#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 3.06 -0.00 3.17 -0.14 -1.26 -5.00 119.74 119.58 2jxt s LYS 2 Ca 0.00 2.08 -0.23 0.00 -1.36 0.00 0.00 55.97 56.46 2jxt s LYS 2 Cb 0.00 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 33.97 2jxt s LYS 2 CO 0.00 -1.20 0.68 1.41 -0.76 0.00 0.00 175.35 175.47 2jxt s MET 3 N -3.05 4.41 -0.09 1.68 -2.45 -1.26 -5.01 119.30 113.53 2jxt s MET 3 Ca 0.74 0.88 -0.29 0.00 -1.25 0.00 0.00 55.69 55.77 2jxt s MET 3 Cb -0.37 -3.37 -0.05 0.00 1.25 0.00 0.00 34.83 32.28 2jxt s MET 3 CO 0.42 0.27 1.77 0.21 1.05 0.00 0.00 175.02 178.74 2jxt s LYS 4 N 0.08 3.97 0.37 4.11 2.36 -1.26 -4.93 119.74 124.44 2jxt s LYS 4 Ca 0.35 2.13 -0.28 0.00 -2.55 0.00 0.00 55.97 55.62 2jxt s LYS 4 Cb -0.19 -4.08 -0.11 0.00 -1.05 0.00 0.00 37.83 32.41 2jxt s LYS 4 CO 0.19 -1.11 1.50 -0.08 1.55 0.00 0.00 175.35 177.40 2jxt s THR 5 N 4.84 2.04 0.68 3.43 -1.32 -1.26 -4.94 115.64 119.11 2jxt s THR 5 Ca 0.79 0.04 0.02 0.00 -1.21 0.00 0.00 61.69 61.32 2jxt s THR 5 Cb -0.33 -3.02 0.11 0.00 -1.51 0.00 0.00 72.50 67.75 2jxt s THR 5 CO 0.33 0.01 0.94 -0.54 -2.21 0.00 0.00 174.62 173.14 2jxt s LYS 6 N -2.00 1.85 -0.04 7.08 1.02 0.33 -4.85 119.74 123.13 2jxt s LYS 6 Ca 0.53 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2jxt s LYS 6 Cb -0.47 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 34.42 2jxt s LYS 6 CO 0.62 -1.28 -0.17 0.42 -0.92 0.00 0.00 175.35 174.02 2jxt s ILE 7 N -3.01 1.45 -0.05 2.17 1.09 -1.26 -0.60 121.20 120.98 2jxt s ILE 7 Ca 0.65 -0.73 0.05 0.00 -1.10 0.00 0.00 60.65 59.51 2jxt s ILE 7 Cb -0.06 -1.24 -0.00 0.00 -1.06 0.00 0.00 42.46 40.10 2jxt s ILE 7 CO 0.43 0.42 -0.20 -0.36 -0.10 0.00 0.00 174.94 175.13 2jxt s PHE 8 N -0.02 1.97 -0.50 3.97 0.08 0.10 -1.00 117.98 122.58 2jxt s PHE 8 Ca -0.03 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.21 2jxt s PHE 8 Cb -0.11 -1.32 0.04 0.00 -0.57 0.00 0.00 43.02 41.06 2jxt s PHE 8 CO 0.02 -0.21 0.71 0.50 -0.10 0.00 0.00 175.22 176.14 2jxt s ARG 9 N 0.03 3.22 -0.27 0.44 3.52 0.11 -2.43 118.95 123.58 2jxt s ARG 9 Ca -0.05 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 54.87 2jxt s ARG 9 Cb -0.13 -4.04 -0.05 0.00 -1.56 0.00 0.00 34.95 29.17 2jxt s ARG 9 CO 0.03 -1.22 0.16 0.08 -0.81 0.00 0.00 175.30 173.54 2jxt s VAL 10 N 3.01 5.09 -0.16 7.11 1.01 0.24 -2.02 120.40 134.67 2jxt s VAL 10 Ca 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 2jxt s VAL 10 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2jxt s VAL 10 CO 0.16 0.29 0.02 -0.75 0.00 0.00 0.00 175.10 174.82 2jxt s LYS 11 N 1.61 3.70 0.00 2.72 2.47 0.30 -0.37 119.74 130.18 2jxt s LYS 11 Ca 0.07 -0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 2jxt s LYS 11 Cb -0.15 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 2jxt s LYS 11 CO 0.08 0.36 0.00 0.41 0.16 0.00 0.00 175.35 176.36 2jxt n GLY 12 N 3.24 1.71 3.05 5.54 0.00 -0.89 -0.55 105.19 117.29 2jxt n GLY 12 Ca -0.17 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.90 0.88 0.04 1.61 1.02 -0.02 -0.31 119.74 122.05 2jxt s LYS 13 Ca 0.00 -0.38 0.06 0.00 0.02 0.00 0.00 55.97 55.67 2jxt s LYS 13 Cb 0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 2jxt s LYS 13 CO 0.00 0.22 -0.16 -0.59 -0.92 0.00 0.00 175.35 173.91 2jxt s PHE 14 N -0.22 2.62 -0.62 3.18 -0.71 -0.08 -1.03 117.98 121.13 2jxt s PHE 14 Ca 0.04 -0.21 -0.23 0.00 -1.04 0.00 0.00 56.93 55.48 2jxt s PHE 14 Cb -0.04 -1.49 0.05 0.00 -1.21 0.00 0.00 43.02 40.34 2jxt s PHE 14 CO -0.00 0.28 0.97 -1.17 -1.34 0.00 0.00 175.22 173.96 2jxt s LEU 15 N -1.48 4.19 -0.47 -1.99 1.98 0.10 -1.94 118.68 119.07 2jxt s LEU 15 Ca 0.15 -0.68 -0.11 0.00 -2.89 0.00 0.00 54.13 50.60 2jxt s LEU 15 Cb -0.11 -2.60 0.10 0.00 0.66 0.00 0.00 46.19 44.25 2jxt s LEU 15 CO 0.06 -1.37 0.35 -0.32 -1.89 0.00 0.00 176.35 173.18 2jxt s MET 16 N 4.10 2.65 -1.18 1.98 -2.45 0.80 -4.73 119.30 120.47 2jxt s MET 16 Ca 0.26 -1.63 -0.12 0.00 -1.25 0.00 0.00 55.69 52.96 2jxt s MET 16 Cb -0.14 -3.97 -0.02 0.00 1.25 0.00 0.00 34.83 31.95 2jxt s MET 16 CO 0.14 -1.13 0.77 0.41 1.05 0.00 0.00 175.02 176.27 2jxt n GLY 17 N 5.00 -0.81 3.72 2.11 0.00 -1.26 -1.14 105.19 112.81 2jxt n GLY 17 Ca -0.10 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2jxt n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jxt n ASP 18 N -2.89 0.00 -4.52 1.61 2.03 -1.26 -4.96 116.55 106.55 2jxt n ASP 18 Ca -0.15 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.80 2jxt n ASP 18 Cb 0.62 -1.33 -0.12 0.00 -0.72 0.00 0.00 41.12 39.58 2jxt n ASP 18 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jxt s LYS 19 N -0.45 3.78 -0.42 -0.67 -0.14 -0.29 -5.08 119.74 116.46 2jxt s LYS 19 Ca 0.00 -0.43 -0.23 0.00 -1.36 0.00 0.00 55.97 53.95 2jxt s LYS 19 Cb 0.00 -3.26 0.02 0.00 -1.68 0.00 0.00 37.83 32.91 2jxt s LYS 19 CO 0.00 0.01 0.77 -0.51 -0.76 0.00 0.00 175.35 174.86 2jxt s LEU 20 N 1.07 4.24 -0.11 3.17 1.43 -1.26 -0.14 118.68 127.08 2jxt s LEU 20 Ca 0.04 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2jxt s LEU 20 Cb -0.14 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 2jxt s LEU 20 CO 0.03 -0.84 -0.02 -1.10 0.23 0.00 0.00 176.35 174.65 2jxt s GLN 21 N 3.18 3.26 0.59 1.70 1.11 -0.82 -4.91 119.66 123.77 2jxt s GLN 21 Ca 0.29 -0.46 -0.14 0.00 0.01 0.00 0.00 55.36 55.06 2jxt s GLN 21 Cb -0.13 -2.84 -0.04 0.00 -1.01 0.00 0.00 33.01 28.99 2jxt s GLN 21 CO 0.21 0.51 1.03 -1.25 0.01 0.00 0.00 175.29 175.80 2jxt s PRO 22 N -0.37 3.46 0.02 2.91 0.04 -1.26 -0.90 135.00 138.90 2jxt s PRO 22 Ca 0.07 1.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.07 2jxt s PRO 22 Cb -0.12 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2jxt s PRO 22 CO 0.02 -0.68 0.11 -0.59 0.04 0.00 0.00 177.00 175.90 2jxt s PHE 23 N -2.71 0.12 -0.32 0.56 -0.12 0.58 -4.89 117.98 111.19 2jxt s PHE 23 Ca 0.60 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 57.20 2jxt s PHE 23 Cb -0.13 -0.10 0.09 0.00 -0.63 0.00 0.00 43.02 42.26 2jxt s PHE 23 CO 0.41 -0.31 0.03 0.99 -0.05 0.00 0.00 175.22 176.29 2jxt s THR 24 N -1.86 2.05 -0.35 -4.49 2.01 -1.26 -2.08 115.64 109.66 2jxt s THR 24 Ca -0.11 -2.09 -0.15 0.00 0.31 0.00 0.00 61.69 59.65 2jxt s THR 24 Cb -0.05 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.98 2jxt s THR 24 CO -0.01 -0.52 0.32 -0.54 -0.69 0.00 0.00 174.62 173.18 2jxt s LYS 25 N 1.04 3.47 -0.49 4.92 -0.14 0.51 -4.90 119.74 124.14 2jxt s LYS 25 Ca 0.08 -0.56 -0.18 0.00 -1.36 0.00 0.00 55.97 53.95 2jxt s LYS 25 Cb -0.19 -3.83 0.05 0.00 -1.68 0.00 0.00 37.83 32.19 2jxt s LYS 25 CO -0.10 -0.54 0.56 -1.21 -0.76 0.00 0.00 175.35 173.31 2jxt s GLU 26 N 1.91 3.10 0.10 1.68 2.02 -1.26 -0.59 118.70 125.65 2jxt s GLU 26 Ca 0.09 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 2jxt s GLU 26 Cb -0.17 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 29.94 2jxt s GLU 26 CO 0.11 -1.13 0.01 -0.48 0.02 0.00 0.00 175.26 173.79 2jxt s LEU 27 N 2.40 2.17 0.13 1.80 2.34 -1.02 -4.86 118.68 121.64 2jxt s LEU 27 Ca 0.13 -1.10 -0.06 0.00 0.06 0.00 0.00 54.13 53.16 2jxt s LEU 27 Cb -0.20 0.20 -0.06 0.00 -0.56 0.00 0.00 46.19 45.58 2jxt s LEU 27 CO 0.12 -0.64 0.38 0.54 -1.06 0.00 0.00 176.35 175.69 2jxt s ASN 28 N -3.00 6.52 -0.05 1.48 4.22 -1.26 -0.72 114.94 122.12 2jxt s ASN 28 Ca 0.16 0.64 -0.29 0.00 -2.14 0.00 0.00 52.86 51.22 2jxt s ASN 28 Cb 0.07 -2.11 0.10 0.00 1.28 0.00 0.00 41.25 40.59 2jxt s ASN 28 CO -0.04 0.08 0.84 0.00 -2.04 0.00 0.00 177.10 175.95 2jxt s ALA 29 N -1.60 -1.83 -0.04 3.54 0.00 0.23 -4.92 121.76 117.14 2jxt s ALA 29 Ca 0.39 1.24 -0.24 0.00 0.00 0.00 0.00 51.96 53.35 2jxt s ALA 29 Cb -0.12 -0.04 -0.22 0.00 0.00 0.00 0.00 23.12 22.73 2jxt s ALA 29 CO 0.23 -0.48 1.08 0.82 0.00 0.00 0.00 175.76 177.41 2jxt h ILE 30 N 2.45 1.51 -3.97 0.00 5.03 -1.92 0.96 117.51 121.57 2jxt h ILE 30 Ca -0.23 -1.80 -0.23 0.00 -0.12 0.00 0.00 64.86 62.48 2jxt h ILE 30 Cb 1.20 2.61 -0.07 0.00 -3.03 0.00 0.00 36.82 37.53 2jxt h ILE 30 CO 0.34 0.49 -0.14 0.00 -0.68 0.00 0.00 178.15 178.16 2jxt s ARG 31 N -3.36 1.91 0.49 2.37 1.70 -1.26 -4.68 118.95 116.13 2jxt s ARG 31 Ca -0.16 -1.68 0.20 0.00 -0.47 0.00 0.00 55.73 53.62 2jxt s ARG 31 Cb 0.01 0.46 1.25 0.00 -0.57 0.00 0.00 34.95 36.11 2jxt s ARG 31 CO 0.73 -0.80 2.07 0.93 -1.08 0.00 0.00 175.30 177.15 2jxt h GLU 32 N 2.11 0.00 -0.78 3.89 5.08 -2.01 -1.39 114.58 121.49 2jxt h GLU 32 Ca -0.29 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2jxt h GLU 32 Cb 1.24 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.40 2jxt h GLU 32 CO 0.39 0.12 0.35 0.93 -1.00 0.00 0.00 179.01 179.80 2jxt h GLU 33 N 0.00 0.51 -0.22 2.33 5.08 -2.02 -2.17 114.58 118.09 2jxt h GLU 33 Ca -0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jxt h GLU 33 Cb 0.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jxt h GLU 33 CO 0.02 0.34 0.13 0.93 -1.00 0.00 0.00 179.01 179.43 2jxt h GLU 34 N 0.53 0.27 -0.59 2.33 4.39 -1.67 -3.22 114.58 116.62 2jxt h GLU 34 Ca 0.42 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.21 2jxt h GLU 34 Cb 0.59 -0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.06 2jxt h GLU 34 CO -0.36 0.18 -0.26 0.82 -1.16 0.00 0.00 179.01 178.22 2jxt h ILE 35 N 0.28 0.25 0.38 3.13 2.04 -1.39 0.77 117.51 122.97 2jxt h ILE 35 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 2jxt h ILE 35 Cb -0.02 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2jxt h ILE 35 CO -0.03 0.00 -0.42 1.88 0.00 0.00 0.00 178.15 179.58 2jxt h TYR 36 N -0.11 -1.16 -0.85 1.37 0.05 -1.56 -1.11 116.97 113.61 2jxt h TYR 36 Ca 0.26 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 2jxt h TYR 36 Cb 0.52 0.46 -0.04 0.00 1.01 0.00 0.00 36.73 38.67 2jxt h TYR 36 CO -0.58 -0.57 0.49 0.93 -1.05 0.00 0.00 178.16 177.38 2jxt h GLU 37 N -0.83 1.18 0.04 4.88 4.39 -1.47 -1.45 114.58 121.32 2jxt h GLU 37 Ca -0.03 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 2jxt h GLU 37 Cb 0.75 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jxt h GLU 37 CO -0.09 0.85 -0.02 0.00 -1.16 0.00 0.00 179.01 178.59 2jxt h ARG 38 N 1.18 -0.05 -0.21 2.33 2.47 -0.69 -1.43 114.38 117.98 2jxt h ARG 38 Ca 0.30 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.01 2jxt h ARG 38 Cb 0.00 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2jxt h ARG 38 CO -0.05 0.01 0.09 -0.07 0.56 0.00 0.00 179.97 180.51 2jxt h LEU 39 N -0.10 0.29 -1.06 3.04 3.38 -0.99 0.90 115.31 120.76 2jxt h LEU 39 Ca -0.01 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2jxt h LEU 39 Cb 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2jxt h LEU 39 CO 0.01 0.37 0.63 1.88 0.09 0.00 0.00 178.44 181.42 2jxt h TYR 40 N 0.20 1.15 -0.04 1.13 0.05 -1.24 0.14 116.97 118.36 2jxt h TYR 40 Ca 0.07 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 2jxt h TYR 40 Cb 0.17 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.53 2jxt h TYR 40 CO -0.01 0.61 0.01 1.03 -1.05 0.00 0.00 178.16 178.74 2jxt h SER 41 N 1.14 0.07 0.48 3.88 0.87 -0.96 -0.50 113.55 118.52 2jxt h SER 41 Ca 0.41 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2jxt h SER 41 Cb 0.15 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2jxt h SER 41 CO -0.16 0.31 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.14 2jxt h GLU 42 N -0.17 -0.62 -0.83 2.24 4.81 -0.11 0.18 114.58 120.07 2jxt h GLU 42 Ca 0.01 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2jxt h GLU 42 Cb 0.27 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 2jxt h GLU 42 CO 0.00 -0.37 0.51 0.74 -0.73 0.00 0.00 179.01 179.16 2jxt h PHE 43 N -0.72 0.94 0.00 0.92 -1.00 -0.85 0.16 116.94 116.39 2jxt h PHE 43 Ca -0.07 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 2jxt h PHE 43 Cb 0.53 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2jxt h PHE 43 CO -0.03 0.47 -0.10 0.78 -1.61 0.00 0.00 178.31 177.82 2jxt h GLY 44 N 0.92 0.00 0.00 -1.45 0.00 -0.76 0.51 103.07 102.29 2jxt h GLY 44 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2jxt h GLY 44 CO -0.18 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.80 2jxt n SER 45 N -3.58 0.00 0.19 0.19 7.64 0.59 -3.63 113.62 115.02 2jxt n SER 45 Ca -0.02 0.20 0.08 0.00 1.01 0.00 0.00 58.87 60.14 2jxt n SER 45 Cb 0.22 -0.45 0.18 0.00 -1.01 0.00 0.00 64.21 63.15 2jxt n SER 45 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2jxt h LYS 46 N 0.00 0.00 0.00 1.43 2.10 -0.89 -3.25 116.57 115.96 2jxt h LYS 46 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jxt h LYS 46 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jxt h LYS 46 CO 0.00 0.24 -1.83 0.72 -2.00 0.00 0.00 179.45 176.58 2jxt n HIS 47 N -3.19 0.00 -1.49 0.07 8.25 -0.61 -4.99 115.22 113.26 2jxt n HIS 47 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 2jxt n HIS 47 Cb 0.59 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.13 -1.13 -3.51 -0.41 1.74 0.16 -4.95 116.66 106.44 2jxt n ARG 48 Ca -0.03 1.06 -0.39 0.00 -0.77 0.00 0.00 57.85 57.72 2jxt n ARG 48 Cb 0.48 -5.25 -0.10 0.00 -1.02 0.00 0.00 32.46 26.56 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 -2.60 5.25 0.76 1.55 1.01 -0.23 -4.88 120.40 121.26 2jxt s VAL 49 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2jxt s VAL 49 Cb 0.00 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.83 2jxt s VAL 49 CO 0.00 0.20 1.14 -2.16 0.00 0.00 0.00 175.10 174.29 2jxt s PRO 50 N 1.89 2.11 0.36 2.72 0.04 -1.26 -2.66 135.00 138.20 2jxt s PRO 50 Ca 0.10 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.68 2jxt s PRO 50 Cb -0.16 -1.86 0.70 0.00 0.04 0.00 0.00 34.50 33.23 2jxt s PRO 50 CO 0.11 -1.80 2.00 0.07 0.04 0.00 0.00 177.00 177.41 2jxt h ARG 51 N -0.71 0.76 0.00 4.56 0.11 -1.94 -1.10 114.38 116.07 2jxt h ARG 51 Ca -0.46 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2jxt h ARG 51 Cb 1.26 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2jxt h ARG 51 CO 0.49 0.51 0.00 0.43 0.10 0.00 0.00 179.97 181.50 2jxt n SER 52 N -4.46 0.48 -0.76 0.08 7.64 -1.26 -1.21 113.62 114.13 2jxt n SER 52 Ca 0.07 0.68 0.12 0.00 1.01 0.00 0.00 58.87 60.76 2jxt n SER 52 Cb 0.11 -0.76 0.16 0.00 -1.01 0.00 0.00 64.21 62.71 2jxt n SER 52 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jxt n LYS 53 N -2.10 1.95 -4.59 1.43 4.76 -0.42 -4.90 118.16 114.29 2jxt n LYS 53 Ca 0.00 -1.54 -0.33 0.00 -2.87 0.00 0.00 58.31 53.57 2jxt n LYS 53 Cb 0.10 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.70 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 -2.11 3.55 -0.11 -0.18 1.01 -0.35 0.01 120.40 122.21 2jxt s VAL 54 Ca 0.28 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2jxt s VAL 54 Cb 0.20 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2jxt s VAL 54 CO 0.37 0.53 -0.00 -0.75 0.00 0.00 0.00 175.10 175.25 2jxt s LYS 55 N 0.07 0.76 0.18 2.72 2.20 -0.20 -4.99 119.74 120.48 2jxt s LYS 55 Ca -0.02 -0.08 -0.26 0.00 -0.36 0.00 0.00 55.97 55.24 2jxt s LYS 55 Cb -0.14 -1.36 -0.08 0.00 -1.51 0.00 0.00 37.83 34.74 2jxt s LYS 55 CO 0.03 -0.38 0.80 0.42 -0.36 0.00 0.00 175.35 175.86 2jxt s ILE 56 N 1.90 4.32 -0.05 5.43 1.01 -1.26 -0.84 121.20 131.72 2jxt s ILE 56 Ca 0.03 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.47 2jxt s ILE 56 Cb -0.14 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2jxt s ILE 56 CO -0.06 0.52 -0.02 -0.62 0.00 0.00 0.00 174.94 174.76 2jxt n GLU 57 N 1.59 1.69 -3.69 2.79 1.02 0.28 -4.95 120.64 119.37 2jxt n GLU 57 Ca -0.05 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 2jxt n GLU 57 Cb 0.48 -1.10 -0.13 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.10 0.16 -0.21 3.49 2.12 -0.11 -5.01 118.70 117.05 2jxt s GLU 58 Ca -0.04 0.64 0.01 0.00 0.36 0.00 0.00 54.97 55.93 2jxt s GLU 58 Cb 0.01 -0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.34 2jxt s GLU 58 CO 0.14 -0.24 -0.15 0.42 -0.54 0.00 0.00 175.26 174.89 2jxt s ILE 59 N 1.93 2.31 0.05 -3.70 1.01 -1.26 -0.54 121.20 121.00 2jxt s ILE 59 Ca -0.03 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 59.64 2jxt s ILE 59 Cb -0.11 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2jxt s ILE 59 CO -0.08 0.36 -0.23 -1.61 0.00 0.00 0.00 174.94 173.38 2jxt s GLU 60 N 1.27 1.49 -0.13 2.79 2.02 -0.86 -4.99 118.70 120.29 2jxt s GLU 60 Ca 0.01 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 53.84 2jxt s GLU 60 Cb -0.15 -1.67 -0.05 0.00 0.10 0.00 0.00 34.13 32.37 2jxt s GLU 60 CO -0.09 0.42 0.27 -2.00 0.02 0.00 0.00 175.26 173.88 2jxt s GLU 61 N -1.31 4.07 0.37 1.61 2.12 -1.26 0.08 118.70 124.37 2jxt s GLU 61 Ca 0.09 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.53 2jxt s GLU 61 Cb -0.09 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2jxt s GLU 61 CO 0.02 0.40 0.11 0.96 -0.54 0.00 0.00 175.26 176.21 2jxt s ILE 62 N -0.01 0.71 0.19 -3.70 -4.36 -0.17 -4.93 121.20 108.93 2jxt s ILE 62 Ca 0.16 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.50 2jxt s ILE 62 Cb -0.13 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 2jxt s ILE 62 CO 0.05 0.00 0.44 -0.44 0.24 0.00 0.00 174.94 175.23 2jxt s SER 63 N -3.53 6.50 0.40 4.36 0.01 -1.26 -4.02 113.70 116.16 2jxt s SER 63 Ca 0.29 0.66 0.13 0.00 1.31 0.00 0.00 55.95 58.34 2jxt s SER 63 Cb 0.05 -2.12 0.96 0.00 0.21 0.00 0.00 66.02 65.12 2jxt s SER 63 CO 0.15 -0.02 1.90 -0.65 0.41 0.00 0.00 173.24 175.03 2jxt h PRO 64 N 2.50 0.51 0.00 12.44 0.11 -1.97 -0.67 132.00 144.93 2jxt h PRO 64 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2jxt h PRO 64 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2jxt h PRO 64 CO 0.70 0.34 -0.24 1.05 -0.21 0.00 0.00 178.00 179.64 2jxt h GLU 65 N 0.52 0.00 0.00 1.05 4.11 -1.97 -2.95 114.58 115.35 2jxt h GLU 65 Ca 0.39 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.75 2jxt h GLU 65 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2jxt h GLU 65 CO -0.15 0.24 -0.41 0.93 0.07 0.00 0.00 179.01 179.70 2jxt h GLU 66 N 0.00 0.00 -6.08 1.06 5.08 -1.52 -3.46 114.58 109.66 2jxt h GLU 66 Ca -0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 2jxt h GLU 66 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jxt h GLU 66 CO 0.03 0.30 1.28 0.28 -1.00 0.00 0.00 179.01 179.90 2jxt n VAL 67 N -3.14 0.33 1.62 3.13 0.31 -1.11 -4.82 118.33 114.63 2jxt n VAL 67 Ca 0.02 -0.21 0.15 0.00 -0.01 0.00 0.00 64.34 64.28 2jxt n VAL 67 Cb 0.66 -1.76 0.78 0.00 -0.91 0.00 0.00 33.84 32.61 2jxt n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jxt n GLN 68 N 7.50 0.74 -3.18 5.55 6.02 -1.26 -4.65 117.38 128.08 2jxt n GLN 68 Ca 0.33 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 2jxt n GLN 68 Cb 0.26 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 2jxt n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2jxt s ASP 69 N -2.33 6.31 0.55 1.08 -1.08 -1.26 -4.96 116.67 114.98 2jxt s ASP 69 Ca 0.36 -0.24 0.33 0.00 -0.52 0.00 0.00 52.55 52.47 2jxt s ASP 69 Cb 0.21 -2.29 1.50 0.00 -1.46 0.00 0.00 42.92 40.88 2jxt s ASP 69 CO 0.43 -0.63 2.05 1.55 0.52 0.00 0.00 175.17 179.08 2jxt h PRO 70 N 8.68 0.00 0.02 4.34 0.13 -1.99 -1.81 132.00 141.36 2jxt h PRO 70 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2jxt h PRO 70 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jxt h PRO 70 CO 0.83 0.06 -0.01 0.28 -0.23 0.00 0.00 178.00 178.94 2jxt h VAL 71 N 0.00 0.93 -0.38 1.56 2.07 -1.97 -2.94 116.25 115.52 2jxt h VAL 71 Ca -0.00 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 65.89 2jxt h VAL 71 Cb 0.42 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 2jxt h VAL 71 CO 0.01 0.31 0.20 0.58 0.02 0.00 0.00 177.57 178.68 2jxt h VAL 72 N -0.99 0.99 -0.56 2.57 2.07 -1.90 -0.43 116.25 118.01 2jxt h VAL 72 Ca -0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2jxt h VAL 72 Cb 0.52 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2jxt h VAL 72 CO 0.00 0.07 0.30 0.50 0.02 0.00 0.00 177.57 178.47 2jxt h LYS 73 N 0.40 0.56 -0.25 1.57 3.64 -1.48 -0.83 116.57 120.18 2jxt h LYS 73 Ca 0.16 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2jxt h LYS 73 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2jxt h LYS 73 CO -0.10 0.37 -0.16 0.00 -2.27 0.00 0.00 179.45 177.28 2jxt h ALA 74 N 1.29 1.25 -0.44 5.00 0.00 -1.29 0.07 119.26 125.15 2jxt h ALA 74 Ca 0.25 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2jxt h ALA 74 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jxt h ALA 74 CO -0.16 0.49 -0.07 1.25 0.00 0.00 0.00 179.25 180.76 2jxt h LEU 75 N 0.40 0.75 0.03 0.00 6.46 -0.19 -2.42 115.31 120.34 2jxt h LEU 75 Ca 0.07 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2jxt h LEU 75 Cb 0.52 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2jxt h LEU 75 CO 0.03 0.86 -0.02 0.58 -0.62 0.00 0.00 178.44 179.27 2jxt h VAL 76 N 0.70 0.68 0.00 1.05 2.07 -0.86 -3.35 116.25 116.55 2jxt h VAL 76 Ca 0.13 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2jxt h VAL 76 Cb 0.53 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jxt h VAL 76 CO 0.03 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2jxt n GLN 77 N -4.75 0.00 -0.03 1.57 6.02 -0.02 -1.93 117.38 118.24 2jxt n GLN 77 Ca -0.04 0.32 -0.06 0.00 -0.01 0.00 0.00 57.00 57.20 2jxt n GLN 77 Cb 0.19 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.08 2jxt n GLN 77 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2jxt h ARG 78 N 0.00 0.62 0.00 -1.09 0.11 -1.56 -2.80 114.38 109.66 2jxt h ARG 78 Ca 0.00 -0.27 -0.14 0.00 0.10 0.00 0.00 59.98 59.68 2jxt h ARG 78 Cb 0.18 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 2jxt h ARG 78 CO 0.00 0.84 -1.14 1.37 0.10 0.00 0.00 179.97 181.14 2jxt h LEU 79 N 0.53 0.00 -2.59 0.08 8.10 -1.57 -3.28 115.31 116.58 2jxt h LEU 79 Ca 0.07 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.92 2jxt h LEU 79 Cb 0.77 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.91 2jxt h LEU 79 CO 0.06 0.50 0.18 -0.62 -4.11 0.00 0.00 178.44 174.45 2jxt n GLU 80 N -2.95 1.34 0.01 0.17 1.02 -1.01 -4.42 120.64 114.80 2jxt n GLU 80 Ca -0.06 -0.80 0.21 0.00 -0.02 0.00 0.00 57.16 56.49 2jxt n GLU 80 Cb 0.78 -1.31 0.71 0.00 -0.02 0.00 0.00 31.44 31.60 2jxt n GLU 80 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jxt h HIS 81 N 0.36 0.00 0.00 -0.32 2.76 -1.57 -3.45 115.15 112.93 2jxt h HIS 81 Ca 0.17 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2jxt h HIS 81 Cb 1.44 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.40 2jxt h HIS 81 CO 0.43 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.64 2jxt n HIS 82 N -4.24 0.00 -1.90 5.26 -0.00 -1.26 -4.84 115.22 108.25 2jxt n HIS 82 Ca 0.10 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.05 2jxt n HIS 82 Cb 0.63 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.44 2jxt n HIS 82 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jxt s HIS 83 N 0.00 1.60 -2.35 1.57 2.46 -1.26 -4.72 115.29 112.58 2jxt s HIS 83 Ca 0.00 1.07 0.21 0.00 0.47 0.00 0.00 55.06 56.82 2jxt s HIS 83 Cb 0.00 -3.84 0.55 0.00 -0.13 0.00 0.00 32.58 29.15 2jxt s HIS 83 CO 0.00 -1.65 1.45 -2.39 -2.47 0.00 0.00 174.74 169.68 2jxt n HIS 84 N 15.54 0.41 -2.23 3.88 1.44 -1.26 -4.90 115.22 128.10 2jxt n HIS 84 Ca 0.42 -0.21 -0.09 0.00 -2.01 0.00 0.00 57.72 55.83 2jxt n HIS 84 Cb 0.46 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.62 2jxt n HIS 84 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jxt n HIS 85 N 0.99 -3.33 0.45 -1.40 8.25 -1.26 -5.29 115.22 113.63 2jxt n HIS 85 Ca 0.18 -0.66 0.05 0.00 -0.26 0.00 0.00 57.72 57.04 2jxt n HIS 85 Cb 0.48 -0.30 0.05 0.00 1.12 0.00 0.00 29.99 31.33 2jxt n HIS 85 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59