#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 3.30 0.03 3.17 2.47 -1.26 -5.04 119.74 122.41 2jxt s LYS 2 Ca 0.00 -0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 53.76 2jxt s LYS 2 Cb 0.00 -3.99 -0.04 0.00 -1.46 0.00 0.00 37.83 32.34 2jxt s LYS 2 CO 0.00 -1.16 0.92 1.41 0.16 0.00 0.00 175.35 176.68 2jxt s MET 3 N 3.12 4.58 -0.27 4.03 -2.45 -1.26 -5.01 119.30 122.04 2jxt s MET 3 Ca 0.25 1.33 -0.29 0.00 -1.25 0.00 0.00 55.69 55.73 2jxt s MET 3 Cb -0.14 -3.42 -0.01 0.00 1.25 0.00 0.00 34.83 32.50 2jxt s MET 3 CO 0.19 0.08 1.53 0.21 1.05 0.00 0.00 175.02 178.08 2jxt s LYS 4 N 0.56 3.76 0.01 4.11 2.20 -1.26 -4.96 119.74 124.16 2jxt s LYS 4 Ca 0.47 1.45 -0.30 0.00 -0.36 0.00 0.00 55.97 57.24 2jxt s LYS 4 Cb -0.21 -4.01 -0.08 0.00 -1.51 0.00 0.00 37.83 32.02 2jxt s LYS 4 CO 0.27 -1.33 1.86 -0.08 -0.36 0.00 0.00 175.35 175.71 2jxt s THR 5 N 5.17 3.18 0.03 3.43 -1.32 -1.26 -4.96 115.64 119.91 2jxt s THR 5 Ca 0.67 0.24 -0.04 0.00 -1.21 0.00 0.00 61.69 61.35 2jxt s THR 5 Cb -0.21 -3.15 -0.05 0.00 -1.51 0.00 0.00 72.50 67.58 2jxt s THR 5 CO 0.28 -0.02 0.25 -0.54 -2.21 0.00 0.00 174.62 172.39 2jxt s LYS 6 N 4.27 3.53 -0.28 7.08 1.02 -0.94 -4.70 119.74 129.72 2jxt s LYS 6 Ca 0.83 -0.19 -0.18 0.00 0.02 0.00 0.00 55.97 56.45 2jxt s LYS 6 Cb -0.40 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2jxt s LYS 6 CO 0.38 0.63 0.52 0.42 -0.92 0.00 0.00 175.35 176.37 2jxt s ILE 7 N -1.38 5.05 -0.15 2.17 1.09 -1.26 -0.49 121.20 126.23 2jxt s ILE 7 Ca 0.30 0.79 -0.05 0.00 -1.10 0.00 0.00 60.65 60.59 2jxt s ILE 7 Cb -0.13 -3.86 -0.03 0.00 -1.06 0.00 0.00 42.46 37.38 2jxt s ILE 7 CO 0.20 0.02 0.00 -0.36 -0.10 0.00 0.00 174.94 174.70 2jxt s PHE 8 N 2.34 3.12 -0.68 3.97 0.40 0.74 -1.62 117.98 126.25 2jxt s PHE 8 Ca 0.21 -0.10 -0.16 0.00 -0.60 0.00 0.00 56.93 56.29 2jxt s PHE 8 Cb -0.16 -1.97 0.16 0.00 0.51 0.00 0.00 43.02 41.57 2jxt s PHE 8 CO 0.10 0.11 0.66 0.50 0.70 0.00 0.00 175.22 177.29 2jxt s ARG 9 N 0.16 3.27 0.26 0.44 3.52 0.24 -1.73 118.95 125.11 2jxt s ARG 9 Ca 0.01 -1.96 -0.19 0.00 -0.13 0.00 0.00 55.73 53.46 2jxt s ARG 9 Cb -0.13 -4.38 -0.09 0.00 -1.56 0.00 0.00 34.95 28.80 2jxt s ARG 9 CO 0.02 -1.36 0.75 0.08 -0.81 0.00 0.00 175.30 173.98 2jxt s VAL 10 N 1.22 4.57 -0.02 7.11 1.01 0.12 -0.80 120.40 133.62 2jxt s VAL 10 Ca 0.11 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.37 2jxt s VAL 10 Cb -0.20 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2jxt s VAL 10 CO -0.02 0.07 -0.17 -0.75 0.00 0.00 0.00 175.10 174.23 2jxt s LYS 11 N -2.32 1.56 0.00 2.72 2.47 0.58 -0.42 119.74 124.33 2jxt s LYS 11 Ca 0.47 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 54.26 2jxt s LYS 11 Cb -0.15 -1.45 0.00 0.00 -1.46 0.00 0.00 37.83 34.78 2jxt s LYS 11 CO 0.20 0.33 0.00 0.41 0.16 0.00 0.00 175.35 176.45 2jxt n GLY 12 N 2.84 1.40 2.83 5.54 0.00 -0.88 -0.46 105.19 116.46 2jxt n GLY 12 Ca -0.16 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.20 0.41 -0.11 1.61 1.02 0.04 -0.23 119.74 121.27 2jxt s LYS 13 Ca 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.98 2jxt s LYS 13 Cb 0.00 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 2jxt s LYS 13 CO 0.00 -0.12 0.05 -0.59 -0.92 0.00 0.00 175.35 173.77 2jxt s PHE 14 N 0.99 3.30 -0.59 3.18 -0.71 -0.17 -1.56 117.98 122.41 2jxt s PHE 14 Ca -0.10 0.26 -0.28 0.00 -1.04 0.00 0.00 56.93 55.77 2jxt s PHE 14 Cb -0.14 -1.88 0.02 0.00 -1.21 0.00 0.00 43.02 39.81 2jxt s PHE 14 CO -0.01 0.48 1.32 -1.17 -1.34 0.00 0.00 175.22 174.50 2jxt s LEU 15 N -0.70 3.39 -0.13 -1.99 1.98 0.35 -1.27 118.68 120.31 2jxt s LEU 15 Ca 0.12 0.13 -0.00 0.00 -2.89 0.00 0.00 54.13 51.49 2jxt s LEU 15 Cb -0.12 -3.04 0.03 0.00 0.66 0.00 0.00 46.19 43.73 2jxt s LEU 15 CO 0.02 -1.64 -0.07 -0.32 -1.89 0.00 0.00 176.35 172.45 2jxt s MET 16 N 5.34 1.55 -1.39 1.98 1.75 -0.38 -4.76 119.30 123.40 2jxt s MET 16 Ca 0.47 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 54.47 2jxt s MET 16 Cb -0.09 -1.75 0.01 0.00 2.84 0.00 0.00 34.83 35.83 2jxt s MET 16 CO 0.24 -0.32 1.12 0.41 -0.65 0.00 0.00 175.02 175.82 2jxt n GLY 17 N 4.91 -0.55 2.66 2.11 0.00 -1.26 -1.31 105.19 111.76 2jxt n GLY 17 Ca -0.13 0.24 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.96 -5.20 -4.22 1.61 9.92 -1.26 -4.98 116.55 109.45 2jxt n ASP 18 Ca -0.01 0.16 -0.35 0.00 -0.53 0.00 0.00 54.79 54.07 2jxt n ASP 18 Cb 0.57 -3.29 -0.14 0.00 -0.64 0.00 0.00 41.12 37.62 2jxt n ASP 18 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2jxt s LYS 19 N -2.30 2.98 -0.95 -1.24 1.02 -0.42 -5.05 119.74 113.78 2jxt s LYS 19 Ca 0.00 -0.88 -0.24 0.00 0.02 0.00 0.00 55.97 54.87 2jxt s LYS 19 Cb 0.00 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 2jxt s LYS 19 CO 0.00 -0.34 1.83 -0.51 -0.92 0.00 0.00 175.35 175.41 2jxt s LEU 20 N 1.36 3.25 -0.17 3.17 1.43 -1.26 -1.25 118.68 125.22 2jxt s LEU 20 Ca 0.02 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 2jxt s LEU 20 Cb -0.16 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2jxt s LEU 20 CO -0.05 -2.44 0.44 -1.10 0.23 0.00 0.00 176.35 173.42 2jxt s GLN 21 N 6.45 4.24 0.64 1.70 -0.21 -0.40 -4.77 119.66 127.31 2jxt s GLN 21 Ca 0.64 0.31 -0.17 0.00 0.02 0.00 0.00 55.36 56.16 2jxt s GLN 21 Cb -0.05 -3.50 -0.01 0.00 1.00 0.00 0.00 33.01 30.45 2jxt s GLN 21 CO -0.02 0.03 1.17 -2.14 -2.12 0.00 0.00 175.29 172.21 2jxt s PRO 22 N 1.07 2.79 -0.03 2.91 0.02 -1.26 -1.00 135.00 139.51 2jxt s PRO 22 Ca 0.22 1.65 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 2jxt s PRO 22 Cb -0.15 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.45 2jxt s PRO 22 CO 0.09 -1.31 0.09 -0.59 -0.33 0.00 0.00 177.00 174.95 2jxt s PHE 23 N -1.92 -0.05 -0.27 6.54 -0.12 0.68 -4.87 117.98 117.97 2jxt s PHE 23 Ca 0.73 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.75 2jxt s PHE 23 Cb -0.26 0.00 0.05 0.00 -0.63 0.00 0.00 43.02 42.18 2jxt s PHE 23 CO 0.37 -0.10 -0.08 0.99 -0.05 0.00 0.00 175.22 176.35 2jxt s THR 24 N -0.32 2.42 -0.21 -4.49 2.01 -1.26 -2.07 115.64 111.72 2jxt s THR 24 Ca -0.04 -1.50 -0.03 0.00 0.31 0.00 0.00 61.69 60.43 2jxt s THR 24 Cb -0.03 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.10 2jxt s THR 24 CO 0.00 -0.01 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.32 2jxt s LYS 25 N 1.16 3.33 -0.42 4.92 -0.14 0.44 -4.96 119.74 124.06 2jxt s LYS 25 Ca -0.07 -0.66 -0.18 0.00 -1.36 0.00 0.00 55.97 53.70 2jxt s LYS 25 Cb -0.19 -2.92 0.02 0.00 -1.68 0.00 0.00 37.83 33.05 2jxt s LYS 25 CO -0.04 -0.17 0.50 -1.21 -0.76 0.00 0.00 175.35 173.67 2jxt s GLU 26 N 1.37 3.17 0.01 1.68 2.02 -1.26 0.16 118.70 125.86 2jxt s GLU 26 Ca 0.05 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2jxt s GLU 26 Cb -0.14 -3.96 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 2jxt s GLU 26 CO -0.04 -0.89 -0.04 -0.48 0.02 0.00 0.00 175.26 173.83 2jxt s LEU 27 N 2.35 2.11 -0.17 1.80 2.34 -0.70 -4.88 118.68 121.52 2jxt s LEU 27 Ca 0.15 -0.26 -0.14 0.00 0.06 0.00 0.00 54.13 53.94 2jxt s LEU 27 Cb -0.16 -0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.31 2jxt s LEU 27 CO 0.15 -0.08 0.32 0.54 -1.06 0.00 0.00 176.35 176.21 2jxt s ASN 28 N -0.70 6.44 0.18 1.48 4.22 -1.26 -0.19 114.94 125.11 2jxt s ASN 28 Ca -0.05 0.51 -0.10 0.00 -2.14 0.00 0.00 52.86 51.08 2jxt s ASN 28 Cb -0.05 -2.19 -0.00 0.00 1.28 0.00 0.00 41.25 40.28 2jxt s ASN 28 CO -0.00 0.06 0.33 0.00 -2.04 0.00 0.00 177.10 175.45 2jxt s ALA 29 N 0.65 -0.12 0.07 3.54 0.00 0.36 -4.86 121.76 121.40 2jxt s ALA 29 Ca 0.17 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 2jxt s ALA 29 Cb -0.13 0.90 -0.18 0.00 0.00 0.00 0.00 23.12 23.70 2jxt s ALA 29 CO 0.05 -0.69 1.24 0.82 0.00 0.00 0.00 175.76 177.18 2jxt h ILE 30 N 2.47 1.32 -2.97 0.00 5.03 -1.93 -2.50 117.51 118.92 2jxt h ILE 30 Ca -0.31 -1.97 0.05 0.00 -0.12 0.00 0.00 64.86 62.51 2jxt h ILE 30 Cb 1.24 2.16 -0.07 0.00 -3.03 0.00 0.00 36.82 37.12 2jxt h ILE 30 CO 0.45 0.61 0.24 0.00 -0.68 0.00 0.00 178.15 178.77 2jxt s ARG 31 N -3.62 1.61 0.50 2.37 1.70 -1.26 -4.89 118.95 115.37 2jxt s ARG 31 Ca -0.11 -0.82 0.18 0.00 -0.47 0.00 0.00 55.73 54.51 2jxt s ARG 31 Cb 0.07 0.59 1.25 0.00 -0.57 0.00 0.00 34.95 36.29 2jxt s ARG 31 CO 0.87 -0.73 2.06 0.93 -1.08 0.00 0.00 175.30 177.35 2jxt h GLU 32 N 2.00 0.11 -0.56 3.89 5.08 -2.00 0.03 114.58 123.13 2jxt h GLU 32 Ca -0.23 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2jxt h GLU 32 Cb 1.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2jxt h GLU 32 CO 0.27 0.07 0.41 0.93 -1.00 0.00 0.00 179.01 179.70 2jxt h GLU 33 N 0.11 0.00 0.16 2.33 4.39 -2.02 -1.31 114.58 118.24 2jxt h GLU 33 Ca 0.15 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.54 2jxt h GLU 33 Cb 0.46 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2jxt h GLU 33 CO -0.02 0.00 -1.54 0.93 -1.16 0.00 0.00 179.01 177.22 2jxt h GLU 34 N 0.00 0.33 -0.20 2.33 4.39 -1.41 -3.38 114.58 116.64 2jxt h GLU 34 Ca 0.27 -0.57 0.06 0.00 0.34 0.00 0.00 59.36 59.46 2jxt h GLU 34 Cb 1.09 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.88 2jxt h GLU 34 CO -0.00 1.27 -0.29 0.82 -1.16 0.00 0.00 179.01 179.65 2jxt h ILE 35 N -0.10 0.33 -0.31 3.13 2.04 -0.99 -0.41 117.51 121.20 2jxt h ILE 35 Ca -0.31 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.62 2jxt h ILE 35 Cb 1.93 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 2jxt h ILE 35 CO 0.13 0.00 -0.18 1.88 0.00 0.00 0.00 178.15 179.98 2jxt h TYR 36 N -0.32 -0.45 -0.46 1.37 0.05 -1.67 -1.35 116.97 114.15 2jxt h TYR 36 Ca 0.12 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 2jxt h TYR 36 Cb 0.51 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 2jxt h TYR 36 CO -0.41 -0.25 0.28 0.93 -1.05 0.00 0.00 178.16 177.65 2jxt h GLU 37 N -0.14 0.62 -0.76 4.88 4.39 -1.63 -1.76 114.58 120.19 2jxt h GLU 37 Ca 0.16 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2jxt h GLU 37 Cb 0.39 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2jxt h GLU 37 CO -0.40 0.46 0.48 0.00 -1.16 0.00 0.00 179.01 178.39 2jxt h ARG 38 N 0.61 1.02 0.00 2.33 2.47 -0.45 0.64 114.38 121.00 2jxt h ARG 38 Ca 0.16 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2jxt h ARG 38 Cb -0.00 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.10 2jxt h ARG 38 CO -0.03 0.70 -0.00 -0.07 0.56 0.00 0.00 179.97 181.13 2jxt h LEU 39 N 1.03 -0.00 -2.65 3.04 3.38 -1.13 0.18 115.31 119.15 2jxt h LEU 39 Ca 0.27 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jxt h LEU 39 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jxt h LEU 39 CO -0.05 0.35 0.00 1.88 0.09 0.00 0.00 178.44 180.71 2jxt h TYR 40 N -0.35 0.00 0.05 1.13 0.05 -1.12 -0.76 116.97 115.97 2jxt h TYR 40 Ca -0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2jxt h TYR 40 Cb 0.35 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 2jxt h TYR 40 CO 0.05 0.00 -0.60 1.03 -1.05 0.00 0.00 178.16 177.59 2jxt h SER 41 N 0.00 0.17 0.43 3.88 0.87 -0.64 -3.16 113.55 115.10 2jxt h SER 41 Ca 0.00 -0.89 -0.02 0.00 -1.23 0.00 0.00 61.79 59.65 2jxt h SER 41 Cb 0.01 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2jxt h SER 41 CO -0.00 1.26 -0.20 -0.08 -0.53 0.00 0.00 176.83 177.28 2jxt h GLU 42 N -0.74 -0.55 -0.80 2.24 4.81 -0.00 0.14 114.58 119.67 2jxt h GLU 42 Ca -0.13 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2jxt h GLU 42 Cb 1.32 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.78 2jxt h GLU 42 CO 0.01 -0.31 0.53 0.74 -0.73 0.00 0.00 179.01 179.25 2jxt h PHE 43 N -0.68 0.99 0.00 0.92 0.04 -1.37 0.39 116.94 117.23 2jxt h PHE 43 Ca -0.06 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 2jxt h PHE 43 Cb 0.50 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 2jxt h PHE 43 CO -0.02 0.61 -0.12 0.78 -0.60 0.00 0.00 178.31 178.97 2jxt h GLY 44 N 1.06 0.00 0.01 -1.45 0.00 -1.19 0.16 103.07 101.66 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 -0.07 0.00 -0.00 0.23 0.00 0.00 0.00 176.54 176.69 2jxt h SER 45 N 0.00 -0.01 0.05 0.19 0.87 0.92 -2.89 113.55 112.68 2jxt h SER 45 Ca -0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 2jxt h SER 45 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2jxt h SER 45 CO 0.02 0.07 -0.60 0.07 -0.53 0.00 0.00 176.83 175.86 2jxt h LYS 46 N -0.16 0.55 0.00 2.24 2.10 -1.08 -3.31 116.57 116.90 2jxt h LYS 46 Ca -0.00 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2jxt h LYS 46 Cb 0.01 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2jxt h LYS 46 CO 0.00 0.98 0.00 0.72 -2.00 0.00 0.00 179.45 179.15 2jxt n HIS 47 N -3.93 0.00 -1.39 0.07 8.25 -0.63 -5.00 115.22 112.58 2jxt n HIS 47 Ca -0.04 -0.35 -0.13 0.00 -0.26 0.00 0.00 57.72 56.94 2jxt n HIS 47 Cb 0.63 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.35 -1.51 -2.84 -0.41 1.74 0.41 -4.90 116.66 108.80 2jxt n ARG 48 Ca 0.00 0.96 -0.42 0.00 -0.77 0.00 0.00 57.85 57.62 2jxt n ARG 48 Cb 0.20 -5.31 -0.04 0.00 -1.02 0.00 0.00 32.46 26.29 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 -2.22 4.64 0.78 1.55 1.01 -0.36 -4.75 120.40 121.06 2jxt s VAL 49 Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 2jxt s VAL 49 Cb 0.00 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.15 2jxt s VAL 49 CO 0.00 -0.47 1.13 -2.16 0.00 0.00 0.00 175.10 173.60 2jxt s PRO 50 N 3.33 2.23 0.51 2.72 0.04 -1.26 -1.64 135.00 140.93 2jxt s PRO 50 Ca 0.36 0.34 0.26 0.00 0.04 0.00 0.00 61.00 62.00 2jxt s PRO 50 Cb -0.13 -1.96 1.36 0.00 0.04 0.00 0.00 34.50 33.82 2jxt s PRO 50 CO 0.17 -1.46 1.92 0.07 0.04 0.00 0.00 177.00 177.74 2jxt h ARG 51 N -0.96 0.09 -0.06 4.56 0.11 -1.90 -0.06 114.38 116.17 2jxt h ARG 51 Ca -0.46 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 59.63 2jxt h ARG 51 Cb 1.29 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 2jxt h ARG 51 CO 0.64 0.06 0.04 1.03 0.10 0.00 0.00 179.97 181.84 2jxt h SER 52 N 0.10 0.00 0.00 0.08 0.87 -1.99 -3.01 113.55 109.60 2jxt h SER 52 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2jxt h SER 52 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2jxt h SER 52 CO -0.04 0.00 -0.71 0.29 -0.53 0.00 0.00 176.83 175.83 2jxt n LYS 53 N -4.36 2.84 -3.13 2.24 4.76 -0.09 -4.89 118.16 115.53 2jxt n LYS 53 Ca -0.02 -0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 54.97 2jxt n LYS 53 Cb 0.15 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.15 4.83 -0.29 -0.18 1.01 -0.87 -0.49 120.40 122.25 2jxt s VAL 54 Ca 0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 2jxt s VAL 54 Cb 0.08 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2jxt s VAL 54 CO 0.43 -0.77 0.11 -0.75 0.00 0.00 0.00 175.10 174.12 2jxt s LYS 55 N 2.77 3.35 -0.05 2.72 2.36 -0.60 -4.87 119.74 125.41 2jxt s LYS 55 Ca 0.18 -0.69 -0.24 0.00 -2.55 0.00 0.00 55.97 52.66 2jxt s LYS 55 Cb -0.17 -3.45 -0.04 0.00 -1.05 0.00 0.00 37.83 33.12 2jxt s LYS 55 CO 0.14 -0.36 0.73 0.42 1.55 0.00 0.00 175.35 177.83 2jxt s ILE 56 N 1.58 5.01 -0.25 5.43 1.01 -1.26 -0.78 121.20 131.95 2jxt s ILE 56 Ca 0.04 1.51 -0.04 0.00 0.00 0.00 0.00 60.65 62.17 2jxt s ILE 56 Cb -0.17 -4.07 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 2jxt s ILE 56 CO 0.04 0.25 -0.26 -0.62 0.00 0.00 0.00 174.94 174.36 2jxt n GLU 57 N 3.73 0.58 -3.59 2.79 1.02 0.39 -4.95 120.64 120.61 2jxt n GLU 57 Ca -0.01 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 2jxt n GLU 57 Cb 0.51 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.42 2jxt n GLU 57 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2jxt s GLU 58 N -2.48 1.04 -0.19 3.49 -1.05 -0.68 -5.02 118.70 113.81 2jxt s GLU 58 Ca -0.34 -0.36 -0.01 0.00 -0.15 0.00 0.00 54.97 54.11 2jxt s GLU 58 Cb 0.10 0.47 0.05 0.00 -0.44 0.00 0.00 34.13 34.31 2jxt s GLU 58 CO 0.52 -0.38 -0.02 0.42 0.95 0.00 0.00 175.26 176.74 2jxt s ILE 59 N -2.79 0.98 0.56 1.83 1.01 -1.26 -0.31 121.20 121.22 2jxt s ILE 59 Ca -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 2jxt s ILE 59 Cb -0.00 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.19 2jxt s ILE 59 CO -0.04 -0.03 0.83 -1.61 0.00 0.00 0.00 174.94 174.09 2jxt s GLU 60 N 1.67 2.85 -0.14 2.79 2.02 0.02 -4.91 118.70 123.00 2jxt s GLU 60 Ca -0.01 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 2jxt s GLU 60 Cb -0.17 -2.36 0.03 0.00 0.10 0.00 0.00 34.13 31.73 2jxt s GLU 60 CO -0.07 -0.64 -0.06 -2.00 0.02 0.00 0.00 175.26 172.51 2jxt s GLU 61 N -4.87 1.46 0.16 1.61 -6.30 -1.26 -0.59 118.70 108.91 2jxt s GLU 61 Ca 0.53 -0.39 0.10 0.00 -2.50 0.00 0.00 54.97 52.72 2jxt s GLU 61 Cb -0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 34.13 32.18 2jxt s GLU 61 CO 0.42 -0.36 -0.23 0.96 0.02 0.00 0.00 175.26 176.08 2jxt s ILE 62 N 1.68 2.14 0.24 -3.70 -4.36 -0.64 -4.94 121.20 111.62 2jxt s ILE 62 Ca 0.03 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.23 2jxt s ILE 62 Cb -0.14 -1.97 -0.10 0.00 1.25 0.00 0.00 42.46 41.51 2jxt s ILE 62 CO -0.08 -0.11 1.40 -0.44 0.24 0.00 0.00 174.94 175.96 2jxt s SER 63 N -2.44 6.72 0.29 4.36 0.01 -1.26 -4.29 113.70 117.08 2jxt s SER 63 Ca 0.16 2.60 0.04 0.00 1.31 0.00 0.00 55.95 60.06 2jxt s SER 63 Cb -0.08 -2.62 0.70 0.00 0.21 0.00 0.00 66.02 64.23 2jxt s SER 63 CO 0.08 -0.65 1.73 -0.65 0.41 0.00 0.00 173.24 174.15 2jxt h PRO 64 N 5.11 0.52 0.00 12.44 0.11 -1.97 0.66 132.00 148.87 2jxt h PRO 64 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2jxt h PRO 64 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jxt h PRO 64 CO 0.77 0.35 -0.07 1.05 -0.21 0.00 0.00 178.00 179.89 2jxt h GLU 65 N 0.54 0.00 -0.38 1.05 4.11 -1.95 -3.07 114.58 114.87 2jxt h GLU 65 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 2jxt h GLU 65 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2jxt h GLU 65 CO -0.46 0.07 0.00 0.39 0.07 0.00 0.00 179.01 179.08 2jxt n GLU 66 N -3.19 2.31 -2.34 1.06 -0.58 0.21 -4.93 120.64 113.18 2jxt n GLU 66 Ca 0.00 -1.99 -0.42 0.00 -0.42 0.00 0.00 57.16 54.34 2jxt n GLU 66 Cb 0.35 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 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 -1.50 3.98 -0.02 2.62 1.01 -1.15 -4.92 120.40 120.42 2jxt s VAL 67 Ca 0.37 1.33 0.17 0.00 0.00 0.00 0.00 61.98 63.85 2jxt s VAL 67 Cb 0.21 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.83 2jxt s VAL 67 CO 0.29 -0.00 1.57 1.56 0.00 0.00 0.00 175.10 178.52 2jxt h GLN 68 N 7.65 0.00 -6.29 2.72 1.08 -1.92 -3.43 115.11 114.93 2jxt h GLN 68 Ca -0.36 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.28 2jxt h GLN 68 Cb 1.17 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 2jxt h GLN 68 CO 0.89 0.45 1.05 0.34 -0.95 0.00 0.00 178.83 180.62 2jxt s ASP 69 N -6.43 6.55 0.24 1.46 -1.08 -1.26 -4.92 116.67 111.23 2jxt s ASP 69 Ca 0.02 1.53 0.01 0.00 -0.52 0.00 0.00 52.55 53.60 2jxt s ASP 69 Cb 0.09 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.30 2jxt s ASP 69 CO 0.72 -1.12 1.62 1.55 0.52 0.00 0.00 175.17 178.46 2jxt h PRO 70 N 9.91 0.46 0.41 4.34 0.13 -1.99 -2.39 132.00 142.87 2jxt h PRO 70 Ca -0.31 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 2jxt h PRO 70 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jxt h PRO 70 CO 1.01 0.79 -0.20 0.28 -0.23 0.00 0.00 178.00 179.65 2jxt h VAL 71 N 0.38 0.46 -0.49 1.56 2.07 -1.97 -0.04 116.25 118.22 2jxt h VAL 71 Ca 0.03 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2jxt h VAL 71 Cb 0.88 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2jxt h VAL 71 CO 0.07 0.08 0.29 0.58 0.02 0.00 0.00 177.57 178.61 2jxt h VAL 72 N -0.93 1.04 -0.16 2.57 2.07 -1.90 -1.68 116.25 117.26 2jxt h VAL 72 Ca -0.06 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2jxt h VAL 72 Cb 0.56 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2jxt h VAL 72 CO 0.09 0.10 0.07 0.50 0.02 0.00 0.00 177.57 178.35 2jxt h LYS 73 N 0.57 0.24 -0.21 1.57 3.64 -1.46 -2.82 116.57 118.11 2jxt h LYS 73 Ca 0.20 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2jxt h LYS 73 Cb 0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2jxt h LYS 73 CO -0.10 0.31 0.06 0.00 -2.27 0.00 0.00 179.45 177.46 2jxt h ALA 74 N 0.91 1.72 -0.68 5.00 0.00 -0.84 0.86 119.26 126.23 2jxt h ALA 74 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jxt h ALA 74 Cb 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jxt h ALA 74 CO -0.00 0.22 0.40 1.25 0.00 0.00 0.00 179.25 181.12 2jxt h LEU 75 N 0.29 0.82 0.08 0.00 6.46 -1.06 -2.53 115.31 119.37 2jxt h LEU 75 Ca 0.07 -0.05 -0.22 0.00 -0.12 0.00 0.00 57.88 57.57 2jxt h LEU 75 Cb 0.10 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 2jxt h LEU 75 CO -0.01 0.64 -1.12 0.58 -0.62 0.00 0.00 178.44 177.92 2jxt h VAL 76 N 0.94 1.18 0.00 1.05 2.07 -1.11 -3.36 116.25 117.02 2jxt h VAL 76 Ca 0.24 -2.38 -0.00 0.00 0.82 0.00 0.00 66.70 65.39 2jxt h VAL 76 Cb -0.02 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2jxt h VAL 76 CO -0.04 0.63 -0.00 1.56 0.02 0.00 0.00 177.57 179.73 2jxt h GLN 77 N -0.52 0.00 0.00 1.57 4.20 -0.87 0.13 115.11 119.63 2jxt h GLN 77 Ca -0.25 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.28 2jxt h GLN 77 Cb 1.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.33 2jxt h GLN 77 CO 0.02 0.00 -0.84 0.07 -0.67 0.00 0.00 178.83 177.41 2jxt h ARG 78 N 0.00 0.03 0.00 1.46 0.11 -1.59 -3.26 114.38 111.13 2jxt h ARG 78 Ca -0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2jxt h ARG 78 Cb 0.01 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2jxt h ARG 78 CO 0.00 0.85 -1.14 1.47 0.10 0.00 0.00 179.97 181.25 2jxt n LEU 79 N -3.57 0.70 -4.62 0.08 -0.00 -0.41 -4.89 117.00 104.29 2jxt n LEU 79 Ca -0.01 -0.27 -0.43 0.00 -0.00 0.00 0.00 56.01 55.30 2jxt n LEU 79 Cb 0.80 -0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 44.15 2jxt n LEU 79 CO 0.45 0.15 1.33 -0.70 -0.00 0.00 0.00 177.39 178.62 2jxt s GLU 80 N -3.13 3.69 -0.63 1.47 -6.30 0.32 -4.90 118.70 109.22 2jxt s GLU 80 Ca 0.05 1.39 -0.38 0.00 -2.50 0.00 0.00 54.97 53.52 2jxt s GLU 80 Cb 0.15 -4.03 -0.18 0.00 0.00 0.00 0.00 34.13 30.07 2jxt s GLU 80 CO 0.85 -1.42 2.32 -2.39 0.02 0.00 0.00 175.26 174.64 2jxt n HIS 81 N 8.71 1.05 -0.76 5.30 1.44 -1.26 -4.90 115.22 124.80 2jxt n HIS 81 Ca 0.18 0.56 -0.29 0.00 -2.01 0.00 0.00 57.72 56.16 2jxt n HIS 81 Cb 0.46 -2.36 0.24 0.00 0.12 0.00 0.00 29.99 28.45 2jxt n HIS 81 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jxt s HIS 82 N 7.30 0.82 -0.18 -1.40 3.76 -1.26 -3.80 115.29 120.53 2jxt s HIS 82 Ca 1.22 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 56.95 2jxt s HIS 82 Cb -1.29 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 29.24 2jxt s HIS 82 CO 0.57 -3.98 0.00 0.72 -0.85 0.00 0.00 174.74 171.20 2jxt n HIS 83 N -4.93 0.00 -2.48 1.40 8.25 -1.26 -5.00 115.22 111.21 2jxt n HIS 83 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 2jxt n HIS 83 Cb 0.58 -0.87 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 2jxt n HIS 83 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jxt s HIS 84 N -1.82 2.89 0.10 4.41 -0.00 -1.25 -4.57 115.29 115.06 2jxt s HIS 84 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 55.06 56.10 2jxt s HIS 84 Cb 0.00 -3.65 0.00 0.00 -0.00 0.00 0.00 32.58 28.93 2jxt s HIS 84 CO 0.00 -1.43 0.00 1.58 -0.00 0.00 0.00 174.74 174.89 2jxt n HIS 85 N 6.99 -2.28 1.12 0.38 -0.00 -1.26 -5.20 115.22 114.97 2jxt n HIS 85 Ca 0.14 0.35 0.12 0.00 0.46 0.00 0.00 57.72 58.79 2jxt n HIS 85 Cb 0.46 1.12 0.20 0.00 -0.12 0.00 0.00 29.99 31.65 2jxt n HIS 85 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52