#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 3.90 0.28 2.12 1.81 -1.26 -4.48 118.95 121.31 2oq3 s ARG 2 Ca 0.00 2.08 -0.03 0.00 -1.72 0.00 0.00 55.73 56.06 2oq3 s ARG 2 Cb 0.00 -4.10 0.40 0.00 -0.45 0.00 0.00 34.95 30.80 2oq3 s ARG 2 CO 0.00 -1.20 1.94 -0.07 -0.68 0.00 0.00 175.30 175.29 2oq3 h LEU 3 N 11.49 1.02 -1.46 2.53 -0.00 -1.82 -2.14 115.31 124.92 2oq3 h LEU 3 Ca -0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 2oq3 h LEU 3 Cb 1.19 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2oq3 h LEU 3 CO 0.97 0.71 0.02 -1.54 -0.00 0.00 0.00 178.44 178.60 2oq3 n SER 4 N -4.43 0.57 0.07 -0.43 3.41 -1.26 -1.00 113.62 110.55 2oq3 n SER 4 Ca 0.12 0.76 -0.02 0.00 -0.26 0.00 0.00 58.87 59.47 2oq3 n SER 4 Cb 0.07 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.13 2oq3 n SER 4 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2oq3 h ASP 5 N 0.00 0.00 0.05 4.04 3.58 -1.78 -3.39 116.42 118.92 2oq3 h ASP 5 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 2oq3 h ASP 5 Cb 0.03 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 2oq3 h ASP 5 CO 0.00 0.71 -2.31 -1.22 -2.88 0.00 0.00 179.24 173.54 2oq3 n TYR 6 N -3.14 0.39 -3.14 0.28 4.01 -0.17 -4.90 117.16 110.48 2oq3 n TYR 6 Ca -0.04 0.09 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 2oq3 n TYR 6 Cb 0.86 -1.05 -0.05 0.00 -0.31 0.00 0.00 39.34 38.78 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 2oq3 s PHE 7 N -2.53 3.47 0.00 -0.72 -0.71 -0.78 -0.67 117.98 116.04 2oq3 s PHE 7 Ca -0.29 1.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.62 2oq3 s PHE 7 Cb 0.08 -2.74 0.00 0.00 -1.21 0.00 0.00 43.02 39.15 2oq3 s PHE 7 CO 0.67 -0.01 0.36 -0.35 -1.34 0.00 0.00 175.22 174.55 2oq3 n PRO 8 N 4.33 0.00 0.13 1.99 -0.04 -1.26 -4.81 135.00 135.35 2oq3 n PRO 8 Ca -0.03 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2oq3 n PRO 8 Cb 0.51 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 2oq3 n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2oq3 n GLU 9 N -1.06 0.00 0.00 0.54 2.13 -1.26 -4.91 120.64 116.08 2oq3 n GLU 9 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2oq3 n GLU 9 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -3.10 0.09 0.25 4.31 7.64 -1.26 -4.02 113.62 117.53 2oq3 n SER 10 Ca 0.00 -1.00 0.13 0.00 1.01 0.00 0.00 58.87 59.00 2oq3 n SER 10 Cb 0.00 -0.04 0.61 0.00 -1.01 0.00 0.00 64.21 63.76 2oq3 n SER 10 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2oq3 h SER 11 N 0.09 0.00 -2.73 6.43 0.02 -1.89 -3.44 113.55 112.02 2oq3 h SER 11 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2oq3 h SER 11 Cb 0.04 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 2oq3 h SER 11 CO 0.00 0.15 -0.44 -0.63 -1.14 0.00 0.00 176.83 174.77 2oq3 s ILE 12 N -3.83 5.43 -0.27 3.27 -1.09 -1.26 -0.56 121.20 122.90 2oq3 s ILE 12 Ca -0.01 0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 58.58 2oq3 s ILE 12 Cb 0.11 -3.45 0.08 0.00 -1.58 0.00 0.00 42.46 37.62 2oq3 s ILE 12 CO 0.60 0.60 0.65 -0.44 -1.23 0.00 0.00 174.94 175.12 2oq3 s SER 13 N -0.94 -0.91 -0.01 3.58 0.01 -0.75 -4.98 113.70 109.69 2oq3 s SER 13 Ca 0.16 1.45 -0.09 0.00 1.31 0.00 0.00 55.95 58.78 2oq3 s SER 13 Cb -0.13 1.44 -0.05 0.00 0.21 0.00 0.00 66.02 67.50 2oq3 s SER 13 CO 0.05 -0.23 0.29 0.54 0.41 0.00 0.00 173.24 174.30 2oq3 s VAL 14 N 1.80 5.26 0.02 3.43 0.11 -1.26 -1.55 120.40 128.22 2oq3 s VAL 14 Ca -0.09 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 2oq3 s VAL 14 Cb -0.06 -3.57 -0.02 0.00 -1.53 0.00 0.00 36.38 31.19 2oq3 s VAL 14 CO -0.19 0.44 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.35 2oq3 s ILE 15 N -1.22 0.27 0.05 7.04 1.01 0.55 -4.94 121.20 123.97 2oq3 s ILE 15 Ca 0.25 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 2oq3 s ILE 15 Cb -0.14 -0.37 -0.15 0.00 0.01 0.00 0.00 42.46 41.81 2oq3 s ILE 15 CO 0.14 -0.38 1.49 0.45 0.00 0.00 0.00 174.94 176.63 2oq3 h HIS 16 N 4.79 0.15 -1.52 3.97 3.86 -1.94 0.79 115.15 125.26 2oq3 h HIS 16 Ca -0.32 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 58.95 2oq3 h HIS 16 Cb 1.21 -0.04 -0.24 0.00 1.06 0.00 0.00 27.41 29.40 2oq3 h HIS 16 CO 0.62 0.38 0.57 -1.54 0.86 0.00 0.00 177.93 178.82 2oq3 s SER 17 N -5.62 -0.35 0.60 2.45 1.04 -1.26 -0.79 113.70 109.77 2oq3 s SER 17 Ca -0.14 0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.55 2oq3 s SER 17 Cb 0.05 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 2oq3 s SER 17 CO 0.69 -0.29 1.09 0.00 0.98 0.00 0.00 173.24 175.72 2oq3 s ALA 18 N -0.90 2.62 0.24 5.32 0.00 -1.26 -4.94 121.76 122.83 2oq3 s ALA 18 Ca -0.00 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 2oq3 s ALA 18 Cb -0.01 -3.30 0.38 0.00 0.00 0.00 0.00 23.12 20.19 2oq3 s ALA 18 CO -0.00 -0.97 1.79 -0.22 0.00 0.00 0.00 175.76 176.35 2oq3 h LYS 19 N 0.51 0.65 -2.77 0.00 3.11 -1.99 -3.46 116.57 112.62 2oq3 h LYS 19 Ca -0.48 -0.04 0.07 0.00 -2.81 0.00 0.00 60.65 57.40 2oq3 h LYS 19 Cb 1.24 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 2oq3 h LYS 19 CO 0.56 0.43 0.40 0.16 -2.81 0.00 0.00 179.45 178.19 2oq3 s ASP 20 N -5.53 -0.04 0.37 4.20 -4.77 -1.26 -5.00 116.67 104.65 2oq3 s ASP 20 Ca -0.12 -0.85 0.10 0.00 -3.30 0.00 0.00 52.55 48.37 2oq3 s ASP 20 Cb 0.19 0.68 0.85 0.00 -1.09 0.00 0.00 42.92 43.55 2oq3 s ASP 20 CO 0.77 -1.33 1.90 4.11 0.70 0.00 0.00 175.17 181.31 2oq3 h TRP 21 N 2.00 0.74 -0.02 2.11 0.09 -1.89 0.16 115.95 119.14 2oq3 h TRP 21 Ca -0.28 0.02 -0.00 0.00 0.09 0.00 0.00 58.89 58.72 2oq3 h TRP 21 Cb 1.24 -0.24 -0.00 0.00 0.08 0.00 0.00 29.16 30.24 2oq3 h TRP 21 CO 1.17 0.30 0.01 1.96 0.09 0.00 0.00 178.44 181.97 2oq3 h GLN 22 N 0.65 0.03 -0.14 0.12 4.20 -1.96 -2.69 115.11 115.31 2oq3 h GLN 22 Ca 0.41 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 2oq3 h GLN 22 Cb 0.66 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2oq3 h GLN 22 CO -0.17 0.14 0.06 1.49 -0.67 0.00 0.00 178.83 179.69 2oq3 h GLU 23 N -0.10 0.19 -0.40 1.46 4.57 -1.65 -1.37 114.58 117.28 2oq3 h GLU 23 Ca 0.01 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2oq3 h GLU 23 Cb 0.13 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2oq3 h GLU 23 CO -0.00 0.16 -0.12 0.00 -1.18 0.00 0.00 179.01 177.87 2oq3 h ALA 24 N 1.87 1.04 -0.27 2.92 0.00 -0.44 0.26 119.26 124.66 2oq3 h ALA 24 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2oq3 h ALA 24 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2oq3 h ALA 24 CO -0.01 0.58 -0.06 0.82 0.00 0.00 0.00 179.25 180.59 2oq3 h ILE 25 N 0.64 1.28 -0.43 0.00 2.04 -1.10 -1.77 117.51 118.17 2oq3 h ILE 25 Ca 0.11 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.94 2oq3 h ILE 25 Cb 0.58 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2oq3 h ILE 25 CO 0.04 0.34 0.20 -0.78 0.00 0.00 0.00 178.15 177.95 2oq3 h ASP 26 N 0.27 0.28 -0.42 1.72 1.82 -0.34 -0.23 116.42 119.52 2oq3 h ASP 26 Ca 0.07 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.69 2oq3 h ASP 26 Cb 0.53 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 2oq3 h ASP 26 CO 0.03 0.20 0.12 -0.26 -1.61 0.00 0.00 179.24 177.72 2oq3 h PHE 27 N 0.41 0.75 0.00 0.28 0.04 -0.55 0.27 116.94 118.14 2oq3 h PHE 27 Ca 0.19 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 2oq3 h PHE 27 Cb 0.12 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 2oq3 h PHE 27 CO -0.11 0.64 -0.02 0.77 -0.60 0.00 0.00 178.31 178.99 2oq3 h SER 28 N 0.71 0.00 0.00 2.17 0.02 -0.14 -3.32 113.55 112.99 2oq3 h SER 28 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2oq3 h SER 28 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2oq3 h SER 28 CO -0.00 0.02 -0.77 0.23 -1.14 0.00 0.00 176.83 175.16 2oq3 n MET 29 N -3.26 1.37 -0.11 3.45 2.81 -0.68 -3.82 117.12 116.88 2oq3 n MET 29 Ca -0.02 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.88 2oq3 n MET 29 Cb 0.14 -0.88 0.31 0.00 -0.71 0.00 0.00 33.22 32.08 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 1.17 0.00 2.03 3.04 -0.59 0.08 116.25 121.98 2oq3 h VAL 30 Ca 0.00 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.28 2oq3 h VAL 30 Cb 0.00 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 29.67 2oq3 h VAL 30 CO 0.00 0.18 -0.06 0.28 -1.01 0.00 0.00 177.57 176.96 2oq3 h SER 31 N 0.78 0.00 0.13 3.17 0.02 -1.84 0.13 113.55 115.94 2oq3 h SER 31 Ca 0.20 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 31 Cb -0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2oq3 h SER 31 CO -0.04 0.06 -1.17 -0.07 -1.14 0.00 0.00 176.83 174.47 2oq3 h LEU 32 N 0.00 0.43 -0.76 5.07 3.38 -1.42 -3.37 115.31 118.65 2oq3 h LEU 32 Ca -0.00 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.13 2oq3 h LEU 32 Cb 0.40 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2oq3 h LEU 32 CO 0.01 1.53 0.46 0.25 0.09 0.00 0.00 178.44 180.77 2oq3 h LEU 33 N -0.32 0.71 -1.99 1.67 5.85 -0.20 -0.27 115.31 120.76 2oq3 h LEU 33 Ca -0.24 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.53 2oq3 h LEU 33 Cb 1.73 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 2oq3 h LEU 33 CO 0.10 0.46 0.09 -0.78 -0.34 0.00 0.00 178.44 177.97 2oq3 h ASP 34 N 0.84 0.02 -0.34 1.25 3.58 -0.94 -1.16 116.42 119.67 2oq3 h ASP 34 Ca 0.33 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 2oq3 h ASP 34 Cb 0.16 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2oq3 h ASP 34 CO -0.17 0.01 0.01 0.29 -2.88 0.00 0.00 179.24 176.50 2oq3 n LYS 35 N -4.51 3.21 -4.14 0.28 5.02 -0.97 -4.96 118.16 112.10 2oq3 n LYS 35 Ca -0.00 -2.93 -0.35 0.00 -2.02 0.00 0.00 58.31 53.01 2oq3 n LYS 35 Cb 0.19 -1.93 -0.05 0.00 -0.02 0.00 0.00 35.03 33.22 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 -0.36 -2.26 0.29 4.39 2.04 -0.44 -4.85 115.26 114.07 2oq3 n ASN 36 Ca 0.24 -0.92 0.18 0.00 -0.44 0.00 0.00 54.58 53.64 2oq3 n ASN 36 Cb 0.98 -1.93 0.84 0.00 -2.53 0.00 0.00 39.78 37.14 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 2oq3 h TYR 37 N -0.93 0.00 -3.98 -2.53 0.05 -1.27 -3.40 116.97 104.91 2oq3 h TYR 37 Ca -0.52 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.06 2oq3 h TYR 37 Cb 1.34 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.99 2oq3 h TYR 37 CO 0.71 0.04 -0.18 0.96 -1.05 0.00 0.00 178.16 178.64 2oq3 s ILE 38 N -3.92 0.00 0.36 -2.88 -4.36 -1.26 -0.57 121.20 108.58 2oq3 s ILE 38 Ca -0.02 -1.55 0.08 0.00 -0.26 0.00 0.00 60.65 58.91 2oq3 s ILE 38 Cb 0.11 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 2oq3 s ILE 38 CO 0.52 0.00 0.11 -0.94 0.24 0.00 0.00 174.94 174.87 2oq3 s SER 39 N -3.17 4.46 0.48 4.36 1.04 -0.44 -4.69 113.70 115.74 2oq3 s SER 39 Ca 0.28 -0.92 0.19 0.00 0.48 0.00 0.00 55.95 55.98 2oq3 s SER 39 Cb -0.00 -0.60 1.21 0.00 0.10 0.00 0.00 66.02 66.73 2oq3 s SER 39 CO 0.17 -0.35 2.04 -0.33 0.98 0.00 0.00 173.24 175.75 2oq3 h GLU 40 N 1.59 0.00 -0.74 4.02 3.07 -1.96 -2.14 114.58 118.42 2oq3 h GLU 40 Ca -0.43 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 2oq3 h GLU 40 Cb 1.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.13 2oq3 h GLU 40 CO 0.66 0.14 0.40 -0.97 -1.40 0.00 0.00 179.01 177.84 2oq3 h ASN 41 N 0.00 0.92 -0.32 1.42 -1.24 -1.94 -1.87 115.58 112.56 2oq3 h ASN 41 Ca -0.00 -0.08 0.04 0.00 0.71 0.00 0.00 56.30 56.97 2oq3 h ASN 41 Cb 0.28 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 2oq3 h ASN 41 CO 0.02 0.75 0.10 0.22 -1.29 0.00 0.00 177.43 177.23 2oq3 h TYR 42 N 1.03 0.18 -0.01 0.67 3.20 -1.23 -0.40 116.97 120.41 2oq3 h TYR 42 Ca 0.26 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.16 2oq3 h TYR 42 Cb 0.04 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2oq3 h TYR 42 CO 0.01 0.07 -0.03 0.82 -1.64 0.00 0.00 178.16 177.39 2oq3 h ILE 43 N 0.23 0.91 0.00 1.81 2.04 -1.51 -2.85 117.51 118.15 2oq3 h ILE 43 Ca 0.14 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 2oq3 h ILE 43 Cb 0.12 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2oq3 h ILE 43 CO -0.15 0.00 -0.30 -0.61 0.00 0.00 0.00 178.15 177.09 2oq3 h GLN 44 N -0.05 0.00 -0.70 2.37 5.75 -0.88 -1.88 115.11 119.71 2oq3 h GLN 44 Ca 0.02 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 2oq3 h GLN 44 Cb 0.07 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 2oq3 h GLN 44 CO -0.04 0.30 0.43 0.00 -2.65 0.00 0.00 178.83 176.86 2oq3 h ALA 45 N 1.70 0.93 -0.03 3.38 0.00 -0.84 0.49 119.26 124.89 2oq3 h ALA 45 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2oq3 h ALA 45 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2oq3 h ALA 45 CO 0.04 0.17 -0.01 0.82 0.00 0.00 0.00 179.25 180.26 2oq3 h ILE 46 N 0.81 1.32 -0.29 0.00 2.04 -1.31 -2.55 117.51 117.53 2oq3 h ILE 46 Ca 0.29 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2oq3 h ILE 46 Cb 0.08 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2oq3 h ILE 46 CO -0.13 0.26 0.19 0.11 0.00 0.00 0.00 178.15 178.57 2oq3 h LYS 47 N -0.32 0.38 -0.45 2.37 1.57 -1.07 0.18 116.57 119.22 2oq3 h LYS 47 Ca 0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2oq3 h LYS 47 Cb 0.43 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2oq3 h LYS 47 CO 0.00 0.27 0.16 0.22 -0.57 0.00 0.00 179.45 179.53 2oq3 h ASP 48 N 0.39 0.64 -0.45 0.86 3.58 -0.95 -0.31 116.42 120.18 2oq3 h ASP 48 Ca 0.11 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2oq3 h ASP 48 Cb -0.03 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2oq3 h ASP 48 CO -0.02 0.66 0.19 0.28 -2.88 0.00 0.00 179.24 177.47 2oq3 h SER 49 N 0.59 0.61 -0.95 2.28 0.02 -1.27 -0.86 113.55 113.98 2oq3 h SER 49 Ca 0.15 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2oq3 h SER 49 Cb 0.23 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 2oq3 h SER 49 CO -0.01 0.60 0.61 0.74 -1.14 0.00 0.00 176.83 177.63 2oq3 h THR 50 N 0.59 1.10 -0.10 -2.27 2.02 -0.53 0.14 112.91 113.85 2oq3 h THR 50 Ca 0.15 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2oq3 h THR 50 Cb 0.17 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2oq3 h THR 50 CO -0.01 0.21 -0.06 0.40 0.37 0.00 0.00 175.52 176.43 2oq3 h ILE 51 N 1.14 1.33 0.02 3.11 2.04 -0.75 -1.43 117.51 122.96 2oq3 h ILE 51 Ca 0.40 -1.10 -0.20 0.00 1.00 0.00 0.00 64.86 64.96 2oq3 h ILE 51 Cb 0.11 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2oq3 h ILE 51 CO -0.15 0.31 -0.96 0.78 0.00 0.00 0.00 178.15 178.13 2oq3 h ASN 52 N -0.15 0.10 0.00 1.72 2.35 -0.74 -3.37 115.58 115.50 2oq3 h ASN 52 Ca 0.02 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2oq3 h ASN 52 Cb 0.52 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2oq3 h ASN 52 CO 0.02 1.00 0.00 -3.20 -1.65 0.00 0.00 177.43 173.59 2oq3 n ASN 53 N -3.49 0.15 0.00 5.81 2.85 0.43 -5.08 115.26 115.93 2oq3 n ASN 53 Ca -0.02 -0.53 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 2oq3 n ASN 53 Cb 0.88 0.71 0.00 0.00 1.24 0.00 0.00 39.78 42.61 2oq3 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2oq3 n GLY 54 N 0.71 -1.14 3.75 8.20 0.00 -0.54 -4.96 105.19 111.23 2oq3 n GLY 54 Ca 0.00 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.35 3.00 -0.03 1.61 0.04 -1.25 -4.02 135.00 132.01 2oq3 s PRO 55 Ca 0.00 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2oq3 s PRO 55 Cb 0.00 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.57 2oq3 s PRO 55 CO 0.00 -1.22 0.94 2.48 0.04 0.00 0.00 177.00 179.24 2oq3 n TYR 56 N -1.42 0.00 -3.32 0.56 4.11 -1.26 -4.84 117.16 110.99 2oq3 n TYR 56 Ca 0.13 -0.25 -0.26 0.00 -0.00 0.00 0.00 57.90 57.52 2oq3 n TYR 56 Cb 0.48 -0.06 -0.09 0.00 -0.00 0.00 0.00 39.34 39.67 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2oq3 n TYR 57 N -0.34 -0.84 -4.52 -3.48 4.01 -1.26 -5.07 117.16 105.65 2oq3 n TYR 57 Ca 0.03 -3.34 -0.22 0.00 -0.16 0.00 0.00 57.90 54.22 2oq3 n TYR 57 Cb 0.62 0.12 -0.14 0.00 -0.31 0.00 0.00 39.34 39.63 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 -0.27 1.23 0.00 -0.72 -1.09 -1.26 -1.01 121.20 118.08 2oq3 s ILE 58 Ca 0.34 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2oq3 s ILE 58 Cb 0.08 -1.08 0.00 0.00 -1.58 0.00 0.00 42.46 39.88 2oq3 s ILE 58 CO -0.17 0.15 0.00 0.18 -1.23 0.00 0.00 174.94 173.87 2oq3 n LEU 59 N 2.17 0.18 -3.58 2.97 4.32 -0.71 -4.96 117.00 117.40 2oq3 n LEU 59 Ca -0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.74 2oq3 n LEU 59 Cb 0.54 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.33 2oq3 n LEU 59 CO 0.23 0.03 0.56 0.00 -1.22 0.00 0.00 177.39 177.00 2oq3 s ALA 60 N -1.40 -1.62 -0.38 -1.18 0.00 -1.23 -5.03 121.76 110.92 2oq3 s ALA 60 Ca 0.00 0.46 -0.39 0.00 0.00 0.00 0.00 51.96 52.03 2oq3 s ALA 60 Cb 0.00 0.69 -0.14 0.00 0.00 0.00 0.00 23.12 23.66 2oq3 s ALA 60 CO 0.00 -0.84 2.09 -2.30 0.00 0.00 0.00 175.76 174.71 2oq3 n PRO 61 N -0.37 0.78 -0.59 0.00 -0.02 -1.26 -1.05 135.00 132.49 2oq3 n PRO 61 Ca -0.10 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2oq3 n PRO 61 Cb 0.62 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 6.34 0.75 3.07 -1.23 0.00 -1.26 -5.00 105.19 107.86 2oq3 n GLY 62 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.63 1.47 0.34 1.61 1.01 -0.22 -1.37 120.40 120.62 2oq3 s VAL 63 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2oq3 s VAL 63 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 2oq3 s VAL 63 CO 0.00 0.43 0.06 0.00 0.00 0.00 0.00 175.10 175.60 2oq3 s ALA 64 N 0.85 2.49 -0.41 5.51 0.00 -0.04 -1.73 121.76 128.43 2oq3 s ALA 64 Ca -0.10 -1.95 0.08 0.00 0.00 0.00 0.00 51.96 50.00 2oq3 s ALA 64 Cb -0.15 0.64 0.28 0.00 0.00 0.00 0.00 23.12 23.89 2oq3 s ALA 64 CO 0.01 -0.30 0.73 -0.12 0.00 0.00 0.00 175.76 176.08 2oq3 n MET 65 N -0.73 0.83 -1.61 0.00 0.00 -0.18 -2.35 117.12 113.07 2oq3 n MET 65 Ca -0.03 -2.79 -0.46 0.00 0.00 0.00 0.00 57.70 54.42 2oq3 n MET 65 Cb 0.66 -1.37 -0.03 0.00 0.00 0.00 0.00 33.22 32.49 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 1.04 1.46 -3.63 2.12 -0.02 -1.08 -4.81 135.00 130.08 2oq3 n PRO 66 Ca 0.18 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 62.14 2oq3 n PRO 66 Cb 0.61 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2oq3 n PRO 66 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2oq3 s HIS 67 N -0.56 -0.07 0.13 6.00 5.04 -1.26 -2.61 115.29 121.95 2oq3 s HIS 67 Ca 0.65 0.08 0.01 0.00 -1.54 0.00 0.00 55.06 54.26 2oq3 s HIS 67 Cb -0.74 0.50 -0.04 0.00 0.04 0.00 0.00 32.58 32.34 2oq3 s HIS 67 CO 0.55 -0.09 0.00 0.00 -2.34 0.00 0.00 174.74 172.87 2oq3 s ALA 68 N -1.71 1.05 0.29 1.58 0.00 -1.26 -4.81 121.76 116.90 2oq3 s ALA 68 Ca 0.09 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 2oq3 s ALA 68 Cb -0.01 0.54 -0.14 0.00 0.00 0.00 0.00 23.12 23.52 2oq3 s ALA 68 CO -0.05 -0.36 1.15 0.54 0.00 0.00 0.00 175.76 177.04 2oq3 n ARG 69 N -0.12 1.65 -0.28 0.00 5.12 -1.26 -4.85 116.66 116.91 2oq3 n ARG 69 Ca -0.08 0.58 0.06 0.00 -1.93 0.00 0.00 57.85 56.48 2oq3 n ARG 69 Cb 0.63 -2.05 0.17 0.00 -1.16 0.00 0.00 32.46 30.05 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2oq3 h PRO 70 N 2.48 0.07 0.00 5.56 0.11 -1.93 -0.36 132.00 137.92 2oq3 h PRO 70 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2oq3 h PRO 70 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2oq3 h PRO 70 CO 0.63 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.62 2oq3 n GLU 71 N -5.41 0.26 0.00 1.05 0.00 -1.26 -0.59 120.64 114.70 2oq3 n GLU 71 Ca 0.15 0.12 0.14 0.00 0.00 0.00 0.00 57.16 57.57 2oq3 n GLU 71 Cb 0.52 -1.50 0.76 0.00 0.00 0.00 0.00 31.44 31.22 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2oq3 n GLY 73 N 1.09 -0.24 3.77 0.00 0.00 -0.80 -2.86 105.19 106.14 2oq3 n GLY 73 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.34 2.82 0.00 4.61 0.00 0.25 -1.32 121.76 127.78 2oq3 s ALA 74 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2oq3 s ALA 74 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2oq3 s ALA 74 CO 0.00 -0.86 0.00 1.28 0.00 0.00 0.00 175.76 176.18 2oq3 n LEU 75 N -0.91 0.25 -3.89 0.00 4.77 0.27 -4.83 117.00 112.65 2oq3 n LEU 75 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2oq3 n LEU 75 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2oq3 n LEU 75 CO 0.47 0.04 -0.17 -0.54 -1.33 0.00 0.00 177.39 175.86 2oq3 s LYS 76 N -1.44 0.62 -0.07 3.23 1.02 -0.33 -4.76 119.74 118.01 2oq3 s LYS 76 Ca 0.00 -0.69 -0.23 0.00 0.02 0.00 0.00 55.97 55.07 2oq3 s LYS 76 Cb 0.00 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 2oq3 s LYS 76 CO 0.00 -0.17 0.70 0.99 -0.92 0.00 0.00 175.35 175.95 2oq3 s THR 77 N -2.54 5.04 0.10 2.17 2.01 -1.26 -3.82 115.64 117.34 2oq3 s THR 77 Ca -0.05 1.44 -0.13 0.00 0.31 0.00 0.00 61.69 63.26 2oq3 s THR 77 Cb -0.01 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.50 2oq3 s THR 77 CO -0.04 0.24 0.61 0.61 -0.69 0.00 0.00 174.62 175.36 2oq3 n GLY 78 N 3.13 0.85 3.37 4.40 0.00 -0.30 -4.93 105.19 111.72 2oq3 n GLY 78 Ca -0.01 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.03 1.36 0.31 1.61 -1.94 0.16 -0.91 119.30 117.86 2oq3 s MET 79 Ca 0.14 -1.47 -0.16 0.00 -1.71 0.00 0.00 55.69 52.48 2oq3 s MET 79 Cb -0.02 0.36 0.02 0.00 2.01 0.00 0.00 34.83 37.21 2oq3 s MET 79 CO 0.03 -0.50 0.67 -1.12 -0.01 0.00 0.00 175.02 174.09 2oq3 s SER 80 N -3.10 -0.04 -0.17 3.03 0.01 -0.42 -4.08 113.70 108.92 2oq3 s SER 80 Ca 0.32 -0.91 -0.05 0.00 1.31 0.00 0.00 55.95 56.62 2oq3 s SER 80 Cb 0.04 0.73 0.09 0.00 0.21 0.00 0.00 66.02 67.08 2oq3 s SER 80 CO 0.11 -1.40 0.30 -0.22 0.41 0.00 0.00 173.24 172.44 2oq3 s LEU 81 N -3.01 -0.38 0.03 2.44 2.96 0.28 -0.74 118.68 120.25 2oq3 s LEU 81 Ca 0.16 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.60 2oq3 s LEU 81 Cb -0.04 0.82 -0.03 0.00 0.50 0.00 0.00 46.19 47.44 2oq3 s LEU 81 CO 0.10 -0.26 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.75 2oq3 s THR 82 N 2.46 2.40 0.01 3.68 2.01 0.28 -1.82 115.64 124.66 2oq3 s THR 82 Ca 0.04 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 60.82 2oq3 s THR 82 Cb -0.13 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2oq3 s THR 82 CO -0.11 0.40 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.93 2oq3 s LEU 83 N -1.18 2.10 -0.07 4.42 2.96 -0.59 -1.39 118.68 124.93 2oq3 s LEU 83 Ca 0.12 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 2oq3 s LEU 83 Cb -0.10 -0.31 -0.00 0.00 0.50 0.00 0.00 46.19 46.28 2oq3 s LEU 83 CO 0.02 -0.01 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.06 2oq3 s LEU 84 N -0.66 2.02 0.04 -0.68 1.02 0.44 -0.33 118.68 120.52 2oq3 s LEU 84 Ca -0.01 -0.48 -0.22 0.00 0.02 0.00 0.00 54.13 53.43 2oq3 s LEU 84 Cb -0.05 -1.27 -0.14 0.00 0.02 0.00 0.00 46.19 44.74 2oq3 s LEU 84 CO 0.00 0.18 1.43 -0.33 0.02 0.00 0.00 176.35 177.66 2oq3 h GLU 85 N 6.39 0.21 0.00 1.70 5.08 -0.15 -3.22 114.58 124.59 2oq3 h GLU 85 Ca -0.28 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2oq3 h GLU 85 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2oq3 h GLU 85 CO 0.47 0.50 -0.65 1.96 -1.00 0.00 0.00 179.01 180.30 2oq3 h GLN 86 N -0.10 0.00 0.00 2.33 4.20 -1.23 -3.50 115.11 116.80 2oq3 h GLN 86 Ca 0.03 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.94 2oq3 h GLN 86 Cb 0.42 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 2oq3 h GLN 86 CO 0.01 0.00 -0.26 0.41 -0.67 0.00 0.00 178.83 178.32 2oq3 n GLY 87 N 1.30 -1.93 3.33 3.46 0.00 -1.22 -4.96 105.19 105.17 2oq3 n GLY 87 Ca 0.03 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.44 0.04 -0.45 1.61 0.11 -0.51 -4.54 120.40 115.22 2oq3 s VAL 88 Ca 0.00 -1.64 0.04 0.00 -2.93 0.00 0.00 61.98 57.45 2oq3 s VAL 88 Cb 0.00 -2.13 0.12 0.00 -1.53 0.00 0.00 36.38 32.84 2oq3 s VAL 88 CO 0.00 -0.18 0.19 -0.47 -3.33 0.00 0.00 175.10 171.31 2oq3 s TYR 89 N -4.04 3.17 0.25 1.54 5.04 -1.26 -0.80 117.35 121.24 2oq3 s TYR 89 Ca 0.25 -2.99 -0.29 0.00 -2.44 0.00 0.00 57.07 51.60 2oq3 s TYR 89 Cb 0.04 -2.71 -0.15 0.00 0.35 0.00 0.00 41.96 39.49 2oq3 s TYR 89 CO 0.05 -0.81 1.01 1.19 -1.34 0.00 0.00 175.55 175.65 2oq3 n PHE 90 N 3.56 1.15 -1.88 4.97 3.72 -1.26 -4.86 117.46 122.85 2oq3 n PHE 90 Ca 0.05 0.72 -0.42 0.00 -0.05 0.00 0.00 57.45 57.75 2oq3 n PHE 90 Cb 0.36 -2.24 -0.02 0.00 -0.94 0.00 0.00 39.48 36.64 2oq3 n PHE 90 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2oq3 s PRO 91 N -1.22 4.19 0.00 -1.08 0.04 -1.26 -2.80 135.00 132.86 2oq3 s PRO 91 Ca 0.62 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.11 2oq3 s PRO 91 Cb -0.75 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2oq3 s PRO 91 CO 0.58 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.46 2oq3 n GLY 92 N 2.74 0.38 3.76 0.56 0.00 -1.26 -4.32 105.19 107.05 2oq3 n GLY 92 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.23 3.39 0.22 1.61 2.47 -1.12 -4.95 114.94 114.34 2oq3 s ASN 93 Ca 0.00 1.10 -0.04 0.00 0.42 0.00 0.00 52.86 54.34 2oq3 s ASN 93 Cb 0.00 -1.72 0.20 0.00 -1.45 0.00 0.00 41.25 38.28 2oq3 s ASN 93 CO 0.00 -2.64 1.64 -0.78 -3.72 0.00 0.00 177.10 171.60 2oq3 h ASP 94 N -1.56 0.78 -5.12 -4.21 3.58 -1.95 -3.48 116.42 104.47 2oq3 h ASP 94 Ca -0.51 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 56.65 2oq3 h ASP 94 Cb 1.32 -0.21 -0.09 0.00 1.72 0.00 0.00 39.33 42.07 2oq3 h ASP 94 CO 0.60 0.97 0.02 -1.83 -2.88 0.00 0.00 179.24 176.12 2oq3 s GLU 95 N -4.63 1.51 0.69 0.28 -1.05 -1.26 -5.18 118.70 109.06 2oq3 s GLU 95 Ca -0.09 -1.01 -0.11 0.00 -0.15 0.00 0.00 54.97 53.61 2oq3 s GLU 95 Cb 0.13 0.52 0.01 0.00 -0.44 0.00 0.00 34.13 34.35 2oq3 s GLU 95 CO 0.83 -0.65 1.06 -1.25 0.95 0.00 0.00 175.26 176.20 2oq3 s PRO 96 N -3.93 2.94 -0.07 -4.83 0.04 -1.26 -4.72 135.00 123.17 2oq3 s PRO 96 Ca 0.14 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2oq3 s PRO 96 Cb -0.02 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2oq3 s PRO 96 CO 0.03 -1.10 -0.13 0.42 0.04 0.00 0.00 177.00 176.26 2oq3 s ILE 97 N -3.02 3.17 -0.03 0.56 -1.09 0.02 -4.05 121.20 116.76 2oq3 s ILE 97 Ca 0.58 -0.67 0.09 0.00 -2.23 0.00 0.00 60.65 58.42 2oq3 s ILE 97 Cb -0.14 -2.27 -0.13 0.00 -1.58 0.00 0.00 42.46 38.34 2oq3 s ILE 97 CO 0.54 0.58 0.20 0.29 -1.23 0.00 0.00 174.94 175.32 2oq3 n LYS 98 N 2.50 0.41 -4.25 2.79 5.02 -0.47 -1.43 118.16 122.73 2oq3 n LYS 98 Ca -0.17 -0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 55.84 2oq3 n LYS 98 Cb 0.52 -1.20 -0.16 0.00 -0.02 0.00 0.00 35.03 34.18 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 -3.56 1.50 -0.01 -0.35 2.96 -0.55 -0.42 118.68 118.24 2oq3 s LEU 99 Ca -0.03 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2oq3 s LEU 99 Cb 0.06 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.28 2oq3 s LEU 99 CO 0.36 -0.01 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.61 2oq3 s LEU 100 N 0.67 1.59 -0.15 -0.68 1.02 -0.49 -0.86 118.68 119.78 2oq3 s LEU 100 Ca -0.10 -0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 2oq3 s LEU 100 Cb -0.13 -0.14 -0.01 0.00 0.02 0.00 0.00 46.19 45.93 2oq3 s LEU 100 CO 0.01 -0.04 -0.10 -0.63 0.02 0.00 0.00 176.35 175.60 2oq3 s ILE 101 N 0.48 3.21 0.33 -0.59 1.01 -0.99 -0.56 121.20 124.08 2oq3 s ILE 101 Ca -0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.78 2oq3 s ILE 101 Cb -0.07 -2.38 -0.10 0.00 0.01 0.00 0.00 42.46 39.93 2oq3 s ILE 101 CO -0.01 0.50 0.90 -0.83 0.00 0.00 0.00 174.94 175.50 2oq3 s GLY 102 N 0.59 2.66 -0.06 6.18 0.00 0.08 -2.62 107.32 114.14 2oq3 s GLY 102 Ca -0.06 0.41 -0.03 0.00 0.00 0.00 0.00 44.72 45.04 2oq3 s GLY 102 CO 0.03 0.80 0.14 -2.27 0.00 0.00 0.00 173.10 171.80 2oq3 s LEU 103 N -2.33 0.91 0.15 0.66 0.20 -1.07 -1.31 118.68 115.89 2oq3 s LEU 103 Ca 0.52 0.30 0.09 0.00 0.69 0.00 0.00 54.13 55.72 2oq3 s LEU 103 Cb -0.16 0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 45.96 2oq3 s LEU 103 CO 0.21 -0.12 -0.20 -0.94 -0.29 0.00 0.00 176.35 175.00 2oq3 s SER 104 N 0.89 2.73 -0.18 3.68 1.04 -0.08 -4.37 113.70 117.41 2oq3 s SER 104 Ca -0.07 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.43 2oq3 s SER 104 Cb -0.09 -0.16 0.06 0.00 0.10 0.00 0.00 66.02 65.93 2oq3 s SER 104 CO -0.04 0.02 0.46 0.00 0.98 0.00 0.00 173.24 174.65 2oq3 s ALA 105 N -1.72 -1.17 -0.10 5.32 0.00 -1.25 -1.14 121.76 121.71 2oq3 s ALA 105 Ca 0.13 1.56 0.24 0.00 0.00 0.00 0.00 51.96 53.90 2oq3 s ALA 105 Cb -0.07 -0.93 0.70 0.00 0.00 0.00 0.00 23.12 22.81 2oq3 s ALA 105 CO 0.06 -0.26 1.73 0.00 0.00 0.00 0.00 175.76 177.29 2oq3 h ALA 106 N 6.59 0.95 -2.56 0.00 0.00 -1.86 -3.39 119.26 118.98 2oq3 h ALA 106 Ca -0.33 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2oq3 h ALA 106 Cb 1.19 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 2oq3 h ALA 106 CO 0.26 0.20 -0.30 0.34 0.00 0.00 0.00 179.25 179.74 2oq3 s ASP 107 N -6.13 -0.03 0.40 0.00 2.15 -1.26 -4.91 116.67 106.89 2oq3 s ASP 107 Ca 0.03 -0.35 0.07 0.00 0.43 0.00 0.00 52.55 52.73 2oq3 s ASP 107 Cb 0.08 0.34 0.84 0.00 -0.30 0.00 0.00 42.92 43.88 2oq3 s ASP 107 CO 0.64 -0.64 2.04 0.00 -0.17 0.00 0.00 175.17 177.04 2oq3 h ALA 108 N 3.12 1.72 -0.01 3.66 0.00 -1.99 0.31 119.26 126.08 2oq3 h ALA 108 Ca -0.32 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2oq3 h ALA 108 Cb 1.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2oq3 h ALA 108 CO 0.49 0.24 -0.75 0.22 0.00 0.00 0.00 179.25 179.45 2oq3 h ASP 109 N 0.60 0.09 -0.29 0.00 3.58 -1.98 -0.87 116.42 117.54 2oq3 h ASP 109 Ca 0.19 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 2oq3 h ASP 109 Cb 0.02 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2oq3 h ASP 109 CO -0.05 0.80 -0.18 0.28 -2.88 0.00 0.00 179.24 177.22 2oq3 h SER 110 N 0.04 0.75 -0.14 2.28 0.02 -1.73 -0.65 113.55 114.12 2oq3 h SER 110 Ca -0.02 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2oq3 h SER 110 Cb 1.32 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2oq3 h SER 110 CO 0.10 0.92 0.05 -0.74 -1.14 0.00 0.00 176.83 176.03 2oq3 h HIS 111 N 0.66 0.10 -0.31 3.45 -0.00 -0.72 -1.20 115.15 117.14 2oq3 h HIS 111 Ca 0.10 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 2oq3 h HIS 111 Cb 0.66 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 28.00 2oq3 h HIS 111 CO 0.03 0.05 -0.04 0.82 -0.00 0.00 0.00 177.93 178.79 2oq3 h ILE 112 N 0.13 0.72 -0.74 6.26 1.08 -0.86 0.67 117.51 124.77 2oq3 h ILE 112 Ca 0.06 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.54 2oq3 h ILE 112 Cb 0.03 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 2oq3 h ILE 112 CO -0.06 0.01 0.48 1.23 -0.69 0.00 0.00 178.15 179.12 2oq3 h GLY 113 N 0.04 1.06 1.13 5.37 0.00 -0.79 0.52 103.07 110.39 2oq3 h GLY 113 Ca 0.15 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 46.92 2oq3 h GLY 113 CO -0.29 0.33 -0.64 0.00 0.00 0.00 0.00 176.54 175.94 2oq3 h ALA 114 N 1.30 0.36 -0.37 3.60 0.00 -0.74 -2.58 119.26 120.82 2oq3 h ALA 114 Ca 0.29 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2oq3 h ALA 114 Cb -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2oq3 h ALA 114 CO -0.09 0.64 0.18 0.82 0.00 0.00 0.00 179.25 180.80 2oq3 h ILE 115 N 0.55 0.97 0.00 0.00 1.08 -0.66 -0.23 117.51 119.22 2oq3 h ILE 115 Ca -0.02 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2oq3 h ILE 115 Cb 1.26 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 2oq3 h ILE 115 CO 0.14 0.07 0.00 0.00 -0.69 0.00 0.00 178.15 177.66 2oq3 n GLN 116 N -4.94 0.39 -0.11 2.37 1.13 0.15 -0.58 117.38 115.79 2oq3 n GLN 116 Ca 0.01 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.87 2oq3 n GLN 116 Cb 0.09 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.89 2oq3 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oq3 n ALA 117 N -0.99 1.08 0.30 -1.58 0.00 -0.41 -1.16 120.51 117.75 2oq3 n ALA 117 Ca 0.09 -0.96 0.18 0.00 0.00 0.00 0.00 53.44 52.75 2oq3 n ALA 117 Cb 0.04 0.09 0.91 0.00 0.00 0.00 0.00 19.45 20.49 2oq3 n ALA 117 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2oq3 h LEU 118 N -0.98 0.00 -1.96 0.00 8.10 -0.38 -1.68 115.31 118.40 2oq3 h LEU 118 Ca -0.37 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.64 2oq3 h LEU 118 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.53 2oq3 h LEU 118 CO -0.22 0.04 0.07 0.77 -4.11 0.00 0.00 178.44 174.98 2oq3 h SER 119 N 0.00 0.04 0.57 0.17 4.64 -1.09 0.31 113.55 118.19 2oq3 h SER 119 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oq3 h SER 119 Cb 0.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2oq3 h SER 119 CO 0.00 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.38 2oq3 n GLU 120 N -4.52 0.05 -0.01 4.77 -0.58 -0.63 -2.10 120.64 117.62 2oq3 n GLU 120 Ca -0.01 0.29 -0.03 0.00 -0.42 0.00 0.00 57.16 56.99 2oq3 n GLU 120 Cb 0.15 -1.59 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 2oq3 n GLU 120 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2oq3 n LEU 121 N -1.68 0.96 0.20 -4.62 4.77 0.06 -4.63 117.00 112.06 2oq3 n LEU 121 Ca 0.03 0.15 0.15 0.00 -0.03 0.00 0.00 56.01 56.30 2oq3 n LEU 121 Cb 0.19 -0.42 0.58 0.00 -2.33 0.00 0.00 43.42 41.43 2oq3 n LEU 121 CO 0.15 -0.52 0.92 -0.07 -1.33 0.00 0.00 177.39 176.55 2oq3 h LEU 122 N -0.30 0.00 -3.37 2.23 3.38 -0.61 -2.67 115.31 113.97 2oq3 h LEU 122 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2oq3 h LEU 122 Cb 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 2oq3 h LEU 122 CO 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.51 2oq3 s GLU 124 N -3.17 0.75 0.55 0.00 0.41 -1.01 -4.94 118.70 111.29 2oq3 s GLU 124 Ca 0.45 -1.19 0.23 0.00 -0.41 0.00 0.00 54.97 54.05 2oq3 s GLU 124 Cb 0.40 -1.93 1.47 0.00 -1.78 0.00 0.00 34.13 32.29 2oq3 s GLU 124 CO 0.02 -1.03 2.11 1.05 -0.49 0.00 0.00 175.26 176.92 2oq3 h GLU 125 N 7.82 0.00 -0.41 1.61 4.11 -1.88 0.60 114.58 126.44 2oq3 h GLU 125 Ca -0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.24 2oq3 h GLU 125 Cb 1.00 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 -0.09 0.93 0.07 0.00 0.00 179.01 180.38 2oq3 h GLU 126 N 0.00 0.78 -0.31 1.06 5.08 -1.95 -2.81 114.58 116.44 2oq3 h GLU 126 Ca 0.09 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 2oq3 h GLU 126 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2oq3 h GLU 126 CO -0.00 0.90 -0.22 0.82 -1.00 0.00 0.00 179.01 179.51 2oq3 h ILE 127 N 0.60 1.30 -0.65 3.13 5.03 -1.37 -3.13 117.51 122.41 2oq3 h ILE 127 Ca 0.11 -1.36 0.10 0.00 -0.12 0.00 0.00 64.86 63.58 2oq3 h ILE 127 Cb 0.61 1.50 -0.07 0.00 -3.03 0.00 0.00 36.82 35.82 2oq3 h ILE 127 CO 0.04 0.44 0.28 -0.07 -0.68 0.00 0.00 178.15 178.15 2oq3 h LEU 128 N 0.44 0.32 -0.71 1.44 3.38 -0.82 0.32 115.31 119.69 2oq3 h LEU 128 Ca 0.06 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2oq3 h LEU 128 Cb 0.77 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2oq3 h LEU 128 CO 0.06 0.18 -0.43 1.05 0.09 0.00 0.00 178.44 179.39 2oq3 h GLU 129 N 0.48 0.48 -0.12 1.13 4.11 -1.55 0.92 114.58 120.03 2oq3 h GLU 129 Ca 0.33 -0.25 -0.17 0.00 0.07 0.00 0.00 59.36 59.34 2oq3 h GLU 129 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2oq3 h GLU 129 CO -0.29 0.82 -0.64 1.96 0.07 0.00 0.00 179.01 180.93 2oq3 h GLN 130 N 0.39 0.44 0.14 1.06 4.20 -1.08 -0.51 115.11 119.74 2oq3 h GLN 130 Ca 0.03 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2oq3 h GLN 130 Cb 0.92 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2oq3 h GLN 130 CO 0.08 0.94 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.04 2oq3 h LEU 131 N 0.32 -0.16 -2.33 1.46 3.38 -0.90 -2.69 115.31 114.41 2oq3 h LEU 131 Ca -0.01 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2oq3 h LEU 131 Cb 1.19 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2oq3 h LEU 131 CO 0.11 0.21 0.16 -0.07 0.09 0.00 0.00 178.44 178.94 2oq3 h LEU 132 N -0.55 0.00 -2.29 1.67 3.38 -0.57 -0.86 115.31 116.09 2oq3 h LEU 132 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2oq3 h LEU 132 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2oq3 h LEU 132 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 2oq3 n THR 133 N -3.68 0.53 -1.63 0.22 -2.24 -0.22 -4.99 114.28 102.27 2oq3 n THR 133 Ca 0.00 -0.77 -0.46 0.00 -2.27 0.00 0.00 64.05 60.55 2oq3 n THR 133 Cb 0.26 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.04 1.24 0.18 6.98 0.00 -0.33 -4.86 120.51 124.76 2oq3 n ALA 134 Ca 0.14 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.71 2oq3 n ALA 134 Cb 0.48 -2.64 0.34 0.00 0.00 0.00 0.00 19.45 17.64 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 11.23 0.00 -5.24 0.00 0.02 -1.90 -3.47 113.55 114.19 2oq3 h SER 135 Ca -0.44 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 2oq3 h SER 135 Cb 1.27 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.68 2oq3 h SER 135 CO 0.96 0.41 -0.32 -0.44 -1.14 0.00 0.00 176.83 176.30 2oq3 s SER 136 N -6.84 0.04 0.31 3.07 0.01 -1.26 -5.06 113.70 103.98 2oq3 s SER 136 Ca -0.02 -0.82 0.04 0.00 1.31 0.00 0.00 55.95 56.45 2oq3 s SER 136 Cb 0.14 0.42 0.63 0.00 0.21 0.00 0.00 66.02 67.42 2oq3 s SER 136 CO 0.72 -0.87 1.85 -0.08 0.41 0.00 0.00 173.24 175.27 2oq3 h GLU 137 N 2.57 0.88 -1.00 12.44 4.81 -1.93 -2.68 114.58 129.67 2oq3 h GLU 137 Ca -0.32 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 58.95 2oq3 h GLU 137 Cb 1.22 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 2oq3 h GLU 137 CO 0.49 0.58 0.64 -0.22 -0.73 0.00 0.00 179.01 179.78 2oq3 h LYS 138 N 0.91 1.06 -0.55 1.92 3.11 -1.98 -1.91 116.57 119.12 2oq3 h LYS 138 Ca 0.48 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.24 2oq3 h LYS 138 Cb 0.54 -0.24 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 2oq3 h LYS 138 CO -0.24 0.70 0.31 1.96 -2.81 0.00 0.00 179.45 179.37 2oq3 h GLN 139 N 1.09 0.76 -0.04 1.90 4.20 -1.88 0.72 115.11 121.87 2oq3 h GLN 139 Ca 0.46 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 59.08 2oq3 h GLN 139 Cb 0.32 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2oq3 h GLN 139 CO -0.21 0.58 0.02 -0.07 -0.67 0.00 0.00 178.83 178.48 2oq3 h LEU 140 N 0.74 0.05 -2.20 1.46 3.38 -1.47 -0.93 115.31 116.34 2oq3 h LEU 140 Ca 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2oq3 h LEU 140 Cb 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2oq3 h LEU 140 CO -0.03 0.18 -0.00 0.00 0.09 0.00 0.00 178.44 178.68 2oq3 h ALA 141 N 0.87 1.79 0.23 1.53 0.00 -1.28 -2.35 119.26 120.05 2oq3 h ALA 141 Ca 0.01 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 2oq3 h ALA 141 Cb 0.15 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.96 2oq3 h ALA 141 CO -0.00 0.00 -1.52 0.22 0.00 0.00 0.00 179.25 177.95 2oq3 h ASP 142 N 0.00 0.76 0.07 0.00 3.58 -0.27 -3.31 116.42 117.26 2oq3 h ASP 142 Ca -0.00 -0.87 -0.08 0.00 0.42 0.00 0.00 57.03 56.49 2oq3 h ASP 142 Cb 0.00 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 2oq3 h ASP 142 CO 0.00 1.70 -0.27 0.40 -2.88 0.00 0.00 179.24 178.19 2oq3 h ILE 143 N 0.13 1.26 -0.68 2.25 2.04 -0.97 -2.04 117.51 119.49 2oq3 h ILE 143 Ca -0.27 -1.21 0.15 0.00 1.00 0.00 0.00 64.86 64.53 2oq3 h ILE 143 Cb 2.14 1.42 -0.11 0.00 -0.74 0.00 0.00 36.82 39.53 2oq3 h ILE 143 CO 0.25 0.37 0.02 0.40 0.00 0.00 0.00 178.15 179.19 2oq3 h ILE 144 N 0.28 0.44 0.00 -0.67 1.08 -1.51 -2.73 117.51 114.40 2oq3 h ILE 144 Ca 0.04 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2oq3 h ILE 144 Cb 0.63 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 2oq3 h ILE 144 CO 0.05 0.02 0.00 0.28 -0.69 0.00 0.00 178.15 177.81 2oq3 h SER 145 N 0.13 0.00 -0.84 1.72 0.02 -1.45 -2.28 113.55 110.85 2oq3 h SER 145 Ca 0.36 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.47 2oq3 h SER 145 Cb 0.61 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 2oq3 h SER 145 CO -0.57 0.00 0.55 -0.09 -1.14 0.00 0.00 176.83 175.58 2oq3 h ARG 146 N 0.00 0.52 -0.02 3.45 2.43 -1.58 -3.49 114.38 115.68 2oq3 h ARG 146 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2oq3 h ARG 146 Cb 0.29 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2oq3 h ARG 146 CO 0.00 0.34 0.00 0.41 -1.51 0.00 0.00 179.97 179.21