#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 2.99 0.20 2.12 3.00 -1.26 -4.84 118.95 121.16 2oq3 s ARG 2 Ca 0.00 1.33 -0.11 0.00 0.00 0.00 0.00 55.73 56.95 2oq3 s ARG 2 Cb 0.00 -4.31 0.13 0.00 0.00 0.00 0.00 34.95 30.77 2oq3 s ARG 2 CO 0.00 -2.26 1.86 -0.07 0.00 0.00 0.00 175.30 174.82 2oq3 h LEU 3 N 15.23 0.82 -2.24 2.53 -0.00 -1.10 -2.58 115.31 127.96 2oq3 h LEU 3 Ca -0.32 -0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.57 2oq3 h LEU 3 Cb 1.19 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.64 2oq3 h LEU 3 CO 1.08 0.61 0.23 0.28 -0.00 0.00 0.00 178.44 180.65 2oq3 h SER 4 N 0.95 0.00 0.24 -0.43 0.02 -1.69 -0.09 113.55 112.56 2oq3 h SER 4 Ca 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2oq3 h SER 4 Cb -0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2oq3 h SER 4 CO -0.05 0.00 -0.04 -0.78 -1.14 0.00 0.00 176.83 174.82 2oq3 h ASP 5 N 0.00 0.00 0.00 3.07 3.58 -1.81 -3.23 116.42 118.04 2oq3 h ASP 5 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2oq3 h ASP 5 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2oq3 h ASP 5 CO -0.00 0.04 -0.72 -1.22 -2.88 0.00 0.00 179.24 174.46 2oq3 n TYR 6 N -3.43 0.00 -3.81 0.28 4.01 -0.05 -4.84 117.16 109.32 2oq3 n TYR 6 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 2oq3 n TYR 6 Cb 0.15 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.41 3.35 0.00 -0.72 0.40 -1.22 0.43 117.98 117.81 2oq3 s PHE 7 Ca 0.05 -2.88 0.00 0.00 -0.60 0.00 0.00 56.93 53.50 2oq3 s PHE 7 Cb 0.11 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.59 2oq3 s PHE 7 CO 0.61 -0.81 0.75 -2.30 0.70 0.00 0.00 175.22 174.16 2oq3 n PRO 8 N 3.41 0.00 0.00 0.24 -0.02 -1.26 -4.88 135.00 132.49 2oq3 n PRO 8 Ca 0.06 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2oq3 n PRO 8 Cb 0.36 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.91 0.00 0.00 -0.52 4.07 -1.26 -4.91 120.64 116.11 2oq3 n GLU 9 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 2oq3 n GLU 9 Cb 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 31.50 2oq3 n GLU 9 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2oq3 n SER 10 N -1.43 0.00 0.00 4.31 7.64 -1.26 -3.98 113.62 118.90 2oq3 n SER 10 Ca 0.00 -0.56 0.10 0.00 1.01 0.00 0.00 58.87 59.42 2oq3 n SER 10 Cb 0.00 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.68 0.00 -4.00 6.43 7.64 -1.26 -4.70 113.62 117.05 2oq3 n SER 11 Ca 0.03 -0.86 -0.23 0.00 1.01 0.00 0.00 58.87 58.83 2oq3 n SER 11 Cb 0.01 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.00 0.93 0.05 0.44 1.01 -1.26 -0.17 121.20 120.21 2oq3 s ILE 12 Ca 0.30 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 2oq3 s ILE 12 Cb 0.14 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.78 2oq3 s ILE 12 CO 0.23 0.30 0.36 -0.94 0.00 0.00 0.00 174.94 174.89 2oq3 s SER 13 N 0.55 -0.19 -0.03 3.58 1.04 -0.57 -4.98 113.70 113.09 2oq3 s SER 13 Ca -0.10 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.22 2oq3 s SER 13 Cb -0.13 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 2oq3 s SER 13 CO 0.02 -0.67 -0.15 -0.69 0.98 0.00 0.00 173.24 172.73 2oq3 s VAL 14 N -2.71 1.27 0.03 5.02 1.01 -1.26 -1.75 120.40 122.00 2oq3 s VAL 14 Ca -0.04 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2oq3 s VAL 14 Cb -0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2oq3 s VAL 14 CO -0.04 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 174.71 2oq3 s ILE 15 N 0.01 0.62 0.09 2.22 1.01 0.07 -4.96 121.20 120.27 2oq3 s ILE 15 Ca -0.02 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 2oq3 s ILE 15 Cb -0.10 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.63 2oq3 s ILE 15 CO 0.01 -0.22 1.62 -0.74 0.00 0.00 0.00 174.94 175.62 2oq3 h HIS 16 N 4.85 0.25 -1.67 3.97 -0.00 -1.95 0.83 115.15 121.43 2oq3 h HIS 16 Ca -0.35 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.05 2oq3 h HIS 16 Cb 1.20 -0.08 -0.23 0.00 -0.00 0.00 0.00 27.41 28.30 2oq3 h HIS 16 CO 0.58 0.32 0.44 -1.54 -0.00 0.00 0.00 177.93 177.73 2oq3 s SER 17 N -5.56 -0.46 0.43 3.26 1.04 -1.26 -0.70 113.70 110.44 2oq3 s SER 17 Ca -0.14 0.61 -0.21 0.00 0.48 0.00 0.00 55.95 56.70 2oq3 s SER 17 Cb 0.07 0.53 -0.11 0.00 0.10 0.00 0.00 66.02 66.61 2oq3 s SER 17 CO 0.70 -0.35 0.94 0.00 0.98 0.00 0.00 173.24 175.52 2oq3 s ALA 18 N -0.77 3.05 0.23 5.32 0.00 -1.26 -4.97 121.76 123.36 2oq3 s ALA 18 Ca -0.02 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 2oq3 s ALA 18 Cb -0.02 -3.14 0.21 0.00 0.00 0.00 0.00 23.12 20.18 2oq3 s ALA 18 CO 0.02 0.14 1.90 -0.22 0.00 0.00 0.00 175.76 177.59 2oq3 h LYS 19 N 1.94 1.19 -2.70 0.00 3.11 -1.98 -3.47 116.57 114.66 2oq3 h LYS 19 Ca -0.49 -0.08 0.11 0.00 -2.81 0.00 0.00 60.65 57.38 2oq3 h LYS 19 Cb 1.18 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 32.13 2oq3 h LYS 19 CO 0.61 0.80 0.51 0.16 -2.81 0.00 0.00 179.45 178.71 2oq3 s ASP 20 N -6.04 0.03 0.39 4.20 -4.77 -1.26 -4.99 116.67 104.23 2oq3 s ASP 20 Ca -0.13 -0.85 0.10 0.00 -3.30 0.00 0.00 52.55 48.38 2oq3 s ASP 20 Cb 0.17 0.61 0.80 0.00 -1.09 0.00 0.00 42.92 43.40 2oq3 s ASP 20 CO 0.80 -1.21 1.91 4.11 0.70 0.00 0.00 175.17 181.48 2oq3 h TRP 21 N 2.00 0.19 -0.05 2.11 0.09 -1.90 0.12 115.95 118.52 2oq3 h TRP 21 Ca -0.29 -0.02 -0.00 0.00 0.09 0.00 0.00 58.89 58.66 2oq3 h TRP 21 Cb 1.23 -0.05 -0.00 0.00 0.08 0.00 0.00 29.16 30.41 2oq3 h TRP 21 CO 1.48 0.35 0.02 1.96 0.09 0.00 0.00 178.44 182.34 2oq3 h GLN 22 N 0.17 0.07 -0.47 0.12 4.20 -1.97 -2.93 115.11 114.30 2oq3 h GLN 22 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2oq3 h GLN 22 Cb 0.40 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2oq3 h GLN 22 CO 0.03 0.19 0.28 1.49 -0.67 0.00 0.00 178.83 180.15 2oq3 h GLU 23 N -0.07 0.63 -0.46 1.46 4.57 -1.72 -1.52 114.58 117.46 2oq3 h GLU 23 Ca 0.02 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2oq3 h GLU 23 Cb 0.15 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2oq3 h GLU 23 CO -0.00 0.44 0.15 0.00 -1.18 0.00 0.00 179.01 178.42 2oq3 h ALA 24 N 1.67 1.40 -0.12 2.92 0.00 -0.63 0.25 119.26 124.75 2oq3 h ALA 24 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2oq3 h ALA 24 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2oq3 h ALA 24 CO -0.03 0.44 -0.23 0.82 0.00 0.00 0.00 179.25 180.26 2oq3 h ILE 25 N 0.67 1.38 -0.64 0.00 2.04 -1.19 -1.80 117.51 117.96 2oq3 h ILE 25 Ca 0.16 -1.49 0.07 0.00 1.00 0.00 0.00 64.86 64.60 2oq3 h ILE 25 Cb 0.19 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 2oq3 h ILE 25 CO -0.01 0.44 0.31 -0.78 0.00 0.00 0.00 178.15 178.11 2oq3 h ASP 26 N -0.05 0.42 -0.02 1.72 3.58 -0.48 -0.10 116.42 121.48 2oq3 h ASP 26 Ca 0.01 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 2oq3 h ASP 26 Cb 0.81 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2oq3 h ASP 26 CO 0.05 0.26 -0.18 -0.26 -2.88 0.00 0.00 179.24 176.24 2oq3 h PHE 27 N 0.57 0.40 0.00 0.28 0.04 -0.57 0.29 116.94 117.95 2oq3 h PHE 27 Ca 0.30 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2oq3 h PHE 27 Cb 0.27 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2oq3 h PHE 27 CO -0.11 0.53 0.00 0.77 -0.60 0.00 0.00 178.31 178.90 2oq3 h SER 28 N 0.34 0.00 0.00 2.17 0.02 -0.13 -3.34 113.55 112.61 2oq3 h SER 28 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2oq3 h SER 28 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2oq3 h SER 28 CO 0.03 0.00 -0.77 0.23 -1.14 0.00 0.00 176.83 175.19 2oq3 n MET 29 N -3.07 1.57 -0.19 3.45 2.81 -0.65 -3.89 117.12 117.14 2oq3 n MET 29 Ca -0.02 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.89 2oq3 n MET 29 Cb 0.15 -0.88 0.28 0.00 -0.71 0.00 0.00 33.22 32.05 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 1.16 0.00 2.03 3.04 -0.59 0.22 116.25 122.11 2oq3 h VAL 30 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2oq3 h VAL 30 Cb 0.07 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.49 2oq3 h VAL 30 CO 0.00 0.17 0.00 0.28 -1.01 0.00 0.00 177.57 177.01 2oq3 h SER 31 N 0.94 0.00 0.10 3.17 0.02 -1.84 0.11 113.55 116.04 2oq3 h SER 31 Ca 0.27 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.96 2oq3 h SER 31 Cb -0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2oq3 h SER 31 CO -0.06 0.00 -1.34 -0.07 -1.14 0.00 0.00 176.83 174.22 2oq3 h LEU 32 N 0.00 0.33 -0.77 5.07 3.38 -1.36 -3.39 115.31 118.58 2oq3 h LEU 32 Ca 0.00 -0.83 0.07 0.00 0.09 0.00 0.00 57.88 57.21 2oq3 h LEU 32 Cb 0.32 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2oq3 h LEU 32 CO 0.00 1.58 0.44 0.25 0.09 0.00 0.00 178.44 180.81 2oq3 h LEU 33 N -0.39 0.66 -1.67 1.67 5.85 -0.23 -0.17 115.31 121.04 2oq3 h LEU 33 Ca -0.29 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2oq3 h LEU 33 Cb 1.69 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2oq3 h LEU 33 CO 0.04 0.41 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.65 2oq3 h ASP 34 N 0.79 0.00 -0.20 1.25 3.58 -1.01 -0.83 116.42 120.01 2oq3 h ASP 34 Ca 0.35 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.72 2oq3 h ASP 34 Cb 0.23 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 2oq3 h ASP 34 CO -0.20 0.11 -0.15 0.29 -2.88 0.00 0.00 179.24 176.42 2oq3 n LYS 35 N -3.39 1.88 -2.15 0.28 4.01 -1.10 -4.98 118.16 112.70 2oq3 n LYS 35 Ca -0.01 -3.06 -0.20 0.00 -0.51 0.00 0.00 58.31 54.54 2oq3 n LYS 35 Cb 0.30 -1.72 -0.03 0.00 -0.51 0.00 0.00 35.03 33.06 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 -1.07 -5.65 0.27 4.39 2.85 -0.32 -4.86 115.26 110.88 2oq3 n ASN 36 Ca 0.25 0.13 0.16 0.00 -0.11 0.00 0.00 54.58 55.00 2oq3 n ASN 36 Cb 0.87 -4.74 0.74 0.00 1.24 0.00 0.00 39.78 37.89 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 -4.33 1.20 -1.99 -1.25 -3.39 116.97 107.21 2oq3 h TYR 37 Ca -0.46 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.08 2oq3 h TYR 37 Cb 1.34 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.94 2oq3 h TYR 37 CO 0.54 0.08 -0.47 0.96 -0.00 0.00 0.00 178.16 179.27 2oq3 s ILE 38 N -3.90 0.00 0.22 -2.88 -4.36 -1.25 -0.81 121.20 108.23 2oq3 s ILE 38 Ca -0.01 -1.83 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2oq3 s ILE 38 Cb 0.11 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.37 2oq3 s ILE 38 CO 0.55 0.00 0.27 -0.44 0.24 0.00 0.00 174.94 175.56 2oq3 s SER 39 N -3.13 5.96 0.46 4.36 0.01 0.34 -4.66 113.70 117.03 2oq3 s SER 39 Ca 0.34 -0.05 0.12 0.00 1.31 0.00 0.00 55.95 57.67 2oq3 s SER 39 Cb 0.05 -1.66 1.05 0.00 0.21 0.00 0.00 66.02 65.66 2oq3 s SER 39 CO 0.12 -0.03 2.08 -0.33 0.41 0.00 0.00 173.24 175.49 2oq3 h GLU 40 N 1.54 0.31 -0.41 12.44 5.08 -1.94 -1.01 114.58 130.59 2oq3 h GLU 40 Ca -0.50 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.89 2oq3 h GLU 40 Cb 1.23 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2oq3 h GLU 40 CO 0.62 0.21 0.28 -0.97 -1.00 0.00 0.00 179.01 178.15 2oq3 h ASN 41 N 0.32 0.31 -0.71 1.42 -1.24 -1.94 -2.65 115.58 111.10 2oq3 h ASN 41 Ca 0.12 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 2oq3 h ASN 41 Cb 0.09 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 2oq3 h ASN 41 CO -0.03 0.21 0.43 0.22 -1.29 0.00 0.00 177.43 176.97 2oq3 h TYR 42 N 0.35 0.93 0.06 0.67 3.20 -0.96 0.88 116.97 122.10 2oq3 h TYR 42 Ca 0.18 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2oq3 h TYR 42 Cb 0.26 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 2oq3 h TYR 42 CO -0.00 0.62 -0.04 0.82 -1.64 0.00 0.00 178.16 177.92 2oq3 h ILE 43 N 0.96 0.91 0.00 1.81 5.03 -1.59 -3.06 117.51 121.58 2oq3 h ILE 43 Ca 0.25 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.92 2oq3 h ILE 43 Cb -0.04 0.91 -0.01 0.00 -3.03 0.00 0.00 36.82 34.64 2oq3 h ILE 43 CO -0.05 0.00 -0.35 -0.61 -0.68 0.00 0.00 178.15 176.47 2oq3 h GLN 44 N -0.11 0.00 -0.92 2.37 5.75 -1.25 -2.19 115.11 118.76 2oq3 h GLN 44 Ca -0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2oq3 h GLN 44 Cb 0.09 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.58 2oq3 h GLN 44 CO 0.00 0.35 0.58 0.00 -2.65 0.00 0.00 178.83 177.11 2oq3 h ALA 45 N 1.65 1.28 -0.02 3.38 0.00 -0.75 0.27 119.26 125.08 2oq3 h ALA 45 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2oq3 h ALA 45 Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2oq3 h ALA 45 CO 0.04 0.35 -0.05 0.82 0.00 0.00 0.00 179.25 180.41 2oq3 h ILE 46 N 1.06 1.49 -0.89 0.00 2.04 -1.40 -3.27 117.51 116.53 2oq3 h ILE 46 Ca 0.40 -1.51 0.04 0.00 1.00 0.00 0.00 64.86 64.79 2oq3 h ILE 46 Cb 0.17 2.46 -0.06 0.00 -0.74 0.00 0.00 36.82 38.66 2oq3 h ILE 46 CO -0.17 0.40 0.58 0.11 0.00 0.00 0.00 178.15 179.06 2oq3 h LYS 47 N -0.54 1.07 0.24 2.37 1.57 -1.08 -1.47 116.57 118.74 2oq3 h LYS 47 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2oq3 h LYS 47 Cb 0.68 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2oq3 h LYS 47 CO 0.01 0.71 -0.14 0.22 -0.57 0.00 0.00 179.45 179.68 2oq3 h ASP 48 N 1.10 -0.35 -0.67 0.86 3.58 -1.02 0.17 116.42 120.10 2oq3 h ASP 48 Ca 0.36 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.77 2oq3 h ASP 48 Cb 0.04 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 2oq3 h ASP 48 CO -0.13 -0.23 0.16 0.28 -2.88 0.00 0.00 179.24 176.44 2oq3 h SER 49 N -0.36 1.01 -0.96 2.28 0.02 -1.59 -0.25 113.55 113.70 2oq3 h SER 49 Ca -0.03 -0.24 0.09 0.00 -0.84 0.00 0.00 61.79 60.78 2oq3 h SER 49 Cb 0.30 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 2oq3 h SER 49 CO 0.03 0.99 0.62 0.74 -1.14 0.00 0.00 176.83 178.06 2oq3 h THR 50 N 1.00 0.99 0.07 -2.27 2.02 -0.72 0.52 112.91 114.53 2oq3 h THR 50 Ca 0.21 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 2oq3 h THR 50 Cb 0.37 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2oq3 h THR 50 CO 0.00 0.18 -0.59 0.40 0.37 0.00 0.00 175.52 175.89 2oq3 h ILE 51 N 1.01 1.53 -0.02 3.11 2.04 -0.73 -2.90 117.51 121.56 2oq3 h ILE 51 Ca 0.44 -2.42 -0.17 0.00 1.00 0.00 0.00 64.86 63.71 2oq3 h ILE 51 Cb 0.36 3.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 2oq3 h ILE 51 CO -0.20 0.64 -0.75 0.78 0.00 0.00 0.00 178.15 178.63 2oq3 h ASN 52 N -0.66 0.19 0.00 1.72 2.35 -0.80 -3.40 115.58 114.97 2oq3 h ASN 52 Ca -0.12 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2oq3 h ASN 52 Cb 1.38 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.69 2oq3 h ASN 52 CO 0.05 0.86 -0.67 -3.20 -1.65 0.00 0.00 177.43 172.83 2oq3 n ASN 53 N -3.73 1.54 0.00 5.81 2.85 0.06 -5.07 115.26 116.71 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 0.72 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.74 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 2.69 3.89 3.74 8.20 0.00 -0.49 -4.89 105.19 118.34 2oq3 n GLY 54 Ca 0.00 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.65 2.93 -0.01 1.61 0.04 -1.25 -3.59 135.00 132.09 2oq3 s PRO 55 Ca 0.00 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2oq3 s PRO 55 Cb 0.00 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2oq3 s PRO 55 CO 0.00 -1.32 0.74 2.48 0.04 0.00 0.00 177.00 178.94 2oq3 n TYR 56 N -1.37 0.00 -3.42 0.56 4.11 -1.26 -4.82 117.16 110.97 2oq3 n TYR 56 Ca 0.12 -0.16 -0.26 0.00 -0.00 0.00 0.00 57.90 57.60 2oq3 n TYR 56 Cb 0.46 -0.03 -0.09 0.00 -0.00 0.00 0.00 39.34 39.68 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 -0.19 0.54 -5.28 -3.48 4.01 -1.26 -5.08 117.16 106.43 2oq3 n TYR 57 Ca 0.01 -3.66 -0.31 0.00 -0.16 0.00 0.00 57.90 53.77 2oq3 n TYR 57 Cb 0.51 -0.18 -0.16 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.91 2.11 0.00 -0.72 -1.09 -1.26 -0.69 121.20 118.63 2oq3 s ILE 58 Ca 0.33 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 2oq3 s ILE 58 Cb 0.08 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.22 2oq3 s ILE 58 CO -0.14 0.58 0.00 0.18 -1.23 0.00 0.00 174.94 174.33 2oq3 n LEU 59 N 2.54 0.00 -3.55 2.97 4.32 -0.75 -4.96 117.00 117.57 2oq3 n LEU 59 Ca -0.16 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.72 2oq3 n LEU 59 Cb 0.51 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 2oq3 n LEU 59 CO 0.24 0.00 0.36 0.00 -1.22 0.00 0.00 177.39 176.76 2oq3 s ALA 60 N -1.20 -1.37 -0.28 -1.18 0.00 -1.18 -4.96 121.76 111.59 2oq3 s ALA 60 Ca 0.00 0.22 -0.39 0.00 0.00 0.00 0.00 51.96 51.79 2oq3 s ALA 60 Cb 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 23.12 23.82 2oq3 s ALA 60 CO 0.00 -0.79 1.83 -2.30 0.00 0.00 0.00 175.76 174.50 2oq3 n PRO 61 N -0.36 1.18 -0.75 0.00 -0.02 -1.26 -1.15 135.00 132.64 2oq3 n PRO 61 Ca -0.14 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2oq3 n PRO 61 Cb 0.64 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 4.65 0.80 2.91 -1.23 0.00 -1.26 -5.00 105.19 106.05 2oq3 n GLY 62 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 2oq3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 63 N -3.02 0.77 0.30 1.61 1.01 -0.30 -1.09 120.40 119.68 2oq3 s VAL 63 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2oq3 s VAL 63 Cb 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2oq3 s VAL 63 CO 0.00 0.29 0.03 0.00 0.00 0.00 0.00 175.10 175.42 2oq3 s ALA 64 N 1.18 2.28 -0.40 5.51 0.00 0.09 -1.82 121.76 128.61 2oq3 s ALA 64 Ca -0.06 -1.99 0.11 0.00 0.00 0.00 0.00 51.96 50.02 2oq3 s ALA 64 Cb -0.14 0.55 0.34 0.00 0.00 0.00 0.00 23.12 23.87 2oq3 s ALA 64 CO -0.02 -0.26 0.75 -0.12 0.00 0.00 0.00 175.76 176.12 2oq3 n MET 65 N -0.63 1.26 -1.68 0.00 0.00 0.13 -1.84 117.12 114.37 2oq3 n MET 65 Ca -0.03 -3.57 -0.45 0.00 0.00 0.00 0.00 57.70 53.64 2oq3 n MET 65 Cb 0.66 -1.76 -0.04 0.00 0.00 0.00 0.00 33.22 32.07 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 0.26 2.45 -3.59 2.12 -0.02 -1.11 -4.78 135.00 130.32 2oq3 n PRO 66 Ca 0.26 0.89 -0.04 0.00 -2.02 0.00 0.00 63.50 62.59 2oq3 n PRO 66 Cb 0.62 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 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 3.11 -0.13 0.29 6.00 5.65 -1.26 -3.92 115.29 125.02 2oq3 s HIS 67 Ca 0.86 0.07 0.03 0.00 0.25 0.00 0.00 55.06 56.27 2oq3 s HIS 67 Cb -0.59 0.52 -0.04 0.00 -1.18 0.00 0.00 32.58 31.29 2oq3 s HIS 67 CO 0.43 -0.25 0.16 0.00 -0.65 0.00 0.00 174.74 174.43 2oq3 s ALA 68 N -2.48 1.83 0.78 1.58 0.00 -1.26 -4.86 121.76 117.34 2oq3 s ALA 68 Ca 0.10 -1.78 -0.14 0.00 0.00 0.00 0.00 51.96 50.13 2oq3 s ALA 68 Cb -0.00 1.19 0.06 0.00 0.00 0.00 0.00 23.12 24.36 2oq3 s ALA 68 CO -0.05 -0.52 1.15 0.54 0.00 0.00 0.00 175.76 176.88 2oq3 n ARG 69 N -0.53 0.35 -0.35 0.00 1.74 -1.26 -4.90 116.66 111.70 2oq3 n ARG 69 Ca 0.01 0.19 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 2oq3 n ARG 69 Cb 0.65 -2.39 0.18 0.00 -1.02 0.00 0.00 32.46 29.87 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 -0.61 1.16 0.00 5.56 0.13 -1.94 -1.53 132.00 134.77 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 1.31 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2oq3 h PRO 70 CO 0.47 0.76 0.00 0.39 -0.23 0.00 0.00 178.00 179.39 2oq3 n GLU 71 N -4.46 0.10 0.00 0.86 -0.58 -1.26 -0.94 120.64 114.36 2oq3 n GLU 71 Ca 0.14 0.49 0.13 0.00 -0.42 0.00 0.00 57.16 57.50 2oq3 n GLU 71 Cb 0.14 -1.76 0.72 0.00 -0.57 0.00 0.00 31.44 29.97 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2oq3 n GLY 73 N 0.83 1.29 3.76 0.00 0.00 -0.83 -2.70 105.19 107.55 2oq3 n GLY 73 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.32 3.01 0.00 4.61 0.00 -0.12 -0.51 121.76 127.44 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 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2oq3 s ALA 74 CO 0.00 -0.93 0.00 1.28 0.00 0.00 0.00 175.76 176.11 2oq3 n LEU 75 N -0.48 0.08 -3.81 0.00 4.77 0.01 -4.80 117.00 112.77 2oq3 n LEU 75 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2oq3 n LEU 75 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2oq3 n LEU 75 CO 0.52 0.01 -0.05 -0.54 -1.33 0.00 0.00 177.39 176.00 2oq3 s LYS 76 N -1.48 0.76 -0.06 3.23 1.02 -0.35 -4.72 119.74 118.14 2oq3 s LYS 76 Ca 0.00 -0.63 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 2oq3 s LYS 76 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 2oq3 s LYS 76 CO 0.00 -0.23 0.67 0.99 -0.92 0.00 0.00 175.35 175.85 2oq3 s THR 77 N -2.75 5.04 -0.02 2.17 2.01 -1.26 -4.08 115.64 116.75 2oq3 s THR 77 Ca -0.04 1.37 -0.23 0.00 0.31 0.00 0.00 61.69 63.11 2oq3 s THR 77 Cb -0.00 -4.01 0.08 0.00 0.01 0.00 0.00 72.50 68.58 2oq3 s THR 77 CO -0.05 0.28 1.03 0.61 -0.69 0.00 0.00 174.62 175.81 2oq3 n GLY 78 N 3.03 0.29 3.53 4.40 0.00 -0.07 -4.97 105.19 111.41 2oq3 n GLY 78 Ca -0.03 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 1.60 0.22 1.61 -1.94 0.17 -0.79 119.30 118.15 2oq3 s MET 79 Ca 0.24 -1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 52.70 2oq3 s MET 79 Cb -0.01 0.45 -0.00 0.00 2.01 0.00 0.00 34.83 37.28 2oq3 s MET 79 CO -0.01 -0.65 0.43 -1.12 -0.01 0.00 0.00 175.02 173.66 2oq3 s SER 80 N -3.08 -0.08 -0.30 3.03 0.01 -0.49 -4.38 113.70 108.41 2oq3 s SER 80 Ca 0.26 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.65 2oq3 s SER 80 Cb 0.00 0.54 0.13 0.00 0.21 0.00 0.00 66.02 66.90 2oq3 s SER 80 CO 0.12 -1.06 0.25 -0.22 0.41 0.00 0.00 173.24 172.74 2oq3 s LEU 81 N -2.99 0.04 -0.04 2.44 2.96 0.76 -0.47 118.68 121.38 2oq3 s LEU 81 Ca 0.19 -1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.06 2oq3 s LEU 81 Cb 0.00 0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.89 2oq3 s LEU 81 CO 0.05 -0.39 0.08 -0.89 -1.32 0.00 0.00 176.35 173.88 2oq3 s THR 82 N 2.17 4.80 -0.03 3.68 2.01 -0.15 -1.51 115.64 126.61 2oq3 s THR 82 Ca 0.10 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2oq3 s THR 82 Cb -0.15 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.22 2oq3 s THR 82 CO -0.31 0.44 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.78 2oq3 s LEU 83 N -1.46 1.65 -0.15 4.42 0.20 -0.72 -1.43 118.68 121.19 2oq3 s LEU 83 Ca 0.20 -0.14 -0.07 0.00 0.69 0.00 0.00 54.13 54.81 2oq3 s LEU 83 Cb -0.12 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 2oq3 s LEU 83 CO 0.10 0.02 0.07 -0.76 -0.29 0.00 0.00 176.35 175.49 2oq3 s LEU 84 N 0.41 3.92 0.38 -0.68 2.01 0.30 -0.75 118.68 124.27 2oq3 s LEU 84 Ca -0.06 0.18 0.14 0.00 0.01 0.00 0.00 54.13 54.40 2oq3 s LEU 84 Cb -0.10 -1.97 0.74 0.00 0.01 0.00 0.00 46.19 44.88 2oq3 s LEU 84 CO 0.00 0.26 1.83 -0.33 1.01 0.00 0.00 176.35 179.12 2oq3 h GLU 85 N 6.06 0.00 -2.76 1.70 5.08 -0.74 -3.34 114.58 120.58 2oq3 h GLU 85 Ca -0.43 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.32 2oq3 h GLU 85 Cb 1.18 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 2oq3 h GLU 85 CO 0.66 0.37 -0.78 -0.65 -1.00 0.00 0.00 179.01 177.60 2oq3 s GLN 86 N -4.16 1.53 0.87 2.33 -1.52 0.12 -5.02 119.66 113.81 2oq3 s GLN 86 Ca -0.03 -2.50 -0.15 0.00 -1.95 0.00 0.00 55.36 50.73 2oq3 s GLN 86 Cb 0.14 -2.32 -0.06 0.00 -0.22 0.00 0.00 33.01 30.55 2oq3 s GLN 86 CO 0.72 -1.30 -0.01 0.41 -0.25 0.00 0.00 175.29 174.86 2oq3 n GLY 87 N 2.72 -2.87 3.32 3.09 0.00 -1.26 -4.18 105.19 106.02 2oq3 n GLY 87 Ca 0.21 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2oq3 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 88 N -2.12 1.86 -0.45 1.61 1.01 -0.88 -4.77 120.40 116.66 2oq3 s VAL 88 Ca 0.53 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 2oq3 s VAL 88 Cb -0.26 -1.70 0.12 0.00 0.00 0.00 0.00 36.38 34.54 2oq3 s VAL 88 CO 0.70 -0.06 0.26 -0.47 0.00 0.00 0.00 175.10 175.54 2oq3 s TYR 89 N -1.25 3.54 0.35 5.22 5.04 -1.26 -0.61 117.35 128.39 2oq3 s TYR 89 Ca 0.09 -2.40 -0.26 0.00 -2.44 0.00 0.00 57.07 52.06 2oq3 s TYR 89 Cb -0.09 -3.26 -0.12 0.00 0.35 0.00 0.00 41.96 38.83 2oq3 s TYR 89 CO 0.05 -0.96 1.03 1.19 -1.34 0.00 0.00 175.55 175.52 2oq3 n PHE 90 N 4.45 1.29 -1.23 4.97 3.72 -1.26 -4.85 117.46 124.56 2oq3 n PHE 90 Ca -0.01 0.62 -0.40 0.00 -0.05 0.00 0.00 57.45 57.61 2oq3 n PHE 90 Cb 0.41 -2.25 -0.04 0.00 -0.94 0.00 0.00 39.48 36.66 2oq3 n PHE 90 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2oq3 n PRO 91 N 0.48 1.96 0.00 -1.08 -0.04 -1.26 -2.82 135.00 132.24 2oq3 n PRO 91 Ca 0.09 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 2oq3 n PRO 91 Cb 0.36 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 2oq3 n PRO 91 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oq3 n GLY 92 N 4.29 0.00 2.33 0.55 0.00 -1.26 -4.34 105.19 106.76 2oq3 n GLY 92 Ca 0.51 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 2oq3 n GLY 92 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2oq3 n ASN 93 N 0.00 -1.38 -0.03 1.61 2.85 -1.13 -4.80 115.26 112.38 2oq3 n ASN 93 Ca 0.00 -1.01 -0.05 0.00 -0.11 0.00 0.00 54.58 53.41 2oq3 n ASN 93 Cb 0.00 -0.66 -0.13 0.00 1.24 0.00 0.00 39.78 40.23 2oq3 n ASN 93 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2oq3 n ASP 94 N -4.10 0.55 -3.96 1.20 2.03 -1.26 -5.05 116.55 105.97 2oq3 n ASP 94 Ca 0.10 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.57 2oq3 n ASP 94 Cb 0.38 0.47 -0.06 0.00 -0.72 0.00 0.00 41.12 41.19 2oq3 n ASP 94 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2oq3 s GLU 95 N -2.73 1.38 0.48 -0.67 -1.05 -1.26 -5.16 118.70 109.69 2oq3 s GLU 95 Ca -0.06 -1.19 -0.24 0.00 -0.15 0.00 0.00 54.97 53.33 2oq3 s GLU 95 Cb 0.08 0.44 -0.07 0.00 -0.44 0.00 0.00 34.13 34.13 2oq3 s GLU 95 CO 0.83 -0.55 1.42 -2.14 0.95 0.00 0.00 175.26 175.76 2oq3 s PRO 96 N -3.99 3.53 -0.11 -4.83 0.02 -1.26 -4.74 135.00 123.62 2oq3 s PRO 96 Ca 0.20 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.43 2oq3 s PRO 96 Cb 0.01 -2.55 -0.04 0.00 0.02 0.00 0.00 34.50 31.94 2oq3 s PRO 96 CO 0.05 -0.93 0.45 0.42 -0.33 0.00 0.00 177.00 176.65 2oq3 s ILE 97 N -1.22 5.17 -0.09 2.83 -1.09 0.22 -4.23 121.20 122.78 2oq3 s ILE 97 Ca 0.64 0.90 0.21 0.00 -2.23 0.00 0.00 60.65 60.17 2oq3 s ILE 97 Cb -0.43 -3.78 -0.31 0.00 -1.58 0.00 0.00 42.46 36.35 2oq3 s ILE 97 CO 0.54 0.37 0.48 0.29 -1.23 0.00 0.00 174.94 175.39 2oq3 n LYS 98 N 3.40 0.61 -4.50 2.79 5.02 -0.25 -2.08 118.16 123.16 2oq3 n LYS 98 Ca -0.08 -0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 55.81 2oq3 n LYS 98 Cb 0.52 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 2oq3 n LYS 98 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oq3 s LEU 99 N -4.34 1.76 -0.17 -0.35 1.43 -0.87 -0.54 118.68 115.60 2oq3 s LEU 99 Ca -0.07 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2oq3 s LEU 99 Cb 0.13 -0.68 0.06 0.00 0.03 0.00 0.00 46.19 45.74 2oq3 s LEU 99 CO 0.86 0.07 0.09 -0.76 0.23 0.00 0.00 176.35 176.84 2oq3 s LEU 100 N 0.28 0.37 -0.27 1.79 1.02 -0.52 -0.73 118.68 120.62 2oq3 s LEU 100 Ca -0.06 -0.63 -0.18 0.00 0.02 0.00 0.00 54.13 53.28 2oq3 s LEU 100 Cb -0.11 -0.25 -0.02 0.00 0.02 0.00 0.00 46.19 45.83 2oq3 s LEU 100 CO 0.01 -0.35 0.52 -0.63 0.02 0.00 0.00 176.35 175.93 2oq3 s ILE 101 N 2.13 5.05 0.48 -0.59 1.09 -0.77 -0.98 121.20 127.62 2oq3 s ILE 101 Ca 0.02 0.82 -0.18 0.00 -1.10 0.00 0.00 60.65 60.21 2oq3 s ILE 101 Cb -0.16 -3.86 -0.09 0.00 -1.06 0.00 0.00 42.46 37.30 2oq3 s ILE 101 CO -0.10 0.03 0.96 -0.83 -0.10 0.00 0.00 174.94 174.91 2oq3 s GLY 102 N 1.58 2.16 -0.11 6.18 0.00 0.38 -2.73 107.32 114.78 2oq3 s GLY 102 Ca 0.21 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 45.01 2oq3 s GLY 102 CO 0.10 0.50 0.40 -2.27 0.00 0.00 0.00 173.10 171.83 2oq3 s LEU 103 N -3.77 0.49 -0.01 0.66 0.20 -1.25 -1.40 118.68 113.60 2oq3 s LEU 103 Ca 0.59 0.60 -0.04 0.00 0.69 0.00 0.00 54.13 55.98 2oq3 s LEU 103 Cb -0.10 1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 47.10 2oq3 s LEU 103 CO 0.25 -0.26 0.08 -0.94 -0.29 0.00 0.00 176.35 175.19 2oq3 s SER 104 N -0.32 0.04 -0.03 3.68 1.04 0.03 -4.48 113.70 113.66 2oq3 s SER 104 Ca -0.05 -0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.18 2oq3 s SER 104 Cb -0.03 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.27 2oq3 s SER 104 CO 0.02 -0.23 0.16 0.00 0.98 0.00 0.00 173.24 174.17 2oq3 s ALA 105 N -0.88 -0.38 -0.82 5.32 0.00 -1.26 -0.89 121.76 122.85 2oq3 s ALA 105 Ca -0.10 0.13 0.27 0.00 0.00 0.00 0.00 51.96 52.26 2oq3 s ALA 105 Cb -0.06 -0.05 0.96 0.00 0.00 0.00 0.00 23.12 23.97 2oq3 s ALA 105 CO 0.00 -0.16 1.82 0.00 0.00 0.00 0.00 175.76 177.43 2oq3 n ALA 106 N 2.06 2.28 -2.80 0.00 0.00 -1.26 -4.53 120.51 116.26 2oq3 n ALA 106 Ca -0.19 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 2oq3 n ALA 106 Cb 0.57 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.99 0.73 0.35 0.00 2.15 -1.26 -4.96 116.67 109.68 2oq3 s ASP 107 Ca 0.12 -0.60 0.03 0.00 0.43 0.00 0.00 52.55 52.53 2oq3 s ASP 107 Cb 0.14 0.06 0.65 0.00 -0.30 0.00 0.00 42.92 43.48 2oq3 s ASP 107 CO 0.57 -0.26 1.97 0.00 -0.17 0.00 0.00 175.17 177.27 2oq3 h ALA 108 N 4.35 1.50 -0.00 3.66 0.00 -1.99 -0.50 119.26 126.27 2oq3 h ALA 108 Ca -0.35 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2oq3 h ALA 108 Cb 1.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2oq3 h ALA 108 CO 0.44 0.41 -0.62 0.22 0.00 0.00 0.00 179.25 179.70 2oq3 h ASP 109 N 0.71 0.00 -0.16 0.00 3.58 -1.98 -0.77 116.42 117.80 2oq3 h ASP 109 Ca 0.18 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.54 2oq3 h ASP 109 Cb 0.05 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2oq3 h ASP 109 CO -0.03 0.62 -0.20 0.28 -2.88 0.00 0.00 179.24 177.03 2oq3 h SER 110 N 0.00 0.59 -0.44 2.28 0.02 -1.72 -0.01 113.55 114.27 2oq3 h SER 110 Ca -0.01 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2oq3 h SER 110 Cb 1.09 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2oq3 h SER 110 CO 0.08 0.79 0.22 0.45 -1.14 0.00 0.00 176.83 177.23 2oq3 h HIS 111 N 0.53 0.62 -0.02 3.45 3.86 -0.56 -1.33 115.15 121.69 2oq3 h HIS 111 Ca 0.08 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2oq3 h HIS 111 Cb 0.64 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 2oq3 h HIS 111 CO 0.03 0.50 -0.14 0.82 0.86 0.00 0.00 177.93 179.99 2oq3 h ILE 112 N 0.56 0.65 -0.98 2.45 1.08 -0.79 0.61 117.51 121.09 2oq3 h ILE 112 Ca 0.15 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.64 2oq3 h ILE 112 Cb 0.10 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 2oq3 h ILE 112 CO -0.02 0.00 0.65 1.23 -0.69 0.00 0.00 178.15 179.32 2oq3 h GLY 113 N -0.23 1.40 0.77 5.37 0.00 -0.84 0.73 103.07 110.28 2oq3 h GLY 113 Ca 0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2oq3 h GLY 113 CO -0.15 0.46 -0.15 0.00 0.00 0.00 0.00 176.54 176.70 2oq3 h ALA 114 N 1.41 0.24 -0.44 3.60 0.00 -0.92 -2.49 119.26 120.66 2oq3 h ALA 114 Ca 0.37 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2oq3 h ALA 114 Cb -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2oq3 h ALA 114 CO -0.10 0.13 0.23 0.82 0.00 0.00 0.00 179.25 180.33 2oq3 h ILE 115 N 0.04 0.99 0.00 0.00 1.08 -0.51 0.23 117.51 119.34 2oq3 h ILE 115 Ca 0.03 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2oq3 h ILE 115 Cb 0.68 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2oq3 h ILE 115 CO 0.04 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 2oq3 n GLN 116 N -4.89 0.08 -0.10 2.37 1.13 0.22 -0.62 117.38 115.57 2oq3 n GLN 116 Ca 0.03 0.37 -0.24 0.00 -1.94 0.00 0.00 57.00 55.22 2oq3 n GLN 116 Cb 0.10 -1.67 -0.11 0.00 0.11 0.00 0.00 30.24 28.67 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 -1.62 0.91 0.19 -1.58 0.00 -0.61 -4.29 120.51 113.50 2oq3 n ALA 117 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 53.44 52.84 2oq3 n ALA 117 Cb 0.16 -0.40 0.38 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.85 0.00 -2.73 0.00 8.10 -0.62 -1.58 115.31 117.63 2oq3 h LEU 118 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.54 2oq3 h LEU 118 Cb 1.48 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.70 2oq3 h LEU 118 CO -0.23 0.37 -0.00 0.28 -4.11 0.00 0.00 178.44 174.75 2oq3 h SER 119 N 0.00 0.00 0.52 0.17 0.02 -1.07 0.26 113.55 113.45 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 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2oq3 h SER 119 CO 0.05 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.12 2oq3 n GLU 120 N -3.11 0.17 -0.01 3.45 1.02 -0.60 -2.21 120.64 119.35 2oq3 n GLU 120 Ca -0.02 0.48 -0.04 0.00 -0.02 0.00 0.00 57.16 57.55 2oq3 n GLU 120 Cb 0.11 -1.88 -0.01 0.00 -0.02 0.00 0.00 31.44 29.64 2oq3 n GLU 120 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2oq3 n LEU 121 N -2.21 1.43 -0.23 -4.62 4.77 0.62 -4.61 117.00 112.15 2oq3 n LEU 121 Ca 0.01 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.25 2oq3 n LEU 121 Cb 0.17 -0.50 0.29 0.00 -2.33 0.00 0.00 43.42 41.06 2oq3 n LEU 121 CO 0.17 -0.52 1.23 -0.07 -1.33 0.00 0.00 177.39 176.87 2oq3 h LEU 122 N -0.42 0.78 -3.78 2.23 -0.00 -0.90 -2.76 115.31 110.47 2oq3 h LEU 122 Ca -0.01 -0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.59 2oq3 h LEU 122 Cb 0.46 -0.17 -0.16 0.00 -0.00 0.00 0.00 40.66 40.78 2oq3 h LEU 122 CO -0.01 0.52 0.34 0.00 -0.00 0.00 0.00 178.44 179.29 2oq3 s GLU 124 N -3.06 0.62 0.56 0.00 0.41 -1.04 -4.98 118.70 111.20 2oq3 s GLU 124 Ca 0.55 -1.01 0.26 0.00 -0.41 0.00 0.00 54.97 54.36 2oq3 s GLU 124 Cb 0.45 -1.79 1.54 0.00 -1.78 0.00 0.00 34.13 32.55 2oq3 s GLU 124 CO 0.13 -1.01 2.09 1.05 -0.49 0.00 0.00 175.26 177.03 2oq3 h GLU 125 N 8.05 0.00 -0.52 1.61 4.11 -1.85 0.20 114.58 126.18 2oq3 h GLU 125 Ca -0.14 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.25 2oq3 h GLU 125 Cb 1.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2oq3 h GLU 125 CO 0.46 0.00 0.16 0.93 0.07 0.00 0.00 179.01 180.63 2oq3 h GLU 126 N 0.00 0.81 -0.24 1.06 5.08 -1.95 -2.50 114.58 116.84 2oq3 h GLU 126 Ca 0.10 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2oq3 h GLU 126 Cb 0.49 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2oq3 h GLU 126 CO -0.00 0.74 -0.34 0.82 -1.00 0.00 0.00 179.01 179.23 2oq3 h ILE 127 N 0.71 1.31 -0.98 3.13 5.03 -1.32 -3.23 117.51 122.17 2oq3 h ILE 127 Ca 0.17 -1.54 0.14 0.00 -0.12 0.00 0.00 64.86 63.51 2oq3 h ILE 127 Cb 0.27 1.72 -0.09 0.00 -3.03 0.00 0.00 36.82 35.70 2oq3 h ILE 127 CO -0.01 0.48 0.60 -0.07 -0.68 0.00 0.00 178.15 178.48 2oq3 h LEU 128 N 0.37 0.84 -0.62 1.44 3.38 -0.77 0.93 115.31 120.89 2oq3 h LEU 128 Ca 0.03 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2oq3 h LEU 128 Cb 0.92 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2oq3 h LEU 128 CO 0.08 0.41 -0.58 1.05 0.09 0.00 0.00 178.44 179.49 2oq3 h GLU 129 N 0.89 0.35 -0.09 1.13 4.11 -1.53 0.36 114.58 119.81 2oq3 h GLU 129 Ca 0.51 -0.23 -0.16 0.00 0.07 0.00 0.00 59.36 59.55 2oq3 h GLU 129 Cb 0.60 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2oq3 h GLU 129 CO -0.30 0.83 -0.63 1.96 0.07 0.00 0.00 179.01 180.94 2oq3 h GLN 130 N 0.27 0.32 0.28 1.06 4.20 -0.98 -0.89 115.11 119.36 2oq3 h GLN 130 Ca -0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 2oq3 h GLN 130 Cb 1.09 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2oq3 h GLN 130 CO 0.10 0.85 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.90 2oq3 h LEU 131 N 0.23 -0.31 -1.98 1.46 3.38 -0.83 -3.17 115.31 114.09 2oq3 h LEU 131 Ca -0.01 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2oq3 h LEU 131 Cb 1.16 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2oq3 h LEU 131 CO 0.10 0.02 0.31 -0.07 0.09 0.00 0.00 178.44 178.90 2oq3 h LEU 132 N -0.68 0.02 -1.25 1.67 3.38 -0.63 0.04 115.31 117.86 2oq3 h LEU 132 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2oq3 h LEU 132 Cb 0.47 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2oq3 h LEU 132 CO 0.06 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.95 2oq3 n THR 133 N -4.41 0.17 -1.81 0.22 -2.24 -0.36 -4.88 114.28 100.96 2oq3 n THR 133 Ca 0.07 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 61.09 2oq3 n THR 133 Cb 0.50 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.83 2.28 0.28 6.98 0.00 -0.00 -4.85 121.76 124.62 2oq3 s ALA 134 Ca 0.34 0.03 0.20 0.00 0.00 0.00 0.00 51.96 52.53 2oq3 s ALA 134 Cb 0.19 -4.20 0.90 0.00 0.00 0.00 0.00 23.12 20.01 2oq3 s ALA 134 CO 0.29 -3.56 1.85 0.77 0.00 0.00 0.00 175.76 175.11 2oq3 h SER 135 N 15.83 0.00 -5.13 0.00 0.02 -1.89 -3.46 113.55 118.92 2oq3 h SER 135 Ca -0.30 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.57 2oq3 h SER 135 Cb 1.21 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 2oq3 h SER 135 CO 1.11 0.30 -0.32 -0.44 -1.14 0.00 0.00 176.83 176.34 2oq3 s SER 136 N -6.47 0.04 0.49 3.07 0.01 -1.26 -5.04 113.70 104.54 2oq3 s SER 136 Ca -0.01 -0.55 0.22 0.00 1.31 0.00 0.00 55.95 56.91 2oq3 s SER 136 Cb 0.12 0.36 1.26 0.00 0.21 0.00 0.00 66.02 67.98 2oq3 s SER 136 CO 0.67 -0.73 1.96 -0.33 0.41 0.00 0.00 173.24 175.22 2oq3 h GLU 137 N 2.77 0.16 -0.67 12.44 3.07 -1.90 -2.34 114.58 128.11 2oq3 h GLU 137 Ca -0.34 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.62 2oq3 h GLU 137 Cb 1.21 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 2oq3 h GLU 137 CO 0.54 0.11 0.45 0.87 -1.40 0.00 0.00 179.01 179.57 2oq3 h LYS 138 N 0.16 0.48 0.00 2.33 1.79 -1.97 -0.00 116.57 119.35 2oq3 h LYS 138 Ca 0.30 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.60 2oq3 h LYS 138 Cb 0.97 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.49 2oq3 h LYS 138 CO -0.05 0.31 -0.73 0.37 -1.08 0.00 0.00 179.45 178.28 2oq3 h GLN 139 N 0.49 0.00 -0.03 3.15 5.75 -1.82 0.20 115.11 122.84 2oq3 h GLN 139 Ca 0.31 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.79 2oq3 h GLN 139 Cb 0.56 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 2oq3 h GLN 139 CO -0.10 0.62 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.57 2oq3 h LEU 140 N 0.00 0.11 -1.15 -2.39 3.38 -1.26 -2.61 115.31 111.39 2oq3 h LEU 140 Ca -0.02 -0.55 0.12 0.00 0.09 0.00 0.00 57.88 57.52 2oq3 h LEU 140 Cb 1.51 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.16 2oq3 h LEU 140 CO 0.08 0.64 0.60 0.00 0.09 0.00 0.00 178.44 179.85 2oq3 h ALA 141 N 0.47 1.65 -0.26 1.53 0.00 -1.09 -1.24 119.26 120.33 2oq3 h ALA 141 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2oq3 h ALA 141 Cb 0.62 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2oq3 h ALA 141 CO 0.01 0.12 0.14 0.22 0.00 0.00 0.00 179.25 179.75 2oq3 h ASP 142 N 0.87 0.23 -0.36 0.00 3.58 -0.87 0.36 116.42 120.23 2oq3 h ASP 142 Ca 0.46 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.83 2oq3 h ASP 142 Cb 0.54 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2oq3 h ASP 142 CO -0.22 0.17 -0.07 0.40 -2.88 0.00 0.00 179.24 176.64 2oq3 h ILE 143 N 0.30 1.25 0.18 2.25 2.04 -0.98 -1.15 117.51 121.40 2oq3 h ILE 143 Ca 0.10 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2oq3 h ILE 143 Cb 0.01 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2oq3 h ILE 143 CO -0.06 0.38 -0.20 0.40 0.00 0.00 0.00 178.15 178.67 2oq3 h ILE 144 N 0.71 0.56 0.00 -0.67 1.08 -0.97 -3.15 117.51 115.06 2oq3 h ILE 144 Ca 0.13 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2oq3 h ILE 144 Cb 0.53 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 2oq3 h ILE 144 CO 0.03 0.00 -0.19 0.77 -0.69 0.00 0.00 178.15 178.07 2oq3 h SER 145 N -0.42 0.00 -0.13 1.72 4.64 -0.03 -1.50 113.55 117.83 2oq3 h SER 145 Ca 0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2oq3 h SER 145 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2oq3 h SER 145 CO -0.06 0.19 0.13 -0.09 -0.87 0.00 0.00 176.83 176.13 2oq3 h ARG 146 N 0.00 0.00 -0.01 4.77 2.43 -1.20 -3.46 114.38 116.91 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 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2oq3 h ARG 146 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89