#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxt n LYS 2 N 0.00 2.57 -2.86 0.03 4.76 -1.26 -4.96 118.16 116.43 2jxt n LYS 2 Ca 0.00 -2.60 -0.39 0.00 -2.87 0.00 0.00 58.31 52.45 2jxt n LYS 2 Cb 0.00 -3.31 -0.06 0.00 -1.84 0.00 0.00 35.03 29.82 2jxt n LYS 2 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2jxt s MET 3 N 4.07 4.64 0.61 1.97 -2.45 -1.26 -5.07 119.30 121.81 2jxt s MET 3 Ca 0.52 1.28 0.02 0.00 -1.25 0.00 0.00 55.69 56.27 2jxt s MET 3 Cb 0.10 -3.10 0.08 0.00 1.25 0.00 0.00 34.83 33.16 2jxt s MET 3 CO 0.01 0.46 0.85 0.15 1.05 0.00 0.00 175.02 177.54 2jxt s LYS 4 N -1.50 2.17 0.21 4.11 3.01 -1.26 -5.10 119.74 121.39 2jxt s LYS 4 Ca 0.42 -1.09 -0.10 0.00 -1.01 0.00 0.00 55.97 54.19 2jxt s LYS 4 Cb -0.22 -2.47 -0.07 0.00 -1.01 0.00 0.00 37.83 34.06 2jxt s LYS 4 CO 0.27 -1.00 0.54 -0.08 0.51 0.00 0.00 175.35 175.58 2jxt s THR 5 N -2.87 4.94 -0.09 2.17 -1.32 -1.26 -5.01 115.64 112.21 2jxt s THR 5 Ca 0.61 0.48 -0.18 0.00 -1.21 0.00 0.00 61.69 61.40 2jxt s THR 5 Cb -0.08 -3.63 -0.05 0.00 -1.51 0.00 0.00 72.50 67.24 2jxt s THR 5 CO 0.40 -0.03 0.47 -0.54 -2.21 0.00 0.00 174.62 172.72 2jxt s LYS 6 N -2.71 4.27 -0.25 7.08 1.02 0.68 -4.85 119.74 124.99 2jxt s LYS 6 Ca 0.46 0.46 -0.13 0.00 0.02 0.00 0.00 55.97 56.78 2jxt s LYS 6 Cb -0.12 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2jxt s LYS 6 CO 0.21 0.28 0.26 0.42 -0.92 0.00 0.00 175.35 175.60 2jxt s ILE 7 N 0.23 5.27 -0.26 2.17 1.09 -1.26 -0.24 121.20 128.21 2jxt s ILE 7 Ca 0.26 0.38 -0.05 0.00 -1.10 0.00 0.00 60.65 60.14 2jxt s ILE 7 Cb -0.16 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 2jxt s ILE 7 CO 0.11 0.27 0.02 -0.36 -0.10 0.00 0.00 174.94 174.87 2jxt s PHE 8 N 1.47 3.07 -0.98 3.97 0.08 0.53 -0.90 117.98 125.22 2jxt s PHE 8 Ca 0.12 -1.04 -0.23 0.00 0.12 0.00 0.00 56.93 55.89 2jxt s PHE 8 Cb -0.15 -2.17 -0.00 0.00 -0.57 0.00 0.00 43.02 40.13 2jxt s PHE 8 CO 0.08 -0.58 1.72 0.50 -0.10 0.00 0.00 175.22 176.84 2jxt s ARG 9 N 1.47 3.06 -0.34 0.44 3.52 0.27 -1.77 118.95 125.59 2jxt s ARG 9 Ca 0.03 -0.76 -0.20 0.00 -0.13 0.00 0.00 55.73 54.66 2jxt s ARG 9 Cb -0.16 -5.22 -0.00 0.00 -1.56 0.00 0.00 34.95 28.01 2jxt s ARG 9 CO -0.01 -2.86 0.63 0.08 -0.81 0.00 0.00 175.30 172.34 2jxt s VAL 10 N 7.68 4.90 -0.15 7.11 1.01 1.00 -2.85 120.40 139.10 2jxt s VAL 10 Ca 0.59 0.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 2jxt s VAL 10 Cb -0.03 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2jxt s VAL 10 CO -0.04 -0.28 0.29 -0.75 0.00 0.00 0.00 175.10 174.33 2jxt s LYS 11 N 2.69 4.19 0.03 2.72 2.47 0.63 -0.92 119.74 131.56 2jxt s LYS 11 Ca 0.25 0.10 -0.01 0.00 -1.56 0.00 0.00 55.97 54.74 2jxt s LYS 11 Cb -0.15 -3.40 0.01 0.00 -1.46 0.00 0.00 37.83 32.83 2jxt s LYS 11 CO 0.14 0.29 0.07 0.41 0.16 0.00 0.00 175.35 176.42 2jxt n GLY 12 N 3.22 1.80 2.91 5.54 0.00 -0.53 -0.68 105.19 117.45 2jxt n GLY 12 Ca -0.12 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.01 0.96 -0.16 1.61 1.02 0.67 0.46 119.74 122.29 2jxt s LYS 13 Ca 0.01 -0.15 -0.05 0.00 0.02 0.00 0.00 55.97 55.81 2jxt s LYS 13 Cb -0.00 -0.92 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 2jxt s LYS 13 CO 0.01 -0.06 -0.01 -0.59 -0.92 0.00 0.00 175.35 173.77 2jxt s PHE 14 N 0.87 3.09 -0.58 3.18 -0.71 -0.51 -0.78 117.98 122.54 2jxt s PHE 14 Ca -0.12 -0.20 -0.27 0.00 -1.04 0.00 0.00 56.93 55.30 2jxt s PHE 14 Cb -0.15 -1.99 0.01 0.00 -1.21 0.00 0.00 43.02 39.68 2jxt s PHE 14 CO 0.01 0.02 1.52 -1.17 -1.34 0.00 0.00 175.22 174.26 2jxt s LEU 15 N 0.35 3.35 -0.16 -1.99 1.98 0.05 -1.71 118.68 120.54 2jxt s LEU 15 Ca -0.02 0.25 0.00 0.00 -2.89 0.00 0.00 54.13 51.47 2jxt s LEU 15 Cb -0.14 -2.89 0.03 0.00 0.66 0.00 0.00 46.19 43.85 2jxt s LEU 15 CO 0.02 -1.88 -0.10 -0.32 -1.89 0.00 0.00 176.35 172.18 2jxt s MET 16 N 5.90 1.91 -0.97 1.98 1.75 0.45 -4.80 119.30 125.52 2jxt s MET 16 Ca 0.55 -0.61 -0.02 0.00 -1.25 0.00 0.00 55.69 54.36 2jxt s MET 16 Cb -0.11 -2.12 0.00 0.00 2.84 0.00 0.00 34.83 35.43 2jxt s MET 16 CO 0.23 -0.35 0.82 0.41 -0.65 0.00 0.00 175.02 175.48 2jxt n GLY 17 N 4.79 -0.19 2.67 2.11 0.00 -1.26 -2.60 105.19 110.70 2jxt n GLY 17 Ca -0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.50 -5.28 -3.99 1.61 8.00 -1.26 -4.97 116.55 108.16 2jxt n ASP 18 Ca -0.17 0.21 -0.18 0.00 0.71 0.00 0.00 54.79 55.36 2jxt n ASP 18 Cb 0.61 -3.52 -0.15 0.00 -0.02 0.00 0.00 41.12 38.05 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 -2.53 0.69 -0.38 -1.24 1.02 -1.07 -5.13 119.74 111.11 2jxt s LYS 19 Ca 0.00 -0.27 -0.21 0.00 0.02 0.00 0.00 55.97 55.51 2jxt s LYS 19 Cb 0.00 -0.67 0.01 0.00 -0.52 0.00 0.00 37.83 36.65 2jxt s LYS 19 CO 0.00 0.14 0.67 -0.51 -0.92 0.00 0.00 175.35 174.74 2jxt s LEU 20 N -0.05 4.28 -0.29 3.17 1.43 -1.26 -0.41 118.68 125.54 2jxt s LEU 20 Ca 0.01 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 2jxt s LEU 20 Cb -0.05 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2jxt s LEU 20 CO -0.00 -0.68 0.29 -1.10 0.23 0.00 0.00 176.35 175.09 2jxt s GLN 21 N 2.84 3.86 -0.28 1.70 1.11 -0.69 -4.85 119.66 123.35 2jxt s GLN 21 Ca 0.26 -0.25 -0.29 0.00 0.01 0.00 0.00 55.36 55.09 2jxt s GLN 21 Cb -0.14 -3.70 -0.01 0.00 -1.01 0.00 0.00 33.01 28.15 2jxt s GLN 21 CO 0.17 -0.30 1.46 -1.25 0.01 0.00 0.00 175.29 175.38 2jxt s PRO 22 N 1.91 3.80 0.09 2.91 0.04 -1.26 -1.42 135.00 141.08 2jxt s PRO 22 Ca 0.10 1.38 0.06 0.00 0.04 0.00 0.00 61.00 62.58 2jxt s PRO 22 Cb -0.16 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 2jxt s PRO 22 CO 0.11 -1.27 -0.04 -0.59 0.04 0.00 0.00 177.00 175.24 2jxt s PHE 23 N 4.93 2.90 -0.36 0.56 -0.71 0.17 -4.94 117.98 120.53 2jxt s PHE 23 Ca 0.64 -0.07 -0.03 0.00 -1.04 0.00 0.00 56.93 56.42 2jxt s PHE 23 Cb -0.20 -1.50 0.08 0.00 -1.21 0.00 0.00 43.02 40.19 2jxt s PHE 23 CO 0.27 0.46 0.12 0.99 -1.34 0.00 0.00 175.22 175.72 2jxt s THR 24 N -1.27 3.30 -0.29 -4.49 2.01 -1.26 -1.46 115.64 112.18 2jxt s THR 24 Ca 0.24 -1.63 -0.03 0.00 0.31 0.00 0.00 61.69 60.57 2jxt s THR 24 Cb -0.11 -3.06 0.03 0.00 0.01 0.00 0.00 72.50 69.37 2jxt s THR 24 CO 0.16 -0.39 0.01 -0.54 -0.69 0.00 0.00 174.62 173.18 2jxt s LYS 25 N 1.24 2.68 -0.69 4.92 -0.14 -0.09 -4.97 119.74 122.68 2jxt s LYS 25 Ca 0.02 -1.11 -0.19 0.00 -1.36 0.00 0.00 55.97 53.33 2jxt s LYS 25 Cb -0.21 -3.20 0.11 0.00 -1.68 0.00 0.00 37.83 32.85 2jxt s LYS 25 CO -0.02 -0.54 0.85 -1.21 -0.76 0.00 0.00 175.35 173.68 2jxt s GLU 26 N 1.34 3.21 0.17 1.68 2.02 -1.26 -0.00 118.70 125.86 2jxt s GLU 26 Ca -0.02 -1.38 0.11 0.00 0.02 0.00 0.00 54.97 53.70 2jxt s GLU 26 Cb -0.18 -4.40 -0.04 0.00 0.10 0.00 0.00 34.13 29.61 2jxt s GLU 26 CO -0.01 -1.64 -0.22 -0.48 0.02 0.00 0.00 175.26 172.94 2jxt s LEU 27 N 2.83 2.53 0.07 1.80 2.34 -0.73 -4.70 118.68 122.82 2jxt s LEU 27 Ca 0.19 -0.77 -0.19 0.00 0.06 0.00 0.00 54.13 53.41 2jxt s LEU 27 Cb -0.18 -1.29 -0.07 0.00 -0.56 0.00 0.00 46.19 44.10 2jxt s LEU 27 CO 0.03 0.13 0.56 0.54 -1.06 0.00 0.00 176.35 176.55 2jxt s ASN 28 N -2.55 7.05 0.30 1.48 4.22 -1.26 -0.35 114.94 123.83 2jxt s ASN 28 Ca 0.20 1.24 -0.19 0.00 -2.14 0.00 0.00 52.86 51.97 2jxt s ASN 28 Cb -0.09 -2.35 0.04 0.00 1.28 0.00 0.00 41.25 40.13 2jxt s ASN 28 CO 0.10 0.27 0.79 0.00 -2.04 0.00 0.00 177.10 176.23 2jxt s ALA 29 N -1.08 -1.11 -0.13 3.54 0.00 0.67 -4.93 121.76 118.73 2jxt s ALA 29 Ca 0.29 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 2jxt s ALA 29 Cb -0.19 0.76 -0.25 0.00 0.00 0.00 0.00 23.12 23.43 2jxt s ALA 29 CO 0.19 -1.02 0.38 0.82 0.00 0.00 0.00 175.76 176.12 2jxt h ILE 30 N 2.00 0.73 -3.01 0.00 5.03 -1.95 0.19 117.51 120.51 2jxt h ILE 30 Ca -0.25 -2.33 -0.05 0.00 -0.12 0.00 0.00 64.86 62.11 2jxt h ILE 30 Cb 1.25 2.49 0.00 0.00 -3.03 0.00 0.00 36.82 37.53 2jxt h ILE 30 CO 0.31 0.78 0.22 -2.11 -0.68 0.00 0.00 178.15 176.67 2jxt n ARG 31 N -3.70 1.02 -0.32 2.37 0.00 -1.26 -4.75 116.66 110.03 2jxt n ARG 31 Ca -0.31 -2.12 0.09 0.00 -0.00 0.00 0.00 57.85 55.52 2jxt n ARG 31 Cb 0.97 2.58 0.26 0.00 -0.00 0.00 0.00 32.46 36.27 2jxt n ARG 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2jxt h GLU 32 N 0.00 0.64 -0.94 2.89 3.07 -2.00 0.41 114.58 118.64 2jxt h GLU 32 Ca -0.31 -0.04 0.26 0.00 -0.50 0.00 0.00 59.36 58.77 2jxt h GLU 32 Cb 1.15 -0.15 -0.14 0.00 -0.84 0.00 0.00 28.75 28.77 2jxt h GLU 32 CO 0.39 0.43 0.45 0.93 -1.40 0.00 0.00 179.01 179.80 2jxt h GLU 33 N 0.66 0.36 -0.10 2.33 5.08 -2.03 -1.45 114.58 119.42 2jxt h GLU 33 Ca 0.51 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.63 2jxt h GLU 33 Cb 0.75 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jxt h GLU 33 CO -0.38 0.24 -0.79 0.93 -1.00 0.00 0.00 179.01 178.01 2jxt h GLU 34 N 0.37 0.61 -0.96 2.33 4.39 -1.32 -3.28 114.58 116.71 2jxt h GLU 34 Ca 0.63 -0.51 0.24 0.00 0.34 0.00 0.00 59.36 60.05 2jxt h GLU 34 Cb 1.29 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.93 2jxt h GLU 34 CO -0.57 1.13 0.52 0.82 -1.16 0.00 0.00 179.01 179.76 2jxt h ILE 35 N 0.40 0.52 0.58 3.13 2.04 -1.09 -0.40 117.51 122.69 2jxt h ILE 35 Ca -0.05 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2jxt h ILE 35 Cb 1.40 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2jxt h ILE 35 CO 0.15 0.09 -0.28 1.88 0.00 0.00 0.00 178.15 179.99 2jxt h TYR 36 N 0.52 -0.72 -0.75 1.37 0.05 -1.62 -0.98 116.97 114.83 2jxt h TYR 36 Ca 0.61 -0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.45 2jxt h TYR 36 Cb 1.16 0.24 -0.06 0.00 1.01 0.00 0.00 36.73 39.08 2jxt h TYR 36 CO -0.05 -0.45 0.43 0.93 -1.05 0.00 0.00 178.16 177.97 2jxt h GLU 37 N -0.78 0.73 0.66 4.88 4.39 -1.45 -0.70 114.58 122.32 2jxt h GLU 37 Ca -0.08 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 2jxt h GLU 37 Cb 0.60 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jxt h GLU 37 CO 0.13 0.49 -0.40 0.00 -1.16 0.00 0.00 179.01 178.07 2jxt h ARG 38 N 0.76 -0.96 -0.49 2.33 2.47 -0.88 -1.11 114.38 116.50 2jxt h ARG 38 Ca 0.35 0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 59.11 2jxt h ARG 38 Cb 0.26 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2jxt h ARG 38 CO -0.21 -0.64 0.20 -0.07 0.56 0.00 0.00 179.97 179.81 2jxt h LEU 39 N -0.99 0.67 -2.32 3.04 3.38 -1.07 -0.93 115.31 117.09 2jxt h LEU 39 Ca -0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2jxt h LEU 39 Cb 0.80 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jxt h LEU 39 CO 0.09 0.66 -0.03 1.88 0.09 0.00 0.00 178.44 181.13 2jxt h TYR 40 N 0.65 0.00 0.00 1.13 0.05 -1.10 -0.34 116.97 117.36 2jxt h TYR 40 Ca 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 2jxt h TYR 40 Cb 0.19 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 2jxt h TYR 40 CO 0.00 0.03 -0.10 1.03 -1.05 0.00 0.00 178.16 178.07 2jxt h SER 41 N 0.00 0.00 0.73 3.88 0.87 -0.53 -2.52 113.55 115.99 2jxt h SER 41 Ca -0.00 -0.96 -0.04 0.00 -1.23 0.00 0.00 61.79 59.56 2jxt h SER 41 Cb 0.07 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2jxt h SER 41 CO 0.00 1.04 -0.35 -0.08 -0.53 0.00 0.00 176.83 176.91 2jxt h GLU 42 N -1.00 -0.95 -0.38 2.24 4.81 -0.94 -0.35 114.58 118.01 2jxt h GLU 42 Ca -0.03 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2jxt h GLU 42 Cb 1.02 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2jxt h GLU 42 CO -0.02 -0.61 0.21 0.74 -0.73 0.00 0.00 179.01 178.60 2jxt h PHE 43 N -1.14 0.50 -0.02 0.92 -1.00 -1.27 0.44 116.94 115.38 2jxt h PHE 43 Ca -0.10 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.61 2jxt h PHE 43 Cb 0.78 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 2jxt h PHE 43 CO -0.00 0.35 -0.33 0.78 -1.61 0.00 0.00 178.31 177.50 2jxt h GLY 44 N 0.60 0.04 0.00 -1.45 0.00 -1.32 0.78 103.07 101.71 2jxt h GLY 44 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jxt h GLY 44 CO -0.02 0.03 -0.08 0.23 0.00 0.00 0.00 176.54 176.70 2jxt h SER 45 N 0.03 0.00 -0.18 0.19 0.87 0.14 -3.06 113.55 111.55 2jxt h SER 45 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jxt h SER 45 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2jxt h SER 45 CO 0.04 0.14 0.00 2.29 -0.53 0.00 0.00 176.83 178.77 2jxt n LYS 46 N -2.68 1.46 0.00 2.24 2.85 0.03 -3.91 118.16 118.15 2jxt n LYS 46 Ca -0.01 -0.71 0.00 0.00 -1.05 0.00 0.00 58.31 56.54 2jxt n LYS 46 Cb 0.04 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 0.04 0.00 -2.98 5.58 8.25 -0.92 -5.00 115.22 120.18 2jxt n HIS 47 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 2jxt n HIS 47 Cb 0.18 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.62 -1.88 -4.57 -0.41 1.74 0.27 -4.97 116.66 106.21 2jxt n ARG 48 Ca 0.00 0.76 -0.34 0.00 -0.77 0.00 0.00 57.85 57.51 2jxt n ARG 48 Cb 0.03 -5.19 -0.12 0.00 -1.02 0.00 0.00 32.46 26.16 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 -3.32 3.66 0.36 1.55 1.01 -0.91 -4.95 120.40 117.79 2jxt s VAL 49 Ca 0.38 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 2jxt s VAL 49 Cb -0.05 -2.54 -0.10 0.00 0.00 0.00 0.00 36.38 33.69 2jxt s VAL 49 CO 0.63 0.55 1.29 -2.84 0.00 0.00 0.00 175.10 174.73 2jxt s PRO 50 N -0.20 4.23 0.55 2.72 0.02 -1.26 -4.30 135.00 136.76 2jxt s PRO 50 Ca 0.03 2.16 0.25 0.00 0.02 0.00 0.00 61.00 63.46 2jxt s PRO 50 Cb -0.13 -2.95 1.48 0.00 0.02 0.00 0.00 34.50 32.92 2jxt s PRO 50 CO 0.03 -0.28 2.07 0.07 -0.33 0.00 0.00 177.00 178.56 2jxt h ARG 51 N 3.13 0.00 0.00 5.54 0.11 -1.96 0.04 114.38 121.24 2jxt h ARG 51 Ca -0.49 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.54 2jxt h ARG 51 Cb 1.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 2jxt h ARG 51 CO 0.64 0.00 -0.25 1.03 0.10 0.00 0.00 179.97 181.50 2jxt h SER 52 N 0.00 0.00 0.78 0.08 0.87 -2.03 -2.70 113.55 110.55 2jxt h SER 52 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2jxt h SER 52 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2jxt h SER 52 CO -0.00 0.25 -0.26 0.29 -0.53 0.00 0.00 176.83 176.58 2jxt n LYS 53 N -3.48 0.02 -3.10 2.24 4.76 -0.00 -4.84 118.16 113.76 2jxt n LYS 53 Ca -0.00 0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 2jxt n LYS 53 Cb 0.41 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 32.03 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 -3.01 5.01 -0.19 -0.18 1.01 -1.02 -0.77 120.40 121.25 2jxt s VAL 54 Ca 0.12 1.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 2jxt s VAL 54 Cb 0.18 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2jxt s VAL 54 CO 0.62 0.11 -0.15 -0.75 0.00 0.00 0.00 175.10 174.93 2jxt s LYS 55 N 1.85 3.10 -0.21 2.72 2.47 0.04 -5.02 119.74 124.69 2jxt s LYS 55 Ca 0.30 -0.78 -0.15 0.00 -1.56 0.00 0.00 55.97 53.79 2jxt s LYS 55 Cb -0.16 -2.70 -0.04 0.00 -1.46 0.00 0.00 37.83 33.47 2jxt s LYS 55 CO 0.11 -0.21 0.36 0.42 0.16 0.00 0.00 175.35 176.19 2jxt s ILE 56 N 1.34 5.22 -0.08 5.43 1.01 -1.26 -0.23 121.20 132.63 2jxt s ILE 56 Ca 0.05 0.61 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 2jxt s ILE 56 Cb -0.13 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2jxt s ILE 56 CO -0.10 0.26 -0.14 -0.62 0.00 0.00 0.00 174.94 174.34 2jxt n GLU 57 N 4.50 0.24 -4.84 2.79 -0.58 -0.20 -4.96 120.64 117.58 2jxt n GLU 57 Ca -0.09 0.16 -0.26 0.00 -0.42 0.00 0.00 57.16 56.54 2jxt n GLU 57 Cb 0.51 -0.99 -0.16 0.00 -0.57 0.00 0.00 31.44 30.23 2jxt n GLU 57 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2jxt s GLU 58 N -1.81 1.86 -0.09 3.49 2.12 0.14 -4.99 118.70 119.42 2jxt s GLU 58 Ca -0.12 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.64 2jxt s GLU 58 Cb 0.02 -1.59 -0.01 0.00 0.26 0.00 0.00 34.13 32.81 2jxt s GLU 58 CO 0.18 0.22 -0.19 0.42 -0.54 0.00 0.00 175.26 175.34 2jxt s ILE 59 N 0.12 2.53 -0.08 -3.70 1.01 -1.26 -0.26 121.20 119.56 2jxt s ILE 59 Ca -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 2jxt s ILE 59 Cb -0.12 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.39 2jxt s ILE 59 CO 0.03 0.56 0.19 -0.70 0.00 0.00 0.00 174.94 175.02 2jxt s GLU 60 N -0.02 0.19 -0.14 2.79 2.12 -1.13 -4.99 118.70 117.53 2jxt s GLU 60 Ca -0.06 0.35 -0.17 0.00 0.36 0.00 0.00 54.97 55.45 2jxt s GLU 60 Cb -0.15 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 2jxt s GLU 60 CO 0.05 -0.09 0.44 -2.00 -0.54 0.00 0.00 175.26 173.12 2jxt s GLU 61 N 0.63 4.31 0.24 4.30 2.12 -1.26 0.97 118.70 130.00 2jxt s GLU 61 Ca -0.04 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.68 2jxt s GLU 61 Cb -0.06 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 2jxt s GLU 61 CO -0.03 0.14 0.09 0.44 -0.54 0.00 0.00 175.26 175.36 2jxt n ILE 62 N 3.75 0.00 -3.45 -3.70 -5.35 -0.08 -4.94 119.36 105.58 2jxt n ILE 62 Ca -0.08 -1.39 -0.37 0.00 -0.27 0.00 0.00 62.75 60.65 2jxt n ILE 62 Cb 0.52 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.86 2jxt n ILE 62 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jxt s SER 63 N -2.46 6.81 0.50 7.28 0.01 -1.26 -4.20 113.70 120.37 2jxt s SER 63 Ca 0.12 0.99 0.18 0.00 1.31 0.00 0.00 55.95 58.55 2jxt s SER 63 Cb 0.01 -2.26 1.23 0.00 0.21 0.00 0.00 66.02 65.21 2jxt s SER 63 CO 0.09 0.22 2.07 1.55 0.41 0.00 0.00 173.24 177.58 2jxt h PRO 64 N 4.13 0.12 0.00 12.44 0.13 -1.93 -0.79 132.00 146.09 2jxt h PRO 64 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jxt h PRO 64 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jxt h PRO 64 CO 0.64 0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.64 2jxt n GLU 65 N -4.47 0.17 0.04 0.86 0.28 -1.26 -3.15 120.64 113.10 2jxt n GLU 65 Ca 0.04 0.20 0.12 0.00 -0.16 0.00 0.00 57.16 57.35 2jxt n GLU 65 Cb 0.29 -1.72 0.13 0.00 1.43 0.00 0.00 31.44 31.57 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 -2.01 0.25 -1.68 3.44 1.02 -0.31 -4.96 120.64 116.40 2jxt n GLU 66 Ca 0.05 0.04 -0.46 0.00 -0.02 0.00 0.00 57.16 56.78 2jxt n GLU 66 Cb 0.36 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 2jxt n GLU 66 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jxt n VAL 67 N -1.97 0.50 0.15 2.62 0.31 -1.19 -4.88 118.33 113.88 2jxt n VAL 67 Ca 0.03 -0.09 0.02 0.00 -0.01 0.00 0.00 64.34 64.30 2jxt n VAL 67 Cb 0.42 -1.95 0.18 0.00 -0.91 0.00 0.00 33.84 31.58 2jxt n VAL 67 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2jxt h GLN 68 N 8.88 0.00 -6.32 5.55 1.08 -1.92 -3.43 115.11 118.94 2jxt h GLN 68 Ca -0.48 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.15 2jxt h GLN 68 Cb 1.26 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.65 2jxt h GLN 68 CO 0.94 0.52 1.11 0.34 -0.95 0.00 0.00 178.83 180.79 2jxt s ASP 69 N -6.52 6.36 0.47 1.46 -1.08 -1.26 -4.90 116.67 111.19 2jxt s ASP 69 Ca 0.01 1.42 0.31 0.00 -0.52 0.00 0.00 52.55 53.77 2jxt s ASP 69 Cb 0.10 -2.53 1.27 0.00 -1.46 0.00 0.00 42.92 40.30 2jxt s ASP 69 CO 0.73 -1.31 1.91 1.55 0.52 0.00 0.00 175.17 178.57 2jxt h PRO 70 N 10.77 0.00 0.00 4.34 0.13 -1.96 -2.22 132.00 143.06 2jxt h PRO 70 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2jxt h PRO 70 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jxt h PRO 70 CO 1.02 0.00 -0.20 0.28 -0.23 0.00 0.00 178.00 178.87 2jxt h VAL 71 N 0.00 1.03 0.07 1.56 2.07 -1.97 -3.09 116.25 115.92 2jxt h VAL 71 Ca 0.00 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 2jxt h VAL 71 Cb 0.47 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2jxt h VAL 71 CO 0.00 0.35 -0.05 0.58 0.02 0.00 0.00 177.57 178.47 2jxt h VAL 72 N -1.00 0.89 -0.51 2.57 2.07 -1.85 -0.26 116.25 118.17 2jxt h VAL 72 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2jxt h VAL 72 Cb 0.71 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 2jxt h VAL 72 CO -0.03 0.00 0.04 0.50 0.02 0.00 0.00 177.57 178.10 2jxt h LYS 73 N -0.12 0.16 -0.39 1.57 3.64 -1.57 -0.96 116.57 118.90 2jxt h LYS 73 Ca -0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2jxt h LYS 73 Cb 0.11 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2jxt h LYS 73 CO -0.00 0.10 -0.14 0.00 -2.27 0.00 0.00 179.45 177.14 2jxt h ALA 74 N 1.43 1.03 -0.37 5.00 0.00 -1.44 -1.05 119.26 123.86 2jxt h ALA 74 Ca 0.26 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jxt h ALA 74 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jxt h ALA 74 CO -0.39 0.58 0.25 1.25 0.00 0.00 0.00 179.25 180.94 2jxt h LEU 75 N 0.63 0.25 0.00 0.00 6.46 0.27 -0.59 115.31 122.33 2jxt h LEU 75 Ca 0.11 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.75 2jxt h LEU 75 Cb 0.60 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 2jxt h LEU 75 CO 0.04 0.17 -0.60 0.58 -0.62 0.00 0.00 178.44 178.00 2jxt h VAL 76 N 0.29 1.32 -0.36 1.05 2.07 -1.04 -3.38 116.25 116.19 2jxt h VAL 76 Ca 0.16 -2.22 0.05 0.00 0.82 0.00 0.00 66.70 65.51 2jxt h VAL 76 Cb 0.27 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 2jxt h VAL 76 CO -0.03 0.45 0.25 1.56 0.02 0.00 0.00 177.57 179.81 2jxt h GLN 77 N -1.00 0.26 -0.57 1.57 4.20 -0.98 -2.59 115.11 116.00 2jxt h GLN 77 Ca -0.17 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.61 2jxt h GLN 77 Cb 1.12 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 2jxt h GLN 77 CO -0.10 0.17 0.38 0.07 -0.67 0.00 0.00 178.83 178.69 2jxt h ARG 78 N 0.27 0.45 -0.03 1.46 0.11 -1.29 -1.95 114.38 113.41 2jxt h ARG 78 Ca 0.16 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.21 2jxt h ARG 78 Cb 0.29 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2jxt h ARG 78 CO -0.03 0.30 -0.10 1.47 0.10 0.00 0.00 179.97 181.71 2jxt n LEU 79 N -4.47 2.60 -4.79 0.08 -0.00 -0.98 -4.97 117.00 104.47 2jxt n LEU 79 Ca 0.09 -0.88 -0.36 0.00 -0.00 0.00 0.00 56.01 54.85 2jxt n LEU 79 Cb 0.31 -0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.66 2jxt n LEU 79 CO 0.34 0.44 0.62 -0.70 -0.00 0.00 0.00 177.39 178.09 2jxt s GLU 80 N -2.11 4.51 0.12 1.47 -6.30 -0.73 -4.97 118.70 110.70 2jxt s GLU 80 Ca 0.27 1.25 0.27 0.00 -2.50 0.00 0.00 54.97 54.26 2jxt s GLU 80 Cb 0.20 -2.75 0.98 0.00 0.00 0.00 0.00 34.13 32.56 2jxt s GLU 80 CO 0.36 0.27 1.84 0.72 0.02 0.00 0.00 175.26 178.47 2jxt n HIS 81 N 0.47 0.55 0.32 5.30 8.25 -1.26 -3.06 115.22 125.79 2jxt n HIS 81 Ca 0.02 0.16 0.21 0.00 -0.26 0.00 0.00 57.72 57.85 2jxt n HIS 81 Cb 0.51 -0.76 1.09 0.00 1.12 0.00 0.00 29.99 31.94 2jxt n HIS 81 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jxt h HIS 82 N 0.00 0.00 -3.71 4.41 6.17 -1.93 -3.28 115.15 116.81 2jxt h HIS 82 Ca 0.00 0.00 -0.78 0.00 0.71 0.00 0.00 60.37 60.30 2jxt h HIS 82 Cb 0.64 0.00 -0.26 0.00 2.52 0.00 0.00 27.41 30.31 2jxt h HIS 82 CO 0.00 0.00 0.07 -1.58 0.71 0.00 0.00 177.93 177.13 2jxt s HIS 83 N -4.02 3.69 0.15 5.26 5.04 -1.17 -5.07 115.29 119.17 2jxt s HIS 83 Ca -0.04 -1.90 -0.01 0.00 -1.54 0.00 0.00 55.06 51.58 2jxt s HIS 83 Cb 0.12 -3.83 -0.04 0.00 0.04 0.00 0.00 32.58 28.87 2jxt s HIS 83 CO 0.41 -1.00 0.33 -3.38 -2.34 0.00 0.00 174.74 168.76 2jxt s HIS 84 N 0.38 3.49 -0.09 3.88 -3.43 -1.24 -4.96 115.29 113.32 2jxt s HIS 84 Ca 0.16 0.34 -0.03 0.00 -0.80 0.00 0.00 55.06 54.73 2jxt s HIS 84 Cb -0.13 -1.84 -0.02 0.00 -1.43 0.00 0.00 32.58 29.16 2jxt s HIS 84 CO -0.07 0.46 0.13 0.45 -2.00 0.00 0.00 174.74 173.70 2jxt h HIS 85 N 2.46 -0.09 0.00 0.38 3.86 -1.97 -3.54 115.15 116.25 2jxt h HIS 85 Ca -0.47 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2jxt h HIS 85 Cb 1.18 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2jxt h HIS 85 CO 0.58 -0.03 0.00 0.72 0.86 0.00 0.00 177.93 180.05