#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oq3 n ARG 2 N 0.00 2.69 -0.09 2.12 3.00 -1.26 -4.88 116.66 118.24 2oq3 n ARG 2 Ca 0.00 0.99 -0.11 0.00 -0.01 0.00 0.00 57.85 58.71 2oq3 n ARG 2 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 32.46 29.51 2oq3 n ARG 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2oq3 h LEU 3 N 9.87 0.48 -1.99 0.55 -0.00 -1.16 -3.24 115.31 119.82 2oq3 h LEU 3 Ca -0.49 -0.34 0.17 0.00 -0.00 0.00 0.00 57.88 57.22 2oq3 h LEU 3 Cb 1.24 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 2oq3 h LEU 3 CO 0.94 0.71 0.48 0.28 -0.00 0.00 0.00 178.44 180.85 2oq3 h SER 4 N 0.25 0.00 -0.14 -0.43 0.02 -1.73 -1.43 113.55 110.10 2oq3 h SER 4 Ca 0.07 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2oq3 h SER 4 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2oq3 h SER 4 CO 0.02 0.00 0.12 -0.78 -1.14 0.00 0.00 176.83 175.05 2oq3 h ASP 5 N 0.00 0.00 0.26 3.07 3.58 -1.93 -1.90 116.42 119.50 2oq3 h ASP 5 Ca 0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2oq3 h ASP 5 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2oq3 h ASP 5 CO -0.00 0.00 -0.46 -1.22 -2.88 0.00 0.00 179.24 174.68 2oq3 n TYR 6 N -4.12 0.00 -3.68 0.28 4.01 -0.54 -4.84 117.16 108.27 2oq3 n TYR 6 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 2oq3 n TYR 6 Cb 0.24 -0.13 -0.11 0.00 -0.31 0.00 0.00 39.34 39.03 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 -2.73 3.34 0.03 -0.72 0.40 -0.71 -0.54 117.98 117.05 2oq3 s PHE 7 Ca 0.17 -1.62 -0.25 0.00 -0.60 0.00 0.00 56.93 54.62 2oq3 s PHE 7 Cb 0.18 -2.75 -0.14 0.00 0.51 0.00 0.00 43.02 40.82 2oq3 s PHE 7 CO 0.63 -0.83 1.24 -1.00 0.70 0.00 0.00 175.22 175.96 2oq3 h PRO 8 N 8.29 -0.88 0.00 0.24 0.13 -1.84 -3.49 132.00 134.45 2oq3 h PRO 8 Ca -0.22 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2oq3 h PRO 8 Cb 1.08 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2oq3 h PRO 8 CO 0.69 -0.59 0.00 -1.91 -0.23 0.00 0.00 178.00 175.97 2oq3 n GLU 9 N -4.76 0.00 0.00 0.86 2.13 -1.26 -4.96 120.64 112.65 2oq3 n GLU 9 Ca -0.11 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.78 2oq3 n GLU 9 Cb 0.36 0.00 0.44 0.00 0.27 0.00 0.00 31.44 32.51 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 -2.34 0.00 0.00 4.31 7.64 -1.26 -4.18 113.62 117.80 2oq3 n SER 10 Ca 0.00 -0.86 0.07 0.00 1.01 0.00 0.00 58.87 59.09 2oq3 n SER 10 Cb 0.00 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.85 0.00 -4.04 6.43 3.41 -1.26 -4.74 113.62 112.57 2oq3 n SER 11 Ca 0.11 -0.07 -0.27 0.00 -0.26 0.00 0.00 58.87 58.38 2oq3 n SER 11 Cb 0.05 -0.20 -0.17 0.00 -0.26 0.00 0.00 64.21 63.63 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 -2.40 1.36 -0.01 -1.33 1.01 -1.26 -0.19 121.20 118.38 2oq3 s ILE 12 Ca 0.16 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 2oq3 s ILE 12 Cb 0.10 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.32 2oq3 s ILE 12 CO 0.20 0.41 0.10 -0.44 0.00 0.00 0.00 174.94 175.21 2oq3 s SER 13 N 0.87 0.00 -0.05 3.58 0.01 -0.21 -4.96 113.70 112.95 2oq3 s SER 13 Ca -0.10 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.14 2oq3 s SER 13 Cb -0.15 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 2oq3 s SER 13 CO 0.01 -0.23 -0.20 -0.69 0.41 0.00 0.00 173.24 172.54 2oq3 s VAL 14 N -0.81 1.65 0.01 3.43 1.01 -1.26 -1.66 120.40 122.77 2oq3 s VAL 14 Ca -0.09 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2oq3 s VAL 14 Cb -0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2oq3 s VAL 14 CO 0.01 0.47 -0.03 -0.63 0.00 0.00 0.00 175.10 174.92 2oq3 s ILE 15 N -0.07 0.17 0.01 2.22 1.01 0.05 -4.96 121.20 119.62 2oq3 s ILE 15 Ca -0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 2oq3 s ILE 15 Cb -0.12 -0.20 -0.18 0.00 0.01 0.00 0.00 42.46 41.97 2oq3 s ILE 15 CO 0.02 -0.11 1.36 -0.74 0.00 0.00 0.00 174.94 175.47 2oq3 h HIS 16 N 5.65 0.09 -2.00 3.97 -0.00 -1.95 -0.18 115.15 120.73 2oq3 h HIS 16 Ca -0.28 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.02 2oq3 h HIS 16 Cb 1.21 -0.02 -0.20 0.00 -0.00 0.00 0.00 27.41 28.39 2oq3 h HIS 16 CO 0.48 0.46 0.16 -1.54 -0.00 0.00 0.00 177.93 177.50 2oq3 s SER 17 N -5.69 -0.70 0.55 3.26 1.04 -1.26 -1.45 113.70 109.45 2oq3 s SER 17 Ca -0.15 1.07 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 2oq3 s SER 17 Cb 0.03 0.99 -0.05 0.00 0.10 0.00 0.00 66.02 67.09 2oq3 s SER 17 CO 0.69 -0.43 1.13 0.00 0.98 0.00 0.00 173.24 175.61 2oq3 s ALA 18 N -0.42 2.67 0.23 5.32 0.00 -1.26 -4.96 121.76 123.34 2oq3 s ALA 18 Ca -0.06 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 2oq3 s ALA 18 Cb -0.02 -3.36 0.22 0.00 0.00 0.00 0.00 23.12 19.95 2oq3 s ALA 18 CO 0.06 -0.83 1.90 -0.22 0.00 0.00 0.00 175.76 176.66 2oq3 h LYS 19 N 1.10 1.23 -2.91 0.00 3.64 -1.97 -3.47 116.57 114.18 2oq3 h LYS 19 Ca -0.50 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 58.81 2oq3 h LYS 19 Cb 1.26 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2oq3 h LYS 19 CO 0.57 0.84 0.33 0.16 -2.27 0.00 0.00 179.45 179.07 2oq3 s ASP 20 N -6.10 -0.01 0.45 4.20 -4.77 -1.26 -5.01 116.67 104.17 2oq3 s ASP 20 Ca -0.13 -1.03 0.17 0.00 -3.30 0.00 0.00 52.55 48.26 2oq3 s ASP 20 Cb 0.17 0.78 1.12 0.00 -1.09 0.00 0.00 42.92 43.90 2oq3 s ASP 20 CO 0.81 -1.55 1.97 4.11 0.70 0.00 0.00 175.17 181.22 2oq3 h TRP 21 N 2.00 0.34 0.04 2.11 0.09 -1.90 -1.63 115.95 117.00 2oq3 h TRP 21 Ca -0.31 0.01 -0.21 0.00 0.09 0.00 0.00 58.89 58.47 2oq3 h TRP 21 Cb 1.24 -0.11 0.02 0.00 0.08 0.00 0.00 29.16 30.39 2oq3 h TRP 21 CO 1.31 0.15 -0.84 1.96 0.09 0.00 0.00 178.44 181.11 2oq3 h GLN 22 N 0.31 0.49 0.00 0.12 4.20 -1.96 -3.14 115.11 115.13 2oq3 h GLN 22 Ca 0.29 -0.59 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 2oq3 h GLN 22 Cb 0.70 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2oq3 h GLN 22 CO -0.07 1.22 -0.22 1.49 -0.67 0.00 0.00 178.83 180.58 2oq3 h GLU 23 N 0.03 0.00 -0.77 1.46 4.57 -1.85 -0.89 114.58 117.13 2oq3 h GLU 23 Ca -0.12 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2oq3 h GLU 23 Cb 1.55 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.11 2oq3 h GLU 23 CO 0.16 0.22 0.34 0.00 -1.18 0.00 0.00 179.01 178.55 2oq3 h ALA 24 N 1.78 1.00 -0.37 2.92 0.00 -1.30 0.89 119.26 124.18 2oq3 h ALA 24 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2oq3 h ALA 24 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2oq3 h ALA 24 CO 0.03 0.59 -0.06 0.82 0.00 0.00 0.00 179.25 180.63 2oq3 h ILE 25 N 1.10 1.27 -0.31 0.00 2.04 -1.29 -2.29 117.51 118.04 2oq3 h ILE 25 Ca 0.26 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 65.04 2oq3 h ILE 25 Cb 0.17 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2oq3 h ILE 25 CO -0.03 0.36 0.18 -0.78 0.00 0.00 0.00 178.15 177.88 2oq3 h ASP 26 N 0.49 0.29 0.59 1.72 3.58 -0.80 -1.25 116.42 121.04 2oq3 h ASP 26 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2oq3 h ASP 26 Cb 0.55 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 2oq3 h ASP 26 CO 0.03 0.21 -0.03 -0.26 -2.88 0.00 0.00 179.24 176.31 2oq3 h PHE 27 N 0.37 0.00 0.00 0.28 0.04 -0.82 0.28 116.94 117.09 2oq3 h PHE 27 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2oq3 h PHE 27 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2oq3 h PHE 27 CO -0.08 0.03 0.00 0.43 -0.60 0.00 0.00 178.31 178.09 2oq3 n SER 28 N -3.18 0.00 0.00 2.17 7.64 -0.50 -4.36 113.62 115.39 2oq3 n SER 28 Ca -0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2oq3 n SER 28 Cb 0.22 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2oq3 n SER 28 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2oq3 n MET 29 N -1.41 2.61 -0.20 1.43 2.81 -0.25 -3.95 117.12 118.16 2oq3 n MET 29 Ca 0.10 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.02 2oq3 n MET 29 Cb 0.29 -0.72 0.29 0.00 -0.71 0.00 0.00 33.22 32.38 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 1.12 0.00 2.03 3.04 -0.72 -0.20 116.25 121.52 2oq3 h VAL 30 Ca 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 2oq3 h VAL 30 Cb 0.21 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 29.62 2oq3 h VAL 30 CO 0.00 0.16 -0.15 0.28 -1.01 0.00 0.00 177.57 176.86 2oq3 h SER 31 N 0.90 0.00 0.17 3.17 0.02 -1.84 0.99 113.55 116.95 2oq3 h SER 31 Ca 0.29 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 31 Cb 0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2oq3 h SER 31 CO -0.08 0.15 -1.62 -0.07 -1.14 0.00 0.00 176.83 174.07 2oq3 h LEU 32 N 0.00 0.56 -0.98 5.07 3.38 -1.43 -3.35 115.31 118.56 2oq3 h LEU 32 Ca -0.00 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 57.09 2oq3 h LEU 32 Cb 0.44 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2oq3 h LEU 32 CO 0.02 1.73 0.64 0.25 0.09 0.00 0.00 178.44 181.17 2oq3 h LEU 33 N -0.03 1.08 -2.08 1.67 5.85 -0.80 -0.05 115.31 120.95 2oq3 h LEU 33 Ca -0.32 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2oq3 h LEU 33 Cb 1.99 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 2oq3 h LEU 33 CO 0.15 0.74 -0.08 -0.78 -0.34 0.00 0.00 178.44 178.13 2oq3 h ASP 34 N 1.25 0.00 -0.40 1.25 3.58 -0.94 -0.64 116.42 120.52 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 -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2oq3 h ASP 34 CO -0.12 0.08 0.00 0.29 -2.88 0.00 0.00 179.24 176.61 2oq3 n LYS 35 N -3.89 3.14 -4.26 0.28 4.76 -1.04 -4.98 118.16 112.16 2oq3 n LYS 35 Ca -0.02 -2.55 -0.36 0.00 -2.87 0.00 0.00 58.31 52.50 2oq3 n LYS 35 Cb 0.17 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.68 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 0.33 -2.40 0.29 4.39 0.23 -0.25 -4.86 115.26 113.00 2oq3 n ASN 36 Ca 0.19 -1.07 0.17 0.00 -0.53 0.00 0.00 54.58 53.34 2oq3 n ASN 36 Cb 0.71 -2.50 0.89 0.00 -2.08 0.00 0.00 39.78 36.80 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 -1.45 0.00 -4.13 -2.53 -1.99 -1.25 -3.41 116.97 102.21 2oq3 h TYR 37 Ca -0.60 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.00 2oq3 h TYR 37 Cb 1.38 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.97 2oq3 h TYR 37 CO 0.62 0.05 -0.51 0.96 -0.00 0.00 0.00 178.16 179.28 2oq3 s ILE 38 N -4.10 0.12 0.35 -2.88 -4.36 -1.25 -0.60 121.20 108.47 2oq3 s ILE 38 Ca -0.03 -1.61 0.04 0.00 -0.26 0.00 0.00 60.65 58.79 2oq3 s ILE 38 Cb 0.12 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 42.05 2oq3 s ILE 38 CO 0.52 -0.54 0.52 -0.44 0.24 0.00 0.00 174.94 175.24 2oq3 s SER 39 N -2.97 6.01 0.38 4.36 0.01 0.20 -4.60 113.70 117.10 2oq3 s SER 39 Ca 0.16 0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.54 2oq3 s SER 39 Cb 0.06 -1.49 0.82 0.00 0.21 0.00 0.00 66.02 65.62 2oq3 s SER 39 CO -0.03 -0.44 1.97 -0.33 0.41 0.00 0.00 173.24 174.82 2oq3 h GLU 40 N 0.78 0.64 -0.17 12.44 5.08 -1.96 -1.89 114.58 129.50 2oq3 h GLU 40 Ca -0.47 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2oq3 h GLU 40 Cb 1.25 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2oq3 h GLU 40 CO 0.56 0.42 0.12 -0.97 -1.00 0.00 0.00 179.01 178.14 2oq3 h ASN 41 N 0.66 0.07 -0.51 1.42 -1.24 -1.92 -2.33 115.58 111.73 2oq3 h ASN 41 Ca 0.29 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.31 2oq3 h ASN 41 Cb 0.29 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 2oq3 h ASN 41 CO -0.09 0.05 0.33 0.22 -1.29 0.00 0.00 177.43 176.65 2oq3 h TYR 42 N 0.08 0.62 -0.20 0.67 3.20 -1.29 -0.42 116.97 119.63 2oq3 h TYR 42 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2oq3 h TYR 42 Cb 0.19 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2oq3 h TYR 42 CO -0.00 0.38 0.06 0.82 -1.64 0.00 0.00 178.16 177.79 2oq3 h ILE 43 N 0.67 1.19 -0.07 1.81 5.03 -1.57 -3.06 117.51 121.51 2oq3 h ILE 43 Ca 0.19 -0.60 -0.05 0.00 -0.12 0.00 0.00 64.86 64.28 2oq3 h ILE 43 Cb -0.06 1.21 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 2oq3 h ILE 43 CO -0.05 0.19 -0.20 -0.61 -0.68 0.00 0.00 178.15 176.80 2oq3 h GLN 44 N 0.15 0.12 -0.76 2.37 5.75 -1.26 -1.74 115.11 119.75 2oq3 h GLN 44 Ca 0.06 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2oq3 h GLN 44 Cb 0.24 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 2oq3 h GLN 44 CO -0.00 0.32 0.47 0.00 -2.65 0.00 0.00 178.83 176.97 2oq3 h ALA 45 N 1.69 0.96 -0.21 3.38 0.00 -0.99 0.63 119.26 124.73 2oq3 h ALA 45 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2oq3 h ALA 45 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2oq3 h ALA 45 CO 0.03 0.41 -0.04 0.82 0.00 0.00 0.00 179.25 180.47 2oq3 h ILE 46 N 1.03 1.28 -0.14 0.00 2.04 -1.32 -1.78 117.51 118.62 2oq3 h ILE 46 Ca 0.27 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.16 2oq3 h ILE 46 Cb -0.07 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2oq3 h ILE 46 CO -0.05 0.30 0.03 0.11 0.00 0.00 0.00 178.15 178.54 2oq3 h LYS 47 N 0.13 0.08 -0.69 2.37 1.57 -1.08 0.09 116.57 119.04 2oq3 h LYS 47 Ca 0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2oq3 h LYS 47 Cb 0.47 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2oq3 h LYS 47 CO 0.02 0.06 0.30 0.22 -0.57 0.00 0.00 179.45 179.47 2oq3 h ASP 48 N 0.09 0.93 -0.65 0.86 3.58 -0.85 -0.28 116.42 120.10 2oq3 h ASP 48 Ca 0.06 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.29 2oq3 h ASP 48 Cb 0.05 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2oq3 h ASP 48 CO -0.08 0.83 0.15 0.28 -2.88 0.00 0.00 179.24 177.54 2oq3 h SER 49 N 0.97 0.99 -0.50 2.28 0.02 -1.08 -0.38 113.55 115.86 2oq3 h SER 49 Ca 0.23 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2oq3 h SER 49 Cb 0.18 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2oq3 h SER 49 CO -0.02 0.97 0.27 0.74 -1.14 0.00 0.00 176.83 177.65 2oq3 h THR 50 N 0.96 1.17 -0.53 -2.27 2.02 -0.45 -0.97 112.91 112.84 2oq3 h THR 50 Ca 0.20 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 2oq3 h THR 50 Cb 0.37 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2oq3 h THR 50 CO 0.00 0.19 0.07 0.40 0.37 0.00 0.00 175.52 176.55 2oq3 h ILE 51 N 0.66 1.25 -0.15 3.11 2.04 -0.85 -2.02 117.51 121.54 2oq3 h ILE 51 Ca 0.17 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 64.93 2oq3 h ILE 51 Cb 0.06 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2oq3 h ILE 51 CO -0.03 0.35 -0.46 0.78 0.00 0.00 0.00 178.15 178.79 2oq3 h ASN 52 N 0.77 0.41 0.00 1.72 2.35 -0.68 -3.43 115.58 116.72 2oq3 h ASN 52 Ca 0.16 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2oq3 h ASN 52 Cb 0.42 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2oq3 h ASN 52 CO 0.01 0.81 0.00 -3.20 -1.65 0.00 0.00 177.43 173.41 2oq3 n ASN 53 N -3.99 -0.24 0.00 5.81 5.15 -0.40 -5.09 115.26 116.50 2oq3 n ASN 53 Ca -0.02 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 2oq3 n ASN 53 Cb 0.53 0.41 0.00 0.00 -0.53 0.00 0.00 39.78 40.19 2oq3 n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oq3 n GLY 54 N 1.41 1.67 3.71 8.20 0.00 -0.76 -4.75 105.19 114.66 2oq3 n GLY 54 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.91 4.20 0.06 1.61 0.04 -1.26 -3.98 135.00 133.77 2oq3 s PRO 55 Ca 0.00 2.38 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 2oq3 s PRO 55 Cb 0.00 -3.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.16 2oq3 s PRO 55 CO 0.00 -0.65 1.53 1.88 0.04 0.00 0.00 177.00 179.81 2oq3 h TYR 56 N 7.14 0.20 -3.51 0.56 0.05 -1.95 -3.41 116.97 116.05 2oq3 h TYR 56 Ca -0.43 -0.03 -0.70 0.00 0.05 0.00 0.00 58.73 57.63 2oq3 h TYR 56 Cb 1.20 -0.05 -0.36 0.00 1.01 0.00 0.00 36.73 38.53 2oq3 h TYR 56 CO 0.68 0.37 -0.33 0.71 -1.05 0.00 0.00 178.16 178.53 2oq3 s TYR 57 N -5.21 3.46 -0.13 4.88 2.02 -1.26 -5.02 117.35 116.09 2oq3 s TYR 57 Ca -0.14 -2.79 -0.01 0.00 -0.37 0.00 0.00 57.07 53.76 2oq3 s TYR 57 Cb 0.06 -3.19 -0.02 0.00 -0.40 0.00 0.00 41.96 38.41 2oq3 s TYR 57 CO 0.70 -0.81 -0.10 0.42 -1.57 0.00 0.00 175.55 174.18 2oq3 s ILE 58 N -0.31 3.30 -0.02 2.71 -1.09 -1.26 -1.26 121.20 123.26 2oq3 s ILE 58 Ca 0.19 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 2oq3 s ILE 58 Cb -0.18 -2.39 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 2oq3 s ILE 58 CO -0.05 0.52 0.03 0.18 -1.23 0.00 0.00 174.94 174.40 2oq3 n LEU 59 N 3.38 0.00 -3.57 2.97 7.99 -0.77 -5.01 117.00 122.00 2oq3 n LEU 59 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.71 2oq3 n LEU 59 Cb 0.53 0.06 -0.03 0.00 -0.11 0.00 0.00 43.42 43.86 2oq3 n LEU 59 CO 0.31 0.06 0.30 0.00 -1.51 0.00 0.00 177.39 176.54 2oq3 s ALA 60 N -2.13 -1.23 -0.33 -1.18 0.00 -1.24 -5.00 121.76 110.65 2oq3 s ALA 60 Ca -0.02 0.13 -0.39 0.00 0.00 0.00 0.00 51.96 51.69 2oq3 s ALA 60 Cb 0.01 0.82 -0.15 0.00 0.00 0.00 0.00 23.12 23.80 2oq3 s ALA 60 CO 0.14 -0.75 1.94 -2.30 0.00 0.00 0.00 175.76 174.79 2oq3 n PRO 61 N -0.33 0.98 -0.47 0.00 -0.02 -1.26 -1.12 135.00 132.79 2oq3 n PRO 61 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2oq3 n PRO 61 Cb 0.64 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oq3 n GLY 62 N 5.36 0.75 2.97 -1.23 0.00 -1.26 -4.99 105.19 106.78 2oq3 n GLY 62 Ca 0.35 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.60 1.00 0.25 1.61 1.01 -0.27 -0.95 120.40 120.45 2oq3 s VAL 63 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2oq3 s VAL 63 Cb 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2oq3 s VAL 63 CO 0.00 0.34 0.07 0.00 0.00 0.00 0.00 175.10 175.50 2oq3 s ALA 64 N 0.99 1.77 -0.40 5.51 0.00 -0.31 -1.84 121.76 127.48 2oq3 s ALA 64 Ca -0.09 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 50.09 2oq3 s ALA 64 Cb -0.15 0.87 0.22 0.00 0.00 0.00 0.00 23.12 24.07 2oq3 s ALA 64 CO -0.00 -0.40 0.48 -0.12 0.00 0.00 0.00 175.76 175.72 2oq3 n MET 65 N -0.46 0.55 -1.68 0.00 0.00 -0.39 -2.38 117.12 112.75 2oq3 n MET 65 Ca -0.02 -3.14 -0.53 0.00 0.00 0.00 0.00 57.70 54.01 2oq3 n MET 65 Cb 0.66 -1.37 -0.06 0.00 0.00 0.00 0.00 33.22 32.45 2oq3 n MET 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2oq3 n PRO 66 N 1.89 1.49 -3.50 2.12 -0.02 -1.15 -4.70 135.00 131.12 2oq3 n PRO 66 Ca 0.23 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 2oq3 n PRO 66 Cb 0.52 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.92 -0.50 0.15 6.00 5.04 -1.26 -2.90 115.29 124.75 2oq3 s HIS 67 Ca 0.93 0.60 -0.00 0.00 -1.54 0.00 0.00 55.06 55.05 2oq3 s HIS 67 Cb -0.92 0.49 -0.04 0.00 0.04 0.00 0.00 32.58 32.14 2oq3 s HIS 67 CO 0.57 -0.61 0.05 0.00 -2.34 0.00 0.00 174.74 172.41 2oq3 s ALA 68 N -2.32 1.04 0.73 1.58 0.00 -1.26 -4.83 121.76 116.70 2oq3 s ALA 68 Ca -0.02 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.24 2oq3 s ALA 68 Cb -0.01 0.86 0.04 0.00 0.00 0.00 0.00 23.12 24.01 2oq3 s ALA 68 CO -0.02 -0.46 1.24 1.03 0.00 0.00 0.00 175.76 177.55 2oq3 s ARG 69 N -4.03 2.08 0.25 0.00 0.52 -1.26 -4.86 118.95 111.65 2oq3 s ARG 69 Ca 0.26 1.89 -0.05 0.00 -0.52 0.00 0.00 55.73 57.31 2oq3 s ARG 69 Cb 0.07 -1.81 0.48 0.00 0.52 0.00 0.00 34.95 34.21 2oq3 s ARG 69 CO 0.04 -1.91 1.65 -1.35 0.02 0.00 0.00 175.30 173.75 2oq3 h PRO 70 N -0.22 0.15 0.00 3.54 0.11 -1.93 -0.53 132.00 133.12 2oq3 h PRO 70 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2oq3 h PRO 70 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2oq3 h PRO 70 CO 0.49 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 2oq3 n GLU 71 N -5.29 0.04 0.04 1.05 0.28 -1.26 -0.93 120.64 114.58 2oq3 n GLU 71 Ca 0.15 0.36 0.11 0.00 -0.16 0.00 0.00 57.16 57.62 2oq3 n GLU 71 Cb 0.50 -1.59 0.45 0.00 1.43 0.00 0.00 31.44 32.23 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 0.63 0.36 3.80 0.00 0.00 -0.69 -3.17 105.19 106.12 2oq3 n GLY 73 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.36 2.73 0.00 4.61 0.00 -0.10 -0.62 121.76 128.01 2oq3 s ALA 74 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2oq3 s ALA 74 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2oq3 s ALA 74 CO 0.00 -0.87 0.00 1.28 0.00 0.00 0.00 175.76 176.17 2oq3 n LEU 75 N -2.18 0.00 0.00 0.00 4.77 0.23 -4.86 117.00 114.96 2oq3 n LEU 75 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2oq3 n LEU 75 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2oq3 n LEU 75 CO 0.48 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.83 2oq3 n LYS 76 N -0.82 0.00 -4.56 3.23 5.02 -0.87 -4.80 118.16 115.36 2oq3 n LYS 76 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2oq3 n LYS 76 Cb 0.10 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.95 2oq3 n LYS 76 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2oq3 s THR 77 N -2.20 1.48 0.06 -0.18 2.01 -1.26 -2.23 115.64 113.31 2oq3 s THR 77 Ca 0.00 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.20 2oq3 s THR 77 Cb 0.00 -1.34 0.05 0.00 0.01 0.00 0.00 72.50 71.22 2oq3 s THR 77 CO 0.00 0.44 0.72 0.61 -0.69 0.00 0.00 174.62 175.70 2oq3 n GLY 78 N 4.06 0.63 3.30 4.40 0.00 -0.42 -4.93 105.19 112.23 2oq3 n GLY 78 Ca -0.20 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 2oq3 n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2oq3 s MET 79 N -2.02 1.22 0.20 1.61 -1.94 0.29 -0.94 119.30 117.73 2oq3 s MET 79 Ca 0.17 -1.45 -0.00 0.00 -1.71 0.00 0.00 55.69 52.70 2oq3 s MET 79 Cb -0.01 0.33 -0.04 0.00 2.01 0.00 0.00 34.83 37.11 2oq3 s MET 79 CO 0.02 -0.43 0.10 -1.12 -0.01 0.00 0.00 175.02 173.58 2oq3 s SER 80 N -3.08 0.52 -0.19 3.03 0.01 -0.51 -4.60 113.70 108.89 2oq3 s SER 80 Ca 0.30 -1.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.15 2oq3 s SER 80 Cb 0.05 0.29 0.08 0.00 0.21 0.00 0.00 66.02 66.65 2oq3 s SER 80 CO 0.08 -0.77 0.40 -0.22 0.41 0.00 0.00 173.24 173.14 2oq3 s LEU 81 N -3.18 -0.56 -0.04 2.44 2.96 0.73 -0.92 118.68 120.12 2oq3 s LEU 81 Ca 0.35 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 55.20 2oq3 s LEU 81 Cb 0.07 1.27 0.02 0.00 0.50 0.00 0.00 46.19 48.06 2oq3 s LEU 81 CO 0.10 -0.23 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.99 2oq3 s THR 82 N 2.49 0.34 -0.06 3.68 2.01 0.17 -1.05 115.64 123.22 2oq3 s THR 82 Ca -0.02 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.03 2oq3 s THR 82 Cb -0.12 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 2oq3 s THR 82 CO -0.12 0.19 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.57 2oq3 s LEU 83 N 1.04 2.34 -0.24 4.42 2.96 -0.67 -1.15 118.68 127.39 2oq3 s LEU 83 Ca -0.09 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2oq3 s LEU 83 Cb -0.14 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.12 2oq3 s LEU 83 CO -0.01 0.27 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.46 2oq3 s LEU 84 N -0.33 3.05 0.26 -0.68 1.02 0.25 -0.77 118.68 121.47 2oq3 s LEU 84 Ca 0.02 -0.81 -0.05 0.00 0.02 0.00 0.00 54.13 53.31 2oq3 s LEU 84 Cb -0.13 -1.65 0.30 0.00 0.02 0.00 0.00 46.19 44.74 2oq3 s LEU 84 CO 0.02 -0.10 1.92 -0.33 0.02 0.00 0.00 176.35 177.88 2oq3 h GLU 85 N 8.01 1.28 -0.02 1.70 5.08 -0.60 -2.49 114.58 127.54 2oq3 h GLU 85 Ca -0.35 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2oq3 h GLU 85 Cb 1.12 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2oq3 h GLU 85 CO 0.58 0.84 -0.20 1.04 -1.00 0.00 0.00 179.01 180.27 2oq3 n GLN 86 N -4.41 1.68 -0.52 2.33 6.02 -0.53 -5.05 117.38 116.90 2oq3 n GLN 86 Ca 0.13 -1.35 0.07 0.00 -0.01 0.00 0.00 57.00 55.83 2oq3 n GLN 86 Cb 0.05 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 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 1.25 -1.64 3.27 1.08 0.00 -0.94 -4.99 105.19 103.22 2oq3 n GLY 87 Ca 0.10 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.95 0.05 -0.26 1.61 0.11 -0.41 -4.48 120.40 116.07 2oq3 s VAL 88 Ca 0.00 -0.39 -0.23 0.00 -2.93 0.00 0.00 61.98 58.43 2oq3 s VAL 88 Cb 0.00 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2oq3 s VAL 88 CO 0.00 -0.21 0.76 -0.47 -3.33 0.00 0.00 175.10 171.85 2oq3 s TYR 89 N -1.17 3.27 0.21 1.54 6.14 -1.26 -0.77 117.35 125.32 2oq3 s TYR 89 Ca -0.12 0.97 -0.20 0.00 0.64 0.00 0.00 57.07 58.36 2oq3 s TYR 89 Cb -0.05 -3.04 -0.08 0.00 0.42 0.00 0.00 41.96 39.22 2oq3 s TYR 89 CO 0.04 -0.42 0.72 -0.06 0.64 0.00 0.00 175.55 176.47 2oq3 s PHE 90 N 2.78 3.66 0.28 4.97 0.40 -1.26 -4.63 117.98 124.18 2oq3 s PHE 90 Ca 0.32 1.38 -0.29 0.00 -0.60 0.00 0.00 56.93 57.73 2oq3 s PHE 90 Cb -0.15 -2.61 -0.10 0.00 0.51 0.00 0.00 43.02 40.67 2oq3 s PHE 90 CO 0.09 0.35 1.38 -1.25 0.70 0.00 0.00 175.22 176.49 2oq3 s PRO 91 N -1.93 4.30 0.00 0.24 0.04 -1.26 -2.55 135.00 133.83 2oq3 s PRO 91 Ca 0.42 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2oq3 s PRO 91 Cb -0.17 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2oq3 s PRO 91 CO 0.21 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2oq3 n GLY 92 N 1.62 1.85 3.83 0.56 0.00 -1.26 -4.25 105.19 107.55 2oq3 n GLY 92 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.30 5.17 0.27 1.61 2.47 -1.06 -4.99 114.94 115.12 2oq3 s ASN 93 Ca 0.00 1.41 0.14 0.00 0.42 0.00 0.00 52.86 54.83 2oq3 s ASN 93 Cb 0.00 -2.25 0.18 0.00 -1.45 0.00 0.00 41.25 37.73 2oq3 s ASN 93 CO 0.00 -1.55 1.49 -0.78 -3.72 0.00 0.00 177.10 172.54 2oq3 h ASP 94 N -0.80 0.00 -5.10 -4.21 3.58 -1.95 -3.48 116.42 104.47 2oq3 h ASP 94 Ca -0.45 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.01 2oq3 h ASP 94 Cb 1.23 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.21 2oq3 h ASP 94 CO 0.59 0.58 0.08 -1.83 -2.88 0.00 0.00 179.24 175.78 2oq3 s GLU 95 N -3.10 1.65 0.45 0.28 -1.05 -1.26 -5.16 118.70 110.51 2oq3 s GLU 95 Ca 0.02 -1.07 -0.23 0.00 -0.15 0.00 0.00 54.97 53.55 2oq3 s GLU 95 Cb 0.09 0.55 -0.08 0.00 -0.44 0.00 0.00 34.13 34.25 2oq3 s GLU 95 CO 0.75 -0.72 1.13 -1.25 0.95 0.00 0.00 175.26 176.11 2oq3 s PRO 96 N -3.95 3.82 0.02 -4.83 0.04 -1.26 -4.57 135.00 124.26 2oq3 s PRO 96 Ca 0.15 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 2oq3 s PRO 96 Cb -0.03 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 2oq3 s PRO 96 CO 0.06 -0.48 0.61 0.42 0.04 0.00 0.00 177.00 177.66 2oq3 s ILE 97 N -1.61 4.85 -0.06 0.56 -1.09 0.05 -4.23 121.20 119.67 2oq3 s ILE 97 Ca 0.63 1.29 0.10 0.00 -2.23 0.00 0.00 60.65 60.44 2oq3 s ILE 97 Cb -0.26 -3.95 -0.15 0.00 -1.58 0.00 0.00 42.46 36.52 2oq3 s ILE 97 CO 0.32 0.43 0.14 0.29 -1.23 0.00 0.00 174.94 174.89 2oq3 n LYS 98 N 2.57 1.34 -4.40 2.79 5.02 -0.13 -1.29 118.16 124.06 2oq3 n LYS 98 Ca -0.07 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.91 2oq3 n LYS 98 Cb 0.51 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 34.09 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 -4.27 1.56 -0.01 -0.35 2.96 -0.73 -0.58 118.68 117.27 2oq3 s LEU 99 Ca -0.05 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2oq3 s LEU 99 Cb 0.05 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 2oq3 s LEU 99 CO 0.44 -0.01 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.62 2oq3 s LEU 100 N 0.99 1.97 -0.12 -0.68 1.02 -0.30 -1.16 118.68 120.40 2oq3 s LEU 100 Ca -0.08 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 53.92 2oq3 s LEU 100 Cb -0.15 -0.46 0.02 0.00 0.02 0.00 0.00 46.19 45.62 2oq3 s LEU 100 CO -0.00 0.10 -0.14 -0.63 0.02 0.00 0.00 176.35 175.69 2oq3 s ILE 101 N -0.13 1.47 0.52 -0.59 1.01 -1.00 -0.66 121.20 121.82 2oq3 s ILE 101 Ca 0.02 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 2oq3 s ILE 101 Cb -0.04 -1.36 -0.07 0.00 0.01 0.00 0.00 42.46 41.00 2oq3 s ILE 101 CO -0.00 0.44 0.96 -0.83 0.00 0.00 0.00 174.94 175.50 2oq3 s GLY 102 N 1.17 1.97 -0.14 6.18 0.00 -0.09 -2.92 107.32 113.49 2oq3 s GLY 102 Ca -0.03 0.07 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 2oq3 s GLY 102 CO -0.04 0.33 0.36 -2.27 0.00 0.00 0.00 173.10 171.48 2oq3 s LEU 103 N -4.23 0.55 0.04 0.66 0.20 -1.14 -1.42 118.68 113.35 2oq3 s LEU 103 Ca 0.57 0.73 -0.00 0.00 0.69 0.00 0.00 54.13 56.12 2oq3 s LEU 103 Cb -0.10 1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 46.85 2oq3 s LEU 103 CO 0.35 -0.13 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.30 2oq3 s SER 104 N 0.34 0.51 -0.13 3.68 1.04 -0.11 -4.54 113.70 114.49 2oq3 s SER 104 Ca -0.01 -0.78 -0.13 0.00 0.48 0.00 0.00 55.95 55.50 2oq3 s SER 104 Cb -0.03 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.26 2oq3 s SER 104 CO -0.01 -0.44 0.38 0.00 0.98 0.00 0.00 173.24 174.15 2oq3 s ALA 105 N -2.76 -0.94 -0.46 5.32 0.00 -1.18 -1.30 121.76 120.44 2oq3 s ALA 105 Ca -0.02 1.02 0.26 0.00 0.00 0.00 0.00 51.96 53.22 2oq3 s ALA 105 Cb -0.00 -0.57 0.82 0.00 0.00 0.00 0.00 23.12 23.37 2oq3 s ALA 105 CO -0.05 -0.19 1.76 0.00 0.00 0.00 0.00 175.76 177.28 2oq3 h ALA 106 N 5.40 1.00 -2.52 0.00 0.00 -1.76 -3.39 119.26 118.00 2oq3 h ALA 106 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2oq3 h ALA 106 Cb 1.18 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 2oq3 h ALA 106 CO 0.28 0.00 -0.05 0.34 0.00 0.00 0.00 179.25 179.82 2oq3 s ASP 107 N -5.10 -0.34 0.38 0.00 2.15 -1.26 -4.95 116.67 107.54 2oq3 s ASP 107 Ca 0.07 0.06 0.05 0.00 0.43 0.00 0.00 52.55 53.16 2oq3 s ASP 107 Cb 0.09 0.45 0.75 0.00 -0.30 0.00 0.00 42.92 43.91 2oq3 s ASP 107 CO 0.56 -0.69 2.02 0.00 -0.17 0.00 0.00 175.17 176.90 2oq3 h ALA 108 N 2.91 1.65 -0.29 3.66 0.00 -1.99 -0.24 119.26 124.96 2oq3 h ALA 108 Ca -0.31 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 2oq3 h ALA 108 Cb 1.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2oq3 h ALA 108 CO 0.43 0.30 -0.47 0.22 0.00 0.00 0.00 179.25 179.73 2oq3 h ASP 109 N 0.71 0.86 -0.61 0.00 3.58 -1.99 -0.85 116.42 118.12 2oq3 h ASP 109 Ca 0.22 -0.43 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 2oq3 h ASP 109 Cb -0.00 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 2oq3 h ASP 109 CO -0.05 1.19 0.20 0.28 -2.88 0.00 0.00 179.24 177.98 2oq3 h SER 110 N 0.62 0.91 -0.10 2.28 0.02 -1.83 -0.78 113.55 114.67 2oq3 h SER 110 Ca 0.03 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2oq3 h SER 110 Cb 1.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2oq3 h SER 110 CO 0.10 0.85 0.05 -0.74 -1.14 0.00 0.00 176.83 175.95 2oq3 h HIS 111 N 0.95 0.08 -0.43 3.45 -0.00 -0.79 -0.56 115.15 117.85 2oq3 h HIS 111 Ca 0.21 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.61 2oq3 h HIS 111 Cb 0.27 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 2oq3 h HIS 111 CO 0.02 0.05 0.25 0.82 -0.00 0.00 0.00 177.93 179.07 2oq3 h ILE 112 N 0.10 1.05 -0.37 6.26 1.08 -0.68 0.78 117.51 125.73 2oq3 h ILE 112 Ca 0.04 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2oq3 h ILE 112 Cb 0.01 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 2oq3 h ILE 112 CO -0.03 0.09 0.22 1.23 -0.69 0.00 0.00 178.15 178.96 2oq3 h GLY 113 N 0.51 0.51 0.95 5.37 0.00 -0.97 -0.38 103.07 109.06 2oq3 h GLY 113 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2oq3 h GLY 113 CO -0.08 0.14 0.16 0.00 0.00 0.00 0.00 176.54 176.77 2oq3 h ALA 114 N 1.17 0.41 -0.00 3.60 0.00 -0.71 -1.37 119.26 122.36 2oq3 h ALA 114 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2oq3 h ALA 114 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2oq3 h ALA 114 CO -0.07 -0.04 -0.13 0.82 0.00 0.00 0.00 179.25 179.83 2oq3 h ILE 115 N 0.39 0.67 -0.44 0.00 1.08 -0.57 -1.20 117.51 117.43 2oq3 h ILE 115 Ca 0.11 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.61 2oq3 h ILE 115 Cb 0.10 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 2oq3 h ILE 115 CO -0.02 0.00 0.29 1.56 -0.69 0.00 0.00 178.15 179.30 2oq3 h GLN 116 N -0.22 0.49 0.49 2.37 1.08 -0.82 -0.08 115.11 118.42 2oq3 h GLN 116 Ca 0.05 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2oq3 h GLN 116 Cb 0.28 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2oq3 h GLN 116 CO -0.13 0.33 -0.23 0.00 -0.95 0.00 0.00 178.83 177.84 2oq3 h ALA 117 N 1.74 -0.65 0.00 3.87 0.00 -0.68 -3.28 119.26 120.25 2oq3 h ALA 117 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2oq3 h ALA 117 Cb 0.08 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2oq3 h ALA 117 CO -0.04 -0.74 0.00 1.37 0.00 0.00 0.00 179.25 179.83 2oq3 h LEU 118 N -0.90 0.00 -2.26 0.00 8.10 -0.51 -2.04 115.31 117.69 2oq3 h LEU 118 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 2oq3 h LEU 118 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.81 2oq3 h LEU 118 CO 0.11 0.00 -0.00 0.28 -4.11 0.00 0.00 178.44 174.72 2oq3 h SER 119 N 0.00 0.00 0.31 0.17 0.02 -1.09 0.22 113.55 113.17 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 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2oq3 h SER 119 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2oq3 n GLU 120 N -4.14 0.08 -0.05 3.45 -0.58 -0.77 -1.95 120.64 116.69 2oq3 n GLU 120 Ca -0.03 0.45 -0.11 0.00 -0.42 0.00 0.00 57.16 57.05 2oq3 n GLU 120 Cb 0.09 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.22 2oq3 n GLU 120 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2oq3 n LEU 121 N -1.86 0.90 0.26 -4.62 4.77 -0.29 -4.62 117.00 111.54 2oq3 n LEU 121 Ca 0.01 0.15 0.16 0.00 -0.03 0.00 0.00 56.01 56.30 2oq3 n LEU 121 Cb 0.11 -0.36 0.52 0.00 -2.33 0.00 0.00 43.42 41.35 2oq3 n LEU 121 CO 0.11 0.12 0.93 -0.07 -1.33 0.00 0.00 177.39 177.15 2oq3 h LEU 122 N -0.41 0.00 -3.34 2.23 3.38 -1.02 -2.93 115.31 113.21 2oq3 h LEU 122 Ca -0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2oq3 h LEU 122 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2oq3 h LEU 122 CO -0.15 0.00 0.01 0.00 0.09 0.00 0.00 178.44 178.39 2oq3 s GLU 124 N -2.87 0.96 0.54 0.00 0.41 -1.11 -5.01 118.70 111.63 2oq3 s GLU 124 Ca 0.45 -1.34 0.23 0.00 -0.41 0.00 0.00 54.97 53.91 2oq3 s GLU 124 Cb 0.36 -2.39 1.44 0.00 -1.78 0.00 0.00 34.13 31.77 2oq3 s GLU 124 CO 0.09 -0.97 2.09 1.05 -0.49 0.00 0.00 175.26 177.04 2oq3 h GLU 125 N 7.93 0.00 -0.68 1.61 4.11 -1.88 -0.04 114.58 125.64 2oq3 h GLU 125 Ca -0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 2oq3 h GLU 125 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2oq3 h GLU 125 CO 0.49 0.00 0.17 0.93 0.07 0.00 0.00 179.01 180.67 2oq3 h GLU 126 N 0.00 1.07 -0.07 1.06 5.08 -1.95 -1.17 114.58 118.60 2oq3 h GLU 126 Ca 0.10 -0.24 -0.24 0.00 -1.00 0.00 0.00 59.36 57.98 2oq3 h GLU 126 Cb 0.46 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.58 2oq3 h GLU 126 CO -0.00 0.94 -0.89 0.82 -1.00 0.00 0.00 179.01 178.87 2oq3 h ILE 127 N 1.02 1.28 -0.66 3.13 5.03 -1.34 -3.05 117.51 122.92 2oq3 h ILE 127 Ca 0.21 -2.10 0.04 0.00 -0.12 0.00 0.00 64.86 62.90 2oq3 h ILE 127 Cb 0.35 2.20 -0.05 0.00 -3.03 0.00 0.00 36.82 36.29 2oq3 h ILE 127 CO 0.00 0.66 0.39 -0.07 -0.68 0.00 0.00 178.15 178.44 2oq3 h LEU 128 N 0.44 0.60 0.02 1.44 3.38 -0.89 0.71 115.31 121.01 2oq3 h LEU 128 Ca -0.09 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2oq3 h LEU 128 Cb 1.54 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 2oq3 h LEU 128 CO 0.18 0.41 -0.10 -0.33 0.09 0.00 0.00 178.44 178.69 2oq3 h GLU 129 N 0.74 -0.17 -0.23 1.13 5.08 -1.28 -0.54 114.58 119.31 2oq3 h GLU 129 Ca 0.28 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 2oq3 h GLU 129 Cb 0.10 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2oq3 h GLU 129 CO -0.14 -0.11 -0.13 1.96 -1.00 0.00 0.00 179.01 179.59 2oq3 h GLN 130 N -0.18 0.38 -0.13 2.33 4.20 -1.24 -0.40 115.11 120.07 2oq3 h GLN 130 Ca 0.03 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2oq3 h GLN 130 Cb 0.21 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2oq3 h GLN 130 CO -0.08 0.51 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.47 2oq3 h LEU 131 N 0.36 0.27 -1.17 1.46 3.38 -0.73 -2.81 115.31 116.07 2oq3 h LEU 131 Ca 0.07 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2oq3 h LEU 131 Cb 0.44 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2oq3 h LEU 131 CO 0.03 0.61 -0.00 -0.07 0.09 0.00 0.00 178.44 179.09 2oq3 h LEU 132 N -0.07 0.53 -0.68 1.67 3.38 -0.42 -2.31 115.31 117.42 2oq3 h LEU 132 Ca 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2oq3 h LEU 132 Cb 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2oq3 h LEU 132 CO 0.02 0.61 -0.02 0.35 0.09 0.00 0.00 178.44 179.48 2oq3 n THR 133 N -4.27 0.00 -1.65 0.22 -2.24 -0.22 -4.95 114.28 101.18 2oq3 n THR 133 Ca 0.02 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 2oq3 n THR 133 Cb 0.26 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 2oq3 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oq3 n ALA 134 N -0.21 1.42 0.26 6.98 0.00 -0.87 -4.86 120.51 123.23 2oq3 n ALA 134 Ca 0.19 0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.94 2oq3 n ALA 134 Cb 0.30 -2.67 0.53 0.00 0.00 0.00 0.00 19.45 17.61 2oq3 n ALA 134 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2oq3 h SER 135 N 11.00 0.00 -5.09 0.00 0.02 -1.90 -3.47 113.55 114.11 2oq3 h SER 135 Ca -0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 2oq3 h SER 135 Cb 1.25 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.69 2oq3 h SER 135 CO 0.95 0.01 0.03 -0.94 -1.14 0.00 0.00 176.83 175.74 2oq3 s SER 136 N -5.86 -0.26 0.50 3.07 1.04 -1.26 -5.02 113.70 105.90 2oq3 s SER 136 Ca 0.03 -0.48 0.17 0.00 0.48 0.00 0.00 55.95 56.15 2oq3 s SER 136 Cb 0.08 0.58 1.23 0.00 0.10 0.00 0.00 66.02 68.00 2oq3 s SER 136 CO 0.58 -1.05 2.08 -0.33 0.98 0.00 0.00 173.24 175.50 2oq3 h GLU 137 N 2.20 0.11 -0.43 4.02 5.08 -1.90 -2.18 114.58 121.47 2oq3 h GLU 137 Ca -0.29 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2oq3 h GLU 137 Cb 1.26 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2oq3 h GLU 137 CO 0.37 0.07 0.10 -0.22 -1.00 0.00 0.00 179.01 178.34 2oq3 h LYS 138 N 0.12 0.69 -0.42 2.33 1.63 -1.97 0.95 116.57 119.90 2oq3 h LYS 138 Ca 0.12 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 2oq3 h LYS 138 Cb 0.34 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 2oq3 h LYS 138 CO -0.01 0.70 -0.19 0.37 -3.45 0.00 0.00 179.45 176.86 2oq3 h GLN 139 N 0.56 0.82 -0.40 1.90 4.15 -1.82 -0.50 115.11 119.82 2oq3 h GLN 139 Ca 0.13 -0.32 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 2oq3 h GLN 139 Cb 0.32 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2oq3 h GLN 139 CO 0.00 0.95 0.25 -0.07 -1.93 0.00 0.00 178.83 178.03 2oq3 h LEU 140 N 0.72 0.48 -0.92 -2.39 3.38 -1.20 -2.95 115.31 112.44 2oq3 h LEU 140 Ca 0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2oq3 h LEU 140 Cb 0.71 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2oq3 h LEU 140 CO 0.05 0.38 0.27 0.00 0.09 0.00 0.00 178.44 179.23 2oq3 h ALA 141 N 1.12 1.14 -0.80 1.53 0.00 -0.45 -2.53 119.26 119.27 2oq3 h ALA 141 Ca 0.15 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2oq3 h ALA 141 Cb -0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 2oq3 h ALA 141 CO -0.03 0.62 0.48 0.22 0.00 0.00 0.00 179.25 180.54 2oq3 h ASP 142 N 1.04 0.73 -0.12 0.00 3.58 -0.94 -0.32 116.42 120.38 2oq3 h ASP 142 Ca 0.24 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.63 2oq3 h ASP 142 Cb 0.21 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2oq3 h ASP 142 CO -0.02 0.45 -0.20 0.40 -2.88 0.00 0.00 179.24 176.99 2oq3 h ILE 143 N 0.85 1.26 -0.03 2.25 2.04 -1.30 -0.11 117.51 122.47 2oq3 h ILE 143 Ca 0.36 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2oq3 h ILE 143 Cb 0.23 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2oq3 h ILE 143 CO -0.19 0.39 0.01 0.40 0.00 0.00 0.00 178.15 178.75 2oq3 h ILE 144 N 0.48 1.19 -0.15 -0.67 1.08 -1.05 -3.03 117.51 115.36 2oq3 h ILE 144 Ca 0.08 -0.57 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 2oq3 h ILE 144 Cb 0.62 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 2oq3 h ILE 144 CO 0.04 0.15 0.10 0.28 -0.69 0.00 0.00 178.15 178.04 2oq3 h SER 145 N -0.17 0.06 0.53 1.72 0.02 -0.57 -1.21 113.55 113.93 2oq3 h SER 145 Ca 0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 145 Cb 0.24 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2oq3 h SER 145 CO 0.00 0.04 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.58 2oq3 h ARG 146 N 0.07 0.00 -0.00 3.45 2.43 -0.90 -3.48 114.38 115.95 2oq3 h ARG 146 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2oq3 h ARG 146 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2oq3 h ARG 146 CO -0.01 0.06 0.00 0.41 -1.51 0.00 0.00 179.97 178.93