#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 4.34 -0.02 0.03 3.01 -1.26 -4.95 119.74 120.90 2jxt s LYS 2 Ca 0.00 2.05 -0.30 0.00 -1.01 0.00 0.00 55.97 56.71 2jxt s LYS 2 Cb 0.00 -3.24 -0.05 0.00 -1.01 0.00 0.00 37.83 33.52 2jxt s LYS 2 CO 0.00 -0.39 1.46 1.41 0.51 0.00 0.00 175.35 178.34 2jxt s MET 3 N 0.84 4.25 -0.03 1.68 1.75 -1.26 -5.01 119.30 121.52 2jxt s MET 3 Ca 0.63 2.01 -0.02 0.00 -1.25 0.00 0.00 55.69 57.06 2jxt s MET 3 Cb -0.36 -3.66 0.02 0.00 2.84 0.00 0.00 34.83 33.67 2jxt s MET 3 CO 0.32 -0.65 0.07 0.21 -0.65 0.00 0.00 175.02 174.32 2jxt s LYS 4 N 2.78 0.05 -0.05 4.11 2.20 -1.26 -5.01 119.74 122.56 2jxt s LYS 4 Ca 0.66 0.16 -0.25 0.00 -0.36 0.00 0.00 55.97 56.17 2jxt s LYS 4 Cb -0.32 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.91 2jxt s LYS 4 CO 0.26 -0.07 0.77 -0.08 -0.36 0.00 0.00 175.35 175.88 2jxt s THR 5 N 0.44 5.00 0.20 3.43 -1.32 -1.26 -4.96 115.64 117.17 2jxt s THR 5 Ca -0.03 1.60 -0.24 0.00 -1.21 0.00 0.00 61.69 61.81 2jxt s THR 5 Cb -0.05 -4.11 -0.08 0.00 -1.51 0.00 0.00 72.50 66.75 2jxt s THR 5 CO -0.02 0.23 0.79 -0.54 -2.21 0.00 0.00 174.62 172.88 2jxt s LYS 6 N 0.84 4.50 -0.40 7.08 1.02 0.14 -4.76 119.74 128.17 2jxt s LYS 6 Ca 0.41 1.12 -0.18 0.00 0.02 0.00 0.00 55.97 57.34 2jxt s LYS 6 Cb -0.19 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.03 2jxt s LYS 6 CO 0.21 0.49 0.50 0.42 -0.92 0.00 0.00 175.35 176.04 2jxt s ILE 7 N -1.31 5.01 -0.23 2.17 1.09 -1.12 -0.42 121.20 126.40 2jxt s ILE 7 Ca 0.40 -0.00 -0.12 0.00 -1.10 0.00 0.00 60.65 59.83 2jxt s ILE 7 Cb -0.21 -4.03 -0.05 0.00 -1.06 0.00 0.00 42.46 37.11 2jxt s ILE 7 CO 0.25 -0.37 0.20 -0.36 -0.10 0.00 0.00 174.94 174.56 2jxt s PHE 8 N 2.36 3.33 -0.51 3.97 0.08 0.79 -0.84 117.98 127.17 2jxt s PHE 8 Ca 0.16 0.30 -0.23 0.00 0.12 0.00 0.00 56.93 57.29 2jxt s PHE 8 Cb -0.16 -2.31 0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2jxt s PHE 8 CO 0.15 0.06 0.82 0.50 -0.10 0.00 0.00 175.22 176.64 2jxt s ARG 9 N 1.08 3.31 -0.39 0.44 3.52 0.32 -1.81 118.95 125.42 2jxt s ARG 9 Ca 0.10 -0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.25 2jxt s ARG 9 Cb -0.14 -4.02 0.04 0.00 -1.56 0.00 0.00 34.95 29.28 2jxt s ARG 9 CO 0.05 -1.30 0.23 0.08 -0.81 0.00 0.00 175.30 173.55 2jxt s VAL 10 N 3.44 4.50 -0.25 7.11 1.01 0.41 -0.78 120.40 135.84 2jxt s VAL 10 Ca 0.27 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2jxt s VAL 10 Cb -0.14 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2jxt s VAL 10 CO 0.19 -0.32 0.53 -0.75 0.00 0.00 0.00 175.10 174.74 2jxt s LYS 11 N 1.52 4.09 0.00 2.72 2.47 0.11 -0.47 119.74 130.19 2jxt s LYS 11 Ca 0.02 0.36 0.00 0.00 -1.56 0.00 0.00 55.97 54.79 2jxt s LYS 11 Cb -0.20 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.53 2jxt s LYS 11 CO 0.05 -0.32 0.00 0.41 0.16 0.00 0.00 175.35 175.65 2jxt n GLY 12 N 4.28 3.40 2.92 5.54 0.00 -0.44 -0.62 105.19 120.27 2jxt n GLY 12 Ca -0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 0.12 -0.10 1.61 1.02 0.18 -0.48 119.74 122.99 2jxt s LYS 13 Ca 0.00 -0.18 0.04 0.00 0.02 0.00 0.00 55.97 55.85 2jxt s LYS 13 Cb 0.00 0.05 -0.00 0.00 -0.52 0.00 0.00 37.83 37.35 2jxt s LYS 13 CO 0.00 -0.02 -0.23 -0.59 -0.92 0.00 0.00 175.35 173.59 2jxt s PHE 14 N -0.47 2.57 -0.68 3.18 -0.71 -0.13 -1.21 117.98 120.53 2jxt s PHE 14 Ca -0.05 -1.00 -0.26 0.00 -1.04 0.00 0.00 56.93 54.58 2jxt s PHE 14 Cb -0.03 -1.71 -0.01 0.00 -1.21 0.00 0.00 43.02 40.06 2jxt s PHE 14 CO -0.00 -0.39 1.72 -1.17 -1.34 0.00 0.00 175.22 174.03 2jxt s LEU 15 N 0.31 3.25 -0.06 -1.99 1.98 0.26 -2.11 118.68 120.32 2jxt s LEU 15 Ca -0.17 -0.01 0.03 0.00 -2.89 0.00 0.00 54.13 51.09 2jxt s LEU 15 Cb -0.18 -2.54 0.00 0.00 0.66 0.00 0.00 46.19 44.14 2jxt s LEU 15 CO 0.08 -2.26 -0.17 -0.32 -1.89 0.00 0.00 176.35 171.80 2jxt s MET 16 N 6.66 2.03 -1.43 1.98 1.75 0.74 -4.73 119.30 126.30 2jxt s MET 16 Ca 0.59 -0.59 -0.04 0.00 -1.25 0.00 0.00 55.69 54.39 2jxt s MET 16 Cb -0.11 -1.66 0.00 0.00 2.84 0.00 0.00 34.83 35.91 2jxt s MET 16 CO 0.16 0.14 0.59 0.41 -0.65 0.00 0.00 175.02 175.67 2jxt n GLY 17 N 3.49 -0.43 2.60 2.11 0.00 -1.26 -1.58 105.19 110.13 2jxt n GLY 17 Ca -0.20 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.20 -5.50 -4.18 1.61 8.00 -1.26 -4.98 116.55 108.04 2jxt n ASP 18 Ca -0.10 0.51 -0.21 0.00 0.71 0.00 0.00 54.79 55.70 2jxt n ASP 18 Cb 0.61 -4.82 -0.13 0.00 -0.02 0.00 0.00 41.12 36.76 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 -3.76 1.01 -0.63 -1.24 1.02 -0.61 -5.11 119.74 110.42 2jxt s LYS 19 Ca 0.00 -0.86 -0.21 0.00 0.02 0.00 0.00 55.97 54.93 2jxt s LYS 19 Cb 0.00 -1.06 0.09 0.00 -0.52 0.00 0.00 37.83 36.34 2jxt s LYS 19 CO 0.00 0.26 0.83 -0.51 -0.92 0.00 0.00 175.35 175.01 2jxt s LEU 20 N -1.31 4.93 -0.02 3.17 1.43 -1.26 -0.18 118.68 125.43 2jxt s LEU 20 Ca 0.02 -1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 51.69 2jxt s LEU 20 Cb -0.09 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 2jxt s LEU 20 CO 0.02 -1.27 0.55 -1.10 0.23 0.00 0.00 176.35 174.78 2jxt s GLN 21 N 3.32 4.27 0.23 1.70 1.11 -0.90 -4.82 119.66 124.58 2jxt s GLN 21 Ca 0.17 0.65 -0.30 0.00 0.01 0.00 0.00 55.36 55.89 2jxt s GLN 21 Cb -0.21 -3.34 -0.09 0.00 -1.01 0.00 0.00 33.01 28.37 2jxt s GLN 21 CO 0.08 0.38 1.00 -1.25 0.01 0.00 0.00 175.29 175.51 2jxt s PRO 22 N -0.20 4.76 0.11 2.91 0.04 -1.26 -0.95 135.00 140.41 2jxt s PRO 22 Ca 0.29 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.97 2jxt s PRO 22 Cb -0.18 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2jxt s PRO 22 CO 0.16 0.37 -0.12 -0.59 0.04 0.00 0.00 177.00 176.86 2jxt s PHE 23 N -0.99 1.22 -0.39 0.56 -0.71 0.37 -4.94 117.98 113.09 2jxt s PHE 23 Ca 0.43 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 55.73 2jxt s PHE 23 Cb -0.28 -0.65 0.12 0.00 -1.21 0.00 0.00 43.02 41.00 2jxt s PHE 23 CO 0.35 0.07 0.17 0.99 -1.34 0.00 0.00 175.22 175.45 2jxt s THR 24 N -2.30 1.55 -0.28 -4.49 2.01 -1.26 -1.33 115.64 109.54 2jxt s THR 24 Ca 0.07 -2.28 -0.09 0.00 0.31 0.00 0.00 61.69 59.70 2jxt s THR 24 Cb -0.04 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2jxt s THR 24 CO 0.01 -0.77 0.12 -0.54 -0.69 0.00 0.00 174.62 172.76 2jxt s LYS 25 N 0.73 3.53 -0.18 4.92 -0.14 0.38 -4.88 119.74 124.11 2jxt s LYS 25 Ca 0.14 -0.58 -0.19 0.00 -1.36 0.00 0.00 55.97 53.98 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 -0.08 -0.30 0.54 -1.21 -0.76 0.00 0.00 175.35 173.54 2jxt s GLU 26 N 1.63 4.24 0.05 1.68 2.02 -1.26 -0.45 118.70 126.61 2jxt s GLU 26 Ca 0.06 0.49 -0.04 0.00 0.02 0.00 0.00 54.97 55.49 2jxt s GLU 26 Cb -0.16 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 2jxt s GLU 26 CO 0.06 -0.09 0.06 -0.48 0.02 0.00 0.00 175.26 174.83 2jxt s LEU 27 N 1.44 1.99 0.22 1.80 2.34 -0.75 -4.91 118.68 120.81 2jxt s LEU 27 Ca 0.26 -0.72 -0.14 0.00 0.06 0.00 0.00 54.13 53.59 2jxt s LEU 27 Cb -0.16 0.53 -0.08 0.00 -0.56 0.00 0.00 46.19 45.93 2jxt s LEU 27 CO 0.10 -0.58 0.61 0.54 -1.06 0.00 0.00 176.35 175.97 2jxt s ASN 28 N -2.54 6.78 0.19 1.48 4.22 -1.26 -0.15 114.94 123.67 2jxt s ASN 28 Ca 0.01 1.12 -0.22 0.00 -2.14 0.00 0.00 52.86 51.63 2jxt s ASN 28 Cb 0.03 -2.30 0.07 0.00 1.28 0.00 0.00 41.25 40.33 2jxt s ASN 28 CO -0.08 -0.03 1.02 0.00 -2.04 0.00 0.00 177.10 175.97 2jxt s ALA 29 N -1.70 -1.56 -0.14 3.54 0.00 0.44 -4.93 121.76 117.41 2jxt s ALA 29 Ca 0.45 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.21 2jxt s ALA 29 Cb -0.13 0.73 -0.23 0.00 0.00 0.00 0.00 23.12 23.49 2jxt s ALA 29 CO 0.20 -1.06 0.26 -0.89 0.00 0.00 0.00 175.76 174.27 2jxt n ILE 30 N -0.65 1.56 -3.89 0.00 -0.00 -1.26 -0.69 119.36 114.43 2jxt n ILE 30 Ca -0.04 -0.75 -0.08 0.00 -0.00 0.00 0.00 62.75 61.89 2jxt n ILE 30 Cb 0.60 -1.08 -0.02 0.00 -0.00 0.00 0.00 39.64 39.14 2jxt n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jxt s ARG 31 N -2.54 1.82 0.38 0.38 1.70 -1.26 -4.86 118.95 114.56 2jxt s ARG 31 Ca -0.15 -1.15 0.05 0.00 -0.47 0.00 0.00 55.73 54.01 2jxt s ARG 31 Cb 0.07 0.58 0.75 0.00 -0.57 0.00 0.00 34.95 35.78 2jxt s ARG 31 CO 0.77 -0.82 2.02 0.93 -1.08 0.00 0.00 175.30 177.12 2jxt h GLU 32 N 2.06 0.69 0.00 3.89 3.07 -2.01 -1.04 114.58 121.24 2jxt h GLU 32 Ca -0.23 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 2jxt h GLU 32 Cb 1.25 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2jxt h GLU 32 CO 0.29 0.46 -0.07 0.93 -1.40 0.00 0.00 179.01 179.22 2jxt h GLU 33 N 0.71 0.00 0.06 2.33 5.08 -2.03 -1.96 114.58 118.77 2jxt h GLU 33 Ca 0.22 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.33 2jxt h GLU 33 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2jxt h GLU 33 CO -0.05 0.07 -1.07 0.93 -1.00 0.00 0.00 179.01 177.88 2jxt h GLU 34 N 0.00 0.37 -0.50 2.33 4.39 -1.60 -3.34 114.58 116.23 2jxt h GLU 34 Ca -0.00 -0.48 0.10 0.00 0.34 0.00 0.00 59.36 59.32 2jxt h GLU 34 Cb 0.16 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 28.87 2jxt h GLU 34 CO 0.01 1.16 -0.07 0.82 -1.16 0.00 0.00 179.01 179.77 2jxt h ILE 35 N 0.17 0.54 -0.01 3.13 2.04 -1.20 -2.01 117.51 120.17 2jxt h ILE 35 Ca -0.11 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jxt h ILE 35 Cb 1.74 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2jxt h ILE 35 CO 0.18 0.01 -0.07 1.88 0.00 0.00 0.00 178.15 180.15 2jxt h TYR 36 N 0.04 -0.22 -0.57 1.37 0.05 -1.67 0.11 116.97 116.10 2jxt h TYR 36 Ca 0.25 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 2jxt h TYR 36 Cb 0.38 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.19 2jxt h TYR 36 CO -0.38 -0.07 0.29 0.93 -1.05 0.00 0.00 178.16 177.87 2jxt h GLU 37 N -0.08 0.79 -0.46 4.88 4.39 -1.73 -0.63 114.58 121.74 2jxt h GLU 37 Ca 0.00 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2jxt h GLU 37 Cb 0.09 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2jxt h GLU 37 CO -0.06 0.60 0.07 0.00 -1.16 0.00 0.00 179.01 178.46 2jxt h ARG 38 N 0.79 0.76 -0.15 2.33 3.08 -1.10 0.13 114.38 120.21 2jxt h ARG 38 Ca 0.20 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2jxt h ARG 38 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2jxt h ARG 38 CO -0.03 0.78 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.56 2jxt h LEU 39 N 0.63 0.29 -1.49 3.04 3.38 -0.64 -1.99 115.31 118.52 2jxt h LEU 39 Ca 0.14 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2jxt h LEU 39 Cb 0.39 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2jxt h LEU 39 CO 0.01 0.57 0.44 1.88 0.09 0.00 0.00 178.44 181.43 2jxt h TYR 40 N 0.00 0.62 -0.47 1.13 0.05 -1.01 0.12 116.97 117.42 2jxt h TYR 40 Ca 0.04 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 2jxt h TYR 40 Cb 0.43 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2jxt h TYR 40 CO 0.05 0.32 -0.02 1.03 -1.05 0.00 0.00 178.16 178.48 2jxt h SER 41 N 0.60 0.83 0.60 3.88 0.87 -0.63 -2.07 113.55 117.63 2jxt h SER 41 Ca 0.30 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2jxt h SER 41 Cb 0.38 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2jxt h SER 41 CO -0.10 0.95 -0.29 -0.08 -0.53 0.00 0.00 176.83 176.79 2jxt h GLU 42 N 0.70 -0.78 -1.00 2.24 4.81 -0.31 -2.46 114.58 117.78 2jxt h GLU 42 Ca 0.13 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.57 2jxt h GLU 42 Cb 0.54 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 30.00 2jxt h GLU 42 CO 0.03 -0.48 0.62 0.74 -0.73 0.00 0.00 179.01 179.19 2jxt h PHE 43 N -1.14 1.08 0.00 0.92 0.04 -0.95 0.18 116.94 117.07 2jxt h PHE 43 Ca -0.08 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 2jxt h PHE 43 Cb 0.66 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2jxt h PHE 43 CO 0.00 0.34 -0.23 0.78 -0.60 0.00 0.00 178.31 178.60 2jxt h GLY 44 N 0.86 0.00 0.12 -1.45 0.00 -1.38 0.63 103.07 101.84 2jxt h GLY 44 Ca 0.53 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.69 2jxt h GLY 44 CO -0.31 0.00 -0.92 1.76 0.00 0.00 0.00 176.54 177.07 2jxt h SER 45 N 0.00 0.08 -0.02 0.19 0.02 -0.25 -2.94 113.55 110.63 2jxt h SER 45 Ca -0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 2jxt h SER 45 Cb 0.43 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2jxt h SER 45 CO 0.03 1.37 -0.25 2.29 -1.14 0.00 0.00 176.83 179.13 2jxt n LYS 46 N -4.37 1.72 0.00 3.45 2.85 -0.05 -4.49 118.16 117.26 2jxt n LYS 46 Ca -0.24 -1.42 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 2jxt n LYS 46 Cb 0.67 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 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 0.60 0.00 -2.39 5.58 8.25 -0.00 -5.03 115.22 122.23 2jxt n HIS 47 Ca 0.11 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.39 2jxt n HIS 47 Cb 0.52 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.27 -1.67 -3.05 -0.41 1.74 0.20 -4.94 116.66 108.26 2jxt n ARG 48 Ca 0.00 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 2jxt n ARG 48 Cb 0.00 -5.34 -0.06 0.00 -1.02 0.00 0.00 32.46 26.04 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 -2.90 4.90 0.47 1.55 1.01 -1.02 -4.88 120.40 119.53 2jxt s VAL 49 Ca 0.02 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.83 2jxt s VAL 49 Cb -0.01 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 2jxt s VAL 49 CO 0.03 -0.13 1.38 -2.16 0.00 0.00 0.00 175.10 174.22 2jxt s PRO 50 N 2.71 3.55 0.35 2.72 0.04 -1.26 -3.78 135.00 139.33 2jxt s PRO 50 Ca 0.28 2.31 0.26 0.00 0.04 0.00 0.00 61.00 63.89 2jxt s PRO 50 Cb -0.15 -2.54 1.20 0.00 0.04 0.00 0.00 34.50 33.06 2jxt s PRO 50 CO 0.11 -0.89 1.78 0.07 0.04 0.00 0.00 177.00 178.11 2jxt h ARG 51 N 2.09 0.00 0.00 4.56 0.11 -1.94 0.69 114.38 119.90 2jxt h ARG 51 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2jxt h ARG 51 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2jxt h ARG 51 CO 0.60 0.00 0.00 1.03 0.10 0.00 0.00 179.97 181.70 2jxt h SER 52 N 0.00 0.00 -0.01 0.08 0.87 -2.01 -3.19 113.55 109.29 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 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jxt h SER 52 CO 0.00 0.00 -0.44 0.29 -0.53 0.00 0.00 176.83 176.15 2jxt n LYS 53 N -2.69 1.78 -3.86 2.24 4.76 0.23 -4.95 118.16 115.66 2jxt n LYS 53 Ca 0.02 -0.58 -0.36 0.00 -2.87 0.00 0.00 58.31 54.51 2jxt n LYS 53 Cb 0.29 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.03 5.45 -0.04 -0.18 1.01 -1.19 -0.57 120.40 122.85 2jxt s VAL 54 Ca 0.11 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 2jxt s VAL 54 Cb 0.12 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 33.13 2jxt s VAL 54 CO 0.46 0.58 0.09 -0.75 0.00 0.00 0.00 175.10 175.47 2jxt s LYS 55 N -0.70 0.06 0.12 2.72 2.47 -0.35 -4.98 119.74 119.08 2jxt s LYS 55 Ca 0.13 0.21 -0.08 0.00 -1.56 0.00 0.00 55.97 54.67 2jxt s LYS 55 Cb -0.12 -0.09 -0.06 0.00 -1.46 0.00 0.00 37.83 36.10 2jxt s LYS 55 CO 0.03 -0.09 0.41 0.42 0.16 0.00 0.00 175.35 176.27 2jxt s ILE 56 N 0.63 5.11 -0.08 5.43 1.01 -1.26 -0.65 121.20 131.38 2jxt s ILE 56 Ca -0.05 0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 2jxt s ILE 56 Cb -0.07 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2jxt s ILE 56 CO -0.02 0.17 -0.12 -0.62 0.00 0.00 0.00 174.94 174.34 2jxt n GLU 57 N 0.52 0.20 -3.78 2.79 1.02 -0.05 -4.90 120.64 116.44 2jxt n GLU 57 Ca -0.05 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 2jxt n GLU 57 Cb 0.52 -0.84 -0.12 0.00 -0.02 0.00 0.00 31.44 30.98 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 -2.21 0.24 -0.05 3.49 2.12 0.21 -5.02 118.70 117.48 2jxt s GLU 58 Ca -0.13 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.59 2jxt s GLU 58 Cb 0.04 0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.50 2jxt s GLU 58 CO 0.17 -0.07 -0.07 0.42 -0.54 0.00 0.00 175.26 175.16 2jxt s ILE 59 N 0.47 0.73 0.26 -3.70 1.01 -1.26 0.08 121.20 118.80 2jxt s ILE 59 Ca -0.03 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.45 2jxt s ILE 59 Cb -0.04 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2jxt s ILE 59 CO -0.02 0.26 0.17 -1.61 0.00 0.00 0.00 174.94 173.74 2jxt s GLU 60 N 0.78 2.78 -0.17 2.79 8.01 0.04 -4.94 118.70 127.99 2jxt s GLU 60 Ca -0.12 -1.15 0.01 0.00 0.01 0.00 0.00 54.97 53.71 2jxt s GLU 60 Cb -0.15 -2.48 0.03 0.00 -4.31 0.00 0.00 34.13 27.23 2jxt s GLU 60 CO 0.01 0.36 -0.12 -2.00 0.01 0.00 0.00 175.26 173.53 2jxt s GLU 61 N -3.82 2.17 0.32 1.61 -6.30 -1.26 -0.52 118.70 110.89 2jxt s GLU 61 Ca 0.33 -0.69 0.04 0.00 -2.50 0.00 0.00 54.97 52.15 2jxt s GLU 61 Cb -0.07 -2.25 -0.06 0.00 0.00 0.00 0.00 34.13 31.74 2jxt s GLU 61 CO 0.24 -0.33 0.06 0.96 0.02 0.00 0.00 175.26 176.21 2jxt s ILE 62 N 1.45 1.17 0.45 -3.70 -4.36 -0.02 -5.01 121.20 111.19 2jxt s ILE 62 Ca 0.02 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.35 2jxt s ILE 62 Cb -0.14 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2jxt s ILE 62 CO -0.10 -0.00 0.76 -0.44 0.24 0.00 0.00 174.94 175.40 2jxt s SER 63 N -3.48 6.32 0.00 4.36 0.01 -1.26 -2.77 113.70 116.87 2jxt s SER 63 Ca 0.37 0.93 0.03 0.00 1.31 0.00 0.00 55.95 58.59 2jxt s SER 63 Cb 0.09 -2.24 0.20 0.00 0.21 0.00 0.00 66.02 64.27 2jxt s SER 63 CO 0.15 -0.51 0.53 -0.81 0.41 0.00 0.00 173.24 173.01 2jxt n PRO 64 N -2.00 0.21 -0.00 12.44 -0.04 -1.26 -1.47 135.00 142.87 2jxt n PRO 64 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2jxt n PRO 64 Cb 0.55 -1.25 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.75 0.34 -0.44 0.54 0.28 -1.26 -4.33 120.64 115.03 2jxt n GLU 65 Ca 0.02 -0.10 0.08 0.00 -0.16 0.00 0.00 57.16 57.00 2jxt n GLU 65 Cb 0.01 -1.51 0.27 0.00 1.43 0.00 0.00 31.44 31.64 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 -1.90 3.26 -2.83 3.44 -0.58 -0.54 -4.99 120.64 116.50 2jxt n GLU 66 Ca -0.00 -2.63 -0.41 0.00 -0.42 0.00 0.00 57.16 53.70 2jxt n GLU 66 Cb 0.45 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.90 4.91 -0.11 2.62 1.01 -1.25 -4.95 120.40 120.73 2jxt s VAL 67 Ca 0.40 1.81 0.14 0.00 0.00 0.00 0.00 61.98 64.33 2jxt s VAL 67 Cb 0.27 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2jxt s VAL 67 CO 0.17 0.14 1.36 1.56 0.00 0.00 0.00 175.10 178.33 2jxt h GLN 68 N 6.92 0.00 -5.74 2.72 4.20 -1.97 -3.44 115.11 117.81 2jxt h GLN 68 Ca -0.38 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.74 2jxt h GLN 68 Cb 1.19 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.87 2jxt h GLN 68 CO 0.78 0.57 0.41 0.34 -0.67 0.00 0.00 178.83 180.26 2jxt s ASP 69 N -6.44 6.77 0.33 1.46 -1.08 -1.26 -4.96 116.67 111.49 2jxt s ASP 69 Ca 0.03 0.94 0.07 0.00 -0.52 0.00 0.00 52.55 53.07 2jxt s ASP 69 Cb 0.08 -2.42 0.59 0.00 -1.46 0.00 0.00 42.92 39.72 2jxt s ASP 69 CO 0.76 -0.50 1.81 1.55 0.52 0.00 0.00 175.17 179.31 2jxt h PRO 70 N 7.76 0.31 -0.05 4.34 0.13 -2.00 -1.77 132.00 140.72 2jxt h PRO 70 Ca -0.24 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2jxt h PRO 70 Cb 1.10 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jxt h PRO 70 CO 0.86 0.53 -0.06 0.28 -0.23 0.00 0.00 178.00 179.38 2jxt h VAL 71 N 0.28 1.39 -0.67 1.56 2.07 -1.99 -1.82 116.25 117.07 2jxt h VAL 71 Ca 0.05 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2jxt h VAL 71 Cb 0.57 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 2jxt h VAL 71 CO 0.04 0.34 0.43 0.58 0.02 0.00 0.00 177.57 178.98 2jxt h VAL 72 N -0.35 1.18 -0.01 2.57 2.07 -1.90 0.13 116.25 119.94 2jxt h VAL 72 Ca 0.01 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2jxt h VAL 72 Cb 0.58 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2jxt h VAL 72 CO 0.01 0.18 -0.19 0.50 0.02 0.00 0.00 177.57 178.09 2jxt h LYS 73 N 0.91 -0.29 -0.74 1.57 3.64 -1.30 -2.24 116.57 118.11 2jxt h LYS 73 Ca 0.24 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2jxt h LYS 73 Cb -0.08 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2jxt h LYS 73 CO -0.05 -0.20 0.33 0.00 -2.27 0.00 0.00 179.45 177.26 2jxt h ALA 74 N 0.61 0.96 -0.93 5.00 0.00 -1.14 0.10 119.26 123.86 2jxt h ALA 74 Ca 0.06 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.94 2jxt h ALA 74 Cb 0.39 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2jxt h ALA 74 CO -0.19 0.55 0.59 1.25 0.00 0.00 0.00 179.25 181.45 2jxt h LEU 75 N 1.05 0.75 0.00 0.00 6.46 -0.63 -0.67 115.31 122.27 2jxt h LEU 75 Ca 0.25 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.01 2jxt h LEU 75 Cb 0.16 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2jxt h LEU 75 CO -0.03 0.39 -0.32 0.58 -0.62 0.00 0.00 178.44 178.44 2jxt h VAL 76 N 0.80 0.65 0.00 1.05 2.07 -1.13 -3.37 116.25 116.32 2jxt h VAL 76 Ca 0.46 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2jxt h VAL 76 Cb 0.63 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2jxt h VAL 76 CO -0.23 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.58 2jxt n GLN 77 N -4.64 0.34 0.08 1.57 6.02 -0.00 -1.66 117.38 119.08 2jxt n GLN 77 Ca -0.10 0.02 -0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2jxt n GLN 77 Cb 0.30 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 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 0.00 0.00 -1.09 0.11 -1.28 -3.31 114.38 108.81 2jxt h ARG 78 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2jxt h ARG 78 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2jxt h ARG 78 CO 0.00 0.48 -0.57 1.47 0.10 0.00 0.00 179.97 181.45 2jxt n LEU 79 N -3.10 0.59 -4.90 0.08 -0.00 -0.66 -4.90 117.00 104.11 2jxt n LEU 79 Ca -0.04 0.15 -0.28 0.00 -0.00 0.00 0.00 56.01 55.84 2jxt n LEU 79 Cb 0.82 -0.22 -0.01 0.00 -0.00 0.00 0.00 43.42 44.01 2jxt n LEU 79 CO 0.43 0.02 0.36 -1.61 -0.00 0.00 0.00 177.39 176.58 2jxt s GLU 80 N -3.10 3.60 -0.14 1.47 2.02 -1.23 -5.10 118.70 116.22 2jxt s GLU 80 Ca 0.08 0.14 -0.02 0.00 0.02 0.00 0.00 54.97 55.20 2jxt s GLU 80 Cb 0.15 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 2jxt s GLU 80 CO 0.71 -0.04 -0.09 -1.01 0.02 0.00 0.00 175.26 174.85 2jxt s HIS 81 N -2.48 2.90 0.45 1.61 3.76 -1.26 -4.99 115.29 115.28 2jxt s HIS 81 Ca 0.46 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2jxt s HIS 81 Cb -0.10 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 2jxt s HIS 81 CO 0.38 -0.17 0.00 0.72 -0.85 0.00 0.00 174.74 174.82 2jxt n HIS 82 N 3.60 1.04 -1.83 1.40 -0.00 -1.26 -5.11 115.22 113.06 2jxt n HIS 82 Ca -0.18 -2.23 -0.41 0.00 -0.00 0.00 0.00 57.72 54.90 2jxt n HIS 82 Cb 0.52 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.99 30.21 2jxt n HIS 82 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jxt s HIS 83 N -2.63 2.76 0.07 4.41 5.04 -1.26 -4.97 115.29 118.70 2jxt s HIS 83 Ca 0.00 0.93 -0.31 0.00 -1.54 0.00 0.00 55.06 54.14 2jxt s HIS 83 Cb 0.00 -4.01 -0.06 0.00 0.04 0.00 0.00 32.58 28.55 2jxt s HIS 83 CO 0.00 -3.27 1.22 -1.01 -2.34 0.00 0.00 174.74 169.34 2jxt s HIS 84 N -0.31 3.42 0.23 3.88 3.76 -1.26 -4.95 115.29 120.05 2jxt s HIS 84 Ca 0.60 1.26 -0.00 0.00 -0.15 0.00 0.00 55.06 56.77 2jxt s HIS 84 Cb -0.46 -3.45 0.24 0.00 1.11 0.00 0.00 32.58 30.01 2jxt s HIS 84 CO 0.51 -1.40 1.60 1.25 -0.85 0.00 0.00 174.74 175.85 2jxt h HIS 85 N 6.76 0.60 -0.03 1.40 2.76 -2.08 -3.58 115.15 120.98 2jxt h HIS 85 Ca -0.42 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.57 2jxt h HIS 85 Cb 1.21 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.05 2jxt h HIS 85 CO 0.67 0.85 0.00 0.72 -1.30 0.00 0.00 177.93 178.86