#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 2.92 0.32 3.17 3.01 -1.26 -4.87 119.74 123.04 2jxt s LYS 2 Ca 0.00 -1.02 -0.03 0.00 -1.01 0.00 0.00 55.97 53.91 2jxt s LYS 2 Cb 0.00 -5.25 -0.00 0.00 -1.01 0.00 0.00 37.83 31.57 2jxt s LYS 2 CO 0.00 -3.24 0.45 0.00 0.51 0.00 0.00 175.35 173.06 2jxt s MET 3 N 6.05 1.83 0.23 1.68 0.23 -1.26 -5.15 119.30 122.91 2jxt s MET 3 Ca 0.63 -1.71 -0.30 0.00 -1.03 0.00 0.00 55.69 53.29 2jxt s MET 3 Cb -0.02 0.43 -0.09 0.00 -1.53 0.00 0.00 34.83 33.63 2jxt s MET 3 CO 0.04 -0.75 1.26 0.21 -2.03 0.00 0.00 175.02 173.76 2jxt s LYS 4 N -3.23 4.44 -0.29 3.16 2.20 -1.26 -4.94 119.74 119.81 2jxt s LYS 4 Ca 0.31 2.01 -0.28 0.00 -0.36 0.00 0.00 55.97 57.64 2jxt s LYS 4 Cb 0.00 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2jxt s LYS 4 CO 0.19 -0.15 1.90 -0.08 -0.36 0.00 0.00 175.35 176.85 2jxt s THR 5 N -0.27 3.36 0.66 3.43 -1.32 -1.26 -4.82 115.64 115.42 2jxt s THR 5 Ca 0.53 0.37 -0.10 0.00 -1.21 0.00 0.00 61.69 61.28 2jxt s THR 5 Cb -0.36 -3.47 -0.00 0.00 -1.51 0.00 0.00 72.50 67.16 2jxt s THR 5 CO 0.40 -0.29 1.04 -0.54 -2.21 0.00 0.00 174.62 173.03 2jxt s LYS 6 N 5.74 3.08 -0.19 7.08 1.02 -0.47 -4.65 119.74 131.36 2jxt s LYS 6 Ca 0.85 0.46 -0.08 0.00 0.02 0.00 0.00 55.97 57.22 2jxt s LYS 6 Cb -0.26 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2jxt s LYS 6 CO 0.34 -0.84 0.07 0.42 -0.92 0.00 0.00 175.35 174.42 2jxt s ILE 7 N -3.24 4.81 -0.13 2.17 1.09 -1.21 -0.22 121.20 124.47 2jxt s ILE 7 Ca 0.56 -0.02 0.01 0.00 -1.10 0.00 0.00 60.65 60.10 2jxt s ILE 7 Cb -0.11 -3.18 -0.01 0.00 -1.06 0.00 0.00 42.46 38.11 2jxt s ILE 7 CO 0.51 0.45 -0.17 -0.36 -0.10 0.00 0.00 174.94 175.27 2jxt s PHE 8 N 0.48 2.73 -0.95 3.97 0.40 0.56 -0.80 117.98 124.37 2jxt s PHE 8 Ca 0.04 -0.89 -0.17 0.00 -0.60 0.00 0.00 56.93 55.31 2jxt s PHE 8 Cb -0.13 -1.82 0.15 0.00 0.51 0.00 0.00 43.02 41.74 2jxt s PHE 8 CO 0.01 -0.36 1.11 0.50 0.70 0.00 0.00 175.22 177.18 2jxt s ARG 9 N 0.50 3.68 0.13 0.44 3.52 0.13 -1.64 118.95 125.70 2jxt s ARG 9 Ca -0.11 -2.01 -0.30 0.00 -0.13 0.00 0.00 55.73 53.18 2jxt s ARG 9 Cb -0.16 -4.85 -0.06 0.00 -1.56 0.00 0.00 34.95 28.32 2jxt s ARG 9 CO 0.05 -1.68 0.95 0.08 -0.81 0.00 0.00 175.30 173.89 2jxt s VAL 10 N 2.04 4.44 -0.09 7.11 1.01 1.00 -2.25 120.40 133.65 2jxt s VAL 10 Ca 0.31 2.07 0.03 0.00 0.00 0.00 0.00 61.98 64.39 2jxt s VAL 10 Cb -0.06 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 2jxt s VAL 10 CO -0.08 0.35 -0.18 -0.75 0.00 0.00 0.00 175.10 174.43 2jxt s LYS 11 N -0.19 2.99 0.00 2.72 2.47 0.66 -0.34 119.74 128.06 2jxt s LYS 11 Ca 0.46 -0.77 0.00 0.00 -1.56 0.00 0.00 55.97 54.09 2jxt s LYS 11 Cb -0.24 -2.42 0.00 0.00 -1.46 0.00 0.00 37.83 33.71 2jxt s LYS 11 CO 0.30 0.31 0.00 0.41 0.16 0.00 0.00 175.35 176.53 2jxt n GLY 12 N 3.19 1.34 2.72 5.54 0.00 -0.80 -0.93 105.19 116.26 2jxt n GLY 12 Ca -0.18 -0.74 -0.18 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 -0.18 0.01 -0.14 1.61 1.02 0.50 0.09 119.74 122.65 2jxt s LYS 13 Ca 0.00 0.28 -0.03 0.00 0.02 0.00 0.00 55.97 56.23 2jxt s LYS 13 Cb 0.00 -0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.82 2jxt s LYS 13 CO 0.00 -0.26 -0.03 -0.59 -0.92 0.00 0.00 175.35 173.55 2jxt s PHE 14 N 1.72 3.06 -0.63 3.18 -0.71 -0.32 -1.31 117.98 122.97 2jxt s PHE 14 Ca -0.01 -0.16 -0.27 0.00 -1.04 0.00 0.00 56.93 55.45 2jxt s PHE 14 Cb -0.12 -1.92 0.01 0.00 -1.21 0.00 0.00 43.02 39.77 2jxt s PHE 14 CO -0.03 0.09 1.49 -1.17 -1.34 0.00 0.00 175.22 174.26 2jxt s LEU 15 N 0.08 3.29 -0.14 -1.99 1.98 0.23 -1.42 118.68 120.71 2jxt s LEU 15 Ca 0.00 0.08 0.01 0.00 -2.89 0.00 0.00 54.13 51.33 2jxt s LEU 15 Cb -0.13 -2.76 0.02 0.00 0.66 0.00 0.00 46.19 43.97 2jxt s LEU 15 CO 0.02 -1.93 -0.17 -0.32 -1.89 0.00 0.00 176.35 172.07 2jxt s MET 16 N 5.99 2.52 -1.20 1.98 1.75 0.69 -4.75 119.30 126.29 2jxt s MET 16 Ca 0.51 -0.66 -0.05 0.00 -1.25 0.00 0.00 55.69 54.25 2jxt s MET 16 Cb -0.11 -2.19 0.01 0.00 2.84 0.00 0.00 34.83 35.38 2jxt s MET 16 CO 0.21 -0.15 1.03 0.41 -0.65 0.00 0.00 175.02 175.86 2jxt n GLY 17 N 4.49 -0.38 2.75 2.11 0.00 -1.26 -2.21 105.19 110.69 2jxt n GLY 17 Ca -0.19 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.82 -5.70 -4.20 1.61 8.00 -1.26 -4.97 116.55 107.22 2jxt n ASP 18 Ca -0.11 0.33 -0.23 0.00 0.71 0.00 0.00 54.79 55.49 2jxt n ASP 18 Cb 0.60 -4.37 -0.14 0.00 -0.02 0.00 0.00 41.12 37.19 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 -3.13 1.20 -0.41 -1.24 1.02 -0.94 -5.12 119.74 111.13 2jxt s LYS 19 Ca 0.00 -0.85 -0.22 0.00 0.02 0.00 0.00 55.97 54.92 2jxt s LYS 19 Cb 0.00 -1.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.05 2jxt s LYS 19 CO 0.00 0.32 0.70 -0.51 -0.92 0.00 0.00 175.35 174.94 2jxt s LEU 20 N -1.13 4.32 -0.32 3.17 1.43 -1.26 -0.22 118.68 124.66 2jxt s LEU 20 Ca 0.05 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2jxt s LEU 20 Cb -0.08 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2jxt s LEU 20 CO 0.01 -0.76 0.23 -1.10 0.23 0.00 0.00 176.35 174.96 2jxt s GLN 21 N 2.96 3.62 -0.03 1.70 1.11 -0.51 -4.89 119.66 123.62 2jxt s GLN 21 Ca 0.26 -0.55 -0.30 0.00 0.01 0.00 0.00 55.36 54.78 2jxt s GLN 21 Cb -0.13 -3.77 -0.05 0.00 -1.01 0.00 0.00 33.01 28.04 2jxt s GLN 21 CO 0.19 -0.38 1.46 -1.25 0.01 0.00 0.00 175.29 175.32 2jxt s PRO 22 N 1.74 4.25 0.10 2.91 0.04 -1.26 -1.17 135.00 141.60 2jxt s PRO 22 Ca 0.06 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.17 2jxt s PRO 22 Cb -0.17 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2jxt s PRO 22 CO 0.11 -0.67 -0.07 -0.59 0.04 0.00 0.00 177.00 175.82 2jxt s PHE 23 N 2.96 2.81 -0.51 0.56 -0.12 0.11 -4.95 117.98 118.84 2jxt s PHE 23 Ca 0.65 -0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.45 2jxt s PHE 23 Cb -0.31 -1.46 0.14 0.00 -0.63 0.00 0.00 43.02 40.76 2jxt s PHE 23 CO 0.26 0.44 0.29 0.99 -0.05 0.00 0.00 175.22 177.15 2jxt s THR 24 N -1.25 2.02 -0.41 -4.49 2.01 -1.26 -1.90 115.64 110.37 2jxt s THR 24 Ca 0.23 -3.10 -0.16 0.00 0.31 0.00 0.00 61.69 58.96 2jxt s THR 24 Cb -0.11 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2jxt s THR 24 CO 0.15 -0.89 0.40 -0.54 -0.69 0.00 0.00 174.62 173.05 2jxt s LYS 25 N -0.17 3.15 -0.48 4.92 -0.14 0.54 -4.90 119.74 122.67 2jxt s LYS 25 Ca 0.19 -0.75 -0.24 0.00 -1.36 0.00 0.00 55.97 53.82 2jxt s LYS 25 Cb -0.21 -3.94 0.03 0.00 -1.68 0.00 0.00 37.83 32.03 2jxt s LYS 25 CO -0.03 -0.78 0.84 -1.21 -0.76 0.00 0.00 175.35 173.42 2jxt s GLU 26 N 2.03 3.40 0.05 1.68 2.02 -1.26 -0.00 118.70 126.62 2jxt s GLU 26 Ca 0.11 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 54.97 2jxt s GLU 26 Cb -0.17 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 2jxt s GLU 26 CO 0.13 -1.24 -0.05 -0.48 0.02 0.00 0.00 175.26 173.64 2jxt s LEU 27 N 3.52 2.39 -0.07 1.80 2.34 -0.65 -4.83 118.68 123.18 2jxt s LEU 27 Ca 0.31 -0.80 -0.13 0.00 0.06 0.00 0.00 54.13 53.56 2jxt s LEU 27 Cb -0.12 0.04 -0.05 0.00 -0.56 0.00 0.00 46.19 45.49 2jxt s LEU 27 CO 0.22 -0.42 0.33 0.54 -1.06 0.00 0.00 176.35 175.96 2jxt s ASN 28 N -2.37 6.62 0.16 1.48 4.22 -1.26 -0.32 114.94 123.47 2jxt s ASN 28 Ca -0.00 0.74 -0.22 0.00 -2.14 0.00 0.00 52.86 51.23 2jxt s ASN 28 Cb -0.00 -2.20 0.07 0.00 1.28 0.00 0.00 41.25 40.39 2jxt s ASN 28 CO -0.05 0.26 0.58 0.00 -2.04 0.00 0.00 177.10 175.86 2jxt s ALA 29 N -0.54 -1.53 -0.08 3.54 0.00 0.69 -4.96 121.76 118.88 2jxt s ALA 29 Ca 0.20 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 2jxt s ALA 29 Cb -0.15 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 2jxt s ALA 29 CO 0.09 -0.76 0.42 0.82 0.00 0.00 0.00 175.76 176.32 2jxt h ILE 30 N 2.03 0.45 -3.07 0.00 5.03 -1.88 -1.23 117.51 118.84 2jxt h ILE 30 Ca -0.34 -1.15 -0.42 0.00 -0.12 0.00 0.00 64.86 62.83 2jxt h ILE 30 Cb 1.30 0.81 -0.15 0.00 -3.03 0.00 0.00 36.82 35.75 2jxt h ILE 30 CO 0.38 0.14 -0.73 0.00 -0.68 0.00 0.00 178.15 177.26 2jxt s ARG 31 N -2.39 1.24 0.42 2.37 1.70 -1.26 -4.71 118.95 116.31 2jxt s ARG 31 Ca -0.07 -1.52 0.16 0.00 -0.47 0.00 0.00 55.73 53.82 2jxt s ARG 31 Cb -0.00 -0.99 1.03 0.00 -0.57 0.00 0.00 34.95 34.42 2jxt s ARG 31 CO 0.25 0.16 1.89 0.93 -1.08 0.00 0.00 175.30 177.45 2jxt h GLU 32 N 2.72 0.43 -0.83 3.89 5.08 -2.01 0.30 114.58 124.15 2jxt h GLU 32 Ca -0.38 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2jxt h GLU 32 Cb 1.21 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2jxt h GLU 32 CO 0.61 0.29 0.54 0.93 -1.00 0.00 0.00 179.01 180.38 2jxt h GLU 33 N 0.45 0.63 -0.38 2.33 3.07 -2.02 -1.32 114.58 117.34 2jxt h GLU 33 Ca 0.41 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.15 2jxt h GLU 33 Cb 0.94 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 2jxt h GLU 33 CO -0.15 0.42 -0.10 0.93 -1.40 0.00 0.00 179.01 178.71 2jxt h GLU 34 N 0.65 0.73 -0.58 2.33 4.39 -1.35 -3.29 114.58 117.47 2jxt h GLU 34 Ca 0.41 -0.28 0.12 0.00 0.34 0.00 0.00 59.36 59.94 2jxt h GLU 34 Cb 0.65 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.17 2jxt h GLU 34 CO -0.17 0.88 0.02 0.82 -1.16 0.00 0.00 179.01 179.40 2jxt h ILE 35 N 0.54 0.54 -0.21 3.13 2.04 -1.18 -0.88 117.51 121.48 2jxt h ILE 35 Ca 0.09 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2jxt h ILE 35 Cb 0.62 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2jxt h ILE 35 CO 0.04 0.02 -0.15 1.88 0.00 0.00 0.00 178.15 179.94 2jxt h TYR 36 N 0.14 -0.38 -0.10 1.37 0.05 -1.61 -0.30 116.97 116.14 2jxt h TYR 36 Ca 0.30 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 59.01 2jxt h TYR 36 Cb 0.48 0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 2jxt h TYR 36 CO -0.33 -0.22 -0.39 0.93 -1.05 0.00 0.00 178.16 177.10 2jxt h GLU 37 N -0.15 0.22 -0.10 4.88 5.08 -1.54 -1.84 114.58 121.13 2jxt h GLU 37 Ca 0.12 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jxt h GLU 37 Cb 0.33 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2jxt h GLU 37 CO -0.30 0.57 0.05 0.00 -1.00 0.00 0.00 179.01 178.33 2jxt h ARG 38 N 0.18 0.15 -0.40 2.33 2.47 -0.40 -2.83 114.38 115.88 2jxt h ARG 38 Ca 0.02 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2jxt h ARG 38 Cb 0.77 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 2jxt h ARG 38 CO 0.06 0.21 0.10 -0.07 0.56 0.00 0.00 179.97 180.83 2jxt h LEU 39 N 0.05 0.61 -0.91 3.04 3.38 -0.91 -2.76 115.31 117.81 2jxt h LEU 39 Ca 0.04 -0.23 0.17 0.00 0.09 0.00 0.00 57.88 57.94 2jxt h LEU 39 Cb 0.11 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 2jxt h LEU 39 CO -0.00 0.69 0.49 1.88 0.09 0.00 0.00 178.44 181.58 2jxt h TYR 40 N 0.51 0.85 0.42 1.13 0.05 -1.33 -0.72 116.97 117.88 2jxt h TYR 40 Ca 0.13 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 2jxt h TYR 40 Cb 0.31 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2jxt h TYR 40 CO 0.02 0.17 -0.20 1.03 -1.05 0.00 0.00 178.16 178.12 2jxt h SER 41 N 0.64 -0.48 0.11 3.88 0.87 -1.25 -2.60 113.55 114.72 2jxt h SER 41 Ca 0.52 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 2jxt h SER 41 Cb 0.79 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2jxt h SER 41 CO -0.39 -0.29 -0.05 -0.08 -0.53 0.00 0.00 176.83 175.48 2jxt h GLU 42 N -0.64 -0.15 -0.57 2.24 4.81 -1.13 0.74 114.58 119.88 2jxt h GLU 42 Ca -0.06 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2jxt h GLU 42 Cb 0.48 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2jxt h GLU 42 CO 0.10 0.11 0.26 0.74 -0.73 0.00 0.00 179.01 179.48 2jxt h PHE 43 N -0.39 0.46 -0.40 0.92 0.04 -1.26 0.24 116.94 116.55 2jxt h PHE 43 Ca -0.02 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 2jxt h PHE 43 Cb 0.32 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2jxt h PHE 43 CO 0.01 0.18 0.02 0.78 -0.60 0.00 0.00 178.31 178.70 2jxt h GLY 44 N 0.48 0.68 0.41 -1.45 0.00 -1.04 -0.77 103.07 101.38 2jxt h GLY 44 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2jxt h GLY 44 CO -0.23 0.39 -0.20 0.23 0.00 0.00 0.00 176.54 176.73 2jxt h SER 45 N 0.60 -0.46 0.63 0.19 0.87 0.81 -1.83 113.55 114.36 2jxt h SER 45 Ca 0.13 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2jxt h SER 45 Cb 0.35 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2jxt h SER 45 CO 0.01 -0.19 -0.55 2.29 -0.53 0.00 0.00 176.83 177.86 2jxt n LYS 46 N -4.25 0.11 0.00 2.24 2.85 -0.09 -4.23 118.16 114.78 2jxt n LYS 46 Ca -0.07 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2jxt n LYS 46 Cb 0.22 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 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 -1.71 0.00 -1.56 5.58 8.25 -0.38 -5.01 115.22 120.39 2jxt n HIS 47 Ca 0.05 -0.14 -0.17 0.00 -0.26 0.00 0.00 57.72 57.20 2jxt n HIS 47 Cb 0.37 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.14 -1.41 -2.68 -0.41 3.00 -0.69 -4.88 116.66 109.45 2jxt n ARG 48 Ca 0.00 0.98 -0.43 0.00 -0.01 0.00 0.00 57.85 58.39 2jxt n ARG 48 Cb 0.36 -5.32 -0.02 0.00 0.00 0.00 0.00 32.46 27.48 2jxt n ARG 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2jxt s VAL 49 N -2.45 4.76 0.56 1.55 1.01 -0.67 -4.82 120.40 120.34 2jxt s VAL 49 Ca 0.00 2.04 -0.19 0.00 0.00 0.00 0.00 61.98 63.83 2jxt s VAL 49 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2jxt s VAL 49 CO 0.00 -0.04 1.13 -2.84 0.00 0.00 0.00 175.10 173.35 2jxt s PRO 50 N 2.31 3.24 0.51 2.72 0.02 -1.26 -2.31 135.00 140.23 2jxt s PRO 50 Ca 0.47 1.60 0.22 0.00 0.02 0.00 0.00 61.00 63.31 2jxt s PRO 50 Cb -0.17 -1.99 1.31 0.00 0.02 0.00 0.00 34.50 33.66 2jxt s PRO 50 CO 0.15 -0.94 2.01 0.07 -0.33 0.00 0.00 177.00 177.95 2jxt h ARG 51 N 1.00 0.08 0.00 5.54 -0.00 -1.96 -0.50 114.38 118.55 2jxt h ARG 51 Ca -0.50 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.98 59.39 2jxt h ARG 51 Cb 1.26 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 31.20 2jxt h ARG 51 CO 0.56 0.06 -0.43 1.03 -0.00 0.00 0.00 179.97 181.18 2jxt h SER 52 N 0.09 0.00 0.58 0.08 0.87 -2.00 -3.01 113.55 110.15 2jxt h SER 52 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2jxt h SER 52 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2jxt h SER 52 CO -0.02 0.43 -0.05 0.29 -0.53 0.00 0.00 176.83 176.95 2jxt n LYS 53 N -3.63 0.41 -3.18 2.24 4.76 -0.20 -4.81 118.16 113.75 2jxt n LYS 53 Ca -0.01 -0.06 -0.39 0.00 -2.87 0.00 0.00 58.31 54.99 2jxt n LYS 53 Cb 0.53 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 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 -2.63 5.11 -0.26 -0.18 1.01 -1.14 -0.60 120.40 121.71 2jxt s VAL 54 Ca 0.26 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.43 2jxt s VAL 54 Cb 0.20 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.72 2jxt s VAL 54 CO 0.49 0.26 -0.08 -0.75 0.00 0.00 0.00 175.10 175.01 2jxt s LYS 55 N 0.94 1.97 -0.09 2.72 2.47 -0.43 -5.00 119.74 122.32 2jxt s LYS 55 Ca 0.30 -1.25 -0.18 0.00 -1.56 0.00 0.00 55.97 53.29 2jxt s LYS 55 Cb -0.16 -2.79 -0.04 0.00 -1.46 0.00 0.00 37.83 33.37 2jxt s LYS 55 CO 0.13 -0.60 0.48 0.42 0.16 0.00 0.00 175.35 175.94 2jxt s ILE 56 N 1.20 5.14 -0.15 5.43 1.01 -1.26 -0.37 121.20 132.20 2jxt s ILE 56 Ca -0.07 0.97 -0.14 0.00 0.00 0.00 0.00 60.65 61.41 2jxt s ILE 56 Cb -0.20 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 2jxt s ILE 56 CO -0.06 0.37 -0.27 -0.62 0.00 0.00 0.00 174.94 174.36 2jxt n GLU 57 N 3.35 0.44 -3.81 2.79 1.02 -0.10 -4.97 120.64 119.35 2jxt n GLU 57 Ca -0.08 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 2jxt n GLU 57 Cb 0.52 -1.37 -0.14 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.52 0.05 -0.40 3.49 2.56 -0.59 -5.02 118.70 116.27 2jxt s GLU 58 Ca -0.22 0.16 -0.06 0.00 0.00 0.00 0.00 54.97 54.84 2jxt s GLU 58 Cb 0.03 -0.07 0.09 0.00 2.00 0.00 0.00 34.13 36.18 2jxt s GLU 58 CO 0.33 -0.07 0.21 0.42 -0.56 0.00 0.00 175.26 175.59 2jxt s ILE 59 N 0.46 3.75 0.21 -3.70 1.01 -1.26 -0.24 121.20 121.43 2jxt s ILE 59 Ca -0.04 -1.63 -0.19 0.00 0.00 0.00 0.00 60.65 58.80 2jxt s ILE 59 Cb -0.05 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 2jxt s ILE 59 CO -0.02 -0.53 0.70 -0.70 0.00 0.00 0.00 174.94 174.40 2jxt s GLU 60 N 1.31 4.21 -0.26 2.79 2.56 -0.95 -4.93 118.70 123.42 2jxt s GLU 60 Ca 0.04 0.81 -0.09 0.00 0.00 0.00 0.00 54.97 55.73 2jxt s GLU 60 Cb -0.23 -2.89 -0.04 0.00 2.00 0.00 0.00 34.13 32.97 2jxt s GLU 60 CO -0.01 0.41 0.13 -2.00 -0.56 0.00 0.00 175.26 173.23 2jxt s GLU 61 N -1.95 3.80 0.21 4.30 2.12 -1.26 0.17 118.70 126.08 2jxt s GLU 61 Ca 0.42 -0.40 0.09 0.00 0.36 0.00 0.00 54.97 55.44 2jxt s GLU 61 Cb -0.16 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 2jxt s GLU 61 CO 0.21 -0.17 -0.16 0.96 -0.54 0.00 0.00 175.26 175.55 2jxt s ILE 62 N 1.66 1.88 0.41 -3.70 -4.36 0.02 -4.93 121.20 112.17 2jxt s ILE 62 Ca 0.07 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 2jxt s ILE 62 Cb -0.15 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 2jxt s ILE 62 CO 0.07 -0.49 0.61 -0.44 0.24 0.00 0.00 174.94 174.93 2jxt s SER 63 N -3.18 5.97 0.29 4.36 0.01 -1.26 -3.35 113.70 116.54 2jxt s SER 63 Ca 0.22 0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.77 2jxt s SER 63 Cb -0.03 -1.62 0.69 0.00 0.21 0.00 0.00 66.02 65.28 2jxt s SER 63 CO 0.08 -0.56 1.75 1.55 0.41 0.00 0.00 173.24 176.47 2jxt h PRO 64 N 0.56 0.60 -0.03 12.44 0.13 -1.96 0.82 132.00 144.56 2jxt h PRO 64 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jxt h PRO 64 Cb 1.24 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jxt h PRO 64 CO 0.58 0.40 0.00 -0.85 -0.23 0.00 0.00 178.00 177.90 2jxt n GLU 65 N -4.87 1.36 0.01 0.86 0.00 -1.26 -2.82 120.64 113.91 2jxt n GLU 65 Ca 0.22 -0.52 0.11 0.00 0.00 0.00 0.00 57.16 56.96 2jxt n GLU 65 Cb 0.57 -1.44 -0.03 0.00 0.00 0.00 0.00 31.44 30.54 2jxt n GLU 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jxt n GLU 66 N -0.33 0.19 -2.38 3.44 1.02 0.27 -4.95 120.64 117.90 2jxt n GLU 66 Ca 0.19 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 2jxt n GLU 66 Cb 0.22 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 2jxt n GLU 66 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jxt s VAL 67 N -3.14 3.89 -0.04 2.62 1.01 -1.12 -4.93 120.40 118.69 2jxt s VAL 67 Ca 0.05 1.37 0.13 0.00 0.00 0.00 0.00 61.98 63.52 2jxt s VAL 67 Cb 0.15 -3.88 -0.21 0.00 0.00 0.00 0.00 36.38 32.44 2jxt s VAL 67 CO 0.83 0.11 0.76 1.56 0.00 0.00 0.00 175.10 178.36 2jxt h GLN 68 N 6.71 0.00 -6.26 2.72 1.08 -1.92 -3.46 115.11 113.98 2jxt h GLN 68 Ca -0.42 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.23 2jxt h GLN 68 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2jxt h GLN 68 CO 0.82 0.52 1.13 0.34 -0.95 0.00 0.00 178.83 180.69 2jxt s ASP 69 N -6.12 6.50 0.30 1.46 -1.08 -1.26 -4.91 116.67 111.56 2jxt s ASP 69 Ca -0.04 2.06 0.05 0.00 -0.52 0.00 0.00 52.55 54.10 2jxt s ASP 69 Cb 0.08 -2.53 0.50 0.00 -1.46 0.00 0.00 42.92 39.51 2jxt s ASP 69 CO 0.82 -1.09 1.76 1.55 0.52 0.00 0.00 175.17 178.74 2jxt h PRO 70 N 10.25 0.39 0.05 4.34 0.13 -1.99 -1.91 132.00 143.27 2jxt h PRO 70 Ca -0.38 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2jxt h PRO 70 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jxt h PRO 70 CO 0.97 0.62 -0.02 0.28 -0.23 0.00 0.00 178.00 179.61 2jxt h VAL 71 N 0.35 1.21 -0.29 1.56 2.07 -1.98 -0.39 116.25 118.77 2jxt h VAL 71 Ca 0.05 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 2jxt h VAL 71 Cb 0.62 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2jxt h VAL 71 CO 0.04 0.22 -0.15 0.58 0.02 0.00 0.00 177.57 178.29 2jxt h VAL 72 N -0.47 1.29 -0.27 2.57 2.07 -1.88 -0.60 116.25 118.98 2jxt h VAL 72 Ca -0.01 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.32 2jxt h VAL 72 Cb 0.42 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2jxt h VAL 72 CO 0.01 0.40 -0.05 0.50 0.02 0.00 0.00 177.57 178.45 2jxt h LYS 73 N 0.37 0.02 -0.17 1.57 3.64 -1.37 -2.03 116.57 118.59 2jxt h LYS 73 Ca 0.07 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2jxt h LYS 73 Cb 0.67 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jxt h LYS 73 CO 0.04 0.01 -0.24 0.00 -2.27 0.00 0.00 179.45 177.00 2jxt h ALA 74 N 1.26 1.29 -0.67 5.00 0.00 -1.03 -0.95 119.26 124.16 2jxt h ALA 74 Ca 0.13 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jxt h ALA 74 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2jxt h ALA 74 CO -0.26 0.48 0.44 1.25 0.00 0.00 0.00 179.25 181.16 2jxt h LEU 75 N 0.27 0.74 0.08 0.00 6.46 -0.39 -2.09 115.31 120.39 2jxt h LEU 75 Ca 0.04 -0.02 -0.26 0.00 -0.12 0.00 0.00 57.88 57.53 2jxt h LEU 75 Cb 0.57 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 2jxt h LEU 75 CO 0.04 0.53 -1.34 0.58 -0.62 0.00 0.00 178.44 177.63 2jxt h VAL 76 N 0.87 1.02 -0.14 1.05 2.07 -1.24 -3.37 116.25 116.52 2jxt h VAL 76 Ca 0.25 -2.34 0.04 0.00 0.82 0.00 0.00 66.70 65.47 2jxt h VAL 76 Cb -0.05 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2jxt h VAL 76 CO -0.06 0.63 0.16 1.56 0.02 0.00 0.00 177.57 179.88 2jxt h GLN 77 N -0.46 0.00 -0.29 1.57 4.20 -1.07 -0.87 115.11 118.18 2jxt h GLN 77 Ca -0.30 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 2jxt h GLN 77 Cb 1.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.40 2jxt h GLN 77 CO 0.00 0.00 -0.12 0.07 -0.67 0.00 0.00 178.83 178.11 2jxt h ARG 78 N 0.00 0.49 0.00 1.46 0.11 -1.54 -2.93 114.38 111.98 2jxt h ARG 78 Ca 0.07 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2jxt h ARG 78 Cb 0.39 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2jxt h ARG 78 CO -0.00 0.61 -1.00 1.47 0.10 0.00 0.00 179.97 181.16 2jxt n LEU 79 N -4.21 0.62 -4.56 0.08 -0.00 -0.40 -4.79 117.00 103.75 2jxt n LEU 79 Ca 0.01 0.05 -0.26 0.00 -0.00 0.00 0.00 56.01 55.81 2jxt n LEU 79 Cb 0.32 -0.10 -0.05 0.00 -0.00 0.00 0.00 43.42 43.58 2jxt n LEU 79 CO 0.40 0.00 1.35 -1.61 -0.00 0.00 0.00 177.39 177.54 2jxt s GLU 80 N -3.22 2.41 0.67 1.47 0.41 -0.82 -4.96 118.70 114.67 2jxt s GLU 80 Ca 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 54.97 54.50 2jxt s GLU 80 Cb 0.14 -4.97 0.10 0.00 -1.78 0.00 0.00 34.13 27.62 2jxt s GLU 80 CO 0.79 -3.49 0.94 -1.58 -0.49 0.00 0.00 175.26 171.43 2jxt s HIS 81 N 10.73 1.99 -0.62 1.61 5.65 -1.26 -4.63 115.29 128.76 2jxt s HIS 81 Ca 0.73 -0.17 -0.04 0.00 0.25 0.00 0.00 55.06 55.84 2jxt s HIS 81 Cb -0.08 -2.94 0.00 0.00 -1.18 0.00 0.00 32.58 28.39 2jxt s HIS 81 CO 0.02 -1.47 0.50 0.72 -0.65 0.00 0.00 174.74 173.87 2jxt n HIS 82 N -2.71 -1.25 -0.26 3.88 8.25 -1.26 -4.96 115.22 116.90 2jxt n HIS 82 Ca 0.13 0.43 -0.06 0.00 -0.26 0.00 0.00 57.72 57.96 2jxt n HIS 82 Cb 0.60 -2.78 0.05 0.00 1.12 0.00 0.00 29.99 28.99 2jxt n HIS 82 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jxt h HIS 83 N -1.15 1.04 -2.68 4.41 -0.00 -2.02 -3.43 115.15 111.32 2jxt h HIS 83 Ca -0.25 -0.05 -0.17 0.00 -0.00 0.00 0.00 60.37 59.89 2jxt h HIS 83 Cb 1.16 -0.32 -0.31 0.00 -0.00 0.00 0.00 27.41 27.94 2jxt h HIS 83 CO 0.22 0.77 -0.48 -1.58 -0.00 0.00 0.00 177.93 176.86 2jxt s HIS 84 N -5.72 -0.57 -0.57 2.45 2.46 -1.26 -5.11 115.29 106.97 2jxt s HIS 84 Ca -0.13 1.13 -0.18 0.00 0.47 0.00 0.00 55.06 56.35 2jxt s HIS 84 Cb 0.15 0.07 0.10 0.00 -0.13 0.00 0.00 32.58 32.77 2jxt s HIS 84 CO 0.81 -0.43 0.66 -1.58 -2.47 0.00 0.00 174.74 171.73 2jxt s HIS 85 N 2.49 3.04 0.00 3.88 5.04 -1.26 -5.28 115.29 123.20 2jxt s HIS 85 Ca 0.01 -0.95 0.00 0.00 -1.54 0.00 0.00 55.06 52.58 2jxt s HIS 85 Cb -0.12 -3.90 0.00 0.00 0.04 0.00 0.00 32.58 28.59 2jxt s HIS 85 CO -0.10 -1.22 0.00 0.72 -2.34 0.00 0.00 174.74 171.80