#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 3.32 0.45 3.17 3.00 -1.26 -4.84 118.95 122.78 2oq3 s ARG 2 Ca 0.00 1.59 0.11 0.00 0.00 0.00 0.00 55.73 57.43 2oq3 s ARG 2 Cb 0.00 -4.23 1.02 0.00 0.00 0.00 0.00 34.95 31.74 2oq3 s ARG 2 CO 0.00 -1.88 2.08 -0.07 0.00 0.00 0.00 175.30 175.43 2oq3 h LEU 3 N 13.87 0.30 -2.11 2.53 -0.00 -1.78 -2.58 115.31 125.54 2oq3 h LEU 3 Ca -0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2oq3 h LEU 3 Cb 1.18 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2oq3 h LEU 3 CO 1.01 0.21 0.16 0.28 -0.00 0.00 0.00 178.44 180.10 2oq3 h SER 4 N 0.35 0.00 0.53 -0.43 0.02 -1.89 -0.98 113.55 111.16 2oq3 h SER 4 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2oq3 h SER 4 Cb 0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2oq3 h SER 4 CO -0.03 0.00 -0.07 -0.78 -1.14 0.00 0.00 176.83 174.81 2oq3 h ASP 5 N 0.00 0.00 -0.01 3.07 3.58 -1.86 -3.28 116.42 117.92 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 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2oq3 h ASP 5 CO 0.00 0.07 -0.42 -1.22 -2.88 0.00 0.00 179.24 174.80 2oq3 n TYR 6 N -3.35 0.00 -3.82 0.28 4.01 -0.37 -4.83 117.16 109.07 2oq3 n TYR 6 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 2oq3 n TYR 6 Cb 0.24 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2oq3 s PHE 7 N -2.21 3.38 0.00 -0.72 0.40 -1.24 0.23 117.98 117.81 2oq3 s PHE 7 Ca 0.16 -3.01 0.00 0.00 -0.60 0.00 0.00 56.93 53.48 2oq3 s PHE 7 Cb 0.16 -3.00 0.00 0.00 0.51 0.00 0.00 43.02 40.69 2oq3 s PHE 7 CO 0.50 -0.76 0.80 -2.30 0.70 0.00 0.00 175.22 174.16 2oq3 n PRO 8 N 3.04 0.00 0.00 0.24 -0.02 -1.26 -4.88 135.00 132.12 2oq3 n PRO 8 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2oq3 n PRO 8 Cb 0.35 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2oq3 n PRO 8 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2oq3 n GLU 9 N -2.19 0.00 0.00 -0.52 2.13 -1.26 -4.91 120.64 113.89 2oq3 n GLU 9 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2oq3 n GLU 9 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 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 -1.38 0.00 0.00 4.31 7.64 -1.26 -4.05 113.62 118.87 2oq3 n SER 10 Ca 0.00 -0.64 0.11 0.00 1.01 0.00 0.00 58.87 59.35 2oq3 n SER 10 Cb 0.00 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 2oq3 n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oq3 n SER 11 N -0.66 0.00 -3.96 6.43 7.64 -1.26 -4.72 113.62 117.09 2oq3 n SER 11 Ca 0.03 -0.59 -0.19 0.00 1.01 0.00 0.00 58.87 59.12 2oq3 n SER 11 Cb 0.01 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.02 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oq3 s ILE 12 N -2.09 0.65 -0.01 0.44 1.01 -1.26 -0.10 121.20 119.85 2oq3 s ILE 12 Ca 0.31 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 2oq3 s ILE 12 Cb 0.15 -0.60 0.05 0.00 0.01 0.00 0.00 42.46 42.07 2oq3 s ILE 12 CO 0.27 0.22 0.54 -0.44 0.00 0.00 0.00 174.94 175.53 2oq3 s SER 13 N 0.37 -0.48 0.01 3.58 0.01 -0.52 -4.98 113.70 111.69 2oq3 s SER 13 Ca -0.05 0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.67 2oq3 s SER 13 Cb -0.10 0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 2oq3 s SER 13 CO 0.00 -0.61 -0.24 -0.69 0.41 0.00 0.00 173.24 172.11 2oq3 s VAL 14 N -1.67 2.31 0.02 3.43 1.01 -1.26 -2.46 120.40 121.77 2oq3 s VAL 14 Ca -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2oq3 s VAL 14 Cb -0.01 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2oq3 s VAL 14 CO 0.05 0.47 -0.03 -0.63 0.00 0.00 0.00 175.10 174.96 2oq3 s ILE 15 N -0.74 0.15 0.06 2.22 1.01 0.42 -4.95 121.20 119.38 2oq3 s ILE 15 Ca 0.11 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 2oq3 s ILE 15 Cb -0.10 -0.25 -0.11 0.00 0.01 0.00 0.00 42.46 42.00 2oq3 s ILE 15 CO 0.01 -0.37 1.41 -0.74 0.00 0.00 0.00 174.94 175.26 2oq3 h HIS 16 N 4.97 0.51 -1.47 3.97 -0.00 -1.94 -0.39 115.15 120.81 2oq3 h HIS 16 Ca -0.31 -0.13 0.10 0.00 -0.00 0.00 0.00 60.37 60.03 2oq3 h HIS 16 Cb 1.21 -0.12 -0.25 0.00 -0.00 0.00 0.00 27.41 28.25 2oq3 h HIS 16 CO 0.60 0.75 0.60 -1.54 -0.00 0.00 0.00 177.93 178.33 2oq3 s SER 17 N -6.14 -0.33 0.62 3.26 1.04 -1.26 -1.04 113.70 109.85 2oq3 s SER 17 Ca -0.14 0.48 -0.12 0.00 0.48 0.00 0.00 55.95 56.65 2oq3 s SER 17 Cb 0.06 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2oq3 s SER 17 CO 0.76 -0.22 1.03 0.00 0.98 0.00 0.00 173.24 175.79 2oq3 s ALA 18 N -0.58 3.04 0.37 5.32 0.00 -1.26 -4.96 121.76 123.69 2oq3 s ALA 18 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.00 2oq3 s ALA 18 Cb -0.02 -3.10 0.73 0.00 0.00 0.00 0.00 23.12 20.73 2oq3 s ALA 18 CO -0.03 -0.70 2.00 -0.22 0.00 0.00 0.00 175.76 176.81 2oq3 h LYS 19 N -0.20 0.72 0.00 0.00 3.64 -1.99 -3.46 116.57 115.28 2oq3 h LYS 19 Ca -0.44 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 2oq3 h LYS 19 Cb 1.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2oq3 h LYS 19 CO 0.61 0.48 0.42 -3.47 -2.27 0.00 0.00 179.45 175.22 2oq3 n ASP 20 N -4.46 -1.88 0.04 4.20 2.03 -1.26 -4.95 116.55 110.27 2oq3 n ASP 20 Ca 0.07 -2.15 -0.00 0.00 0.52 0.00 0.00 54.79 53.23 2oq3 n ASP 20 Cb 0.12 3.09 0.30 0.00 -0.72 0.00 0.00 41.12 43.91 2oq3 n ASP 20 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2oq3 h TRP 21 N 1.93 0.45 -0.60 -0.67 5.08 -1.88 0.11 115.95 120.37 2oq3 h TRP 21 Ca -0.28 -0.06 0.08 0.00 1.08 0.00 0.00 58.89 59.70 2oq3 h TRP 21 Cb 1.14 -0.13 -0.06 0.00 -3.00 0.00 0.00 29.16 27.12 2oq3 h TRP 21 CO 0.00 0.53 0.27 1.96 -1.28 0.00 0.00 178.44 179.92 2oq3 h GLN 22 N 0.40 0.48 -0.11 0.12 4.20 -1.96 -0.36 115.11 117.89 2oq3 h GLN 22 Ca 0.08 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2oq3 h GLN 22 Cb 0.43 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2oq3 h GLN 22 CO 0.02 0.32 -0.54 1.49 -0.67 0.00 0.00 178.83 179.45 2oq3 h GLU 23 N 0.50 0.32 -0.31 1.46 4.57 -1.73 -2.55 114.58 116.84 2oq3 h GLU 23 Ca 0.29 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 58.19 2oq3 h GLU 23 Cb 0.29 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2oq3 h GLU 23 CO -0.24 0.78 -0.17 0.00 -1.18 0.00 0.00 179.01 178.20 2oq3 h ALA 24 N 1.18 1.14 -0.19 2.92 0.00 0.16 0.31 119.26 124.78 2oq3 h ALA 24 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2oq3 h ALA 24 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2oq3 h ALA 24 CO 0.09 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.71 2oq3 h ILE 25 N 0.50 1.25 -0.81 0.00 2.04 -1.04 -0.15 117.51 119.28 2oq3 h ILE 25 Ca 0.08 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.17 2oq3 h ILE 25 Cb 0.58 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 2oq3 h ILE 25 CO 0.04 0.25 0.50 -0.78 0.00 0.00 0.00 178.15 178.16 2oq3 h ASP 26 N 0.09 0.79 -0.06 1.72 3.58 -0.93 0.26 116.42 121.87 2oq3 h ASP 26 Ca 0.05 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 2oq3 h ASP 26 Cb 0.37 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2oq3 h ASP 26 CO 0.01 0.52 -0.11 -0.26 -2.88 0.00 0.00 179.24 176.51 2oq3 h PHE 27 N 0.93 0.37 0.00 0.28 0.04 -0.34 0.33 116.94 118.55 2oq3 h PHE 27 Ca 0.35 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2oq3 h PHE 27 Cb 0.13 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2oq3 h PHE 27 CO -0.04 0.47 0.00 0.77 -0.60 0.00 0.00 178.31 178.91 2oq3 h SER 28 N 0.34 0.00 0.00 2.17 0.02 0.96 -3.37 113.55 113.66 2oq3 h SER 28 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2oq3 h SER 28 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2oq3 h SER 28 CO 0.02 0.00 -0.72 0.23 -1.14 0.00 0.00 176.83 175.22 2oq3 n MET 29 N -2.76 2.09 -0.18 3.45 2.81 -0.60 -3.77 117.12 118.16 2oq3 n MET 29 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2oq3 n MET 29 Cb 0.21 -0.86 0.27 0.00 -0.71 0.00 0.00 33.22 32.13 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 -0.55 0.15 116.25 122.10 2oq3 h VAL 30 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2oq3 h VAL 30 Cb 0.25 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 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 0.94 0.00 0.12 3.17 0.02 -1.84 0.11 113.55 116.06 2oq3 h SER 31 Ca 0.25 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.92 2oq3 h SER 31 Cb -0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2oq3 h SER 31 CO -0.05 0.00 -1.46 -0.07 -1.14 0.00 0.00 176.83 174.11 2oq3 h LEU 32 N 0.00 0.38 -0.74 5.07 3.38 -1.38 -3.38 115.31 118.64 2oq3 h LEU 32 Ca 0.00 -0.85 0.06 0.00 0.09 0.00 0.00 57.88 57.18 2oq3 h LEU 32 Cb 0.35 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2oq3 h LEU 32 CO 0.00 1.64 0.43 0.25 0.09 0.00 0.00 178.44 180.85 2oq3 h LEU 33 N -0.28 0.64 -1.64 1.67 5.85 -0.14 -0.19 115.31 121.23 2oq3 h LEU 33 Ca -0.31 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2oq3 h LEU 33 Cb 1.78 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.71 2oq3 h LEU 33 CO 0.06 0.41 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.65 2oq3 h ASP 34 N 0.77 0.00 -0.23 1.25 3.58 -1.01 -0.92 116.42 119.86 2oq3 h ASP 34 Ca 0.33 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.70 2oq3 h ASP 34 Cb 0.21 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 2oq3 h ASP 34 CO -0.19 0.13 -0.11 0.29 -2.88 0.00 0.00 179.24 176.48 2oq3 n LYS 35 N -3.44 1.97 -2.09 0.28 4.01 -1.10 -4.98 118.16 112.82 2oq3 n LYS 35 Ca -0.01 -3.04 -0.20 0.00 -0.51 0.00 0.00 58.31 54.55 2oq3 n LYS 35 Cb 0.30 -1.75 -0.04 0.00 -0.51 0.00 0.00 35.03 33.04 2oq3 n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2oq3 n ASN 36 N -1.03 -5.64 0.27 4.39 2.85 -0.35 -4.86 115.26 110.89 2oq3 n ASN 36 Ca 0.26 0.17 0.14 0.00 -0.11 0.00 0.00 54.58 55.04 2oq3 n ASN 36 Cb 0.90 -4.75 0.71 0.00 1.24 0.00 0.00 39.78 37.88 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 2oq3 h TYR 37 N 0.00 0.00 -4.72 1.20 -1.99 -1.25 -3.39 116.97 106.82 2oq3 h TYR 37 Ca -0.46 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 59.84 2oq3 h TYR 37 Cb 1.34 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.95 2oq3 h TYR 37 CO 0.55 0.11 -0.41 0.96 -0.00 0.00 0.00 178.16 179.37 2oq3 s ILE 38 N -3.95 0.00 0.28 -2.88 -4.36 -1.25 -0.80 121.20 108.24 2oq3 s ILE 38 Ca -0.01 -1.90 0.09 0.00 -0.26 0.00 0.00 60.65 58.57 2oq3 s ILE 38 Cb 0.12 -2.55 -0.06 0.00 1.25 0.00 0.00 42.46 41.22 2oq3 s ILE 38 CO 0.57 0.00 -0.12 -0.94 0.24 0.00 0.00 174.94 174.69 2oq3 s SER 39 N -3.35 3.15 0.48 4.36 1.04 -0.27 -4.67 113.70 114.44 2oq3 s SER 39 Ca 0.38 -1.12 0.16 0.00 0.48 0.00 0.00 55.95 55.85 2oq3 s SER 39 Cb 0.01 -0.24 1.16 0.00 0.10 0.00 0.00 66.02 67.06 2oq3 s SER 39 CO 0.27 -0.18 2.06 -0.33 0.98 0.00 0.00 173.24 176.04 2oq3 h GLU 40 N 2.28 0.20 -0.35 4.02 3.07 -1.95 -0.78 114.58 121.07 2oq3 h GLU 40 Ca -0.40 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2oq3 h GLU 40 Cb 1.24 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 2oq3 h GLU 40 CO 0.65 0.13 0.22 -0.97 -1.40 0.00 0.00 179.01 177.65 2oq3 h ASN 41 N 0.21 0.41 -0.86 1.42 -1.24 -1.94 -2.79 115.58 110.79 2oq3 h ASN 41 Ca 0.15 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.16 2oq3 h ASN 41 Cb 0.32 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.22 2oq3 h ASN 41 CO -0.03 0.30 0.56 0.22 -1.29 0.00 0.00 177.43 177.20 2oq3 h TYR 42 N 0.48 1.07 0.16 0.67 3.20 -0.89 0.63 116.97 122.27 2oq3 h TYR 42 Ca 0.13 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2oq3 h TYR 42 Cb -0.04 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 37.87 2oq3 h TYR 42 CO 0.00 0.65 -0.11 0.82 -1.64 0.00 0.00 178.16 177.88 2oq3 h ILE 43 N 1.13 0.76 0.00 1.81 5.03 -1.62 -3.00 117.51 121.62 2oq3 h ILE 43 Ca 0.33 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 65.00 2oq3 h ILE 43 Cb -0.08 0.76 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 2oq3 h ILE 43 CO -0.09 0.00 -0.30 1.56 -0.68 0.00 0.00 178.15 178.64 2oq3 h GLN 44 N -0.27 0.00 -0.90 2.37 1.08 -1.34 -2.40 115.11 113.65 2oq3 h GLN 44 Ca -0.01 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 2oq3 h GLN 44 Cb 0.24 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.60 2oq3 h GLN 44 CO 0.00 0.30 0.55 0.00 -0.95 0.00 0.00 178.83 178.73 2oq3 h ALA 45 N 1.70 1.29 -0.16 3.87 0.00 -0.76 0.22 119.26 125.42 2oq3 h ALA 45 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2oq3 h ALA 45 Cb 0.68 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2oq3 h ALA 45 CO 0.04 0.21 -0.19 0.82 0.00 0.00 0.00 179.25 180.13 2oq3 h ILE 46 N 0.93 1.35 -0.58 0.00 2.04 -1.41 -2.76 117.51 117.08 2oq3 h ILE 46 Ca 0.42 -1.39 -0.11 0.00 1.00 0.00 0.00 64.86 64.79 2oq3 h ILE 46 Cb 0.33 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 2oq3 h ILE 46 CO -0.23 0.41 -0.05 0.11 0.00 0.00 0.00 178.15 178.39 2oq3 h LYS 47 N 0.03 1.06 -0.73 2.37 1.57 -1.11 -0.08 116.57 119.68 2oq3 h LYS 47 Ca 0.02 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2oq3 h LYS 47 Cb 0.74 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2oq3 h LYS 47 CO 0.05 1.06 0.35 0.22 -0.57 0.00 0.00 179.45 180.56 2oq3 h ASP 48 N 0.96 0.96 -0.64 0.86 3.58 -0.63 0.97 116.42 122.48 2oq3 h ASP 48 Ca 0.16 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2oq3 h ASP 48 Cb 0.62 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 2oq3 h ASP 48 CO 0.04 0.83 0.14 0.28 -2.88 0.00 0.00 179.24 177.65 2oq3 h SER 49 N 1.03 1.00 -0.98 2.28 0.02 -1.24 0.12 113.55 115.77 2oq3 h SER 49 Ca 0.25 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2oq3 h SER 49 Cb 0.13 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 2oq3 h SER 49 CO -0.03 0.98 0.65 0.74 -1.14 0.00 0.00 176.83 178.03 2oq3 h THR 50 N 0.96 1.25 -0.09 -2.27 2.02 -0.22 0.34 112.91 114.90 2oq3 h THR 50 Ca 0.20 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2oq3 h THR 50 Cb 0.39 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2oq3 h THR 50 CO 0.01 0.25 -0.06 0.40 0.37 0.00 0.00 175.52 176.48 2oq3 h ILE 51 N 1.33 1.34 -0.02 3.11 2.04 -0.53 -2.55 117.51 122.22 2oq3 h ILE 51 Ca 0.36 -1.13 -0.18 0.00 1.00 0.00 0.00 64.86 64.91 2oq3 h ILE 51 Cb -0.15 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2oq3 h ILE 51 CO -0.08 0.32 -0.78 0.78 0.00 0.00 0.00 178.15 178.39 2oq3 h ASN 52 N -0.19 0.25 0.00 1.72 2.35 -0.72 -3.41 115.58 115.58 2oq3 h ASN 52 Ca 0.02 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2oq3 h ASN 52 Cb 0.53 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2oq3 h ASN 52 CO 0.02 0.93 -0.37 -3.20 -1.65 0.00 0.00 177.43 173.16 2oq3 n ASN 53 N -3.73 0.11 0.00 5.81 2.85 0.05 -5.08 115.26 115.27 2oq3 n ASN 53 Ca -0.03 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2oq3 n ASN 53 Cb 0.74 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.77 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 2.29 1.88 3.68 8.20 0.00 -0.83 -4.94 105.19 115.47 2oq3 n GLY 54 Ca 0.00 -1.79 -0.48 0.00 0.00 0.00 0.00 46.02 43.74 2oq3 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oq3 n PRO 55 N -1.91 2.10 0.00 1.61 -0.04 -1.26 -3.76 135.00 131.74 2oq3 n PRO 55 Ca 0.00 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2oq3 n PRO 55 Cb 0.00 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 2oq3 n PRO 55 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2oq3 n TYR 56 N 5.92 0.00 -3.67 0.54 4.11 -1.26 -4.77 117.16 118.03 2oq3 n TYR 56 Ca 0.22 -0.45 -0.29 0.00 -0.00 0.00 0.00 57.90 57.37 2oq3 n TYR 56 Cb 0.28 -0.04 -0.13 0.00 -0.00 0.00 0.00 39.34 39.44 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 -0.90 1.66 -0.02 -3.48 2.02 -1.26 -5.07 117.35 110.30 2oq3 s TYR 57 Ca 0.00 -2.09 0.01 0.00 -0.37 0.00 0.00 57.07 54.61 2oq3 s TYR 57 Cb 0.00 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2oq3 s TYR 57 CO 0.00 -0.81 -0.01 0.42 -1.57 0.00 0.00 175.55 173.58 2oq3 s ILE 58 N 0.81 0.15 0.00 2.71 -1.09 -1.26 -1.34 121.20 121.18 2oq3 s ILE 58 Ca 0.16 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2oq3 s ILE 58 Cb -0.22 -0.20 0.00 0.00 -1.58 0.00 0.00 42.46 40.46 2oq3 s ILE 58 CO -0.06 0.10 0.00 0.18 -1.23 0.00 0.00 174.94 173.93 2oq3 n LEU 59 N 3.67 0.00 -3.55 2.97 7.99 -0.45 -4.96 117.00 122.66 2oq3 n LEU 59 Ca -0.21 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.69 2oq3 n LEU 59 Cb 0.54 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.83 2oq3 n LEU 59 CO 0.24 0.00 0.43 0.00 -1.51 0.00 0.00 177.39 176.55 2oq3 s ALA 60 N -1.79 -1.50 -0.28 -1.18 0.00 -1.21 -4.91 121.76 110.89 2oq3 s ALA 60 Ca 0.00 0.27 -0.39 0.00 0.00 0.00 0.00 51.96 51.85 2oq3 s ALA 60 Cb 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 23.12 23.84 2oq3 s ALA 60 CO 0.00 -0.85 1.86 -2.30 0.00 0.00 0.00 175.76 174.47 2oq3 n PRO 61 N -0.40 1.23 -0.51 0.00 -0.02 -1.26 -1.01 135.00 133.03 2oq3 n PRO 61 Ca -0.13 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2oq3 n PRO 61 Cb 0.63 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 4.75 0.75 2.91 -1.23 0.00 -1.26 -4.98 105.19 106.14 2oq3 n GLY 62 Ca 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.91 1.10 0.36 1.61 1.01 -0.18 -1.01 120.40 120.37 2oq3 s VAL 63 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.66 2oq3 s VAL 63 Cb 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 2oq3 s VAL 63 CO 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 175.10 175.38 2oq3 s ALA 64 N 1.67 2.90 -0.42 5.51 0.00 0.04 -1.35 121.76 130.12 2oq3 s ALA 64 Ca 0.04 -2.14 0.10 0.00 0.00 0.00 0.00 51.96 49.97 2oq3 s ALA 64 Cb -0.13 0.10 0.34 0.00 0.00 0.00 0.00 23.12 23.43 2oq3 s ALA 64 CO -0.08 -0.03 0.76 -0.12 0.00 0.00 0.00 175.76 176.29 2oq3 n MET 65 N -0.81 1.43 -1.67 0.00 0.00 -0.45 -2.22 117.12 113.39 2oq3 n MET 65 Ca -0.05 -3.68 -0.43 0.00 0.00 0.00 0.00 57.70 53.54 2oq3 n MET 65 Cb 0.65 -1.80 -0.03 0.00 0.00 0.00 0.00 33.22 32.04 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 0.24 2.78 -3.59 2.12 -0.02 -1.07 -4.77 135.00 130.69 2oq3 n PRO 66 Ca 0.26 1.02 -0.04 0.00 -2.02 0.00 0.00 63.50 62.71 2oq3 n PRO 66 Cb 0.60 -2.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.11 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 4.03 -0.17 0.28 6.00 5.65 -1.26 -4.11 115.29 125.71 2oq3 s HIS 67 Ca 0.88 0.07 0.02 0.00 0.25 0.00 0.00 55.06 56.28 2oq3 s HIS 67 Cb -0.47 0.54 -0.04 0.00 -1.18 0.00 0.00 32.58 31.42 2oq3 s HIS 67 CO 0.42 -0.36 0.14 0.00 -0.65 0.00 0.00 174.74 174.29 2oq3 s ALA 68 N -2.67 1.78 0.75 1.58 0.00 -1.26 -4.84 121.76 117.10 2oq3 s ALA 68 Ca 0.09 -1.79 -0.15 0.00 0.00 0.00 0.00 51.96 50.11 2oq3 s ALA 68 Cb -0.00 1.15 0.04 0.00 0.00 0.00 0.00 23.12 24.31 2oq3 s ALA 68 CO -0.05 -0.50 1.12 0.54 0.00 0.00 0.00 175.76 176.86 2oq3 n ARG 69 N -0.50 0.45 -0.37 0.00 1.74 -1.26 -4.90 116.66 111.81 2oq3 n ARG 69 Ca 0.01 0.22 0.02 0.00 -0.77 0.00 0.00 57.85 57.33 2oq3 n ARG 69 Cb 0.65 -2.37 0.17 0.00 -1.02 0.00 0.00 32.46 29.90 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2oq3 h PRO 70 N -0.44 1.16 0.00 5.56 0.13 -1.93 -1.42 132.00 135.05 2oq3 h PRO 70 Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2oq3 h PRO 70 Cb 1.32 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2oq3 h PRO 70 CO 0.47 0.77 0.00 0.39 -0.23 0.00 0.00 178.00 179.40 2oq3 n GLU 71 N -4.49 0.09 0.00 0.86 1.02 -1.26 -0.98 120.64 115.88 2oq3 n GLU 71 Ca 0.15 0.47 0.13 0.00 -0.02 0.00 0.00 57.16 57.89 2oq3 n GLU 71 Cb 0.17 -1.73 0.67 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.93 0.81 3.77 0.00 0.00 -0.87 -2.65 105.19 107.18 2oq3 n GLY 73 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.93 2.97 0.00 4.61 0.00 -0.15 -1.12 121.76 127.14 2oq3 s ALA 74 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 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 -0.78 0.00 1.28 0.00 0.00 0.00 175.76 176.26 2oq3 n LEU 75 N -0.51 0.00 -3.84 0.00 4.77 0.02 -4.83 117.00 112.60 2oq3 n LEU 75 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2oq3 n LEU 75 Cb 0.47 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2oq3 n LEU 75 CO 0.49 0.00 -0.08 -0.54 -1.33 0.00 0.00 177.39 175.93 2oq3 s LYS 76 N -1.33 0.75 -0.11 3.23 1.02 -0.36 -4.75 119.74 118.19 2oq3 s LYS 76 Ca 0.00 -0.70 -0.22 0.00 0.02 0.00 0.00 55.97 55.07 2oq3 s LYS 76 Cb 0.00 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.58 2oq3 s LYS 76 CO 0.00 -0.22 0.64 0.99 -0.92 0.00 0.00 175.35 175.83 2oq3 s THR 77 N -2.90 5.07 -0.02 2.17 2.01 -1.26 -4.04 115.64 116.67 2oq3 s THR 77 Ca -0.02 1.28 -0.25 0.00 0.31 0.00 0.00 61.69 63.01 2oq3 s THR 77 Cb 0.00 -3.97 0.08 0.00 0.01 0.00 0.00 72.50 68.63 2oq3 s THR 77 CO -0.06 0.24 1.14 0.61 -0.69 0.00 0.00 174.62 175.86 2oq3 n GLY 78 N 3.28 0.26 3.49 4.40 0.00 -0.13 -4.96 105.19 111.53 2oq3 n GLY 78 Ca -0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.01 1.59 0.23 1.61 -1.94 0.13 -0.64 119.30 118.27 2oq3 s MET 79 Ca 0.27 -1.47 -0.14 0.00 -1.71 0.00 0.00 55.69 52.64 2oq3 s MET 79 Cb -0.01 0.43 0.00 0.00 2.01 0.00 0.00 34.83 37.26 2oq3 s MET 79 CO -0.01 -0.64 0.48 -1.12 -0.01 0.00 0.00 175.02 173.73 2oq3 s SER 80 N -3.11 -0.12 -0.10 3.03 0.01 -0.47 -4.48 113.70 108.45 2oq3 s SER 80 Ca 0.28 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 2oq3 s SER 80 Cb 0.01 0.58 0.05 0.00 0.21 0.00 0.00 66.02 66.87 2oq3 s SER 80 CO 0.13 -1.11 0.22 -0.22 0.41 0.00 0.00 173.24 172.67 2oq3 s LEU 81 N -2.97 0.18 0.03 2.44 2.96 0.86 -0.52 118.68 121.66 2oq3 s LEU 81 Ca 0.18 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.59 2oq3 s LEU 81 Cb -0.01 0.58 -0.02 0.00 0.50 0.00 0.00 46.19 47.25 2oq3 s LEU 81 CO 0.05 -0.20 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.90 2oq3 s THR 82 N 1.75 0.74 -0.03 3.68 2.01 0.11 -1.44 115.64 122.46 2oq3 s THR 82 Ca -0.04 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2oq3 s THR 82 Cb -0.11 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.72 2oq3 s THR 82 CO -0.08 -0.08 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.53 2oq3 s LEU 83 N -0.97 1.47 -0.20 4.42 0.20 -1.03 -1.38 118.68 121.19 2oq3 s LEU 83 Ca -0.02 -0.08 -0.02 0.00 0.69 0.00 0.00 54.13 54.70 2oq3 s LEU 83 Cb -0.07 -0.30 -0.00 0.00 -0.43 0.00 0.00 46.19 45.39 2oq3 s LEU 83 CO 0.01 -0.04 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.18 2oq3 s LEU 84 N 0.65 2.69 0.32 -0.68 1.02 0.10 -0.44 118.68 122.35 2oq3 s LEU 84 Ca -0.07 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.64 2oq3 s LEU 84 Cb -0.11 -1.66 0.54 0.00 0.02 0.00 0.00 46.19 44.98 2oq3 s LEU 84 CO -0.01 0.01 1.96 -0.33 0.02 0.00 0.00 176.35 178.01 2oq3 h GLU 85 N 7.89 0.90 0.00 1.70 5.08 0.05 -2.03 114.58 128.17 2oq3 h GLU 85 Ca -0.40 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2oq3 h GLU 85 Cb 1.16 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2oq3 h GLU 85 CO 0.61 0.64 -0.97 1.04 -1.00 0.00 0.00 179.01 179.32 2oq3 n GLN 86 N -4.40 0.31 -0.62 2.33 6.02 -0.21 -5.04 117.38 115.78 2oq3 n GLN 86 Ca 0.07 0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.15 2oq3 n GLN 86 Cb 0.07 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 29.70 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 1.35 -1.78 3.39 1.08 0.00 -0.76 -4.89 105.19 103.58 2oq3 n GLY 87 Ca 0.02 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.16 0.06 -0.38 1.61 0.11 -0.99 -4.61 120.40 115.03 2oq3 s VAL 88 Ca 0.00 -1.12 -0.13 0.00 -2.93 0.00 0.00 61.98 57.80 2oq3 s VAL 88 Cb 0.00 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.19 2oq3 s VAL 88 CO 0.00 -0.26 0.24 -0.47 -3.33 0.00 0.00 175.10 171.28 2oq3 s TYR 89 N -3.92 3.24 -0.26 1.54 5.04 -1.26 -0.58 117.35 121.14 2oq3 s TYR 89 Ca 0.13 -0.75 -0.27 0.00 -2.44 0.00 0.00 57.07 53.74 2oq3 s TYR 89 Cb 0.02 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.83 2oq3 s TYR 89 CO -0.02 -0.60 0.94 -0.06 -1.34 0.00 0.00 175.55 174.47 2oq3 s PHE 90 N 1.62 3.27 -0.16 4.97 0.40 -1.26 -4.53 117.98 122.28 2oq3 s PHE 90 Ca 0.04 1.21 -0.29 0.00 -0.60 0.00 0.00 56.93 57.29 2oq3 s PHE 90 Cb -0.19 -3.27 -0.05 0.00 0.51 0.00 0.00 43.02 40.02 2oq3 s PHE 90 CO 0.08 -0.52 2.07 -1.25 0.70 0.00 0.00 175.22 176.30 2oq3 s PRO 91 N 3.13 3.45 0.00 0.24 0.04 -1.26 -2.00 135.00 138.60 2oq3 s PRO 91 Ca 0.39 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2oq3 s PRO 91 Cb -0.14 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2oq3 s PRO 91 CO 0.09 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2oq3 n GLY 92 N 5.34 1.67 2.70 0.56 0.00 -1.26 -4.05 105.19 110.14 2oq3 n GLY 92 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.32 3.87 0.55 1.61 2.47 -0.85 -4.87 114.94 116.40 2oq3 s ASN 93 Ca 0.00 -1.81 0.23 0.00 0.42 0.00 0.00 52.86 51.70 2oq3 s ASN 93 Cb 0.00 -0.83 1.54 0.00 -1.45 0.00 0.00 41.25 40.51 2oq3 s ASN 93 CO 0.00 -0.39 2.19 -0.78 -3.72 0.00 0.00 177.10 174.41 2oq3 h ASP 94 N 7.82 0.00 -2.92 -4.21 3.58 -1.97 -3.39 116.42 115.32 2oq3 h ASP 94 Ca -0.11 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.81 2oq3 h ASP 94 Cb 1.00 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.07 2oq3 h ASP 94 CO 0.46 0.01 0.80 -0.70 -2.88 0.00 0.00 179.24 176.93 2oq3 s GLU 95 N -4.81 4.28 0.11 0.28 2.56 -1.26 -4.94 118.70 114.93 2oq3 s GLU 95 Ca -0.05 2.12 -0.31 0.00 0.00 0.00 0.00 54.97 56.73 2oq3 s GLU 95 Cb 0.16 -3.34 -0.08 0.00 2.00 0.00 0.00 34.13 32.87 2oq3 s GLU 95 CO 0.61 -0.52 1.37 -1.25 -0.56 0.00 0.00 175.26 174.91 2oq3 s PRO 96 N 1.55 4.33 -0.44 4.30 0.04 -1.26 -4.70 135.00 138.81 2oq3 s PRO 96 Ca 0.66 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.47 2oq3 s PRO 96 Cb -0.37 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 30.90 2oq3 s PRO 96 CO 0.30 -0.43 1.59 0.42 0.04 0.00 0.00 177.00 178.92 2oq3 s ILE 97 N 1.14 3.68 -0.42 0.56 -1.09 0.25 -4.33 121.20 120.99 2oq3 s ILE 97 Ca 0.64 0.64 0.23 0.00 -2.23 0.00 0.00 60.65 59.94 2oq3 s ILE 97 Cb -0.36 -4.04 0.18 0.00 -1.58 0.00 0.00 42.46 36.66 2oq3 s ILE 97 CO 0.30 -0.75 1.39 0.11 -1.23 0.00 0.00 174.94 174.76 2oq3 h LYS 98 N 12.00 0.00 -4.00 2.79 1.57 -1.32 -2.63 116.57 124.99 2oq3 h LYS 98 Ca -0.29 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.21 2oq3 h LYS 98 Cb 1.13 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.15 2oq3 h LYS 98 CO 1.10 0.00 -0.74 -0.51 -0.57 0.00 0.00 179.45 178.74 2oq3 s LEU 99 N -5.50 1.94 -0.02 2.94 1.43 -0.35 -0.72 118.68 118.41 2oq3 s LEU 99 Ca 0.05 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2oq3 s LEU 99 Cb 0.08 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.18 2oq3 s LEU 99 CO 0.71 0.02 0.04 -0.76 0.23 0.00 0.00 176.35 176.59 2oq3 s LEU 100 N 0.02 1.42 -0.13 1.79 1.02 -0.48 -0.78 118.68 121.54 2oq3 s LEU 100 Ca 0.00 0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.25 2oq3 s LEU 100 Cb -0.02 0.05 0.01 0.00 0.02 0.00 0.00 46.19 46.25 2oq3 s LEU 100 CO -0.00 -0.08 -0.22 -0.63 0.02 0.00 0.00 176.35 175.44 2oq3 s ILE 101 N 0.60 2.07 0.40 -0.59 1.01 -0.94 -0.71 121.20 123.03 2oq3 s ILE 101 Ca -0.05 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 2oq3 s ILE 101 Cb -0.07 -1.81 -0.07 0.00 0.01 0.00 0.00 42.46 40.51 2oq3 s ILE 101 CO -0.02 0.55 0.79 -0.83 0.00 0.00 0.00 174.94 175.44 2oq3 s GLY 102 N 0.67 2.05 -0.08 6.18 0.00 0.32 -2.60 107.32 113.87 2oq3 s GLY 102 Ca -0.11 -0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.39 2oq3 s GLY 102 CO 0.01 0.12 0.34 -2.27 0.00 0.00 0.00 173.10 171.31 2oq3 s LEU 103 N -3.67 0.70 -0.00 0.66 0.20 -1.26 -1.37 118.68 113.93 2oq3 s LEU 103 Ca 0.53 0.46 -0.03 0.00 0.69 0.00 0.00 54.13 55.78 2oq3 s LEU 103 Cb -0.10 1.27 -0.00 0.00 -0.43 0.00 0.00 46.19 46.92 2oq3 s LEU 103 CO 0.28 -0.27 0.06 -0.94 -0.29 0.00 0.00 176.35 175.20 2oq3 s SER 104 N -0.46 0.06 -0.01 3.68 1.04 0.18 -4.52 113.70 113.68 2oq3 s SER 104 Ca -0.06 -0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 2oq3 s SER 104 Cb -0.04 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2oq3 s SER 104 CO 0.02 -0.22 0.12 0.00 0.98 0.00 0.00 173.24 174.14 2oq3 s ALA 105 N -0.90 -0.29 -0.75 5.32 0.00 -1.26 -0.95 121.76 122.93 2oq3 s ALA 105 Ca -0.10 -0.08 0.26 0.00 0.00 0.00 0.00 51.96 52.04 2oq3 s ALA 105 Cb -0.06 0.05 0.67 0.00 0.00 0.00 0.00 23.12 23.79 2oq3 s ALA 105 CO 0.00 -0.18 1.61 0.00 0.00 0.00 0.00 175.76 177.19 2oq3 n ALA 106 N 1.74 2.62 -2.68 0.00 0.00 -1.26 -4.54 120.51 116.39 2oq3 n ALA 106 Ca -0.21 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 2oq3 n ALA 106 Cb 0.56 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 2oq3 n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2oq3 s ASP 107 N -4.11 1.00 0.36 0.00 2.15 -1.26 -4.96 116.67 109.85 2oq3 s ASP 107 Ca 0.10 -0.67 0.04 0.00 0.43 0.00 0.00 52.55 52.44 2oq3 s ASP 107 Cb 0.14 0.04 0.68 0.00 -0.30 0.00 0.00 42.92 43.48 2oq3 s ASP 107 CO 0.64 -0.26 1.98 0.00 -0.17 0.00 0.00 175.17 177.36 2oq3 h ALA 108 N 4.09 1.53 -0.03 3.66 0.00 -1.99 -0.36 119.26 126.16 2oq3 h ALA 108 Ca -0.36 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 2oq3 h ALA 108 Cb 1.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2oq3 h ALA 108 CO 0.47 0.39 -0.62 0.22 0.00 0.00 0.00 179.25 179.71 2oq3 h ASP 109 N 0.68 0.11 -0.65 0.00 3.58 -1.99 -0.67 116.42 117.48 2oq3 h ASP 109 Ca 0.17 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 2oq3 h ASP 109 Cb 0.05 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 2oq3 h ASP 109 CO -0.03 0.70 0.20 0.28 -2.88 0.00 0.00 179.24 177.52 2oq3 h SER 110 N 0.07 0.97 -0.59 2.28 0.02 -1.71 -0.65 113.55 113.94 2oq3 h SER 110 Ca -0.01 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2oq3 h SER 110 Cb 1.10 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2oq3 h SER 110 CO 0.09 0.91 0.31 0.45 -1.14 0.00 0.00 176.83 177.45 2oq3 h HIS 111 N 1.00 0.83 0.40 3.45 3.86 -0.54 -1.09 115.15 123.06 2oq3 h HIS 111 Ca 0.22 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2oq3 h HIS 111 Cb 0.30 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2oq3 h HIS 111 CO 0.02 0.62 -0.29 0.82 0.86 0.00 0.00 177.93 179.96 2oq3 h ILE 112 N 0.80 0.39 -0.95 2.45 1.08 -0.73 0.11 117.51 120.67 2oq3 h ILE 112 Ca 0.21 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.71 2oq3 h ILE 112 Cb 0.08 0.39 -0.05 0.00 -3.07 0.00 0.00 36.82 34.17 2oq3 h ILE 112 CO -0.03 0.00 0.62 1.23 -0.69 0.00 0.00 178.15 179.28 2oq3 h GLY 113 N -0.68 1.37 0.67 5.37 0.00 -1.02 -0.58 103.07 108.19 2oq3 h GLY 113 Ca -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2oq3 h GLY 113 CO 0.01 0.42 -0.01 0.00 0.00 0.00 0.00 176.54 176.95 2oq3 h ALA 114 N 1.44 0.07 -0.76 3.60 0.00 -0.98 -2.15 119.26 120.47 2oq3 h ALA 114 Ca 0.37 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2oq3 h ALA 114 Cb -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2oq3 h ALA 114 CO -0.11 -0.22 0.44 0.82 0.00 0.00 0.00 179.25 180.19 2oq3 h ILE 115 N -0.25 0.97 0.00 0.00 1.08 -0.43 -0.24 117.51 118.64 2oq3 h ILE 115 Ca 0.01 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2oq3 h ILE 115 Cb 0.41 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2oq3 h ILE 115 CO 0.01 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.61 2oq3 n GLN 116 N -4.73 0.10 0.00 2.37 1.13 -0.26 -0.45 117.38 115.55 2oq3 n GLN 116 Ca 0.11 0.31 -0.20 0.00 -1.94 0.00 0.00 57.00 55.29 2oq3 n GLN 116 Cb 0.21 -1.68 -0.14 0.00 0.11 0.00 0.00 30.24 28.73 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 2.42 0.05 0.00 -1.58 0.00 -0.40 -3.37 119.26 116.38 2oq3 h ALA 117 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 54.91 53.98 2oq3 h ALA 117 Cb 0.34 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2oq3 h ALA 117 CO 0.00 0.51 -0.40 -0.07 0.00 0.00 0.00 179.25 179.29 2oq3 h LEU 118 N -0.49 0.00 -2.45 0.00 3.38 -0.40 -0.66 115.31 114.69 2oq3 h LEU 118 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2oq3 h LEU 118 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2oq3 h LEU 118 CO 0.07 0.40 -0.02 0.28 0.09 0.00 0.00 178.44 179.26 2oq3 h SER 119 N 0.00 0.00 0.95 -0.43 0.02 -0.93 0.22 113.55 113.38 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 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2oq3 h SER 119 CO 0.05 0.02 0.00 -0.33 -1.14 0.00 0.00 176.83 175.43 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.27 -2.57 114.58 118.58 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 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2oq3 h GLU 120 CO 0.00 0.00 -0.19 1.28 -1.16 0.00 0.00 179.01 178.94 2oq3 n LEU 121 N -2.52 0.43 0.00 1.33 4.77 -0.11 -4.49 117.00 116.41 2oq3 n LEU 121 Ca 0.02 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 2oq3 n LEU 121 Cb 0.29 -0.45 0.57 0.00 -2.33 0.00 0.00 43.42 41.50 2oq3 n LEU 121 CO 0.24 -0.47 0.88 0.18 -1.33 0.00 0.00 177.39 176.88 2oq3 n LEU 122 N -2.93 0.00 -0.60 2.23 4.77 0.58 -2.32 117.00 118.75 2oq3 n LEU 122 Ca -0.03 0.32 0.06 0.00 -0.03 0.00 0.00 56.01 56.33 2oq3 n LEU 122 Cb 0.10 -0.32 0.21 0.00 -2.33 0.00 0.00 43.42 41.08 2oq3 n LEU 122 CO 0.04 -0.07 0.37 0.00 -1.33 0.00 0.00 177.39 176.40 2oq3 s GLU 124 N -3.23 0.97 0.56 0.00 0.41 -0.98 -4.91 118.70 111.52 2oq3 s GLU 124 Ca 0.38 -0.70 0.25 0.00 -0.41 0.00 0.00 54.97 54.49 2oq3 s GLU 124 Cb 0.37 -2.25 1.55 0.00 -1.78 0.00 0.00 34.13 32.01 2oq3 s GLU 124 CO -0.07 -0.68 2.12 1.05 -0.49 0.00 0.00 175.26 177.19 2oq3 h GLU 125 N 8.13 0.00 -0.37 1.61 4.11 -1.91 0.20 114.58 126.35 2oq3 h GLU 125 Ca -0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 2oq3 h GLU 125 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2oq3 h GLU 125 CO 0.38 0.00 0.12 0.93 0.07 0.00 0.00 179.01 180.51 2oq3 h GLU 126 N 0.00 0.56 -0.30 1.06 5.08 -1.95 -2.42 114.58 116.62 2oq3 h GLU 126 Ca 0.08 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2oq3 h GLU 126 Cb 0.39 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2oq3 h GLU 126 CO -0.00 0.57 -0.41 0.82 -1.00 0.00 0.00 179.01 178.99 2oq3 h ILE 127 N 0.44 1.29 -0.99 3.13 5.03 -1.43 -3.09 117.51 121.88 2oq3 h ILE 127 Ca 0.12 -1.60 0.09 0.00 -0.12 0.00 0.00 64.86 63.35 2oq3 h ILE 127 Cb 0.23 1.59 -0.07 0.00 -3.03 0.00 0.00 36.82 35.54 2oq3 h ILE 127 CO -0.01 0.52 0.64 -0.07 -0.68 0.00 0.00 178.15 178.55 2oq3 h LEU 128 N 0.57 0.98 -0.55 1.44 3.38 -0.75 0.79 115.31 121.17 2oq3 h LEU 128 Ca 0.03 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2oq3 h LEU 128 Cb 1.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2oq3 h LEU 128 CO 0.10 0.58 -0.42 -0.33 0.09 0.00 0.00 178.44 178.45 2oq3 h GLU 129 N 1.08 0.69 -0.57 1.13 5.08 -1.50 0.61 114.58 121.10 2oq3 h GLU 129 Ca 0.46 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2oq3 h GLU 129 Cb 0.32 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2oq3 h GLU 129 CO -0.21 0.98 0.08 1.96 -1.00 0.00 0.00 179.01 180.82 2oq3 h GLN 130 N 0.56 0.96 0.20 2.33 4.20 -0.89 -0.85 115.11 121.62 2oq3 h GLN 130 Ca 0.04 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2oq3 h GLN 130 Cb 0.96 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2oq3 h GLN 130 CO 0.09 0.92 -0.10 -0.07 -0.67 0.00 0.00 178.83 179.00 2oq3 h LEU 131 N 0.85 -0.23 -2.15 1.46 3.38 -0.88 -2.01 115.31 115.74 2oq3 h LEU 131 Ca 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2oq3 h LEU 131 Cb 0.44 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2oq3 h LEU 131 CO 0.01 0.10 0.03 -0.07 0.09 0.00 0.00 178.44 178.60 2oq3 h LEU 132 N -0.58 0.00 -1.97 1.67 3.38 -0.66 0.37 115.31 117.53 2oq3 h LEU 132 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 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 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 2oq3 n THR 133 N -2.65 0.32 -2.00 0.22 -2.24 -0.34 -4.98 114.28 102.61 2oq3 n THR 133 Ca -0.02 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.69 2oq3 n THR 133 Cb 0.08 1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 2oq3 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oq3 s ALA 134 N -1.12 3.51 0.00 6.98 0.00 0.12 -4.93 121.76 126.31 2oq3 s ALA 134 Ca 0.21 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2oq3 s ALA 134 Cb 0.13 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2oq3 s ALA 134 CO 0.18 -0.81 0.28 0.43 0.00 0.00 0.00 175.76 175.85 2oq3 n SER 135 N 0.62 0.45 -3.89 0.00 7.64 -1.26 -5.04 113.62 112.14 2oq3 n SER 135 Ca 0.01 -1.07 -0.11 0.00 1.01 0.00 0.00 58.87 58.71 2oq3 n SER 135 Cb 0.41 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 2oq3 n SER 135 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2oq3 s SER 136 N -0.07 0.06 0.21 6.43 0.01 -1.26 -5.06 113.70 114.02 2oq3 s SER 136 Ca 0.00 -0.27 -0.10 0.00 1.31 0.00 0.00 55.95 56.88 2oq3 s SER 136 Cb 0.00 0.20 0.17 0.00 0.21 0.00 0.00 66.02 66.60 2oq3 s SER 136 CO 0.00 -0.39 1.86 -0.08 0.41 0.00 0.00 173.24 175.04 2oq3 h GLU 137 N 4.21 0.87 -0.53 12.44 4.81 -1.94 -1.73 114.58 132.71 2oq3 h GLU 137 Ca -0.31 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.87 2oq3 h GLU 137 Cb 1.19 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2oq3 h GLU 137 CO 0.42 0.58 0.35 -0.22 -0.73 0.00 0.00 179.01 179.41 2oq3 h LYS 138 N 0.90 0.70 -0.70 1.92 1.63 -1.97 -2.01 116.57 117.05 2oq3 h LYS 138 Ca 0.27 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.96 2oq3 h LYS 138 Cb -0.03 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 2oq3 h LYS 138 CO -0.09 0.47 0.17 0.37 -3.45 0.00 0.00 179.45 176.92 2oq3 h GLN 139 N 0.72 1.11 -0.25 1.90 4.15 -1.74 0.18 115.11 121.19 2oq3 h GLN 139 Ca 0.20 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 2oq3 h GLN 139 Cb -0.08 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 2oq3 h GLN 139 CO -0.04 0.98 0.02 -0.07 -1.93 0.00 0.00 178.83 177.80 2oq3 h LEU 140 N 1.05 0.41 -1.90 -2.39 3.38 -1.13 -2.67 115.31 112.05 2oq3 h LEU 140 Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2oq3 h LEU 140 Cb 0.37 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2oq3 h LEU 140 CO 0.00 0.59 -0.12 0.00 0.09 0.00 0.00 178.44 179.01 2oq3 h ALA 141 N 0.84 1.54 -0.54 1.53 0.00 -1.16 -1.73 119.26 119.74 2oq3 h ALA 141 Ca 0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2oq3 h ALA 141 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2oq3 h ALA 141 CO 0.01 0.15 0.01 0.22 0.00 0.00 0.00 179.25 179.63 2oq3 h ASP 142 N 0.00 0.88 -0.00 0.00 3.58 -0.32 -0.08 116.42 120.48 2oq3 h ASP 142 Ca -0.00 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 57.09 2oq3 h ASP 142 Cb 0.25 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2oq3 h ASP 142 CO 0.02 0.94 -0.41 0.40 -2.88 0.00 0.00 179.24 177.30 2oq3 h ILE 143 N 0.84 1.30 -0.12 2.25 2.04 -1.10 -0.48 117.51 122.24 2oq3 h ILE 143 Ca 0.16 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.47 2oq3 h ILE 143 Cb 0.49 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2oq3 h ILE 143 CO 0.02 0.50 -0.08 0.40 0.00 0.00 0.00 178.15 178.99 2oq3 h ILE 144 N 0.43 0.75 -0.04 -0.67 1.08 -0.99 -2.81 117.51 115.27 2oq3 h ILE 144 Ca 0.04 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.45 2oq3 h ILE 144 Cb 0.91 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 2oq3 h ILE 144 CO 0.08 0.00 -0.23 0.28 -0.69 0.00 0.00 178.15 177.58 2oq3 h SER 145 N -0.08 0.07 0.01 1.72 0.02 -0.38 -0.82 113.55 114.08 2oq3 h SER 145 Ca 0.08 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2oq3 h SER 145 Cb 0.20 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2oq3 h SER 145 CO -0.18 0.31 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.72 2oq3 h ARG 146 N 0.06 0.00 0.00 3.45 2.43 -0.85 -3.47 114.38 116.01 2oq3 h ARG 146 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2oq3 h ARG 146 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2oq3 h ARG 146 CO 0.03 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.91