0.06 -4.83 0.04 -1.26 -4.71 135.00 122.95 2oq3 s PRO 96 Ca 0.14 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.25 2oq3 s PRO 96 Cb -0.02 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2oq3 s PRO 96 CO 0.03 -1.29 -0.12 0.42 0.04 0.00 0.00 177.00 176.08 2oq3 s ILE 97 N -2.96 3.26 -0.22 0.56 -1.09 0.01 -3.97 121.20 116.78 2oq3 s ILE 97 Ca 0.60 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 2oq3 s ILE 97 Cb -0.15 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 2oq3 s ILE 97 CO 0.54 0.59 0.25 0.29 -1.23 0.00 0.00 174.94 175.38 2oq3 n LYS 98 N 2.37 4.47 -3.77 2.79 5.02 -0.27 -1.44 118.16 127.34 2oq3 n LYS 98 Ca -0.17 -0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 55.82 2oq3 n LYS 98 Cb 0.52 -0.75 -0.13 0.00 -0.02 0.00 0.00 35.03 34.66 2oq3 n LYS 98 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2oq3 s LEU 99 N -1.73 0.86 -0.16 -0.35 2.96 -0.63 -0.71 118.68 118.92 2oq3 s LEU 99 Ca 0.02 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.29 2oq3 s LEU 99 Cb 0.03 0.59 0.06 0.00 0.50 0.00 0.00 46.19 47.36 2oq3 s LEU 99 CO 0.11 -0.12 0.07 -0.76 -1.32 0.00 0.00 176.35 174.33 2oq3 s LEU 100 N 0.76 0.52 -0.35 -0.68 1.02 0.15 -0.92 118.68 119.19 2oq3 s LEU 100 Ca -0.05 -0.56 -0.19 0.00 0.02 0.00 0.00 54.13 53.35 2oq3 s LEU 100 Cb -0.07 -0.32 -0.00 0.00 0.02 0.00 0.00 46.19 45.82 2oq3 s LEU 100 CO -0.04 -0.32 0.55 -0.63 0.02 0.00 0.00 176.35 175.93 2oq3 s ILE 101 N 2.07 4.98 0.58 -0.59 1.09 -0.77 -1.12 121.20 127.43 2oq3 s ILE 101 Ca 0.02 0.41 -0.16 0.00 -1.10 0.00 0.00 60.65 59.81 2oq3 s ILE 101 Cb -0.16 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 2oq3 s ILE 101 CO -0.08 -0.25 1.06 -0.83 -0.10 0.00 0.00 174.94 174.74 2oq3 s GLY 102 N 1.77 2.18 0.01 6.18 0.00 -0.00 -3.52 107.32 113.94 2oq3 s GLY 102 Ca 0.20 0.43 -0.06 0.00 0.00 0.00 0.00 44.72 45.29 2oq3 s GLY 102 CO 0.14 0.75 0.10 -2.27 0.00 0.00 0.00 173.10 171.82 2oq3 s LEU 103 N -4.36 1.70 -0.05 0.66 0.20 -1.26 -1.30 118.68 114.28 2oq3 s LEU 103 Ca 0.64 -0.29 -0.06 0.00 0.69 0.00 0.00 54.13 55.11 2oq3 s LEU 103 Cb -0.16 0.56 0.01 0.00 -0.43 0.00 0.00 46.19 46.17 2oq3 s LEU 103 CO 0.35 -0.37 0.15 -0.94 -0.29 0.00 0.00 176.35 175.25 2oq3 s SER 104 N -1.47 -0.12 -0.15 3.68 1.04 0.77 -4.70 113.70 112.74 2oq3 s SER 104 Ca -0.14 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 2oq3 s SER 104 Cb -0.08 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.40 2oq3 s SER 104 CO 0.01 -0.13 0.38 0.00 0.98 0.00 0.00 173.24 174.48 2oq3 s ALA 105 N -0.25 -0.95 -0.25 5.32 0.00 -1.20 -0.68 121.76 123.74 2oq3 s ALA 105 Ca -0.03 1.33 0.27 0.00 0.00 0.00 0.00 51.96 53.53 2oq3 s ALA 105 Cb -0.03 -0.81 0.74 0.00 0.00 0.00 0.00 23.12 23.02 2oq3 s ALA 105 CO 0.01 -0.23 1.75 0.00 0.00 0.00 0.00 175.76 177.29 2oq3 h ALA 106 N 6.70 1.00 -2.64 0.00 0.00 -1.87 -3.41 119.26 119.05 2oq3 h ALA 106 Ca -0.35 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2oq3 h ALA 106 Cb 1.18 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 2oq3 h ALA 106 CO 0.30 0.00 -0.67 0.34 0.00 0.00 0.00 179.25 179.22 2oq3 s ASP 107 N -5.97 0.33 0.32 0.00 2.15 -1.26 -4.93 116.67 107.32 2oq3 s ASP 107 Ca 0.05 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.34 2oq3 s ASP 107 Cb 0.07 0.16 0.57 0.00 -0.30 0.00 0.00 42.92 43.41 2oq3 s ASP 107 CO 0.62 -0.45 1.96 0.00 -0.17 0.00 0.00 175.17 177.13 2oq3 h ALA 108 N 3.93 1.53 -0.01 3.66 0.00 -1.99 0.00 119.26 126.38 2oq3 h ALA 108 Ca -0.33 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2oq3 h ALA 108 Cb 1.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2oq3 h ALA 108 CO 0.52 0.39 -0.59 0.22 0.00 0.00 0.00 179.25 179.79 2oq3 h ASP 109 N 0.96 0.02 -0.30 0.00 3.58 -1.99 -1.25 116.42 117.45 2oq3 h ASP 109 Ca 0.31 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.67 2oq3 h ASP 109 Cb 0.04 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2oq3 h ASP 109 CO -0.09 0.61 -0.08 0.28 -2.88 0.00 0.00 179.24 177.08 2oq3 h SER 110 N 0.01 0.69 -0.12 2.28 0.02 -1.64 -0.29 113.55 114.50 2oq3 h SER 110 Ca -0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2oq3 h SER 110 Cb 1.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2oq3 h SER 110 CO 0.08 0.81 0.07 0.45 -1.14 0.00 0.00 176.83 177.10 2oq3 h HIS 111 N 0.65 0.14 0.13 3.45 3.86 -0.46 -0.93 115.15 121.99 2oq3 h HIS 111 Ca 0.12 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2oq3 h HIS 111 Cb 0.52 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 2oq3 h HIS 111 CO 0.02 0.09 -0.27 0.82 0.86 0.00 0.00 177.93 179.45 2oq3 h ILE 112 N 0.15 0.41 -0.86 2.45 1.08 -0.90 0.70 117.51 120.55 2oq3 h ILE 112 Ca 0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2oq3 h ILE 112 Cb -0.01 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 2oq3 h ILE 112 CO -0.02 0.00 0.49 1.23 -0.69 0.00 0.00 178.15 179.16 2oq3 h GLY 113 N -0.49 1.27 0.72 5.37 0.00 -0.96 0.22 103.07 109.20 2oq3 h GLY 113 Ca 0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2oq3 h GLY 113 CO -0.15 0.53 -0.17 0.00 0.00 0.00 0.00 176.54 176.75 2oq3 h ALA 114 N 1.34 -0.49 -0.52 3.60 0.00 -0.85 -2.26 119.26 120.08 2oq3 h ALA 114 Ca 0.30 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2oq3 h ALA 114 Cb 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2oq3 h ALA 114 CO -0.05 -0.63 0.02 0.82 0.00 0.00 0.00 179.25 179.41 2oq3 h ILE 115 N -0.77 0.61 0.00 0.00 1.08 -0.67 0.08 117.51 117.83 2oq3 h ILE 115 Ca -0.05 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2oq3 h ILE 115 Cb 0.52 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2oq3 h ILE 115 CO 0.08 0.03 0.00 1.56 -0.69 0.00 0.00 178.15 179.13 2oq3 h GLN 116 N 0.14 0.00 0.03 2.37 1.08 -0.86 0.11 115.11 117.98 2oq3 h GLN 116 Ca 0.27 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.29 2oq3 h GLN 116 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2oq3 h GLN 116 CO -0.42 0.00 -0.91 0.00 -0.95 0.00 0.00 178.83 176.54 2oq3 h ALA 117 N 2.07 0.16 0.00 3.87 0.00 -0.45 -3.37 119.26 121.54 2oq3 h ALA 117 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 53.92 2oq3 h ALA 117 Cb 0.31 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2oq3 h ALA 117 CO 0.00 0.52 -0.13 1.37 0.00 0.00 0.00 179.25 181.00 2oq3 h LEU 118 N -0.82 0.00 -2.31 0.00 8.10 -0.60 -1.18 115.31 118.51 2oq3 h LEU 118 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.75 2oq3 h LEU 118 Cb 1.33 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.55 2oq3 h LEU 118 CO -0.08 0.13 -0.04 0.28 -4.11 0.00 0.00 178.44 174.62 2oq3 h SER 119 N 0.00 0.00 0.54 0.17 0.02 -0.95 0.25 113.55 113.58 2oq3 h SER 119 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 119 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2oq3 h SER 119 CO 0.02 0.04 0.00 -0.33 -1.14 0.00 0.00 176.83 175.42 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.36 -2.38 114.58 118.67 2oq3 h GLU 120 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2oq3 h GLU 120 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2oq3 h GLU 120 CO 0.01 0.00 -0.52 1.28 -1.16 0.00 0.00 179.01 178.62 2oq3 n LEU 121 N -2.68 1.44 0.31 1.33 4.77 0.04 -4.57 117.00 117.64 2oq3 n LEU 121 Ca -0.00 0.22 0.20 0.00 -0.03 0.00 0.00 56.01 56.40 2oq3 n LEU 121 Cb 0.18 -0.54 1.03 0.00 -2.33 0.00 0.00 43.42 41.76 2oq3 n LEU 121 CO 0.20 -0.48 1.12 -0.07 -1.33 0.00 0.00 177.39 176.83 2oq3 h LEU 122 N -0.52 0.00 -3.37 2.23 3.38 -0.72 -2.27 115.31 114.04 2oq3 h LEU 122 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2oq3 h LEU 122 Cb 0.52 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 2oq3 h LEU 122 CO 0.00 0.01 0.01 0.00 0.09 0.00 0.00 178.44 178.55 2oq3 s GLU 124 N -3.10 0.78 0.56 0.00 0.41 -0.85 -4.98 118.70 111.51 2oq3 s GLU 124 Ca 0.45 -1.24 0.26 0.00 -0.41 0.00 0.00 54.97 54.03 2oq3 s GLU 124 Cb 0.39 -1.96 1.50 0.00 -1.78 0.00 0.00 34.13 32.28 2oq3 s GLU 124 CO 0.04 -1.04 2.05 1.05 -0.49 0.00 0.00 175.26 176.87 2oq3 h GLU 125 N 7.77 0.00 -0.37 1.61 4.11 -1.88 0.08 114.58 125.90 2oq3 h GLU 125 Ca -0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.29 2oq3 h GLU 125 Cb 0.99 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2oq3 h GLU 125 CO 0.46 0.00 0.06 0.93 0.07 0.00 0.00 179.01 180.53 2oq3 h GLU 126 N 0.00 0.62 -0.38 1.06 5.08 -1.95 -2.36 114.58 116.64 2oq3 h GLU 126 Ca 0.15 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2oq3 h GLU 126 Cb 0.67 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2oq3 h GLU 126 CO -0.00 0.68 -0.05 0.82 -1.00 0.00 0.00 179.01 179.45 2oq3 h ILE 127 N 0.46 1.27 -0.73 3.13 5.03 -1.35 -3.06 117.51 122.26 2oq3 h ILE 127 Ca 0.11 -1.10 0.08 0.00 -0.12 0.00 0.00 64.86 63.83 2oq3 h ILE 127 Cb 0.36 1.21 -0.07 0.00 -3.03 0.00 0.00 36.82 35.29 2oq3 h ILE 127 CO 0.01 0.37 0.40 -0.07 -0.68 0.00 0.00 178.15 178.17 2oq3 h LEU 128 N 0.52 0.56 -0.62 1.44 3.38 -0.79 0.51 115.31 120.31 2oq3 h LEU 128 Ca 0.10 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2oq3 h LEU 128 Cb 0.55 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2oq3 h LEU 128 CO 0.03 0.34 -0.15 -0.33 0.09 0.00 0.00 178.44 178.42 2oq3 h GLU 129 N 0.70 0.92 -0.12 1.13 5.08 -1.48 0.12 114.58 120.93 2oq3 h GLU 129 Ca 0.34 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2oq3 h GLU 129 Cb 0.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2oq3 h GLU 129 CO -0.23 1.01 -0.47 1.96 -1.00 0.00 0.00 179.01 180.28 2oq3 h GLN 130 N 0.81 0.30 0.38 2.33 4.20 -1.02 -1.22 115.11 120.89 2oq3 h GLN 130 Ca 0.12 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2oq3 h GLN 130 Cb 0.70 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2oq3 h GLN 130 CO 0.05 0.72 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.68 2oq3 h LEU 131 N 0.24 -0.43 -0.56 1.46 3.38 -0.85 -3.15 115.31 115.40 2oq3 h LEU 131 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2oq3 h LEU 131 Cb 0.93 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2oq3 h LEU 131 CO 0.08 -0.02 0.07 0.18 0.09 0.00 0.00 178.44 178.84 2oq3 n LEU 132 N -5.15 0.22 -0.37 1.67 4.77 0.40 -0.56 117.00 117.97 2oq3 n LEU 132 Ca -0.09 0.56 0.04 0.00 -0.03 0.00 0.00 56.01 56.48 2oq3 n LEU 132 Cb 0.28 -0.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2oq3 n LEU 132 CO 0.27 -0.63 0.53 0.35 -1.33 0.00 0.00 177.39 176.58 2oq3 n THR 133 N -1.77 0.75 -1.60 -5.08 -2.24 -0.49 -5.00 114.28 98.84 2oq3 n THR 133 Ca -0.01 -0.87 -0.43 0.00 -2.27 0.00 0.00 64.05 60.47 2oq3 n THR 133 Cb 0.08 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 2oq3 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oq3 n ALA 134 N 0.21 1.74 0.20 6.98 0.00 0.28 -4.87 120.51 125.05 2oq3 n ALA 134 Ca 0.07 -0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2oq3 n ALA 134 Cb 0.31 -2.89 0.42 0.00 0.00 0.00 0.00 19.45 17.30 2oq3 n ALA 134 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2oq3 h SER 135 N 14.62 0.00 -5.14 0.00 0.02 -1.92 -3.46 113.55 117.67 2oq3 h SER 135 Ca -0.41 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 2oq3 h SER 135 Cb 1.24 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.65 2oq3 h SER 135 CO 0.96 0.33 -0.25 -0.44 -1.14 0.00 0.00 176.83 176.29 2oq3 s SER 136 N -6.66 -0.02 0.42 3.07 0.01 -1.26 -5.05 113.70 104.21 2oq3 s SER 136 Ca -0.02 -0.55 0.15 0.00 1.31 0.00 0.00 55.95 56.84 2oq3 s SER 136 Cb 0.13 0.40 1.04 0.00 0.21 0.00 0.00 66.02 67.80 2oq3 s SER 136 CO 0.69 -0.79 1.91 -0.33 0.41 0.00 0.00 173.24 175.13 2oq3 h GLU 137 N 2.59 0.42 -0.95 12.44 3.07 -1.91 -2.09 114.58 128.14 2oq3 h GLU 137 Ca -0.34 -0.03 0.16 0.00 -0.50 0.00 0.00 59.36 58.66 2oq3 h GLU 137 Cb 1.22 -0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.95 2oq3 h GLU 137 CO 0.52 0.28 0.60 -0.22 -1.40 0.00 0.00 179.01 178.79 2oq3 h LYS 138 N 0.44 0.73 0.00 2.33 1.63 -1.98 -0.10 116.57 119.61 2oq3 h LYS 138 Ca 0.38 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.97 2oq3 h LYS 138 Cb 0.85 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 2oq3 h LYS 138 CO -0.13 0.48 -0.83 0.37 -3.45 0.00 0.00 179.45 175.90 2oq3 h GLN 139 N 0.75 0.00 0.04 1.90 5.75 -1.78 -0.22 115.11 121.54 2oq3 h GLN 139 Ca 0.50 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.99 2oq3 h GLN 139 Cb 0.77 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2oq3 h GLN 139 CO -0.26 0.74 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.57 2oq3 h LEU 140 N 0.00 -0.04 -1.55 -2.39 3.38 -1.21 -2.81 115.31 110.69 2oq3 h LEU 140 Ca -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2oq3 h LEU 140 Cb 1.61 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 2oq3 h LEU 140 CO 0.10 0.24 0.21 0.00 0.09 0.00 0.00 178.44 179.08 2oq3 h ALA 141 N 0.63 1.66 -0.66 1.53 0.00 -1.05 -2.03 119.26 119.33 2oq3 h ALA 141 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2oq3 h ALA 141 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2oq3 h ALA 141 CO 0.01 0.29 0.44 0.22 0.00 0.00 0.00 179.25 180.21 2oq3 h ASP 142 N 0.52 0.75 0.08 0.00 3.58 -0.95 0.08 116.42 120.49 2oq3 h ASP 142 Ca 0.14 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.43 2oq3 h ASP 142 Cb 0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2oq3 h ASP 142 CO -0.02 0.54 -0.49 0.40 -2.88 0.00 0.00 179.24 176.78 2oq3 h ILE 143 N 0.89 1.32 0.07 2.25 2.04 -1.13 -0.79 117.51 122.16 2oq3 h ILE 143 Ca 0.25 -1.72 0.01 0.00 1.00 0.00 0.00 64.86 64.40 2oq3 h ILE 143 Cb -0.09 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2oq3 h ILE 143 CO -0.06 0.53 -0.15 0.40 0.00 0.00 0.00 178.15 178.87 2oq3 h ILE 144 N 0.37 0.65 0.00 -0.67 1.08 -1.11 -3.05 117.51 114.79 2oq3 h ILE 144 Ca 0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.45 2oq3 h ILE 144 Cb 1.00 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 2oq3 h ILE 144 CO 0.09 0.00 -0.20 0.28 -0.69 0.00 0.00 178.15 177.63 2oq3 h SER 145 N -0.28 0.00 -0.03 1.72 0.02 -0.36 -1.29 113.55 113.33 2oq3 h SER 145 Ca 0.03 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2oq3 h SER 145 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2oq3 h SER 145 CO -0.10 0.20 0.04 -0.09 -1.14 0.00 0.00 176.83 175.75 2oq3 h ARG 146 N 0.00 0.00 -0.01 3.45 2.43 -1.05 -3.47 114.38 115.73 2oq3 h ARG 146 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2oq3 h ARG 146 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2oq3 h ARG 146 CO 0.03 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.90