#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 3.55 0.31 0.03 3.00 -1.26 -4.86 118.95 119.72 2oq3 s ARG 2 Ca 0.00 1.60 0.05 0.00 0.00 0.00 0.00 55.73 57.38 2oq3 s ARG 2 Cb 0.00 -4.13 0.70 0.00 0.00 0.00 0.00 34.95 31.51 2oq3 s ARG 2 CO 0.00 -1.59 1.83 -0.07 0.00 0.00 0.00 175.30 175.47 2oq3 h LEU 3 N 12.77 0.80 -1.96 2.53 -0.00 -1.26 -1.33 115.31 126.86 2oq3 h LEU 3 Ca -0.35 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2oq3 h LEU 3 Cb 1.17 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2oq3 h LEU 3 CO 1.01 0.38 0.33 0.77 -0.00 0.00 0.00 178.44 180.92 2oq3 h SER 4 N 0.83 0.00 0.07 -0.43 4.64 -1.79 -1.70 113.55 115.17 2oq3 h SER 4 Ca 0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2oq3 h SER 4 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2oq3 h SER 4 CO -0.28 0.00 -0.01 -0.78 -0.87 0.00 0.00 176.83 174.89 2oq3 h ASP 5 N 0.00 0.00 0.00 4.97 3.58 -1.63 -3.18 116.42 120.16 2oq3 h ASP 5 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 5 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2oq3 h ASP 5 CO 0.00 0.01 -1.24 -1.22 -2.88 0.00 0.00 179.24 173.91 2oq3 n TYR 6 N -3.57 0.00 -3.52 0.28 4.02 -0.64 -4.90 117.16 108.83 2oq3 n TYR 6 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 2oq3 n TYR 6 Cb 0.10 -0.18 -0.10 0.00 -0.02 0.00 0.00 39.34 39.14 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2oq3 s PHE 7 N -2.84 3.25 0.00 -0.72 0.40 -1.20 -0.40 117.98 116.46 2oq3 s PHE 7 Ca 0.00 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 2oq3 s PHE 7 Cb 0.12 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 41.08 2oq3 s PHE 7 CO 0.68 -0.64 0.87 -0.35 0.70 0.00 0.00 175.22 176.49 2oq3 n PRO 8 N 5.08 0.00 0.00 0.24 -0.04 -1.26 -4.97 135.00 134.05 2oq3 n PRO 8 Ca -0.11 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2oq3 n PRO 8 Cb 0.46 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.92 0.00 0.00 0.54 2.13 -1.26 -4.92 120.64 115.21 2oq3 n GLU 9 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 2oq3 n GLU 9 Cb 0.00 0.00 0.17 0.00 0.27 0.00 0.00 31.44 31.88 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 -2.07 0.00 0.00 4.31 7.64 -1.26 -4.05 113.62 118.19 2oq3 n SER 10 Ca 0.00 -0.81 0.08 0.00 1.01 0.00 0.00 58.87 59.16 2oq3 n SER 10 Cb 0.00 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.62 2oq3 n SER 10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2oq3 n SER 11 N -0.68 0.00 -4.16 6.43 3.41 -1.26 -4.72 113.62 112.64 2oq3 n SER 11 Ca 0.04 0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.44 2oq3 n SER 11 Cb 0.02 -0.31 -0.17 0.00 -0.26 0.00 0.00 64.21 63.49 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oq3 s ILE 12 N -2.61 1.77 -0.02 -1.33 1.01 -1.26 -0.06 121.20 118.70 2oq3 s ILE 12 Ca 0.15 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 2oq3 s ILE 12 Cb 0.11 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 41.09 2oq3 s ILE 12 CO 0.26 0.50 0.52 -0.94 0.00 0.00 0.00 174.94 175.28 2oq3 s SER 13 N 0.43 -0.45 -0.00 3.58 1.04 -0.67 -4.97 113.70 112.65 2oq3 s SER 13 Ca -0.17 0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.72 2oq3 s SER 13 Cb -0.17 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 2oq3 s SER 13 CO 0.07 -0.58 -0.25 -0.69 0.98 0.00 0.00 173.24 172.78 2oq3 s VAL 14 N -1.52 1.96 0.02 5.02 1.01 -1.26 -1.67 120.40 123.96 2oq3 s VAL 14 Ca -0.11 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.76 2oq3 s VAL 14 Cb -0.02 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2oq3 s VAL 14 CO 0.06 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 174.95 2oq3 s ILE 15 N -0.64 0.43 0.15 2.22 1.01 0.22 -4.95 121.20 119.63 2oq3 s ILE 15 Ca 0.10 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 2oq3 s ILE 15 Cb -0.10 -0.45 -0.08 0.00 0.01 0.00 0.00 42.46 41.84 2oq3 s ILE 15 CO -0.00 -0.20 1.44 1.12 0.00 0.00 0.00 174.94 177.30 2oq3 h HIS 16 N 5.13 0.94 -1.28 3.97 2.07 -1.95 0.90 115.15 124.93 2oq3 h HIS 16 Ca -0.32 -0.34 0.16 0.00 -2.85 0.00 0.00 60.37 57.02 2oq3 h HIS 16 Cb 1.20 -0.18 -0.26 0.00 2.57 0.00 0.00 27.41 30.74 2oq3 h HIS 16 CO 0.55 1.13 0.76 -1.54 -3.07 0.00 0.00 177.93 175.76 2oq3 s SER 17 N -6.95 -0.19 0.47 3.10 1.04 -1.26 -2.30 113.70 107.61 2oq3 s SER 17 Ca -0.09 0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.38 2oq3 s SER 17 Cb 0.11 0.20 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 2oq3 s SER 17 CO 0.87 -0.15 1.00 0.00 0.98 0.00 0.00 173.24 175.94 2oq3 s ALA 18 N -0.84 2.94 0.24 5.32 0.00 -1.26 -4.95 121.76 123.21 2oq3 s ALA 18 Ca 0.04 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 2oq3 s ALA 18 Cb -0.02 -3.21 0.31 0.00 0.00 0.00 0.00 23.12 20.21 2oq3 s ALA 18 CO -0.05 -0.16 1.86 -0.22 0.00 0.00 0.00 175.76 177.19 2oq3 h LYS 19 N 1.61 1.00 -3.19 0.00 3.11 -1.99 -3.45 116.57 113.65 2oq3 h LYS 19 Ca -0.49 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.32 2oq3 h LYS 19 Cb 1.20 -0.22 -0.06 0.00 -1.00 0.00 0.00 32.23 32.14 2oq3 h LYS 19 CO 0.60 0.66 0.13 -0.51 -2.81 0.00 0.00 179.45 177.51 2oq3 s ASP 20 N -5.82 -0.22 0.42 4.20 1.01 -1.26 -4.98 116.67 110.02 2oq3 s ASP 20 Ca -0.13 -0.68 0.15 0.00 0.71 0.00 0.00 52.55 52.60 2oq3 s ASP 20 Cb 0.18 0.68 1.03 0.00 1.01 0.00 0.00 42.92 45.83 2oq3 s ASP 20 CO 0.79 -1.28 1.90 4.11 0.21 0.00 0.00 175.17 180.91 2oq3 h TRP 21 N 2.08 0.53 -0.15 4.23 0.09 -1.89 0.13 115.95 120.97 2oq3 h TRP 21 Ca -0.21 0.02 -0.00 0.00 0.09 0.00 0.00 58.89 58.78 2oq3 h TRP 21 Cb 1.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.16 30.32 2oq3 h TRP 21 CO 0.41 0.19 0.09 1.96 0.09 0.00 0.00 178.44 181.19 2oq3 h GLN 22 N 0.44 0.20 -0.18 0.12 4.20 -1.96 -2.72 115.11 115.21 2oq3 h GLN 22 Ca 0.40 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 2oq3 h GLN 22 Cb 0.91 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2oq3 h GLN 22 CO -0.14 0.17 -0.07 1.49 -0.67 0.00 0.00 178.83 179.61 2oq3 h GLU 23 N 0.18 0.27 -0.51 1.46 4.57 -1.41 -1.72 114.58 117.42 2oq3 h GLU 23 Ca 0.05 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2oq3 h GLU 23 Cb 0.01 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2oq3 h GLU 23 CO -0.01 0.36 0.15 0.00 -1.18 0.00 0.00 179.01 178.33 2oq3 h ALA 24 N 1.67 1.31 -0.15 2.92 0.00 -0.57 0.22 119.26 124.66 2oq3 h ALA 24 Ca 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2oq3 h ALA 24 Cb 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2oq3 h ALA 24 CO 0.01 0.50 -0.10 0.82 0.00 0.00 0.00 179.25 180.48 2oq3 h ILE 25 N 0.74 1.33 -0.57 0.00 2.04 -1.07 -1.10 117.51 118.88 2oq3 h ILE 25 Ca 0.17 -1.20 0.08 0.00 1.00 0.00 0.00 64.86 64.91 2oq3 h ILE 25 Cb 0.23 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 2oq3 h ILE 25 CO -0.01 0.35 0.23 -0.78 0.00 0.00 0.00 178.15 177.94 2oq3 h ASP 26 N -0.02 0.25 0.09 1.72 3.58 -0.59 0.08 116.42 121.53 2oq3 h ASP 26 Ca 0.03 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 2oq3 h ASP 26 Cb 0.60 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2oq3 h ASP 26 CO 0.03 0.16 -0.20 -0.26 -2.88 0.00 0.00 179.24 176.09 2oq3 h PHE 27 N 0.42 0.22 0.00 0.28 0.04 -0.58 0.29 116.94 117.61 2oq3 h PHE 27 Ca 0.28 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 2oq3 h PHE 27 Cb 0.30 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 2oq3 h PHE 27 CO -0.15 0.40 -0.01 0.77 -0.60 0.00 0.00 178.31 178.72 2oq3 h SER 28 N 0.19 0.00 0.00 2.17 0.02 0.34 -3.36 113.55 112.92 2oq3 h SER 28 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2oq3 h SER 28 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2oq3 h SER 28 CO 0.03 0.01 -0.70 0.23 -1.14 0.00 0.00 176.83 175.25 2oq3 n MET 29 N -3.12 1.77 -0.19 3.45 2.81 -0.64 -4.12 117.12 117.08 2oq3 n MET 29 Ca -0.01 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.89 2oq3 n MET 29 Cb 0.19 -0.85 0.26 0.00 -0.71 0.00 0.00 33.22 32.12 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 1.18 0.00 2.03 3.04 -0.62 0.21 116.25 122.09 2oq3 h VAL 30 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2oq3 h VAL 30 Cb 0.00 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.42 2oq3 h VAL 30 CO 0.00 0.18 0.00 0.28 -1.01 0.00 0.00 177.57 177.02 2oq3 h SER 31 N 0.97 0.00 0.09 3.17 0.02 -1.84 0.11 113.55 116.07 2oq3 h SER 31 Ca 0.26 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.86 2oq3 h SER 31 Cb -0.11 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2oq3 h SER 31 CO -0.06 0.00 -1.96 0.18 -1.14 0.00 0.00 176.83 173.86 2oq3 n LEU 32 N -2.97 2.55 -0.28 5.07 4.77 -0.12 -4.13 117.00 121.89 2oq3 n LEU 32 Ca -0.01 0.21 0.03 0.00 -0.03 0.00 0.00 56.01 56.21 2oq3 n LEU 32 Cb 0.19 -1.08 0.17 0.00 -2.33 0.00 0.00 43.42 40.37 2oq3 n LEU 32 CO 0.23 0.78 1.13 0.25 -1.33 0.00 0.00 177.39 178.44 2oq3 h LEU 33 N -0.10 0.63 -1.49 2.23 5.85 -0.30 0.12 115.31 122.25 2oq3 h LEU 33 Ca -0.44 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 2oq3 h LEU 33 Cb 1.92 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 2oq3 h LEU 33 CO 0.02 0.35 -0.26 -0.78 -0.34 0.00 0.00 178.44 177.43 2oq3 h ASP 34 N 0.75 0.00 -0.59 1.25 3.58 -1.00 -0.82 116.42 119.59 2oq3 h ASP 34 Ca 0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.84 2oq3 h ASP 34 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2oq3 h ASP 34 CO -0.26 0.26 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2oq3 n LYS 35 N -3.99 4.54 -3.95 0.28 4.76 -1.00 -4.95 118.16 113.85 2oq3 n LYS 35 Ca -0.02 -3.04 -0.32 0.00 -2.87 0.00 0.00 58.31 52.07 2oq3 n LYS 35 Cb 0.33 -2.16 -0.02 0.00 -1.84 0.00 0.00 35.03 31.34 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2oq3 n ASN 36 N 0.77 -3.26 0.26 4.39 0.23 -0.31 -4.86 115.26 112.48 2oq3 n ASN 36 Ca 0.27 -0.80 0.14 0.00 -0.53 0.00 0.00 54.58 53.66 2oq3 n ASN 36 Cb 1.10 -2.69 0.66 0.00 -2.08 0.00 0.00 39.78 36.78 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2oq3 h TYR 37 N -1.26 0.00 -4.52 -2.53 0.05 -1.19 -3.41 116.97 104.12 2oq3 h TYR 37 Ca -0.52 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 57.91 2oq3 h TYR 37 Cb 1.34 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.97 2oq3 h TYR 37 CO 0.66 0.11 -0.38 0.96 -1.05 0.00 0.00 178.16 178.46 2oq3 s ILE 38 N -3.84 0.00 0.24 -2.88 -4.36 -1.25 -0.50 121.20 108.60 2oq3 s ILE 38 Ca -0.01 -1.83 0.11 0.00 -0.26 0.00 0.00 60.65 58.66 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 0.57 0.00 -0.14 -0.44 0.24 0.00 0.00 174.94 175.17 2oq3 s SER 39 N -3.28 3.92 0.47 4.36 0.01 -0.02 -4.71 113.70 114.45 2oq3 s SER 39 Ca 0.36 -0.81 0.12 0.00 1.31 0.00 0.00 55.95 56.93 2oq3 s SER 39 Cb 0.02 -0.51 1.07 0.00 0.21 0.00 0.00 66.02 66.81 2oq3 s SER 39 CO 0.22 0.06 2.10 -0.33 0.41 0.00 0.00 173.24 175.70 2oq3 h GLU 40 N 2.53 0.24 -0.45 12.44 5.08 -1.94 -0.51 114.58 131.97 2oq3 h GLU 40 Ca -0.44 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2oq3 h GLU 40 Cb 1.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2oq3 h GLU 40 CO 0.56 0.17 0.30 -0.97 -1.00 0.00 0.00 179.01 178.07 2oq3 h ASN 41 N 0.24 0.35 -0.55 1.42 -1.24 -1.95 -2.77 115.58 111.08 2oq3 h ASN 41 Ca 0.06 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2oq3 h ASN 41 Cb 0.00 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 2oq3 h ASN 41 CO -0.01 0.23 0.36 0.22 -1.29 0.00 0.00 177.43 176.95 2oq3 h TYR 42 N 0.40 0.70 -0.00 0.67 3.20 -0.82 0.12 116.97 121.24 2oq3 h TYR 42 Ca 0.19 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2oq3 h TYR 42 Cb 0.25 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2oq3 h TYR 42 CO -0.00 0.45 -0.07 0.82 -1.64 0.00 0.00 178.16 177.72 2oq3 h ILE 43 N 0.75 0.82 0.00 1.81 5.03 -1.61 -2.88 117.51 121.44 2oq3 h ILE 43 Ca 0.20 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.89 2oq3 h ILE 43 Cb -0.08 0.82 -0.01 0.00 -3.03 0.00 0.00 36.82 34.53 2oq3 h ILE 43 CO -0.04 0.00 -0.27 -0.61 -0.68 0.00 0.00 178.15 176.54 2oq3 h GLN 44 N -0.12 0.00 -0.67 2.37 5.75 -1.27 -2.21 115.11 118.96 2oq3 h GLN 44 Ca 0.03 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2oq3 h GLN 44 Cb 0.15 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 2oq3 h GLN 44 CO -0.07 0.27 0.41 0.00 -2.65 0.00 0.00 178.83 176.80 2oq3 h ALA 45 N 1.73 0.87 -0.04 3.38 0.00 -0.58 0.74 119.26 125.37 2oq3 h ALA 45 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2oq3 h ALA 45 Cb 0.66 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2oq3 h ALA 45 CO 0.04 0.17 -0.02 0.82 0.00 0.00 0.00 179.25 180.26 2oq3 h ILE 46 N 0.81 1.33 -0.78 0.00 2.04 -1.34 -3.11 117.51 116.45 2oq3 h ILE 46 Ca 0.27 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.17 2oq3 h ILE 46 Cb 0.03 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 2oq3 h ILE 46 CO -0.11 0.27 0.48 0.11 0.00 0.00 0.00 178.15 178.91 2oq3 h LYS 47 N -0.31 0.89 0.13 2.37 1.57 -1.11 -1.16 116.57 118.95 2oq3 h LYS 47 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2oq3 h LYS 47 Cb 0.45 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2oq3 h LYS 47 CO 0.01 0.59 -0.06 0.22 -0.57 0.00 0.00 179.45 179.63 2oq3 h ASP 48 N 0.92 -0.15 -0.68 0.86 3.58 -0.85 -0.17 116.42 119.92 2oq3 h ASP 48 Ca 0.33 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.65 2oq3 h ASP 48 Cb 0.09 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2oq3 h ASP 48 CO -0.14 -0.04 0.13 0.28 -2.88 0.00 0.00 179.24 176.58 2oq3 h SER 49 N -0.24 1.07 -0.90 2.28 0.02 -1.47 -0.20 113.55 114.12 2oq3 h SER 49 Ca -0.02 -0.25 0.09 0.00 -0.84 0.00 0.00 61.79 60.77 2oq3 h SER 49 Cb 0.19 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 2oq3 h SER 49 CO 0.03 1.05 0.55 0.74 -1.14 0.00 0.00 176.83 178.06 2oq3 h THR 50 N 1.05 0.96 0.00 -2.27 2.02 -0.79 0.36 112.91 114.25 2oq3 h THR 50 Ca 0.21 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2oq3 h THR 50 Cb 0.42 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2oq3 h THR 50 CO 0.01 0.17 -0.11 0.40 0.37 0.00 0.00 175.52 176.36 2oq3 h ILE 51 N 0.93 1.61 -0.05 3.11 2.04 -0.73 -2.75 117.51 121.67 2oq3 h ILE 51 Ca 0.42 -1.94 -0.15 0.00 1.00 0.00 0.00 64.86 64.20 2oq3 h ILE 51 Cb 0.33 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2oq3 h ILE 51 CO -0.23 0.51 -0.63 0.78 0.00 0.00 0.00 178.15 178.58 2oq3 h ASN 52 N -0.69 0.22 0.00 1.72 2.35 -0.79 -3.40 115.58 114.99 2oq3 h ASN 52 Ca -0.01 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2oq3 h ASN 52 Cb 0.90 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2oq3 h ASN 52 CO 0.02 0.80 -0.63 -3.20 -1.65 0.00 0.00 177.43 172.77 2oq3 n ASN 53 N -3.84 0.90 0.00 5.81 2.85 0.03 -5.07 115.26 115.94 2oq3 n ASN 53 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2oq3 n ASN 53 Cb 0.64 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.66 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 2.56 3.98 3.74 8.20 0.00 -0.66 -4.99 105.19 118.03 2oq3 n GLY 54 Ca 0.00 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.66 2.87 -0.01 1.61 0.04 -1.25 -3.62 135.00 131.98 2oq3 s PRO 55 Ca 0.00 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2oq3 s PRO 55 Cb 0.00 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2oq3 s PRO 55 CO 0.00 -1.33 0.74 2.48 0.04 0.00 0.00 177.00 178.93 2oq3 n TYR 56 N -1.56 0.00 -3.60 0.56 4.11 -1.26 -4.84 117.16 110.57 2oq3 n TYR 56 Ca 0.14 -0.23 -0.29 0.00 -0.00 0.00 0.00 57.90 57.52 2oq3 n TYR 56 Cb 0.48 -0.03 -0.12 0.00 -0.00 0.00 0.00 39.34 39.67 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2oq3 s TYR 57 N -0.49 1.59 -0.02 -3.48 2.02 -1.26 -5.08 117.35 110.63 2oq3 s TYR 57 Ca 0.01 -2.24 0.01 0.00 -0.37 0.00 0.00 57.07 54.48 2oq3 s TYR 57 Cb 0.01 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2oq3 s TYR 57 CO 0.00 -0.79 -0.04 0.42 -1.57 0.00 0.00 175.55 173.58 2oq3 s ILE 58 N 0.38 0.37 0.00 2.71 -1.09 -1.26 -1.06 121.20 121.25 2oq3 s ILE 58 Ca 0.21 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 2oq3 s ILE 58 Cb -0.18 -0.36 0.00 0.00 -1.58 0.00 0.00 42.46 40.34 2oq3 s ILE 58 CO -0.04 0.14 0.00 0.18 -1.23 0.00 0.00 174.94 173.99 2oq3 n LEU 59 N 3.40 0.17 -3.45 2.97 7.99 -0.63 -4.96 117.00 122.49 2oq3 n LEU 59 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.69 2oq3 n LEU 59 Cb 0.55 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.83 2oq3 n LEU 59 CO 0.25 0.03 0.39 0.00 -1.51 0.00 0.00 177.39 176.54 2oq3 s ALA 60 N -1.86 -1.59 -0.18 -1.18 0.00 -1.20 -4.99 121.76 110.77 2oq3 s ALA 60 Ca 0.00 0.62 -0.37 0.00 0.00 0.00 0.00 51.96 52.21 2oq3 s ALA 60 Cb 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 23.12 23.68 2oq3 s ALA 60 CO 0.00 -0.68 1.83 -2.30 0.00 0.00 0.00 175.76 174.61 2oq3 n PRO 61 N -0.10 1.73 0.00 0.00 -0.02 -1.26 -0.98 135.00 134.37 2oq3 n PRO 61 Ca -0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2oq3 n PRO 61 Cb 0.63 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 4.33 1.98 2.91 -1.23 0.00 -1.22 -5.02 105.19 106.94 2oq3 n GLY 62 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.49 1.08 0.37 1.61 1.01 -0.15 -1.14 120.40 120.68 2oq3 s VAL 63 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2oq3 s VAL 63 Cb 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2oq3 s VAL 63 CO 0.00 0.35 0.04 0.00 0.00 0.00 0.00 175.10 175.49 2oq3 s ALA 64 N 1.69 3.27 -0.40 5.51 0.00 -0.01 -1.60 121.76 130.21 2oq3 s ALA 64 Ca 0.05 -2.06 0.11 0.00 0.00 0.00 0.00 51.96 50.05 2oq3 s ALA 64 Cb -0.13 -0.26 0.34 0.00 0.00 0.00 0.00 23.12 23.07 2oq3 s ALA 64 CO -0.08 -0.02 0.74 -0.12 0.00 0.00 0.00 175.76 176.29 2oq3 n MET 65 N -1.01 1.25 -1.59 0.00 0.00 -0.22 -2.24 117.12 113.30 2oq3 n MET 65 Ca -0.04 -3.56 -0.46 0.00 0.00 0.00 0.00 57.70 53.63 2oq3 n MET 65 Cb 0.64 -1.75 -0.03 0.00 0.00 0.00 0.00 33.22 32.08 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 0.29 1.33 -3.63 2.12 -0.02 -0.95 -4.67 135.00 129.46 2oq3 n PRO 66 Ca 0.26 0.47 -0.03 0.00 -2.02 0.00 0.00 63.50 62.17 2oq3 n PRO 66 Cb 0.62 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.59 -0.07 0.13 6.00 5.04 -1.26 -1.84 115.29 122.70 2oq3 s HIS 67 Ca 0.66 0.10 0.03 0.00 -1.54 0.00 0.00 55.06 54.31 2oq3 s HIS 67 Cb -0.76 0.49 -0.04 0.00 0.04 0.00 0.00 32.58 32.31 2oq3 s HIS 67 CO 0.56 -0.08 -0.06 0.00 -2.34 0.00 0.00 174.74 172.82 2oq3 s ALA 68 N -1.39 1.21 0.41 1.58 0.00 -1.26 -4.84 121.76 117.46 2oq3 s ALA 68 Ca 0.09 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 2oq3 s ALA 68 Cb -0.01 0.22 -0.11 0.00 0.00 0.00 0.00 23.12 23.22 2oq3 s ALA 68 CO -0.06 -0.22 1.08 0.54 0.00 0.00 0.00 175.76 177.11 2oq3 n ARG 69 N -0.14 1.51 -0.33 0.00 1.74 -1.26 -4.84 116.66 113.35 2oq3 n ARG 69 Ca -0.10 0.54 0.18 0.00 -0.77 0.00 0.00 57.85 57.69 2oq3 n ARG 69 Cb 0.61 -2.12 0.38 0.00 -1.02 0.00 0.00 32.46 30.31 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2oq3 h PRO 70 N 1.72 0.40 0.00 5.56 0.11 -1.93 0.12 132.00 137.98 2oq3 h PRO 70 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2oq3 h PRO 70 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2oq3 h PRO 70 CO 0.58 0.26 0.05 -0.85 -0.21 0.00 0.00 178.00 177.83 2oq3 n GLU 71 N -5.02 0.13 0.00 1.05 0.28 -1.26 -0.92 120.64 114.90 2oq3 n GLU 71 Ca 0.26 0.62 0.13 0.00 -0.16 0.00 0.00 57.16 58.02 2oq3 n GLU 71 Cb 0.79 -1.97 0.71 0.00 1.43 0.00 0.00 31.44 32.40 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2oq3 n GLY 73 N 0.97 0.41 3.76 0.00 0.00 -0.70 -2.59 105.19 107.05 2oq3 n GLY 73 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.85 3.04 0.00 4.61 0.00 -0.09 -0.84 121.76 127.62 2oq3 s ALA 74 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2oq3 s ALA 74 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2oq3 s ALA 74 CO 0.00 -0.88 0.00 1.28 0.00 0.00 0.00 175.76 176.16 2oq3 n LEU 75 N -0.39 0.83 -4.07 0.00 4.77 0.34 -4.82 117.00 113.68 2oq3 n LEU 75 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2oq3 n LEU 75 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2oq3 n LEU 75 CO 0.52 0.14 -0.22 -0.54 -1.33 0.00 0.00 177.39 175.95 2oq3 s LYS 76 N -1.58 0.92 -0.17 3.23 1.02 -0.50 -4.74 119.74 117.93 2oq3 s LYS 76 Ca 0.00 -1.29 -0.12 0.00 0.02 0.00 0.00 55.97 54.58 2oq3 s LYS 76 Cb 0.00 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.54 2oq3 s LYS 76 CO 0.00 -0.27 0.24 0.99 -0.92 0.00 0.00 175.35 175.38 2oq3 s THR 77 N -3.99 5.34 0.05 2.17 2.01 -1.26 -3.94 115.64 116.03 2oq3 s THR 77 Ca 0.18 0.43 -0.26 0.00 0.31 0.00 0.00 61.69 62.34 2oq3 s THR 77 Cb 0.06 -3.57 0.09 0.00 0.01 0.00 0.00 72.50 69.09 2oq3 s THR 77 CO -0.02 0.42 1.20 -0.83 -0.69 0.00 0.00 174.62 174.70 2oq3 s GLY 78 N 0.32 -0.04 0.19 4.40 0.00 0.11 -4.96 107.32 107.35 2oq3 s GLY 78 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.69 2oq3 s GLY 78 CO 0.02 4.57 0.24 1.06 0.00 0.00 0.00 173.10 178.99 2oq3 s MET 79 N -2.06 1.22 0.16 2.90 -1.94 0.46 -0.91 119.30 119.13 2oq3 s MET 79 Ca 0.27 -1.38 -0.00 0.00 -1.71 0.00 0.00 55.69 52.87 2oq3 s MET 79 Cb -0.01 0.34 -0.04 0.00 2.01 0.00 0.00 34.83 37.13 2oq3 s MET 79 CO 0.01 -0.44 0.06 -1.12 -0.01 0.00 0.00 175.02 173.53 2oq3 s SER 80 N -3.05 0.57 -0.41 3.03 0.01 -0.22 -4.45 113.70 109.19 2oq3 s SER 80 Ca 0.26 -1.24 0.04 0.00 1.31 0.00 0.00 55.95 56.32 2oq3 s SER 80 Cb 0.04 0.25 0.17 0.00 0.21 0.00 0.00 66.02 66.69 2oq3 s SER 80 CO 0.06 -0.71 0.43 -0.22 0.41 0.00 0.00 173.24 173.21 2oq3 s LEU 81 N -3.12 0.11 -0.14 2.44 2.96 0.91 -0.59 118.68 121.27 2oq3 s LEU 81 Ca 0.27 -2.05 -0.05 0.00 -0.22 0.00 0.00 54.13 52.08 2oq3 s LEU 81 Cb 0.07 0.51 -0.04 0.00 0.50 0.00 0.00 46.19 47.24 2oq3 s LEU 81 CO 0.05 -0.20 0.05 -0.89 -1.32 0.00 0.00 176.35 174.04 2oq3 s THR 82 N 0.93 4.67 0.01 3.68 2.01 -0.44 -1.67 115.64 124.84 2oq3 s THR 82 Ca 0.24 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.19 2oq3 s THR 82 Cb -0.07 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 2oq3 s THR 82 CO -0.08 0.54 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.03 2oq3 s LEU 83 N -0.30 2.09 -0.07 4.42 2.96 -0.67 -0.72 118.68 126.39 2oq3 s LEU 83 Ca 0.08 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2oq3 s LEU 83 Cb -0.12 -0.67 -0.00 0.00 0.50 0.00 0.00 46.19 45.90 2oq3 s LEU 83 CO 0.02 0.11 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.18 2oq3 s LEU 84 N -0.70 1.99 0.05 -0.68 1.02 0.65 -0.61 118.68 120.40 2oq3 s LEU 84 Ca 0.04 -0.47 -0.22 0.00 0.02 0.00 0.00 54.13 53.50 2oq3 s LEU 84 Cb -0.06 -1.23 -0.14 0.00 0.02 0.00 0.00 46.19 44.78 2oq3 s LEU 84 CO 0.00 0.17 1.49 -0.33 0.02 0.00 0.00 176.35 177.70 2oq3 h GLU 85 N 6.45 0.20 0.00 1.70 5.08 -0.89 -3.21 114.58 123.91 2oq3 h GLU 85 Ca -0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2oq3 h GLU 85 Cb 1.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2oq3 h GLU 85 CO 0.47 0.44 -0.72 1.04 -1.00 0.00 0.00 179.01 179.24 2oq3 n GLN 86 N -4.80 0.23 -0.74 2.33 6.02 -0.97 -5.05 117.38 114.38 2oq3 n GLN 86 Ca -0.06 0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2oq3 n GLN 86 Cb 0.20 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 2oq3 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oq3 n GLY 87 N 1.38 -1.69 3.43 1.08 0.00 -1.21 -4.97 105.19 103.20 2oq3 n GLY 87 Ca 0.03 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.27 0.03 -0.40 1.61 0.11 -0.51 -4.47 120.40 115.50 2oq3 s VAL 88 Ca 0.00 -1.46 0.04 0.00 -2.93 0.00 0.00 61.98 57.63 2oq3 s VAL 88 Cb 0.00 -2.07 0.11 0.00 -1.53 0.00 0.00 36.38 32.89 2oq3 s VAL 88 CO 0.00 -0.13 0.12 -0.47 -3.33 0.00 0.00 175.10 171.30 2oq3 s TYR 89 N -4.01 3.52 0.25 1.54 6.14 -1.26 -0.68 117.35 122.84 2oq3 s TYR 89 Ca 0.22 -3.04 -0.31 0.00 0.64 0.00 0.00 57.07 54.59 2oq3 s TYR 89 Cb 0.02 -2.86 -0.14 0.00 0.42 0.00 0.00 41.96 39.40 2oq3 s TYR 89 CO 0.05 -0.88 1.30 1.19 0.64 0.00 0.00 175.55 177.85 2oq3 n PHE 90 N 3.87 1.91 -1.82 4.97 3.72 -1.26 -4.86 117.46 123.99 2oq3 n PHE 90 Ca 0.04 0.53 -0.42 0.00 -0.05 0.00 0.00 57.45 57.55 2oq3 n PHE 90 Cb 0.39 -2.40 -0.03 0.00 -0.94 0.00 0.00 39.48 36.50 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 -0.73 4.17 0.00 -1.08 0.04 -1.26 -2.44 135.00 133.69 2oq3 s PRO 91 Ca 0.66 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.20 2oq3 s PRO 91 Cb -0.68 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2oq3 s PRO 91 CO 0.53 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2oq3 n GLY 92 N 3.89 0.28 3.74 0.56 0.00 -1.26 -4.53 105.19 107.86 2oq3 n GLY 92 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.02 3.23 0.23 1.61 2.47 -1.02 -4.97 114.94 114.48 2oq3 s ASN 93 Ca 0.00 1.13 -0.04 0.00 0.42 0.00 0.00 52.86 54.37 2oq3 s ASN 93 Cb 0.00 -1.77 0.25 0.00 -1.45 0.00 0.00 41.25 38.27 2oq3 s ASN 93 CO 0.00 -2.74 1.73 -0.78 -3.72 0.00 0.00 177.10 171.59 2oq3 h ASP 94 N -1.63 0.88 -5.02 -4.21 3.58 -1.95 -3.47 116.42 104.60 2oq3 h ASP 94 Ca -0.52 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.72 2oq3 h ASP 94 Cb 1.32 -0.23 -0.10 0.00 1.72 0.00 0.00 39.33 42.04 2oq3 h ASP 94 CO 0.59 0.92 0.17 -0.70 -2.88 0.00 0.00 179.24 177.34 2oq3 s GLU 95 N -5.05 1.42 0.87 0.28 2.12 -1.26 -5.13 118.70 111.95 2oq3 s GLU 95 Ca -0.10 -0.68 -0.11 0.00 0.36 0.00 0.00 54.97 54.44 2oq3 s GLU 95 Cb 0.14 0.58 0.12 0.00 0.26 0.00 0.00 34.13 35.24 2oq3 s GLU 95 CO 0.83 -0.62 1.17 -1.25 -0.54 0.00 0.00 175.26 174.84 2oq3 s PRO 96 N -3.82 1.25 -0.09 4.30 0.04 -1.26 -4.71 135.00 130.71 2oq3 s PRO 96 Ca 0.05 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.73 2oq3 s PRO 96 Cb -0.02 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2oq3 s PRO 96 CO -0.06 -2.48 -0.08 0.42 0.04 0.00 0.00 177.00 174.84 2oq3 s ILE 97 N -2.45 3.59 -0.32 0.56 -1.09 0.14 -3.43 121.20 118.19 2oq3 s ILE 97 Ca 0.69 -0.50 0.12 0.00 -2.23 0.00 0.00 60.65 58.73 2oq3 s ILE 97 Cb -0.25 -2.49 -0.16 0.00 -1.58 0.00 0.00 42.46 37.98 2oq3 s ILE 97 CO 0.55 0.56 0.40 0.29 -1.23 0.00 0.00 174.94 175.52 2oq3 n LYS 98 N 2.70 1.87 -3.88 2.79 5.02 -0.29 -1.42 118.16 124.95 2oq3 n LYS 98 Ca -0.18 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 55.93 2oq3 n LYS 98 Cb 0.53 -1.16 -0.15 0.00 -0.02 0.00 0.00 35.03 34.22 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 -3.13 1.67 -0.32 -0.35 2.96 -0.71 -0.25 118.68 118.53 2oq3 s LEU 99 Ca 0.01 -0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2oq3 s LEU 99 Cb 0.09 -0.07 0.12 0.00 0.50 0.00 0.00 46.19 46.82 2oq3 s LEU 99 CO 0.50 -0.04 0.17 -0.76 -1.32 0.00 0.00 176.35 174.90 2oq3 s LEU 100 N 0.38 0.90 -0.22 -0.68 1.02 0.11 -0.83 118.68 119.36 2oq3 s LEU 100 Ca -0.03 -1.73 -0.29 0.00 0.02 0.00 0.00 54.13 52.10 2oq3 s LEU 100 Cb -0.05 -0.43 -0.00 0.00 0.02 0.00 0.00 46.19 45.73 2oq3 s LEU 100 CO -0.01 -0.38 1.21 -0.63 0.02 0.00 0.00 176.35 176.56 2oq3 s ILE 101 N 1.58 4.35 0.45 -0.59 1.09 -0.95 -1.32 121.20 125.81 2oq3 s ILE 101 Ca 0.13 1.61 -0.21 0.00 -1.10 0.00 0.00 60.65 61.08 2oq3 s ILE 101 Cb -0.19 -4.13 -0.10 0.00 -1.06 0.00 0.00 42.46 36.98 2oq3 s ILE 101 CO -0.19 -0.24 0.99 -0.83 -0.10 0.00 0.00 174.94 174.56 2oq3 s GLY 102 N 1.96 2.43 -0.09 6.18 0.00 0.25 -2.24 107.32 115.81 2oq3 s GLY 102 Ca 0.52 0.48 -0.08 0.00 0.00 0.00 0.00 44.72 45.64 2oq3 s GLY 102 CO 0.15 0.77 0.23 -2.27 0.00 0.00 0.00 173.10 171.98 2oq3 s LEU 103 N -3.33 1.05 -0.01 0.66 0.20 -0.77 -1.05 118.68 115.44 2oq3 s LEU 103 Ca 0.64 0.47 -0.03 0.00 0.69 0.00 0.00 54.13 55.90 2oq3 s LEU 103 Cb -0.12 0.78 0.00 0.00 -0.43 0.00 0.00 46.19 46.42 2oq3 s LEU 103 CO 0.16 -0.09 0.07 -0.44 -0.29 0.00 0.00 176.35 175.77 2oq3 s SER 104 N 0.23 0.02 -0.08 3.68 0.01 -0.09 -4.21 113.70 113.25 2oq3 s SER 104 Ca -0.01 -0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 2oq3 s SER 104 Cb -0.02 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.40 2oq3 s SER 104 CO -0.01 -0.18 0.22 0.00 0.41 0.00 0.00 173.24 173.68 2oq3 s ALA 105 N -0.68 -0.55 -0.21 1.44 0.00 -1.25 -0.71 121.76 119.80 2oq3 s ALA 105 Ca -0.08 0.66 0.19 0.00 0.00 0.00 0.00 51.96 52.73 2oq3 s ALA 105 Cb -0.05 -0.39 0.26 0.00 0.00 0.00 0.00 23.12 22.95 2oq3 s ALA 105 CO 0.00 -0.11 1.55 0.00 0.00 0.00 0.00 175.76 177.19 2oq3 h ALA 106 N 5.94 0.82 -2.57 0.00 0.00 -1.85 -3.39 119.26 118.21 2oq3 h ALA 106 Ca -0.27 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 2oq3 h ALA 106 Cb 1.19 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 2oq3 h ALA 106 CO 0.37 0.39 -0.53 0.34 0.00 0.00 0.00 179.25 179.82 2oq3 s ASP 107 N -6.34 0.20 0.37 0.00 2.15 -1.26 -4.92 116.67 106.86 2oq3 s ASP 107 Ca 0.04 -0.57 0.05 0.00 0.43 0.00 0.00 52.55 52.50 2oq3 s ASP 107 Cb 0.07 0.23 0.74 0.00 -0.30 0.00 0.00 42.92 43.66 2oq3 s ASP 107 CO 0.71 -0.53 2.00 0.00 -0.17 0.00 0.00 175.17 177.18 2oq3 h ALA 108 N 3.57 1.66 0.00 3.66 0.00 -1.99 0.48 119.26 126.65 2oq3 h ALA 108 Ca -0.33 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 2oq3 h ALA 108 Cb 1.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2oq3 h ALA 108 CO 0.52 0.27 -0.87 0.22 0.00 0.00 0.00 179.25 179.39 2oq3 h ASP 109 N 0.73 0.21 -0.73 0.00 3.58 -1.98 -0.82 116.42 117.41 2oq3 h ASP 109 Ca 0.25 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2oq3 h ASP 109 Cb 0.07 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2oq3 h ASP 109 CO -0.07 0.98 0.35 0.28 -2.88 0.00 0.00 179.24 177.91 2oq3 h SER 110 N 0.09 0.95 -0.10 2.28 0.02 -1.78 -0.66 113.55 114.34 2oq3 h SER 110 Ca -0.04 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2oq3 h SER 110 Cb 1.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 2oq3 h SER 110 CO 0.13 0.81 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.86 2oq3 h HIS 111 N 1.02 -0.06 0.17 3.45 -0.00 -0.72 -1.08 115.15 117.92 2oq3 h HIS 111 Ca 0.25 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.64 2oq3 h HIS 111 Cb 0.11 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 2oq3 h HIS 111 CO 0.01 -0.05 -0.25 0.82 -0.00 0.00 0.00 177.93 178.46 2oq3 h ILE 112 N -0.00 0.46 -0.93 6.26 1.08 -0.80 0.87 117.51 124.44 2oq3 h ILE 112 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2oq3 h ILE 112 Cb 0.08 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.24 2oq3 h ILE 112 CO -0.11 0.00 0.59 1.23 -0.69 0.00 0.00 178.15 179.17 2oq3 h GLY 113 N -0.48 1.32 0.64 5.37 0.00 -1.00 -0.49 103.07 108.43 2oq3 h GLY 113 Ca 0.02 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2oq3 h GLY 113 CO -0.11 0.51 -0.01 0.00 0.00 0.00 0.00 176.54 176.93 2oq3 h ALA 114 N 1.38 0.03 -0.69 3.60 0.00 -0.88 -2.29 119.26 120.41 2oq3 h ALA 114 Ca 0.34 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2oq3 h ALA 114 Cb -0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 2oq3 h ALA 114 CO -0.07 -0.27 0.36 0.82 0.00 0.00 0.00 179.25 180.09 2oq3 h ILE 115 N -0.33 0.90 0.00 0.00 1.08 -0.55 -0.58 117.51 118.03 2oq3 h ILE 115 Ca 0.01 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2oq3 h ILE 115 Cb 0.39 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 2oq3 h ILE 115 CO 0.00 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 2oq3 n GLN 116 N -4.83 0.10 0.01 2.37 1.13 -0.22 -0.38 117.38 115.56 2oq3 n GLN 116 Ca 0.10 0.32 -0.20 0.00 -1.94 0.00 0.00 57.00 55.28 2oq3 n GLN 116 Cb 0.23 -1.69 -0.14 0.00 0.11 0.00 0.00 30.24 28.75 2oq3 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oq3 h ALA 117 N 2.41 0.07 0.00 -1.58 0.00 -0.55 -3.37 119.26 116.24 2oq3 h ALA 117 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 54.91 53.93 2oq3 h ALA 117 Cb 0.33 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2oq3 h ALA 117 CO 0.00 0.56 -0.43 -0.07 0.00 0.00 0.00 179.25 179.32 2oq3 h LEU 118 N -0.46 0.00 -2.79 0.00 3.38 -0.51 -1.08 115.31 113.85 2oq3 h LEU 118 Ca -0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2oq3 h LEU 118 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2oq3 h LEU 118 CO 0.06 0.43 -0.00 0.28 0.09 0.00 0.00 178.44 179.30 2oq3 h SER 119 N 0.00 0.00 1.01 -0.43 0.02 -0.87 0.12 113.55 113.40 2oq3 h SER 119 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 119 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2oq3 h SER 119 CO 0.06 0.00 -0.15 -0.33 -1.14 0.00 0.00 176.83 175.27 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.34 -3.21 114.58 117.87 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 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2oq3 h GLU 120 CO 0.00 0.15 -0.44 1.28 -1.16 0.00 0.00 179.01 178.83 2oq3 n LEU 121 N -3.29 0.96 0.00 1.33 4.77 -0.16 -4.59 117.00 116.03 2oq3 n LEU 121 Ca 0.00 0.16 0.09 0.00 -0.03 0.00 0.00 56.01 56.24 2oq3 n LEU 121 Cb 0.40 -0.55 0.56 0.00 -2.33 0.00 0.00 43.42 41.50 2oq3 n LEU 121 CO 0.32 -0.42 0.77 0.18 -1.33 0.00 0.00 177.39 176.90 2oq3 n LEU 122 N -3.46 0.00 -0.55 2.23 4.77 0.25 -2.18 117.00 118.06 2oq3 n LEU 122 Ca -0.06 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.98 2oq3 n LEU 122 Cb 0.23 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.50 2oq3 n LEU 122 CO 0.09 0.00 0.38 0.00 -1.33 0.00 0.00 177.39 176.53 2oq3 s GLU 124 N -2.89 0.37 0.59 0.00 2.56 -0.92 -4.99 118.70 113.42 2oq3 s GLU 124 Ca 0.36 -0.89 0.29 0.00 0.00 0.00 0.00 54.97 54.73 2oq3 s GLU 124 Cb 0.35 -1.27 1.60 0.00 2.00 0.00 0.00 34.13 36.80 2oq3 s GLU 124 CO -0.06 -1.09 2.03 1.05 -0.56 0.00 0.00 175.26 176.63 2oq3 h GLU 125 N 7.83 0.00 -0.46 4.30 4.11 -1.93 0.10 114.58 128.53 2oq3 h GLU 125 Ca -0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 2oq3 h GLU 125 Cb 0.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2oq3 h GLU 125 CO 0.37 0.00 0.17 0.93 0.07 0.00 0.00 179.01 180.55 2oq3 h GLU 126 N 0.00 0.69 -0.09 1.06 5.08 -1.95 -3.02 114.58 116.36 2oq3 h GLU 126 Ca 0.13 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2oq3 h GLU 126 Cb 0.72 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2oq3 h GLU 126 CO -0.00 0.64 -0.80 0.82 -1.00 0.00 0.00 179.01 178.67 2oq3 h ILE 127 N 0.60 1.30 -0.81 3.13 5.03 -1.13 -3.22 117.51 122.41 2oq3 h ILE 127 Ca 0.15 -2.03 0.15 0.00 -0.12 0.00 0.00 64.86 63.01 2oq3 h ILE 127 Cb 0.22 2.16 -0.10 0.00 -3.03 0.00 0.00 36.82 36.08 2oq3 h ILE 127 CO -0.01 0.63 0.37 -0.07 -0.68 0.00 0.00 178.15 178.39 2oq3 h LEU 128 N 0.40 0.39 -0.58 1.44 4.07 -1.16 0.18 115.31 120.06 2oq3 h LEU 128 Ca -0.07 0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.85 2oq3 h LEU 128 Cb 1.45 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.24 2oq3 h LEU 128 CO 0.16 0.14 -0.43 -0.33 -1.08 0.00 0.00 178.44 176.90 2oq3 h GLU 129 N 0.52 0.64 -0.65 1.13 5.08 -1.61 0.61 114.58 120.29 2oq3 h GLU 129 Ca 0.45 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2oq3 h GLU 129 Cb 0.69 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2oq3 h GLU 129 CO -0.40 0.95 0.22 1.96 -1.00 0.00 0.00 179.01 180.74 2oq3 h GLN 130 N 0.52 1.00 0.19 2.33 4.20 -1.05 -1.22 115.11 121.08 2oq3 h GLN 130 Ca 0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 2oq3 h GLN 130 Cb 0.96 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2oq3 h GLN 130 CO 0.09 0.86 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.95 2oq3 h LEU 131 N 0.93 -0.22 -1.24 1.46 3.38 -0.93 -1.86 115.31 116.85 2oq3 h LEU 131 Ca 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2oq3 h LEU 131 Cb 0.27 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2oq3 h LEU 131 CO -0.01 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.85 2oq3 n LEU 132 N -5.05 0.58 -0.19 1.67 4.77 0.19 -1.50 117.00 117.48 2oq3 n LEU 132 Ca -0.09 0.74 0.02 0.00 -0.03 0.00 0.00 56.01 56.65 2oq3 n LEU 132 Cb 0.24 -0.77 0.04 0.00 -2.33 0.00 0.00 43.42 40.59 2oq3 n LEU 132 CO 0.31 -0.85 0.44 0.35 -1.33 0.00 0.00 177.39 176.31 2oq3 n THR 133 N -2.24 0.55 -1.63 -5.08 -2.24 -0.48 -5.02 114.28 98.14 2oq3 n THR 133 Ca -0.01 -0.77 -0.43 0.00 -2.27 0.00 0.00 64.05 60.57 2oq3 n THR 133 Cb 0.08 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.01 1.61 1.31 6.98 0.00 -0.56 -4.86 120.51 125.00 2oq3 n ALA 134 Ca 0.03 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2oq3 n ALA 134 Cb 0.21 -2.77 0.47 0.00 0.00 0.00 0.00 19.45 17.37 2oq3 n ALA 134 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2oq3 n SER 135 N 9.24 0.81 -3.76 0.00 7.64 -1.26 -4.91 113.62 121.37 2oq3 n SER 135 Ca 0.25 -0.78 -0.10 0.00 1.01 0.00 0.00 58.87 59.26 2oq3 n SER 135 Cb 0.41 0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.61 2oq3 n SER 135 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2oq3 s SER 136 N -2.48 -0.17 0.32 6.43 1.04 -1.26 -5.01 113.70 112.58 2oq3 s SER 136 Ca 0.26 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.19 2oq3 s SER 136 Cb 0.20 0.50 0.58 0.00 0.10 0.00 0.00 66.02 67.40 2oq3 s SER 136 CO 0.50 -0.94 1.95 -0.33 0.98 0.00 0.00 173.24 175.40 2oq3 h GLU 137 N 2.35 0.93 -0.47 4.02 3.07 -1.91 -2.07 114.58 120.52 2oq3 h GLU 137 Ca -0.31 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.52 2oq3 h GLU 137 Cb 1.25 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 2oq3 h GLU 137 CO 0.44 0.62 0.25 -0.22 -1.40 0.00 0.00 179.01 178.69 2oq3 h LYS 138 N 0.96 0.48 0.00 2.33 1.63 -1.96 -0.37 116.57 119.64 2oq3 h LYS 138 Ca 0.33 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.07 2oq3 h LYS 138 Cb 0.11 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2oq3 h LYS 138 CO -0.11 0.32 -0.18 0.37 -3.45 0.00 0.00 179.45 176.41 2oq3 h GLN 139 N 0.50 0.00 -0.03 1.90 4.15 -1.79 0.12 115.11 119.95 2oq3 h GLN 139 Ca 0.20 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 2oq3 h GLN 139 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2oq3 h GLN 139 CO -0.12 0.18 -0.12 -0.07 -1.93 0.00 0.00 178.83 176.77 2oq3 h LEU 140 N 0.00 0.17 -1.96 -2.39 3.38 -0.70 -3.26 115.31 110.55 2oq3 h LEU 140 Ca -0.00 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 2oq3 h LEU 140 Cb 0.41 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2oq3 h LEU 140 CO 0.02 0.76 -0.11 0.00 0.09 0.00 0.00 178.44 179.21 2oq3 h ALA 141 N 0.40 1.51 -0.83 1.53 0.00 -0.68 -1.30 119.26 119.89 2oq3 h ALA 141 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2oq3 h ALA 141 Cb 0.75 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2oq3 h ALA 141 CO 0.03 0.13 0.55 0.22 0.00 0.00 0.00 179.25 180.17 2oq3 h ASP 142 N 0.00 0.88 0.20 0.00 3.58 -0.82 -0.04 116.42 120.22 2oq3 h ASP 142 Ca -0.00 -0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.23 2oq3 h ASP 142 Cb 0.24 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2oq3 h ASP 142 CO 0.01 0.60 -0.81 0.40 -2.88 0.00 0.00 179.24 176.56 2oq3 h ILE 143 N 1.02 1.36 -0.32 2.25 2.04 -1.29 -2.08 117.51 120.50 2oq3 h ILE 143 Ca 0.33 -2.21 0.05 0.00 1.00 0.00 0.00 64.86 64.04 2oq3 h ILE 143 Cb 0.04 2.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 2oq3 h ILE 143 CO -0.10 0.67 0.01 0.40 0.00 0.00 0.00 178.15 179.13 2oq3 h ILE 144 N 0.31 0.78 0.00 -0.67 1.08 -1.09 -2.61 117.51 115.32 2oq3 h ILE 144 Ca -0.05 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.32 2oq3 h ILE 144 Cb 1.42 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 2oq3 h ILE 144 CO 0.15 0.02 -0.26 0.28 -0.69 0.00 0.00 178.15 177.64 2oq3 h SER 145 N 0.11 0.00 1.54 1.72 0.02 -0.67 -1.25 113.55 115.02 2oq3 h SER 145 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2oq3 h SER 145 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2oq3 h SER 145 CO -0.25 0.26 0.00 -0.09 -1.14 0.00 0.00 176.83 175.61 2oq3 h ARG 146 N 0.00 0.00 -0.00 3.45 2.43 -1.10 -3.49 114.38 115.68 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 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2oq3 h ARG 146 CO 0.03 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.90