#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 3.99 0.30 0.03 -2.85 -1.26 -5.08 119.74 114.87 2jxt s LYS 2 Ca 0.00 0.91 -0.04 0.00 -1.00 0.00 0.00 55.97 55.84 2jxt s LYS 2 Cb 0.00 -2.20 0.02 0.00 -2.06 0.00 0.00 37.83 33.59 2jxt s LYS 2 CO 0.00 -0.16 0.47 0.00 0.10 0.00 0.00 175.35 175.76 2jxt n MET 3 N -1.26 0.67 -1.97 1.78 0.00 -1.26 -5.12 117.12 109.98 2jxt n MET 3 Ca 0.06 -2.19 -0.42 0.00 0.00 0.00 0.00 57.70 55.14 2jxt n MET 3 Cb 0.54 2.25 -0.03 0.00 0.00 0.00 0.00 33.22 35.98 2jxt n MET 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2jxt s LYS 4 N -2.51 4.14 0.30 3.17 2.20 -1.26 -4.93 119.74 120.84 2jxt s LYS 4 Ca 0.21 2.21 -0.30 0.00 -0.36 0.00 0.00 55.97 57.73 2jxt s LYS 4 Cb -0.02 -4.02 -0.12 0.00 -1.51 0.00 0.00 37.83 32.17 2jxt s LYS 4 CO 0.15 -0.91 1.60 -2.37 -0.36 0.00 0.00 175.35 173.47 2jxt n THR 5 N 5.58 1.05 -3.28 3.43 5.66 -1.26 -4.98 114.28 120.48 2jxt n THR 5 Ca 0.18 -0.26 -0.39 0.00 -3.05 0.00 0.00 64.05 60.53 2jxt n THR 5 Cb 0.43 -1.98 -0.06 0.00 -1.55 0.00 0.00 70.33 67.16 2jxt n THR 5 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2jxt s LYS 6 N -0.55 4.27 -0.44 1.09 1.02 0.71 -4.83 119.74 121.02 2jxt s LYS 6 Ca 0.64 0.44 -0.23 0.00 0.02 0.00 0.00 55.97 56.83 2jxt s LYS 6 Cb -0.49 -3.50 0.02 0.00 -0.52 0.00 0.00 37.83 33.35 2jxt s LYS 6 CO 0.49 0.01 0.81 0.42 -0.92 0.00 0.00 175.35 176.15 2jxt s ILE 7 N 1.11 4.64 -0.49 2.17 1.09 -1.26 -0.22 121.20 128.24 2jxt s ILE 7 Ca 0.25 0.56 -0.19 0.00 -1.10 0.00 0.00 60.65 60.18 2jxt s ILE 7 Cb -0.15 -4.32 0.05 0.00 -1.06 0.00 0.00 42.46 36.98 2jxt s ILE 7 CO 0.10 -0.68 0.58 -0.36 -0.10 0.00 0.00 174.94 174.47 2jxt s PHE 8 N 3.33 3.09 -0.96 3.97 0.08 0.82 -0.41 117.98 127.89 2jxt s PHE 8 Ca 0.31 -0.53 -0.24 0.00 0.12 0.00 0.00 56.93 56.59 2jxt s PHE 8 Cb -0.12 -3.40 -0.00 0.00 -0.57 0.00 0.00 43.02 38.93 2jxt s PHE 8 CO 0.22 -0.95 1.72 0.50 -0.10 0.00 0.00 175.22 176.60 2jxt s ARG 9 N 2.46 3.04 0.16 0.44 3.52 0.26 -2.44 118.95 126.40 2jxt s ARG 9 Ca 0.14 -0.69 -0.28 0.00 -0.13 0.00 0.00 55.73 54.77 2jxt s ARG 9 Cb -0.19 -5.20 -0.08 0.00 -1.56 0.00 0.00 34.95 27.92 2jxt s ARG 9 CO 0.12 -2.84 0.87 0.08 -0.81 0.00 0.00 175.30 172.72 2jxt s VAL 10 N 7.69 4.34 -0.24 7.11 1.01 0.13 -1.22 120.40 139.22 2jxt s VAL 10 Ca 0.59 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 64.46 2jxt s VAL 10 Cb -0.03 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.18 2jxt s VAL 10 CO -0.05 0.45 0.01 -0.75 0.00 0.00 0.00 175.10 174.76 2jxt s LYS 11 N -0.79 1.13 0.00 2.72 2.47 0.06 0.12 119.74 125.45 2jxt s LYS 11 Ca 0.40 -0.86 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 2jxt s LYS 11 Cb -0.24 -2.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.78 2jxt s LYS 11 CO 0.28 -0.70 0.00 0.41 0.16 0.00 0.00 175.35 175.51 2jxt n GLY 12 N 4.81 3.90 3.09 5.54 0.00 -0.74 -0.26 105.19 121.52 2jxt n GLY 12 Ca -0.08 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 1.05 1.00 -0.07 1.61 1.02 0.18 -0.55 119.74 124.00 2jxt s LYS 13 Ca 0.00 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.55 2jxt s LYS 13 Cb 0.00 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.33 2jxt s LYS 13 CO 0.00 0.26 -0.23 -0.59 -0.92 0.00 0.00 175.35 173.87 2jxt s PHE 14 N -0.37 2.33 -0.44 3.18 -0.71 0.13 -0.34 117.98 121.75 2jxt s PHE 14 Ca 0.04 -0.76 -0.28 0.00 -1.04 0.00 0.00 56.93 54.89 2jxt s PHE 14 Cb -0.05 -1.54 0.03 0.00 -1.21 0.00 0.00 43.02 40.24 2jxt s PHE 14 CO -0.00 -0.26 1.07 -1.17 -1.34 0.00 0.00 175.22 173.52 2jxt s LEU 15 N 0.02 3.77 -0.07 -1.99 1.98 0.05 -1.28 118.68 121.16 2jxt s LEU 15 Ca -0.08 0.49 0.01 0.00 -2.89 0.00 0.00 54.13 51.66 2jxt s LEU 15 Cb -0.15 -3.46 0.02 0.00 0.66 0.00 0.00 46.19 43.26 2jxt s LEU 15 CO 0.05 -1.13 -0.08 -0.32 -1.89 0.00 0.00 176.35 172.98 2jxt s MET 16 N 4.14 1.30 -1.33 1.98 1.75 0.38 -4.80 119.30 122.72 2jxt s MET 16 Ca 0.45 -0.23 -0.05 0.00 -1.25 0.00 0.00 55.69 54.60 2jxt s MET 16 Cb -0.09 -1.25 0.01 0.00 2.84 0.00 0.00 34.83 36.34 2jxt s MET 16 CO 0.27 -0.11 0.70 0.41 -0.65 0.00 0.00 175.02 175.65 2jxt n GLY 17 N 4.29 -0.38 2.54 2.11 0.00 -1.26 -1.62 105.19 110.87 2jxt n GLY 17 Ca -0.19 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.17 -5.56 -4.15 1.61 8.00 -1.26 -4.98 116.55 108.03 2jxt n ASP 18 Ca -0.07 0.37 -0.24 0.00 0.71 0.00 0.00 54.79 55.57 2jxt n ASP 18 Cb 0.59 -4.79 -0.15 0.00 -0.02 0.00 0.00 41.12 36.75 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 -4.07 1.32 -0.44 -1.24 1.02 -0.64 -5.12 119.74 110.57 2jxt s LYS 19 Ca 0.00 -0.58 -0.22 0.00 0.02 0.00 0.00 55.97 55.19 2jxt s LYS 19 Cb 0.00 -1.28 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 2jxt s LYS 19 CO 0.00 0.35 0.73 -0.51 -0.92 0.00 0.00 175.35 175.00 2jxt s LEU 20 N -0.38 4.34 -0.20 3.17 1.43 -1.26 -0.47 118.68 125.30 2jxt s LEU 20 Ca 0.06 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 2jxt s LEU 20 Cb -0.06 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 2jxt s LEU 20 CO -0.01 -0.85 0.24 -1.10 0.23 0.00 0.00 176.35 174.86 2jxt s GLN 21 N 3.10 4.17 0.37 1.70 1.11 -0.41 -4.87 119.66 124.83 2jxt s GLN 21 Ca 0.27 -0.06 -0.25 0.00 0.01 0.00 0.00 55.36 55.33 2jxt s GLN 21 Cb -0.13 -3.48 -0.09 0.00 -1.01 0.00 0.00 33.01 28.30 2jxt s GLN 21 CO 0.21 0.13 1.05 -1.25 0.01 0.00 0.00 175.29 175.45 2jxt s PRO 22 N 0.81 4.27 0.03 2.91 0.04 -1.26 -0.69 135.00 141.11 2jxt s PRO 22 Ca 0.12 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.72 2jxt s PRO 22 Cb -0.13 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2jxt s PRO 22 CO 0.04 -0.06 -0.05 -0.59 0.04 0.00 0.00 177.00 176.38 2jxt s PHE 23 N -1.57 0.45 -0.40 0.56 -0.12 0.29 -4.93 117.98 112.25 2jxt s PHE 23 Ca 0.55 -0.53 0.03 0.00 -0.05 0.00 0.00 56.93 56.93 2jxt s PHE 23 Cb -0.23 -0.29 0.11 0.00 -0.63 0.00 0.00 43.02 41.97 2jxt s PHE 23 CO 0.30 -0.15 0.13 0.99 -0.05 0.00 0.00 175.22 176.44 2jxt s THR 24 N -1.50 2.47 -0.40 -4.49 2.01 -1.26 -1.80 115.64 110.68 2jxt s THR 24 Ca -0.13 -2.62 -0.13 0.00 0.31 0.00 0.00 61.69 59.13 2jxt s THR 24 Cb -0.09 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.66 2jxt s THR 24 CO -0.01 -0.67 0.26 -0.54 -0.69 0.00 0.00 174.62 172.97 2jxt s LYS 25 N 0.56 2.89 -0.57 4.92 -0.14 0.12 -4.92 119.74 122.60 2jxt s LYS 25 Ca 0.13 -1.07 -0.20 0.00 -1.36 0.00 0.00 55.97 53.46 2jxt s LYS 25 Cb -0.21 -3.87 0.07 0.00 -1.68 0.00 0.00 37.83 32.14 2jxt s LYS 25 CO -0.05 -0.74 0.76 -1.21 -0.76 0.00 0.00 175.35 173.34 2jxt s GLU 26 N 1.61 3.12 -0.01 1.68 2.02 -1.26 0.19 118.70 126.06 2jxt s GLU 26 Ca 0.03 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.15 2jxt s GLU 26 Cb -0.19 -4.17 -0.01 0.00 0.10 0.00 0.00 34.13 29.85 2jxt s GLU 26 CO 0.08 -1.48 -0.16 -0.48 0.02 0.00 0.00 175.26 173.24 2jxt s LEU 27 N 3.12 2.03 -0.18 1.80 2.34 -1.02 -4.85 118.68 121.91 2jxt s LEU 27 Ca 0.17 -0.30 -0.22 0.00 0.06 0.00 0.00 54.13 53.85 2jxt s LEU 27 Cb -0.19 -0.84 -0.02 0.00 -0.56 0.00 0.00 46.19 44.57 2jxt s LEU 27 CO 0.11 0.20 0.66 0.54 -1.06 0.00 0.00 176.35 176.80 2jxt s ASN 28 N -0.38 6.75 0.07 1.48 4.22 -1.26 -0.13 114.94 125.69 2jxt s ASN 28 Ca 0.06 0.91 0.01 0.00 -2.14 0.00 0.00 52.86 51.70 2jxt s ASN 28 Cb -0.06 -2.37 -0.00 0.00 1.28 0.00 0.00 41.25 40.10 2jxt s ASN 28 CO -0.01 -0.27 0.07 0.00 -2.04 0.00 0.00 177.10 174.85 2jxt n ALA 29 N 4.94 0.11 -0.11 3.54 0.00 0.69 -4.90 120.51 124.77 2jxt n ALA 29 Ca -0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 2jxt n ALA 29 Cb 0.50 0.34 -0.10 0.00 0.00 0.00 0.00 19.45 20.18 2jxt n ALA 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2jxt n ILE 30 N -0.14 1.24 -3.98 0.00 -0.00 -1.26 -0.21 119.36 115.02 2jxt n ILE 30 Ca 0.01 -0.47 -0.09 0.00 -0.00 0.00 0.00 62.75 62.20 2jxt n ILE 30 Cb 0.13 -1.27 -0.04 0.00 -0.00 0.00 0.00 39.64 38.46 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 -2.43 1.65 0.22 0.38 1.70 -1.26 -4.82 118.95 114.38 2jxt s ARG 31 Ca -0.29 -1.27 -0.09 0.00 -0.47 0.00 0.00 55.73 53.60 2jxt s ARG 31 Cb 0.08 0.50 0.17 0.00 -0.57 0.00 0.00 34.95 35.13 2jxt s ARG 31 CO 0.50 -0.70 1.88 0.93 -1.08 0.00 0.00 175.30 176.83 2jxt h GLU 32 N 2.19 1.06 -0.03 3.89 5.08 -2.00 -1.44 114.58 123.34 2jxt h GLU 32 Ca -0.26 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2jxt h GLU 32 Cb 1.25 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2jxt h GLU 32 CO 0.34 0.71 0.13 0.93 -1.00 0.00 0.00 179.01 180.13 2jxt h GLU 33 N 1.09 0.00 0.11 2.33 5.08 -2.01 -0.45 114.58 120.72 2jxt h GLU 33 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2jxt h GLU 33 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2jxt h GLU 33 CO -0.06 0.00 -0.05 0.93 -1.00 0.00 0.00 179.01 178.83 2jxt h GLU 34 N 0.00 -0.14 -0.84 2.33 4.39 -1.69 -3.36 114.58 115.27 2jxt h GLU 34 Ca 0.01 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.86 2jxt h GLU 34 Cb 0.28 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 28.82 2jxt h GLU 34 CO -0.00 0.22 -0.38 0.82 -1.16 0.00 0.00 179.01 178.51 2jxt h ILE 35 N -0.97 0.06 0.38 3.13 2.04 -0.72 0.55 117.51 121.98 2jxt h ILE 35 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2jxt h ILE 35 Cb 0.43 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2jxt h ILE 35 CO 0.02 0.00 -0.52 1.88 0.00 0.00 0.00 178.15 179.54 2jxt h TYR 36 N -0.07 -1.46 -0.88 1.37 0.05 -1.66 -1.06 116.97 113.27 2jxt h TYR 36 Ca 0.29 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.09 2jxt h TYR 36 Cb 0.57 0.59 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 2jxt h TYR 36 CO -0.79 -0.65 0.56 0.93 -1.05 0.00 0.00 178.16 177.15 2jxt h GLU 37 N -0.93 1.18 -0.48 4.88 4.39 -1.51 -1.75 114.58 120.35 2jxt h GLU 37 Ca -0.04 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2jxt h GLU 37 Cb 0.84 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2jxt h GLU 37 CO -0.14 0.80 -0.11 0.00 -1.16 0.00 0.00 179.01 178.41 2jxt h ARG 38 N 1.21 0.92 -0.20 2.33 2.47 -0.65 -1.18 114.38 119.28 2jxt h ARG 38 Ca 0.32 -0.35 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 2jxt h ARG 38 Cb -0.10 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.16 2jxt h ARG 38 CO -0.06 1.00 -0.10 -0.07 0.56 0.00 0.00 179.97 181.30 2jxt h LEU 39 N 0.77 0.43 -1.69 3.04 3.38 -0.98 0.68 115.31 120.95 2jxt h LEU 39 Ca 0.12 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.78 2jxt h LEU 39 Cb 0.66 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2jxt h LEU 39 CO 0.05 0.75 0.39 1.88 0.09 0.00 0.00 178.44 181.60 2jxt h TYR 40 N 0.11 0.37 -0.03 1.13 0.05 -1.27 -0.18 116.97 117.14 2jxt h TYR 40 Ca 0.04 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 2jxt h TYR 40 Cb 0.59 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2jxt h TYR 40 CO 0.07 0.17 -0.13 1.03 -1.05 0.00 0.00 178.16 178.25 2jxt h SER 41 N 0.35 0.17 0.38 3.88 0.87 -0.93 -3.06 113.55 115.21 2jxt h SER 41 Ca 0.27 -0.65 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 2jxt h SER 41 Cb 0.59 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2jxt h SER 41 CO -0.07 0.79 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.76 2jxt h GLU 42 N -0.44 -0.49 -1.00 2.24 4.81 -0.23 -0.25 114.58 119.22 2jxt h GLU 42 Ca -0.01 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.39 2jxt h GLU 42 Cb 0.78 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.19 2jxt h GLU 42 CO 0.03 -0.20 0.62 0.74 -0.73 0.00 0.00 179.01 179.47 2jxt h PHE 43 N -0.75 1.12 -0.19 0.92 0.04 -1.22 0.31 116.94 117.17 2jxt h PHE 43 Ca -0.05 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 2jxt h PHE 43 Cb 0.51 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2jxt h PHE 43 CO 0.00 0.39 -0.25 0.78 -0.60 0.00 0.00 178.31 178.64 2jxt h GLY 44 N 0.93 0.38 0.00 -1.45 0.00 -1.43 0.37 103.07 101.88 2jxt h GLY 44 Ca 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2jxt h GLY 44 CO -0.30 0.27 0.00 -1.26 0.00 0.00 0.00 176.54 175.25 2jxt n SER 45 N -4.14 0.00 -0.24 0.19 2.88 0.53 -2.40 113.62 110.43 2jxt n SER 45 Ca -0.01 0.56 -0.08 0.00 -1.33 0.00 0.00 58.87 58.02 2jxt n SER 45 Cb 0.38 -0.44 0.04 0.00 -0.75 0.00 0.00 64.21 63.45 2jxt n SER 45 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2jxt h LYS 46 N 0.00 1.12 0.00 -1.46 2.10 -0.69 -3.32 116.57 114.31 2jxt h LYS 46 Ca 0.00 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2jxt h LYS 46 Cb 0.00 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 2jxt h LYS 46 CO 0.00 1.01 -0.71 1.58 -2.00 0.00 0.00 179.45 179.33 2jxt n HIS 47 N -4.22 0.00 -3.04 0.07 -0.00 -0.66 -5.01 115.22 102.36 2jxt n HIS 47 Ca 0.05 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.02 2jxt n HIS 47 Cb 0.28 -0.06 0.04 0.00 -0.12 0.00 0.00 29.99 30.13 2jxt n HIS 47 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jxt n ARG 48 N -1.39 -4.92 -3.14 1.57 1.74 0.12 -4.93 116.66 105.71 2jxt n ARG 48 Ca 0.01 0.81 -0.39 0.00 -0.77 0.00 0.00 57.85 57.51 2jxt n ARG 48 Cb 0.16 -5.51 -0.05 0.00 -1.02 0.00 0.00 32.46 26.03 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 -3.15 5.06 0.35 1.55 1.01 -0.55 -4.88 120.40 119.79 2jxt s VAL 49 Ca 0.32 1.28 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 2jxt s VAL 49 Cb -0.14 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 2jxt s VAL 49 CO 0.39 0.30 1.45 -2.16 0.00 0.00 0.00 175.10 175.09 2jxt s PRO 50 N 0.57 4.18 0.18 2.72 0.04 -1.26 -3.55 135.00 137.87 2jxt s PRO 50 Ca 0.33 2.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.70 2jxt s PRO 50 Cb -0.17 -3.00 0.15 0.00 0.04 0.00 0.00 34.50 31.51 2jxt s PRO 50 CO 0.16 -0.46 1.69 -0.09 0.04 0.00 0.00 177.00 178.34 2jxt h ARG 51 N 3.36 0.09 0.00 4.56 2.43 -1.97 -0.81 114.38 122.04 2jxt h ARG 51 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2jxt h ARG 51 Cb 1.23 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2jxt h ARG 51 CO 0.67 0.06 0.00 0.45 -1.51 0.00 0.00 179.97 179.64 2jxt n SER 52 N -5.23 0.07 -0.66 -3.80 2.88 -1.26 -1.63 113.62 103.98 2jxt n SER 52 Ca 0.04 0.52 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 2jxt n SER 52 Cb 0.24 -0.53 0.05 0.00 -0.75 0.00 0.00 64.21 63.22 2jxt n SER 52 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jxt n LYS 53 N -1.58 1.62 -3.21 -1.46 4.76 -0.31 -4.86 118.16 113.13 2jxt n LYS 53 Ca 0.02 -1.33 -0.42 0.00 -2.87 0.00 0.00 58.31 53.71 2jxt n LYS 53 Cb 0.10 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.29 4.97 -0.38 -0.18 1.01 -0.65 -0.77 120.40 122.10 2jxt s VAL 54 Ca 0.22 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 2jxt s VAL 54 Cb 0.19 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2jxt s VAL 54 CO 0.47 -0.35 0.17 -0.75 0.00 0.00 0.00 175.10 174.64 2jxt s LYS 55 N 2.50 2.39 -0.00 2.72 2.47 0.53 -5.02 119.74 125.33 2jxt s LYS 55 Ca 0.19 -1.49 -0.30 0.00 -1.56 0.00 0.00 55.97 52.81 2jxt s LYS 55 Cb -0.15 -3.56 -0.03 0.00 -1.46 0.00 0.00 37.83 32.62 2jxt s LYS 55 CO 0.15 -0.89 1.04 0.42 0.16 0.00 0.00 175.35 176.23 2jxt s ILE 56 N 1.30 4.65 -0.10 5.43 1.01 -1.26 -0.64 121.20 131.59 2jxt s ILE 56 Ca 0.02 1.90 0.02 0.00 0.00 0.00 0.00 60.65 62.60 2jxt s ILE 56 Cb -0.22 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 2jxt s ILE 56 CO -0.00 0.12 -0.07 -0.62 0.00 0.00 0.00 174.94 174.37 2jxt n GLU 57 N 4.10 0.76 -3.98 2.79 -0.58 -1.21 -4.93 120.64 117.58 2jxt n GLU 57 Ca 0.07 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 2jxt n GLU 57 Cb 0.49 -1.21 -0.13 0.00 -0.57 0.00 0.00 31.44 30.03 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 -2.20 0.24 -0.26 3.49 2.56 0.64 -4.99 118.70 118.18 2jxt s GLU 58 Ca -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 54.97 54.49 2jxt s GLU 58 Cb 0.03 -0.06 0.08 0.00 2.00 0.00 0.00 34.13 36.18 2jxt s GLU 58 CO 0.26 0.01 0.08 0.42 -0.56 0.00 0.00 175.26 175.47 2jxt s ILE 59 N -0.71 0.49 -0.28 -3.70 1.01 -1.26 -0.76 121.20 115.99 2jxt s ILE 59 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 2jxt s ILE 59 Cb -0.05 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.21 2jxt s ILE 59 CO -0.00 -0.50 0.01 -0.70 0.00 0.00 0.00 174.94 173.74 2jxt s GLU 60 N 1.84 2.85 -0.23 2.79 2.12 -0.36 -4.94 118.70 122.77 2jxt s GLU 60 Ca 0.05 -0.99 -0.29 0.00 0.36 0.00 0.00 54.97 54.10 2jxt s GLU 60 Cb -0.17 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 2jxt s GLU 60 CO -0.21 -0.46 1.41 -2.00 -0.54 0.00 0.00 175.26 173.45 2jxt s GLU 61 N 1.38 3.97 0.50 4.30 2.12 -1.26 0.89 118.70 130.59 2jxt s GLU 61 Ca 0.00 1.52 0.05 0.00 0.36 0.00 0.00 54.97 56.90 2jxt s GLU 61 Cb -0.17 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.31 2jxt s GLU 61 CO -0.01 -1.06 0.26 0.96 -0.54 0.00 0.00 175.26 174.86 2jxt s ILE 62 N 4.40 1.76 0.20 -3.70 -4.36 0.45 -4.93 121.20 115.02 2jxt s ILE 62 Ca 0.61 -1.65 -0.10 0.00 -0.26 0.00 0.00 60.65 59.25 2jxt s ILE 62 Cb -0.21 -2.41 -0.07 0.00 1.25 0.00 0.00 42.46 41.02 2jxt s ILE 62 CO 0.23 0.00 0.53 -0.44 0.24 0.00 0.00 174.94 175.50 2jxt s SER 63 N -4.09 6.65 0.20 4.36 0.01 -1.26 -3.99 113.70 115.57 2jxt s SER 63 Ca 0.30 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.37 2jxt s SER 63 Cb 0.00 -2.22 0.24 0.00 0.21 0.00 0.00 66.02 64.25 2jxt s SER 63 CO 0.18 -0.02 1.75 1.55 0.41 0.00 0.00 173.24 177.11 2jxt h PRO 64 N 2.80 0.40 0.00 12.44 0.13 -1.95 -2.10 132.00 143.73 2jxt h PRO 64 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2jxt h PRO 64 Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jxt h PRO 64 CO 0.69 0.26 -0.08 -0.85 -0.23 0.00 0.00 178.00 177.79 2jxt n GLU 65 N -4.98 0.14 0.02 0.86 0.00 -1.26 -3.17 120.64 112.25 2jxt n GLU 65 Ca 0.07 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.46 2jxt n GLU 65 Cb 0.24 -1.65 0.27 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.89 0.11 -1.78 3.44 -0.58 -0.80 -4.91 120.64 114.23 2jxt n GLU 66 Ca 0.06 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.42 2jxt n GLU 66 Cb 0.39 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 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 -3.06 2.18 0.01 2.62 1.01 -1.14 -4.93 120.40 117.08 2jxt s VAL 67 Ca 0.10 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 2jxt s VAL 67 Cb 0.16 -3.08 -0.29 0.00 0.00 0.00 0.00 36.38 33.17 2jxt s VAL 67 CO 0.68 0.01 0.87 1.56 0.00 0.00 0.00 175.10 178.23 2jxt h GLN 68 N 6.81 0.32 -6.19 2.72 1.08 -1.92 -3.45 115.11 114.47 2jxt h GLN 68 Ca -0.43 -0.54 -0.56 0.00 -1.45 0.00 0.00 58.65 55.67 2jxt h GLN 68 Cb 1.20 0.20 0.01 0.00 -0.05 0.00 0.00 27.48 28.84 2jxt h GLN 68 CO 0.95 1.21 1.34 0.34 -0.95 0.00 0.00 178.83 181.71 2jxt s ASP 69 N -7.13 6.01 0.30 1.46 -1.08 -1.26 -4.88 116.67 110.08 2jxt s ASP 69 Ca -0.10 2.29 0.02 0.00 -0.52 0.00 0.00 52.55 54.24 2jxt s ASP 69 Cb 0.06 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.47 2jxt s ASP 69 CO 0.87 -1.46 1.79 1.55 0.52 0.00 0.00 175.17 178.44 2jxt h PRO 70 N 12.55 0.58 0.08 4.34 0.13 -1.98 -1.58 132.00 146.12 2jxt h PRO 70 Ca -0.45 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2jxt h PRO 70 Cb 1.23 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jxt h PRO 70 CO 0.95 0.67 -0.04 0.28 -0.23 0.00 0.00 178.00 179.63 2jxt h VAL 71 N 0.54 1.18 -0.41 1.56 2.07 -1.99 -0.67 116.25 118.54 2jxt h VAL 71 Ca 0.10 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2jxt h VAL 71 Cb 0.47 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2jxt h VAL 71 CO 0.03 0.25 0.20 0.58 0.02 0.00 0.00 177.57 178.64 2jxt h VAL 72 N -0.58 1.17 -0.53 2.57 2.07 -1.88 -0.13 116.25 118.94 2jxt h VAL 72 Ca -0.01 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2jxt h VAL 72 Cb 0.48 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2jxt h VAL 72 CO 0.02 0.18 0.35 0.50 0.02 0.00 0.00 177.57 178.64 2jxt h LYS 73 N 0.52 0.67 -0.12 1.57 3.64 -1.31 -0.17 116.57 121.37 2jxt h LYS 73 Ca 0.14 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 2jxt h LYS 73 Cb 0.10 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2jxt h LYS 73 CO -0.02 0.45 -0.53 0.00 -2.27 0.00 0.00 179.45 177.08 2jxt h ALA 74 N 1.68 0.87 -0.17 5.00 0.00 -0.69 -2.81 119.26 123.14 2jxt h ALA 74 Ca 0.20 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2jxt h ALA 74 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jxt h ALA 74 CO -0.05 0.68 0.02 1.25 0.00 0.00 0.00 179.25 181.16 2jxt h LEU 75 N 0.27 0.27 -0.98 0.00 6.46 0.49 -3.01 115.31 118.80 2jxt h LEU 75 Ca 0.01 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.52 2jxt h LEU 75 Cb 1.02 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.83 2jxt h LEU 75 CO 0.09 0.47 0.65 0.58 -0.62 0.00 0.00 178.44 179.61 2jxt h VAL 76 N 0.06 1.22 0.00 1.05 2.07 -1.12 -2.31 116.25 117.22 2jxt h VAL 76 Ca 0.05 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2jxt h VAL 76 Cb 0.32 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2jxt h VAL 76 CO 0.00 0.24 0.00 1.56 0.02 0.00 0.00 177.57 179.39 2jxt h GLN 77 N 1.30 0.00 0.00 1.57 4.20 -1.37 -2.78 115.11 118.03 2jxt h GLN 77 Ca 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.08 2jxt h GLN 77 Cb -0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2jxt h GLN 77 CO -0.10 0.00 -0.02 0.07 -0.67 0.00 0.00 178.83 178.11 2jxt h ARG 78 N 0.00 0.00 -0.39 1.46 0.11 -1.29 -2.14 114.38 112.13 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 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2jxt h ARG 78 CO 0.00 0.02 0.00 1.47 0.10 0.00 0.00 179.97 181.56 2jxt n LEU 79 N -3.13 3.07 0.00 0.08 -0.00 -1.05 -5.01 117.00 110.96 2jxt n LEU 79 Ca 0.00 -1.83 -0.17 0.00 -0.00 0.00 0.00 56.01 54.01 2jxt n LEU 79 Cb 0.29 -0.26 0.09 0.00 -0.00 0.00 0.00 43.42 43.54 2jxt n LEU 79 CO 0.27 0.74 0.43 -0.62 -0.00 0.00 0.00 177.39 178.20 2jxt n GLU 80 N 0.85 -0.01 -3.28 1.47 -0.58 -0.81 -5.07 120.64 113.21 2jxt n GLU 80 Ca 0.14 -1.91 -0.38 0.00 -0.42 0.00 0.00 57.16 54.59 2jxt n GLU 80 Cb 0.47 -0.53 -0.06 0.00 -0.57 0.00 0.00 31.44 30.75 2jxt n GLU 80 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2jxt s HIS 81 N -2.25 3.53 -0.36 -0.32 3.76 -1.26 -5.02 115.29 113.37 2jxt s HIS 81 Ca 0.48 0.94 -0.28 0.00 -0.15 0.00 0.00 55.06 56.05 2jxt s HIS 81 Cb -0.03 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.06 2jxt s HIS 81 CO 0.32 0.17 1.83 -1.01 -0.85 0.00 0.00 174.74 175.20 2jxt s HIS 82 N 0.61 1.76 -0.21 1.40 3.76 -1.26 -4.91 115.29 116.44 2jxt s HIS 82 Ca 0.27 0.66 -0.28 0.00 -0.15 0.00 0.00 55.06 55.56 2jxt s HIS 82 Cb -0.15 -4.11 -0.05 0.00 1.11 0.00 0.00 32.58 29.38 2jxt s HIS 82 CO 0.11 -2.91 2.17 -1.01 -0.85 0.00 0.00 174.74 172.24 2jxt s HIS 83 N 7.25 1.23 -0.87 1.40 0.09 -1.26 -4.87 115.29 118.26 2jxt s HIS 83 Ca 0.80 0.49 -0.25 0.00 -0.00 0.00 0.00 55.06 56.10 2jxt s HIS 83 Cb -0.22 -3.96 -0.00 0.00 -0.00 0.00 0.00 32.58 28.40 2jxt s HIS 83 CO 0.32 -4.08 1.69 -1.01 -0.00 0.00 0.00 174.74 171.66 2jxt s HIS 84 N 7.94 2.08 -0.53 1.40 3.76 -1.26 -4.92 115.29 123.76 2jxt s HIS 84 Ca 0.98 0.10 -0.02 0.00 -0.15 0.00 0.00 55.06 55.96 2jxt s HIS 84 Cb -0.33 -4.34 0.14 0.00 1.11 0.00 0.00 32.58 29.17 2jxt s HIS 84 CO 0.35 -1.94 0.33 -1.58 -0.85 0.00 0.00 174.74 171.06 2jxt s HIS 85 N 7.73 3.47 -1.61 1.40 5.04 -1.26 -5.34 115.29 124.72 2jxt s HIS 85 Ca 0.57 -2.65 0.00 0.00 -1.54 0.00 0.00 55.06 51.44 2jxt s HIS 85 Cb -0.06 -3.18 0.00 0.00 0.04 0.00 0.00 32.58 29.39 2jxt s HIS 85 CO 0.02 -0.88 0.40 -2.39 -2.34 0.00 0.00 174.74 169.55