#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxt s LYS 2 N 0.00 3.03 0.10 2.12 -0.14 -1.26 -5.07 119.74 118.52 2jxt s LYS 2 Ca 0.00 -2.02 -0.21 0.00 -1.36 0.00 0.00 55.97 52.38 2jxt s LYS 2 Cb 0.00 -4.21 -0.07 0.00 -1.68 0.00 0.00 37.83 31.87 2jxt s LYS 2 CO 0.00 -1.28 0.64 0.00 -0.76 0.00 0.00 175.35 173.96 2jxt s MET 3 N 0.98 4.33 -0.04 1.68 0.23 -1.26 -5.08 119.30 120.14 2jxt s MET 3 Ca 0.09 0.88 -0.01 0.00 -1.03 0.00 0.00 55.69 55.62 2jxt s MET 3 Cb -0.22 -3.26 0.03 0.00 -1.53 0.00 0.00 34.83 29.85 2jxt s MET 3 CO -0.02 0.59 0.02 0.21 -2.03 0.00 0.00 175.02 173.79 2jxt s LYS 4 N -1.02 0.20 0.13 3.16 2.20 -1.26 -5.12 119.74 118.02 2jxt s LYS 4 Ca 0.31 0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.80 2jxt s LYS 4 Cb -0.21 -0.55 -0.10 0.00 -1.51 0.00 0.00 37.83 35.46 2jxt s LYS 4 CO 0.21 -0.23 1.82 -0.08 -0.36 0.00 0.00 175.35 176.72 2jxt s THR 5 N 1.54 2.51 0.74 3.43 -1.32 -1.26 -4.78 115.64 116.49 2jxt s THR 5 Ca -0.03 0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.41 2jxt s THR 5 Cb -0.13 -3.03 0.06 0.00 -1.51 0.00 0.00 72.50 67.89 2jxt s THR 5 CO -0.03 0.00 1.07 -0.54 -2.21 0.00 0.00 174.62 172.91 2jxt s LYS 6 N 2.66 2.18 -0.23 7.08 1.02 0.88 -4.78 119.74 128.55 2jxt s LYS 6 Ca 0.81 -0.07 -0.03 0.00 0.02 0.00 0.00 55.97 56.69 2jxt s LYS 6 Cb -0.46 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2jxt s LYS 6 CO 0.36 -1.33 -0.04 0.42 -0.92 0.00 0.00 175.35 173.84 2jxt s ILE 7 N -3.36 3.21 -0.22 2.17 1.09 -1.24 -0.30 121.20 122.55 2jxt s ILE 7 Ca 0.60 -0.70 -0.06 0.00 -1.10 0.00 0.00 60.65 59.40 2jxt s ILE 7 Cb -0.11 -2.53 -0.02 0.00 -1.06 0.00 0.00 42.46 38.74 2jxt s ILE 7 CO 0.47 0.33 0.01 -0.36 -0.10 0.00 0.00 174.94 175.29 2jxt s PHE 8 N 1.43 3.04 -0.99 3.97 0.08 0.56 -0.59 117.98 125.47 2jxt s PHE 8 Ca 0.04 -0.54 -0.17 0.00 0.12 0.00 0.00 56.93 56.37 2jxt s PHE 8 Cb -0.15 -2.14 0.15 0.00 -0.57 0.00 0.00 43.02 40.31 2jxt s PHE 8 CO -0.04 -0.34 1.18 0.50 -0.10 0.00 0.00 175.22 176.42 2jxt s ARG 9 N 1.30 3.73 0.10 0.44 3.52 0.47 -1.76 118.95 126.76 2jxt s ARG 9 Ca 0.04 -2.04 -0.24 0.00 -0.13 0.00 0.00 55.73 53.36 2jxt s ARG 9 Cb -0.15 -4.91 -0.07 0.00 -1.56 0.00 0.00 34.95 28.27 2jxt s ARG 9 CO 0.01 -1.73 0.72 0.08 -0.81 0.00 0.00 175.30 173.57 2jxt s VAL 10 N 2.15 4.60 -0.17 7.11 1.01 0.75 -3.52 120.40 132.33 2jxt s VAL 10 Ca 0.34 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 2jxt s VAL 10 Cb -0.05 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2jxt s VAL 10 CO -0.07 0.47 -0.02 -0.75 0.00 0.00 0.00 175.10 174.73 2jxt s LYS 11 N -0.71 3.67 0.00 2.72 2.47 0.25 -0.13 119.74 128.01 2jxt s LYS 11 Ca 0.35 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 54.25 2jxt s LYS 11 Cb -0.21 -2.97 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 2jxt s LYS 11 CO 0.23 0.19 0.00 0.41 0.16 0.00 0.00 175.35 176.34 2jxt n GLY 12 N 3.71 2.92 2.94 5.54 0.00 -0.08 -0.56 105.19 119.66 2jxt n GLY 12 Ca -0.17 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2jxt n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxt s LYS 13 N 0.46 0.21 0.05 1.61 1.02 0.40 0.29 119.74 123.80 2jxt s LYS 13 Ca 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 55.97 55.70 2jxt s LYS 13 Cb 0.00 -0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 2jxt s LYS 13 CO 0.00 -0.01 -0.16 -0.59 -0.92 0.00 0.00 175.35 173.67 2jxt s PHE 14 N -0.77 1.42 -0.07 3.18 -0.71 -0.14 -0.31 117.98 120.58 2jxt s PHE 14 Ca -0.08 -0.38 -0.29 0.00 -1.04 0.00 0.00 56.93 55.15 2jxt s PHE 14 Cb -0.05 -0.83 -0.02 0.00 -1.21 0.00 0.00 43.02 40.90 2jxt s PHE 14 CO -0.00 0.07 0.97 -1.17 -1.34 0.00 0.00 175.22 173.74 2jxt s LEU 15 N -1.29 4.28 -0.23 -1.99 1.98 -0.02 -0.80 118.68 120.62 2jxt s LEU 15 Ca 0.03 1.52 -0.08 0.00 -2.89 0.00 0.00 54.13 52.71 2jxt s LEU 15 Cb -0.09 -3.51 0.10 0.00 0.66 0.00 0.00 46.19 43.36 2jxt s LEU 15 CO 0.02 -0.36 0.50 -0.32 -1.89 0.00 0.00 176.35 174.29 2jxt s MET 16 N 1.63 0.41 -1.20 1.98 1.75 0.18 -4.94 119.30 119.11 2jxt s MET 16 Ca 0.48 1.17 -0.01 0.00 -1.25 0.00 0.00 55.69 56.08 2jxt s MET 16 Cb -0.19 0.51 0.00 0.00 2.84 0.00 0.00 34.83 37.99 2jxt s MET 16 CO 0.21 -0.23 1.01 0.41 -0.65 0.00 0.00 175.02 175.76 2jxt n GLY 17 N 5.39 -0.37 2.90 2.11 0.00 -1.26 -2.33 105.19 111.62 2jxt n GLY 17 Ca -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2jxt n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jxt n ASP 18 N -3.08 -5.60 -4.28 1.61 8.00 -1.26 -4.95 116.55 107.00 2jxt n ASP 18 Ca -0.24 0.05 -0.26 0.00 0.71 0.00 0.00 54.79 55.04 2jxt n ASP 18 Cb 0.65 -3.44 -0.14 0.00 -0.02 0.00 0.00 41.12 38.18 2jxt n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jxt s LYS 19 N -2.05 1.40 -0.56 -1.24 1.02 -0.99 -5.10 119.74 112.23 2jxt s LYS 19 Ca 0.00 -1.05 -0.20 0.00 0.02 0.00 0.00 55.97 54.75 2jxt s LYS 19 Cb 0.00 -1.59 0.07 0.00 -0.52 0.00 0.00 37.83 35.80 2jxt s LYS 19 CO 0.00 0.40 0.72 -0.51 -0.92 0.00 0.00 175.35 175.04 2jxt s LEU 20 N -1.41 4.98 -0.20 3.17 1.43 -1.26 -0.65 118.68 124.74 2jxt s LEU 20 Ca 0.08 -1.07 -0.24 0.00 -1.03 0.00 0.00 54.13 51.88 2jxt s LEU 20 Cb -0.09 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 2jxt s LEU 20 CO 0.03 -1.07 0.79 -1.10 0.23 0.00 0.00 176.35 175.23 2jxt s GLN 21 N 2.94 4.24 -0.21 1.70 1.11 0.02 -4.80 119.66 124.67 2jxt s GLN 21 Ca 0.16 0.91 -0.29 0.00 0.01 0.00 0.00 55.36 56.15 2jxt s GLN 21 Cb -0.20 -3.60 -0.02 0.00 -1.01 0.00 0.00 33.01 28.18 2jxt s GLN 21 CO 0.10 -0.37 1.50 -1.25 0.01 0.00 0.00 175.29 175.28 2jxt s PRO 22 N 2.34 3.94 0.06 2.91 0.04 -1.26 -0.96 135.00 142.06 2jxt s PRO 22 Ca 0.35 1.64 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2jxt s PRO 22 Cb -0.16 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2jxt s PRO 22 CO 0.10 -1.11 0.15 -0.59 0.04 0.00 0.00 177.00 175.59 2jxt s PHE 23 N 4.61 3.38 -0.42 0.56 -0.12 0.15 -4.93 117.98 121.21 2jxt s PHE 23 Ca 0.66 0.18 0.04 0.00 -0.05 0.00 0.00 56.93 57.76 2jxt s PHE 23 Cb -0.24 -1.71 0.11 0.00 -0.63 0.00 0.00 43.02 40.56 2jxt s PHE 23 CO 0.26 0.56 0.15 0.99 -0.05 0.00 0.00 175.22 177.13 2jxt s THR 24 N -1.44 2.32 -0.24 -4.49 2.01 -1.26 -0.90 115.64 111.63 2jxt s THR 24 Ca 0.32 -2.73 -0.09 0.00 0.31 0.00 0.00 61.69 59.50 2jxt s THR 24 Cb -0.13 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 2jxt s THR 24 CO 0.25 -0.70 0.13 -0.54 -0.69 0.00 0.00 174.62 173.07 2jxt s LYS 25 N 0.40 3.92 -0.22 4.92 -0.14 0.82 -4.89 119.74 124.56 2jxt s LYS 25 Ca 0.14 -0.35 -0.18 0.00 -1.36 0.00 0.00 55.97 54.22 2jxt s LYS 25 Cb -0.22 -3.47 -0.03 0.00 -1.68 0.00 0.00 37.83 32.43 2jxt s LYS 25 CO -0.05 -0.03 0.53 -1.21 -0.76 0.00 0.00 175.35 173.83 2jxt s GLU 26 N 1.26 4.16 0.08 1.68 2.02 -1.26 -0.18 118.70 126.47 2jxt s GLU 26 Ca 0.06 0.40 -0.07 0.00 0.02 0.00 0.00 54.97 55.38 2jxt s GLU 26 Cb -0.14 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 2jxt s GLU 26 CO 0.05 -0.21 0.15 -0.48 0.02 0.00 0.00 175.26 174.79 2jxt s LEU 27 N 1.85 1.59 -0.17 1.80 2.34 -0.72 -4.91 118.68 120.46 2jxt s LEU 27 Ca 0.24 -0.72 -0.12 0.00 0.06 0.00 0.00 54.13 53.58 2jxt s LEU 27 Cb -0.15 0.89 -0.05 0.00 -0.56 0.00 0.00 46.19 46.32 2jxt s LEU 27 CO 0.09 -0.71 0.23 0.54 -1.06 0.00 0.00 176.35 175.44 2jxt s ASN 28 N -2.88 6.36 -0.00 1.48 4.22 -1.26 -0.32 114.94 122.54 2jxt s ASN 28 Ca 0.06 0.42 -0.21 0.00 -2.14 0.00 0.00 52.86 50.99 2jxt s ASN 28 Cb 0.05 -2.15 0.04 0.00 1.28 0.00 0.00 41.25 40.48 2jxt s ASN 28 CO -0.10 0.15 0.46 0.00 -2.04 0.00 0.00 177.10 175.56 2jxt s ALA 29 N 0.32 -1.16 0.19 3.54 0.00 0.59 -4.91 121.76 120.32 2jxt s ALA 29 Ca 0.14 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 2jxt s ALA 29 Cb -0.12 0.16 0.11 0.00 0.00 0.00 0.00 23.12 23.27 2jxt s ALA 29 CO 0.02 -0.37 1.48 0.82 0.00 0.00 0.00 175.76 177.71 2jxt h ILE 30 N 3.29 1.35 -2.89 0.00 5.03 -1.86 0.25 117.51 122.68 2jxt h ILE 30 Ca -0.29 -1.95 0.08 0.00 -0.12 0.00 0.00 64.86 62.58 2jxt h ILE 30 Cb 1.18 1.93 -0.05 0.00 -3.03 0.00 0.00 36.82 36.85 2jxt h ILE 30 CO 0.41 0.59 0.28 0.00 -0.68 0.00 0.00 178.15 178.75 2jxt s ARG 31 N -3.82 1.73 0.35 2.37 1.70 -1.26 -4.63 118.95 115.39 2jxt s ARG 31 Ca -0.06 -0.97 0.09 0.00 -0.47 0.00 0.00 55.73 54.31 2jxt s ARG 31 Cb 0.11 0.58 0.82 0.00 -0.57 0.00 0.00 34.95 35.88 2jxt s ARG 31 CO 0.84 -0.79 1.84 0.93 -1.08 0.00 0.00 175.30 177.03 2jxt h GLU 32 N 2.00 0.67 -0.03 3.89 5.08 -2.01 -0.11 114.58 124.07 2jxt h GLU 32 Ca -0.21 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2jxt h GLU 32 Cb 1.25 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2jxt h GLU 32 CO 0.25 0.45 0.03 0.93 -1.00 0.00 0.00 179.01 179.67 2jxt h GLU 33 N 0.69 0.00 0.19 2.33 3.07 -2.01 -1.73 114.58 117.12 2jxt h GLU 33 Ca 0.49 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 59.04 2jxt h GLU 33 Cb 0.83 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.77 2jxt h GLU 33 CO -0.25 0.00 -1.35 0.93 -1.40 0.00 0.00 179.01 176.94 2jxt h GLU 34 N 0.00 0.58 -0.63 2.33 4.39 -1.42 -3.38 114.58 116.45 2jxt h GLU 34 Ca 0.01 -0.88 0.12 0.00 0.34 0.00 0.00 59.36 58.96 2jxt h GLU 34 Cb 0.08 0.31 -0.09 0.00 -0.10 0.00 0.00 28.75 28.95 2jxt h GLU 34 CO -0.00 1.41 0.14 0.82 -1.16 0.00 0.00 179.01 180.22 2jxt h ILE 35 N 0.20 0.62 0.03 3.13 2.04 -1.18 -1.93 117.51 120.42 2jxt h ILE 35 Ca -0.22 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2jxt h ILE 35 Cb 2.04 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2jxt h ILE 35 CO 0.26 0.05 -0.38 1.88 0.00 0.00 0.00 178.15 179.95 2jxt h TYR 36 N 0.27 -1.07 -0.42 1.37 0.05 -1.74 -0.25 116.97 115.18 2jxt h TYR 36 Ca 0.34 0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.20 2jxt h TYR 36 Cb 0.51 0.47 -0.05 0.00 1.01 0.00 0.00 36.73 38.67 2jxt h TYR 36 CO -0.25 -0.47 0.15 0.93 -1.05 0.00 0.00 178.16 177.46 2jxt h GLU 37 N -0.56 0.30 -0.14 4.88 4.39 -1.66 -2.31 114.58 119.49 2jxt h GLU 37 Ca 0.05 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2jxt h GLU 37 Cb 0.63 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2jxt h GLU 37 CO -0.28 0.20 0.06 0.00 -1.16 0.00 0.00 179.01 177.83 2jxt h ARG 38 N 0.31 0.20 0.46 2.33 2.47 -0.86 -1.78 114.38 117.51 2jxt h ARG 38 Ca 0.19 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.86 2jxt h ARG 38 Cb 0.18 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2jxt h ARG 38 CO -0.20 0.27 -0.22 -0.07 0.56 0.00 0.00 179.97 180.31 2jxt h LEU 39 N 0.08 -0.52 -1.98 3.04 3.38 -0.98 0.15 115.31 118.48 2jxt h LEU 39 Ca 0.05 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2jxt h LEU 39 Cb 0.14 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2jxt h LEU 39 CO -0.01 -0.25 0.32 1.88 0.09 0.00 0.00 178.44 180.48 2jxt h TYR 40 N -0.78 0.03 0.12 1.13 0.05 -1.45 -0.80 116.97 115.27 2jxt h TYR 40 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2jxt h TYR 40 Cb 0.55 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2jxt h TYR 40 CO -0.01 0.01 -0.06 1.03 -1.05 0.00 0.00 178.16 178.08 2jxt h SER 41 N 0.03 -0.14 -0.25 3.88 0.87 -1.06 -2.92 113.55 113.95 2jxt h SER 41 Ca 0.21 -0.42 0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2jxt h SER 41 Cb 0.83 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 2jxt h SER 41 CO -0.01 0.45 0.08 -0.08 -0.53 0.00 0.00 176.83 176.75 2jxt h GLU 42 N -0.85 0.19 -0.84 2.24 4.81 0.09 0.15 114.58 120.37 2jxt h GLU 42 Ca -0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jxt h GLU 42 Cb 0.55 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2jxt h GLU 42 CO 0.03 0.13 0.52 0.74 -0.73 0.00 0.00 179.01 179.70 2jxt h PHE 43 N 0.20 1.08 0.00 0.92 0.04 -1.34 0.45 116.94 118.30 2jxt h PHE 43 Ca 0.11 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 2jxt h PHE 43 Cb 0.08 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 2jxt h PHE 43 CO -0.13 0.71 -0.18 0.78 -0.60 0.00 0.00 178.31 178.89 2jxt h GLY 44 N 1.16 0.00 0.00 -1.45 0.00 -1.06 0.15 103.07 101.87 2jxt h GLY 44 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2jxt h GLY 44 CO -0.06 0.00 -0.01 1.76 0.00 0.00 0.00 176.54 178.23 2jxt h SER 45 N 0.00 0.00 0.82 0.19 0.02 0.61 -2.85 113.55 112.35 2jxt h SER 45 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jxt h SER 45 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2jxt h SER 45 CO 0.02 0.10 -0.06 2.29 -1.14 0.00 0.00 176.83 178.05 2jxt n LYS 46 N -2.55 0.14 0.00 3.45 2.85 0.02 -3.80 118.16 118.26 2jxt n LYS 46 Ca -0.00 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2jxt n LYS 46 Cb 0.01 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 2jxt n LYS 46 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jxt n HIS 47 N -1.42 0.00 -2.11 5.58 8.25 -0.53 -5.03 115.22 119.96 2jxt n HIS 47 Ca 0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.37 2jxt n HIS 47 Cb 0.31 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 2jxt n HIS 47 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jxt n ARG 48 N -0.08 -1.70 -3.27 -0.41 1.74 0.41 -4.91 116.66 108.45 2jxt n ARG 48 Ca 0.00 0.95 -0.39 0.00 -0.77 0.00 0.00 57.85 57.64 2jxt n ARG 48 Cb 0.13 -5.50 -0.07 0.00 -1.02 0.00 0.00 32.46 26.00 2jxt n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jxt s VAL 49 N -2.79 5.12 0.65 1.55 1.01 -0.69 -4.85 120.40 120.40 2jxt s VAL 49 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 2jxt s VAL 49 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2jxt s VAL 49 CO 0.00 0.18 1.07 -2.16 0.00 0.00 0.00 175.10 174.19 2jxt s PRO 50 N 1.61 3.06 0.64 2.72 0.04 -1.26 -3.14 135.00 138.67 2jxt s PRO 50 Ca 0.23 1.15 0.40 0.00 0.04 0.00 0.00 61.00 62.82 2jxt s PRO 50 Cb -0.15 -2.00 2.21 0.00 0.04 0.00 0.00 34.50 34.60 2jxt s PRO 50 CO 0.09 -1.01 2.33 0.07 0.04 0.00 0.00 177.00 178.52 2jxt h ARG 51 N -0.08 0.00 -0.03 4.56 0.11 -1.91 -0.24 114.38 116.79 2jxt h ARG 51 Ca -0.46 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.63 2jxt h ARG 51 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 2jxt h ARG 51 CO 0.56 0.00 0.15 1.03 0.10 0.00 0.00 179.97 181.82 2jxt h SER 52 N 0.00 0.00 -0.07 0.08 0.87 -2.01 -1.80 113.55 110.62 2jxt h SER 52 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jxt h SER 52 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2jxt h SER 52 CO 0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2jxt n LYS 53 N -3.16 2.18 -5.01 2.24 4.76 -0.10 -5.00 118.16 114.07 2jxt n LYS 53 Ca -0.02 -2.24 -0.27 0.00 -2.87 0.00 0.00 58.31 52.91 2jxt n LYS 53 Cb 0.22 -1.37 -0.16 0.00 -1.84 0.00 0.00 35.03 31.88 2jxt n LYS 53 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2jxt s VAL 54 N -2.13 1.62 -0.03 -0.18 1.01 -0.68 -0.84 120.40 119.18 2jxt s VAL 54 Ca 0.23 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2jxt s VAL 54 Cb 0.19 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2jxt s VAL 54 CO 0.04 0.46 -0.00 -0.75 0.00 0.00 0.00 175.10 174.85 2jxt s LYS 55 N -0.46 0.30 -0.10 2.72 2.47 0.58 -4.92 119.74 120.33 2jxt s LYS 55 Ca 0.07 0.06 -0.12 0.00 -1.56 0.00 0.00 55.97 54.42 2jxt s LYS 55 Cb -0.08 -0.46 -0.05 0.00 -1.46 0.00 0.00 37.83 35.78 2jxt s LYS 55 CO -0.01 -0.12 0.29 0.42 0.16 0.00 0.00 175.35 176.10 2jxt s ILE 56 N 0.91 5.27 -0.05 5.43 1.01 -1.26 -0.45 121.20 132.06 2jxt s ILE 56 Ca -0.09 0.56 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 2jxt s ILE 56 Cb -0.13 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2jxt s ILE 56 CO -0.02 0.50 -0.05 -0.62 0.00 0.00 0.00 174.94 174.76 2jxt n GLU 57 N 2.63 0.10 -3.85 2.79 1.02 0.28 -4.94 120.64 118.67 2jxt n GLU 57 Ca -0.14 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 56.92 2jxt n GLU 57 Cb 0.53 -0.82 -0.10 0.00 -0.02 0.00 0.00 31.44 31.03 2jxt n GLU 57 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2jxt s GLU 58 N -2.09 0.49 -0.04 3.49 2.12 0.14 -5.00 118.70 117.81 2jxt s GLU 58 Ca -0.06 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.00 2jxt s GLU 58 Cb 0.02 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.63 2jxt s GLU 58 CO 0.09 -0.12 -0.12 0.42 -0.54 0.00 0.00 175.26 175.00 2jxt s ILE 59 N -1.22 1.04 -0.01 -3.70 1.01 -1.26 -0.58 121.20 116.47 2jxt s ILE 59 Ca -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2jxt s ILE 59 Cb -0.07 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2jxt s ILE 59 CO 0.02 0.32 -0.02 -0.70 0.00 0.00 0.00 174.94 174.55 2jxt s GLU 60 N 0.36 0.26 -0.12 2.79 2.56 -1.23 -5.02 118.70 118.30 2jxt s GLU 60 Ca -0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 54.97 54.74 2jxt s GLU 60 Cb -0.12 -0.28 -0.04 0.00 2.00 0.00 0.00 34.13 35.68 2jxt s GLU 60 CO 0.02 0.03 0.17 -2.00 -0.56 0.00 0.00 175.26 172.91 2jxt s GLU 61 N 0.14 3.57 0.27 4.30 2.12 -1.26 -0.39 118.70 127.45 2jxt s GLU 61 Ca -0.01 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.25 2jxt s GLU 61 Cb -0.04 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2jxt s GLU 61 CO -0.00 0.72 0.13 0.96 -0.54 0.00 0.00 175.26 176.52 2jxt s ILE 62 N -0.88 0.39 0.39 -3.70 -4.36 0.24 -4.95 121.20 108.33 2jxt s ILE 62 Ca 0.15 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 2jxt s ILE 62 Cb -0.12 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2jxt s ILE 62 CO 0.04 0.00 0.67 -0.44 0.24 0.00 0.00 174.94 175.45 2jxt s SER 63 N -3.32 6.36 0.14 4.36 0.01 -1.26 -3.71 113.70 116.27 2jxt s SER 63 Ca 0.37 0.80 0.09 0.00 1.31 0.00 0.00 55.95 58.52 2jxt s SER 63 Cb 0.06 -2.18 0.51 0.00 0.21 0.00 0.00 66.02 64.62 2jxt s SER 63 CO 0.15 -0.39 1.27 -0.81 0.41 0.00 0.00 173.24 173.88 2jxt n PRO 64 N -1.66 0.06 0.00 12.44 -0.04 -1.26 -0.43 135.00 144.11 2jxt n PRO 64 Ca -0.01 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 2jxt n PRO 64 Cb 0.55 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2jxt n PRO 64 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jxt n GLU 65 N -1.82 0.87 -0.26 0.54 0.28 -1.26 -4.12 120.64 114.86 2jxt n GLU 65 Ca -0.01 -0.71 0.11 0.00 -0.16 0.00 0.00 57.16 56.39 2jxt n GLU 65 Cb 0.03 -1.49 0.25 0.00 1.43 0.00 0.00 31.44 31.67 2jxt n GLU 65 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2jxt n GLU 66 N -0.44 2.58 -3.53 3.44 -0.58 0.43 -4.98 120.64 117.56 2jxt n GLU 66 Ca 0.08 -2.41 -0.37 0.00 -0.42 0.00 0.00 57.16 54.03 2jxt n GLU 66 Cb 0.43 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.72 2jxt n GLU 66 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jxt s VAL 67 N -1.23 5.18 -0.06 2.62 1.01 -1.22 -4.91 120.40 121.79 2jxt s VAL 67 Ca 0.41 0.71 0.03 0.00 0.00 0.00 0.00 61.98 63.13 2jxt s VAL 67 Cb 0.23 -3.67 -0.25 0.00 0.00 0.00 0.00 36.38 32.69 2jxt s VAL 67 CO 0.31 0.50 0.61 1.56 0.00 0.00 0.00 175.10 178.07 2jxt h GLN 68 N 5.53 0.14 -6.33 2.72 7.50 -1.94 -3.46 115.11 119.27 2jxt h GLN 68 Ca -0.48 -0.24 -0.54 0.00 0.50 0.00 0.00 58.65 57.89 2jxt h GLN 68 Cb 1.20 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.82 2jxt h GLN 68 CO 0.67 0.87 1.05 0.34 -1.50 0.00 0.00 178.83 180.25 2jxt s ASP 69 N -6.60 6.66 0.39 1.46 -1.08 -1.26 -4.91 116.67 111.33 2jxt s ASP 69 Ca -0.11 2.31 0.18 0.00 -0.52 0.00 0.00 52.55 54.41 2jxt s ASP 69 Cb 0.07 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.77 2jxt s ASP 69 CO 0.81 -0.90 1.79 1.55 0.52 0.00 0.00 175.17 178.94 2jxt h PRO 70 N 9.11 0.00 0.12 4.34 0.13 -1.99 -2.13 132.00 141.58 2jxt h PRO 70 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2jxt h PRO 70 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jxt h PRO 70 CO 0.94 0.35 -0.06 0.28 -0.23 0.00 0.00 178.00 179.29 2jxt h VAL 71 N 0.00 0.94 -0.73 1.56 2.07 -1.99 -2.20 116.25 115.89 2jxt h VAL 71 Ca -0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2jxt h VAL 71 Cb 0.79 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2jxt h VAL 71 CO 0.05 0.26 0.47 0.58 0.02 0.00 0.00 177.57 178.94 2jxt h VAL 72 N -0.87 1.20 0.59 2.57 2.07 -1.91 -1.04 116.25 118.85 2jxt h VAL 72 Ca -0.02 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2jxt h VAL 72 Cb 0.55 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2jxt h VAL 72 CO 0.03 0.19 -0.39 0.50 0.02 0.00 0.00 177.57 177.92 2jxt h LYS 73 N 0.99 -0.90 -0.38 1.57 3.64 -1.46 -2.91 116.57 117.11 2jxt h LYS 73 Ca 0.27 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2jxt h LYS 73 Cb -0.08 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2jxt h LYS 73 CO -0.05 -0.60 0.18 0.00 -2.27 0.00 0.00 179.45 176.70 2jxt h ALA 74 N -0.64 1.59 -0.15 5.00 0.00 -1.32 -1.30 119.26 122.44 2jxt h ALA 74 Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jxt h ALA 74 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jxt h ALA 74 CO 0.05 0.33 0.11 1.25 0.00 0.00 0.00 179.25 180.99 2jxt h LEU 75 N 0.53 0.09 0.10 0.00 6.46 -1.02 -2.41 115.31 119.07 2jxt h LEU 75 Ca 0.14 -0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.55 2jxt h LEU 75 Cb 0.07 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2jxt h LEU 75 CO -0.02 0.06 -1.90 0.52 -0.62 0.00 0.00 178.44 176.49 2jxt n VAL 76 N -4.51 1.74 -0.04 1.05 0.31 -0.75 -4.26 118.33 111.88 2jxt n VAL 76 Ca 0.00 -0.56 0.14 0.00 -0.01 0.00 0.00 64.34 63.92 2jxt n VAL 76 Cb 0.16 -1.78 0.57 0.00 -0.91 0.00 0.00 33.84 31.88 2jxt n VAL 76 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2jxt h GLN 77 N -0.10 0.24 -0.44 5.55 4.20 -1.00 -0.83 115.11 122.73 2jxt h GLN 77 Ca -0.42 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.23 2jxt h GLN 77 Cb 1.92 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.62 2jxt h GLN 77 CO 0.04 0.16 0.05 0.07 -0.67 0.00 0.00 178.83 178.48 2jxt h ARG 78 N 0.25 0.69 0.00 1.46 0.11 -1.62 -1.58 114.38 113.69 2jxt h ARG 78 Ca 0.25 -0.15 -0.03 0.00 0.10 0.00 0.00 59.98 60.15 2jxt h ARG 78 Cb 0.67 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 2jxt h ARG 78 CO -0.05 0.67 -0.57 1.37 0.10 0.00 0.00 179.97 181.48 2jxt h LEU 79 N 0.66 0.00 -0.32 0.08 8.10 -1.38 -3.26 115.31 119.19 2jxt h LEU 79 Ca 0.14 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.06 2jxt h LEU 79 Cb 0.33 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2jxt h LEU 79 CO 0.01 0.14 -0.08 -0.33 -4.11 0.00 0.00 178.44 174.07 2jxt h GLU 80 N 0.00 0.62 -3.22 0.17 4.39 -0.97 -3.42 114.58 112.15 2jxt h GLU 80 Ca -0.02 -0.24 -0.53 0.00 0.34 0.00 0.00 59.36 58.91 2jxt h GLU 80 Cb 1.12 -0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.34 2jxt h GLU 80 CO 0.02 0.80 -0.77 -3.38 -1.16 0.00 0.00 179.01 174.52 2jxt s HIS 81 N -4.78 0.88 -1.18 4.33 -3.43 -0.63 -5.06 115.29 105.42 2jxt s HIS 81 Ca -0.13 -1.07 -0.16 0.00 -0.80 0.00 0.00 55.06 52.91 2jxt s HIS 81 Cb 0.09 -1.15 0.14 0.00 -1.43 0.00 0.00 32.58 30.23 2jxt s HIS 81 CO 0.79 -0.76 1.46 -1.58 -2.00 0.00 0.00 174.74 172.65 2jxt s HIS 82 N 1.91 3.27 -0.30 0.38 2.46 -1.23 -4.66 115.29 117.11 2jxt s HIS 82 Ca 0.06 -1.89 -0.12 0.00 0.47 0.00 0.00 55.06 53.59 2jxt s HIS 82 Cb -0.17 -4.42 0.16 0.00 -0.13 0.00 0.00 32.58 28.03 2jxt s HIS 82 CO -0.24 -1.51 0.86 -1.58 -2.47 0.00 0.00 174.74 169.80 2jxt s HIS 83 N 2.39 -0.96 -0.30 3.88 5.04 -1.26 -5.12 115.29 118.96 2jxt s HIS 83 Ca 0.44 1.51 -0.28 0.00 -1.54 0.00 0.00 55.06 55.18 2jxt s HIS 83 Cb -0.02 0.52 -0.03 0.00 0.04 0.00 0.00 32.58 33.09 2jxt s HIS 83 CO 0.00 -0.49 2.02 -1.01 -2.34 0.00 0.00 174.74 172.92 2jxt s HIS 84 N 2.67 1.48 -0.01 3.88 3.76 -1.26 -4.95 115.29 120.87 2jxt s HIS 84 Ca -0.01 0.64 -0.06 0.00 -0.15 0.00 0.00 55.06 55.49 2jxt s HIS 84 Cb -0.09 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 29.59 2jxt s HIS 84 CO -0.18 -3.40 0.12 -1.58 -0.85 0.00 0.00 174.74 168.85 2jxt s HIS 85 N 7.86 0.03 -1.15 1.40 5.04 -1.26 -5.31 115.29 121.90 2jxt s HIS 85 Ca 0.89 -0.08 0.09 0.00 -1.54 0.00 0.00 55.06 54.43 2jxt s HIS 85 Cb -0.26 -0.04 0.07 0.00 0.04 0.00 0.00 32.58 32.38 2jxt s HIS 85 CO 0.33 -0.23 0.79 0.72 -2.34 0.00 0.00 174.74 174.01