#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 2.82 0.30 3.17 2.20 -1.26 -4.97 119.74 122.00 2jxt s LYS 2 Ca 0.00 -0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 54.93 2jxt s LYS 2 Cb 0.00 -5.05 -0.09 0.00 -1.51 0.00 0.00 37.83 31.18 2jxt s LYS 2 CO 0.00 -3.02 0.99 1.41 -0.36 0.00 0.00 175.35 174.37 2jxt s MET 3 N 6.50 4.63 0.86 4.03 -2.45 -1.26 -5.07 119.30 126.55 2jxt s MET 3 Ca 0.63 1.50 -0.13 0.00 -1.25 0.00 0.00 55.69 56.44 2jxt s MET 3 Cb -0.06 -3.00 0.11 0.00 1.25 0.00 0.00 34.83 33.13 2jxt s MET 3 CO -0.01 0.29 1.18 0.15 1.05 0.00 0.00 175.02 177.69 2jxt s LYS 4 N -1.70 1.56 -0.52 4.11 3.01 -1.26 -4.96 119.74 119.98 2jxt s LYS 4 Ca 0.47 0.09 -0.27 0.00 -1.01 0.00 0.00 55.97 55.25 2jxt s LYS 4 Cb -0.24 -1.91 -0.01 0.00 -1.01 0.00 0.00 37.83 34.66 2jxt s LYS 4 CO 0.30 -1.87 1.75 -0.08 0.51 0.00 0.00 175.35 175.96 2jxt s THR 5 N -3.53 3.48 0.28 2.17 -1.32 -1.26 -4.96 115.64 110.49 2jxt s THR 5 Ca 0.64 0.38 -0.30 0.00 -1.21 0.00 0.00 61.69 61.20 2jxt s THR 5 Cb -0.11 -3.96 -0.11 0.00 -1.51 0.00 0.00 72.50 66.81 2jxt s THR 5 CO 0.51 -0.82 1.59 -0.54 -2.21 0.00 0.00 174.62 173.15 2jxt s LYS 6 N 6.35 4.14 -0.08 7.08 1.02 -1.20 -4.54 119.74 132.50 2jxt s LYS 6 Ca 0.68 2.55 -0.12 0.00 0.02 0.00 0.00 55.97 59.10 2jxt s LYS 6 Cb -0.15 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 2jxt s LYS 6 CO 0.25 -0.62 0.29 0.42 -0.92 0.00 0.00 175.35 174.77 2jxt s ILE 7 N 0.14 5.25 -0.26 2.17 1.09 -1.19 -0.40 121.20 128.01 2jxt s ILE 7 Ca 0.64 0.56 0.01 0.00 -1.10 0.00 0.00 60.65 60.76 2jxt s ILE 7 Cb -0.47 -3.59 0.05 0.00 -1.06 0.00 0.00 42.46 37.39 2jxt s ILE 7 CO 0.45 0.55 -0.08 -0.36 -0.10 0.00 0.00 174.94 175.41 2jxt s PHE 8 N -0.72 3.18 -0.81 3.97 0.40 0.51 -0.20 117.98 124.31 2jxt s PHE 8 Ca 0.19 -1.99 -0.25 0.00 -0.60 0.00 0.00 56.93 54.27 2jxt s PHE 8 Cb -0.14 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2jxt s PHE 8 CO 0.08 -0.82 1.71 0.50 0.70 0.00 0.00 175.22 177.38 2jxt s ARG 9 N 1.20 2.90 -0.25 0.44 3.52 0.22 -2.67 118.95 124.31 2jxt s ARG 9 Ca -0.05 -0.19 -0.19 0.00 -0.13 0.00 0.00 55.73 55.17 2jxt s ARG 9 Cb -0.19 -4.78 -0.02 0.00 -1.56 0.00 0.00 34.95 28.40 2jxt s ARG 9 CO -0.05 -2.74 0.56 0.08 -0.81 0.00 0.00 175.30 172.34 2jxt s VAL 10 N 8.00 5.04 -0.11 7.11 1.01 0.10 -1.32 120.40 140.22 2jxt s VAL 10 Ca 0.58 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.39 2jxt s VAL 10 Cb -0.07 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2jxt s VAL 10 CO 0.06 0.07 0.39 -0.75 0.00 0.00 0.00 175.10 174.87 2jxt s LYS 11 N 2.34 4.23 0.15 2.72 2.47 0.10 -0.58 119.74 131.17 2jxt s LYS 11 Ca 0.23 0.31 -0.05 0.00 -1.56 0.00 0.00 55.97 54.90 2jxt s LYS 11 Cb -0.16 -3.39 0.02 0.00 -1.46 0.00 0.00 37.83 32.84 2jxt s LYS 11 CO 0.09 0.28 0.28 0.41 0.16 0.00 0.00 175.35 176.57 2jxt n GLY 12 N 3.05 1.76 2.71 5.54 0.00 -0.72 -0.71 105.19 116.83 2jxt n GLY 12 Ca -0.10 -1.15 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.07 0.08 -0.04 1.61 1.02 -0.03 -0.09 119.74 120.21 2jxt s LYS 13 Ca 0.07 0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.32 2jxt s LYS 13 Cb -0.02 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 2jxt s LYS 13 CO 0.05 -0.30 0.12 -0.59 -0.92 0.00 0.00 175.35 173.71 2jxt s PHE 14 N 1.98 3.43 -0.07 3.18 -0.71 -0.34 -2.15 117.98 123.30 2jxt s PHE 14 Ca 0.03 0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.95 2jxt s PHE 14 Cb -0.12 -1.82 -0.02 0.00 -1.21 0.00 0.00 43.02 39.85 2jxt s PHE 14 CO -0.03 0.62 1.06 -1.17 -1.34 0.00 0.00 175.22 174.36 2jxt s LEU 15 N -1.55 4.27 -0.22 -1.99 1.98 -0.62 -1.17 118.68 119.38 2jxt s LEU 15 Ca 0.21 1.64 -0.04 0.00 -2.89 0.00 0.00 54.13 53.06 2jxt s LEU 15 Cb -0.12 -3.56 0.09 0.00 0.66 0.00 0.00 46.19 43.26 2jxt s LEU 15 CO 0.12 -0.47 0.19 -0.32 -1.89 0.00 0.00 176.35 173.99 2jxt s MET 16 N 1.93 0.18 -0.80 1.98 1.75 0.44 -4.88 119.30 119.90 2jxt s MET 16 Ca 0.51 0.01 -0.03 0.00 -1.25 0.00 0.00 55.69 54.93 2jxt s MET 16 Cb -0.21 -1.26 0.00 0.00 2.84 0.00 0.00 34.83 36.21 2jxt s MET 16 CO 0.20 -0.75 0.69 0.41 -0.65 0.00 0.00 175.02 174.92 2jxt n GLY 17 N 5.30 -0.00 2.65 2.11 0.00 -1.26 -2.87 105.19 111.12 2jxt n GLY 17 Ca -0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.69 -5.40 -4.30 1.61 8.00 -1.26 -4.99 116.55 108.52 2jxt n ASP 18 Ca -0.07 0.33 -0.24 0.00 0.71 0.00 0.00 54.79 55.52 2jxt n ASP 18 Cb 0.56 -4.07 -0.13 0.00 -0.02 0.00 0.00 41.12 37.46 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 -3.07 1.16 -0.32 -1.24 -0.14 -1.14 -5.13 119.74 109.87 2jxt s LYS 19 Ca 0.00 -1.19 -0.14 0.00 -1.36 0.00 0.00 55.97 53.28 2jxt s LYS 19 Cb 0.00 -1.44 -0.02 0.00 -1.68 0.00 0.00 37.83 34.68 2jxt s LYS 19 CO 0.00 0.34 0.32 -0.51 -0.76 0.00 0.00 175.35 174.73 2jxt s LEU 20 N -1.94 4.30 -0.24 3.17 1.43 -1.26 -0.42 118.68 123.72 2jxt s LEU 20 Ca 0.07 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2jxt s LEU 20 Cb -0.10 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2jxt s LEU 20 CO 0.04 -0.24 0.08 -1.10 0.23 0.00 0.00 176.35 175.36 2jxt s GLN 21 N 1.94 3.73 0.04 1.70 1.11 -0.32 -4.87 119.66 122.99 2jxt s GLN 21 Ca 0.11 -0.45 -0.30 0.00 0.01 0.00 0.00 55.36 54.73 2jxt s GLN 21 Cb -0.16 -3.32 -0.07 0.00 -1.01 0.00 0.00 33.01 28.44 2jxt s GLN 21 CO 0.11 -0.11 1.51 -2.14 0.01 0.00 0.00 175.29 174.67 2jxt s PRO 22 N 1.40 4.25 0.18 2.91 0.02 -1.26 -1.20 135.00 141.30 2jxt s PRO 22 Ca 0.05 2.13 0.11 0.00 0.02 0.00 0.00 61.00 63.31 2jxt s PRO 22 Cb -0.15 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.78 2jxt s PRO 22 CO 0.04 -0.63 -0.20 -0.59 -0.33 0.00 0.00 177.00 175.29 2jxt s PHE 23 N 2.36 2.40 -0.42 6.54 -0.12 0.87 -4.96 117.98 124.65 2jxt s PHE 23 Ca 0.68 -0.32 0.04 0.00 -0.05 0.00 0.00 56.93 57.28 2jxt s PHE 23 Cb -0.35 -1.20 0.11 0.00 -0.63 0.00 0.00 43.02 40.95 2jxt s PHE 23 CO 0.29 0.48 0.15 0.99 -0.05 0.00 0.00 175.22 177.08 2jxt s THR 24 N -1.59 2.33 -0.37 -4.49 2.01 -1.26 -1.75 115.64 110.52 2jxt s THR 24 Ca 0.21 -2.74 -0.16 0.00 0.31 0.00 0.00 61.69 59.30 2jxt s THR 24 Cb -0.08 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.75 2jxt s THR 24 CO 0.11 -0.70 0.42 -0.54 -0.69 0.00 0.00 174.62 173.22 2jxt s LYS 25 N 0.39 3.42 -0.63 4.92 -0.14 0.25 -4.91 119.74 123.04 2jxt s LYS 25 Ca 0.14 -0.48 -0.18 0.00 -1.36 0.00 0.00 55.97 54.09 2jxt s LYS 25 Cb -0.22 -3.86 0.12 0.00 -1.68 0.00 0.00 37.83 32.19 2jxt s LYS 25 CO -0.05 -0.66 0.71 -1.21 -0.76 0.00 0.00 175.35 173.38 2jxt s GLU 26 N 2.14 3.13 0.07 1.68 2.02 -1.26 0.00 118.70 126.48 2jxt s GLU 26 Ca 0.13 -1.52 0.06 0.00 0.02 0.00 0.00 54.97 53.66 2jxt s GLU 26 Cb -0.16 -4.33 -0.03 0.00 0.10 0.00 0.00 34.13 29.70 2jxt s GLU 26 CO 0.13 -1.50 -0.16 -0.48 0.02 0.00 0.00 175.26 173.27 2jxt s LEU 27 N 2.28 2.26 0.04 1.80 2.34 -1.09 -4.79 118.68 121.52 2jxt s LEU 27 Ca 0.12 -0.60 -0.19 0.00 0.06 0.00 0.00 54.13 53.53 2jxt s LEU 27 Cb -0.22 -0.62 -0.06 0.00 -0.56 0.00 0.00 46.19 44.72 2jxt s LEU 27 CO 0.03 -0.02 0.55 0.54 -1.06 0.00 0.00 176.35 176.40 2jxt s ASN 28 N -1.64 7.00 -0.03 1.48 4.22 -1.26 -0.36 114.94 124.35 2jxt s ASN 28 Ca 0.01 1.19 -0.28 0.00 -2.14 0.00 0.00 52.86 51.64 2jxt s ASN 28 Cb -0.10 -2.35 0.06 0.00 1.28 0.00 0.00 41.25 40.15 2jxt s ASN 28 CO 0.02 0.23 0.61 0.00 -2.04 0.00 0.00 177.10 175.93 2jxt s ALA 29 N -0.82 -1.59 0.09 3.54 0.00 0.47 -4.95 121.76 118.51 2jxt s ALA 29 Ca 0.29 1.09 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 2jxt s ALA 29 Cb -0.19 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 2jxt s ALA 29 CO 0.18 -0.38 1.50 0.82 0.00 0.00 0.00 175.76 177.87 2jxt h ILE 30 N 3.06 1.28 -4.36 0.00 5.03 -1.93 -3.18 117.51 117.40 2jxt h ILE 30 Ca -0.28 -1.08 -0.18 0.00 -0.12 0.00 0.00 64.86 63.20 2jxt h ILE 30 Cb 1.16 1.38 -0.15 0.00 -3.03 0.00 0.00 36.82 36.18 2jxt h ILE 30 CO 0.39 0.34 -0.59 0.00 -0.68 0.00 0.00 178.15 177.62 2jxt s ARG 31 N -4.80 1.00 0.48 2.37 1.70 -1.26 -4.84 118.95 113.60 2jxt s ARG 31 Ca -0.13 -1.43 0.16 0.00 -0.47 0.00 0.00 55.73 53.86 2jxt s ARG 31 Cb 0.08 0.27 1.15 0.00 -0.57 0.00 0.00 34.95 35.88 2jxt s ARG 31 CO 0.78 -0.31 2.06 0.93 -1.08 0.00 0.00 175.30 177.68 2jxt h GLU 32 N 2.78 0.00 -0.85 3.89 5.08 -1.99 -2.17 114.58 121.31 2jxt h GLU 32 Ca -0.35 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2jxt h GLU 32 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2jxt h GLU 32 CO 0.56 0.11 0.55 0.93 -1.00 0.00 0.00 179.01 180.17 2jxt h GLU 33 N 0.00 0.86 -0.24 2.33 5.08 -2.00 -2.31 114.58 118.30 2jxt h GLU 33 Ca -0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2jxt h GLU 33 Cb 0.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jxt h GLU 33 CO 0.01 0.57 -0.16 0.93 -1.00 0.00 0.00 179.01 179.37 2jxt h GLU 34 N 0.89 0.41 -0.42 2.33 4.39 -1.82 -3.08 114.58 117.29 2jxt h GLU 34 Ca 0.38 -0.12 0.08 0.00 0.34 0.00 0.00 59.36 60.04 2jxt h GLU 34 Cb 0.32 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.85 2jxt h GLU 34 CO -0.15 0.57 -0.02 0.82 -1.16 0.00 0.00 179.01 179.07 2jxt h ILE 35 N 0.38 0.66 0.05 3.13 2.04 -1.50 -2.70 117.51 119.57 2jxt h ILE 35 Ca 0.07 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2jxt h ILE 35 Cb 0.51 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2jxt h ILE 35 CO 0.03 0.02 -0.40 1.88 0.00 0.00 0.00 178.15 179.67 2jxt h TYR 36 N 0.08 -1.13 -0.79 1.37 -1.99 -1.62 -0.14 116.97 112.75 2jxt h TYR 36 Ca 0.21 0.03 0.04 0.00 2.00 0.00 0.00 58.73 61.01 2jxt h TYR 36 Cb 0.30 0.49 -0.05 0.00 2.00 0.00 0.00 36.73 39.47 2jxt h TYR 36 CO -0.30 -0.49 0.50 0.93 -0.00 0.00 0.00 178.16 178.80 2jxt h GLU 37 N -0.59 0.93 -0.12 4.88 5.08 -1.65 -2.45 114.58 120.66 2jxt h GLU 37 Ca 0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2jxt h GLU 37 Cb 0.65 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jxt h GLU 37 CO -0.28 0.61 -0.08 0.00 -1.00 0.00 0.00 179.01 178.27 2jxt h ARG 38 N 0.96 0.26 -0.17 2.33 2.47 -1.15 -3.05 114.38 116.03 2jxt h ARG 38 Ca 0.32 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 2jxt h ARG 38 Cb 0.05 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2jxt h ARG 38 CO -0.13 0.62 0.11 -0.07 0.56 0.00 0.00 179.97 181.07 2jxt h LEU 39 N -0.10 0.19 -1.29 3.04 3.38 -0.89 -1.55 115.31 118.10 2jxt h LEU 39 Ca 0.02 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2jxt h LEU 39 Cb 0.56 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2jxt h LEU 39 CO 0.02 0.14 0.53 1.88 0.09 0.00 0.00 178.44 181.10 2jxt h TYR 40 N 0.23 0.86 -0.07 1.13 0.05 -1.52 0.57 116.97 118.23 2jxt h TYR 40 Ca 0.06 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2jxt h TYR 40 Cb -0.02 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.43 2jxt h TYR 40 CO -0.07 0.43 0.02 1.03 -1.05 0.00 0.00 178.16 178.52 2jxt h SER 41 N 0.83 0.10 0.11 3.88 0.87 -1.34 -2.04 113.55 115.95 2jxt h SER 41 Ca 0.36 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2jxt h SER 41 Cb 0.33 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2jxt h SER 41 CO -0.14 0.28 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.31 2jxt h GLU 42 N -0.09 -0.14 -0.59 2.24 4.81 -0.27 -0.96 114.58 119.58 2jxt h GLU 42 Ca 0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jxt h GLU 42 Cb 0.22 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2jxt h GLU 42 CO -0.00 0.07 0.34 0.74 -0.73 0.00 0.00 179.01 179.43 2jxt h PHE 43 N -0.33 0.78 0.00 0.92 0.04 -1.01 0.11 116.94 117.44 2jxt h PHE 43 Ca -0.01 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2jxt h PHE 43 Cb 0.27 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2jxt h PHE 43 CO -0.01 0.53 -0.23 0.78 -0.60 0.00 0.00 178.31 178.78 2jxt h GLY 44 N 0.86 0.00 0.04 -1.45 0.00 -1.19 0.38 103.07 101.72 2jxt h GLY 44 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 2jxt h GLY 44 CO -0.04 0.00 -0.01 0.23 0.00 0.00 0.00 176.54 176.73 2jxt h SER 45 N 0.00 -0.01 0.14 0.19 0.87 0.52 -3.05 113.55 112.21 2jxt h SER 45 Ca -0.00 -0.68 -0.32 0.00 -1.23 0.00 0.00 61.79 59.56 2jxt h SER 45 Cb 0.46 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2jxt h SER 45 CO 0.03 0.81 -1.65 0.07 -0.53 0.00 0.00 176.83 175.56 2jxt h LYS 46 N -0.97 0.30 -0.01 2.24 2.10 -0.96 -3.39 116.57 115.87 2jxt h LYS 46 Ca -0.00 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2jxt h LYS 46 Cb 0.69 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2jxt h LYS 46 CO 0.00 1.24 -0.21 0.72 -2.00 0.00 0.00 179.45 179.20 2jxt n HIS 47 N -3.74 0.00 -1.73 0.07 8.25 -0.05 -4.98 115.22 113.05 2jxt n HIS 47 Ca -0.27 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.00 2jxt n HIS 47 Cb 0.99 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 32.03 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 -0.03 -1.40 -2.97 -0.41 5.12 0.12 -4.92 116.66 112.17 2jxt n ARG 48 Ca 0.06 1.14 -0.41 0.00 -1.93 0.00 0.00 57.85 56.71 2jxt n ARG 48 Cb 0.28 -5.52 -0.05 0.00 -1.16 0.00 0.00 32.46 26.01 2jxt n ARG 48 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jxt s VAL 49 N -2.77 4.91 0.65 1.55 1.01 -0.72 -4.81 120.40 120.22 2jxt s VAL 49 Ca 0.00 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 2jxt s VAL 49 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2jxt s VAL 49 CO 0.00 0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.02 2jxt s PRO 50 N 2.40 2.98 0.53 2.72 0.04 -1.26 -3.12 135.00 139.28 2jxt s PRO 50 Ca 0.33 1.20 0.18 0.00 0.04 0.00 0.00 61.00 62.75 2jxt s PRO 50 Cb -0.16 -1.99 1.32 0.00 0.04 0.00 0.00 34.50 33.71 2jxt s PRO 50 CO 0.10 -1.09 2.14 0.07 0.04 0.00 0.00 177.00 178.26 2jxt h ARG 51 N -0.10 0.00 0.00 4.56 0.11 -1.94 0.94 114.38 117.95 2jxt h ARG 51 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2jxt h ARG 51 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2jxt h ARG 51 CO 0.56 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.29 2jxt h SER 52 N 0.00 0.00 -0.24 0.08 4.64 -2.01 -2.31 113.55 113.71 2jxt h SER 52 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jxt h SER 52 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2jxt h SER 52 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2jxt n LYS 53 N -2.45 2.90 -4.02 4.77 4.76 0.31 -4.97 118.16 119.45 2jxt n LYS 53 Ca 0.00 -1.91 -0.35 0.00 -2.87 0.00 0.00 58.31 53.19 2jxt n LYS 53 Cb 0.15 -1.20 -0.11 0.00 -1.84 0.00 0.00 35.03 32.03 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 -1.04 4.37 -0.23 -0.18 1.01 -0.87 -1.58 120.40 121.87 2jxt s VAL 54 Ca 0.17 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2jxt s VAL 54 Cb 0.09 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.53 2jxt s VAL 54 CO 0.11 0.43 -0.14 -0.75 0.00 0.00 0.00 175.10 174.75 2jxt s LYS 55 N 0.81 2.54 -0.34 2.72 2.47 -0.91 -4.98 119.74 122.05 2jxt s LYS 55 Ca 0.02 -1.15 -0.22 0.00 -1.56 0.00 0.00 55.97 53.06 2jxt s LYS 55 Cb -0.14 -2.78 0.00 0.00 -1.46 0.00 0.00 37.83 33.45 2jxt s LYS 55 CO 0.02 -0.43 0.74 0.42 0.16 0.00 0.00 175.35 176.26 2jxt s ILE 56 N 1.18 4.80 -0.19 5.43 1.01 -1.26 -0.85 121.20 131.32 2jxt s ILE 56 Ca -0.04 0.91 -0.19 0.00 0.00 0.00 0.00 60.65 61.34 2jxt s ILE 56 Cb -0.17 -4.15 -0.16 0.00 0.01 0.00 0.00 42.46 37.99 2jxt s ILE 56 CO -0.08 -0.33 0.15 -0.33 0.00 0.00 0.00 174.94 174.35 2jxt h GLU 57 N 8.35 0.00 -3.45 2.79 4.39 -1.26 -3.48 114.58 121.91 2jxt h GLU 57 Ca -0.25 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.33 2jxt h GLU 57 Cb 1.10 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.57 2jxt h GLU 57 CO 0.88 0.76 -0.38 -2.00 -1.16 0.00 0.00 179.01 177.11 2jxt s GLU 58 N -2.31 0.66 -0.09 2.33 2.56 0.06 -5.00 118.70 116.91 2jxt s GLU 58 Ca -0.25 -0.52 0.01 0.00 0.00 0.00 0.00 54.97 54.21 2jxt s GLU 58 Cb 0.04 0.28 0.02 0.00 2.00 0.00 0.00 34.13 36.47 2jxt s GLU 58 CO 0.50 -0.19 -0.08 0.42 -0.56 0.00 0.00 175.26 175.35 2jxt s ILE 59 N -2.17 0.98 -0.19 -3.70 1.01 -1.26 0.03 121.20 115.89 2jxt s ILE 59 Ca -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2jxt s ILE 59 Cb -0.03 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2jxt s ILE 59 CO -0.02 0.34 -0.14 -1.61 0.00 0.00 0.00 174.94 173.51 2jxt s GLU 60 N 1.28 3.15 -0.42 2.79 2.02 -0.44 -4.95 118.70 122.12 2jxt s GLU 60 Ca -0.04 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 53.93 2jxt s GLU 60 Cb -0.14 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.40 2jxt s GLU 60 CO -0.03 -0.17 1.03 -2.00 0.02 0.00 0.00 175.26 174.11 2jxt s GLU 61 N 1.26 3.77 0.30 1.61 -6.30 -1.26 0.72 118.70 118.80 2jxt s GLU 61 Ca 0.03 0.57 0.08 0.00 -2.50 0.00 0.00 54.97 53.15 2jxt s GLU 61 Cb -0.14 -3.86 -0.06 0.00 0.00 0.00 0.00 34.13 30.08 2jxt s GLU 61 CO -0.08 -1.16 -0.09 0.96 0.02 0.00 0.00 175.26 174.92 2jxt s ILE 62 N 3.92 1.90 0.41 -3.70 -4.36 0.73 -4.97 121.20 115.13 2jxt s ILE 62 Ca 0.43 -2.18 -0.14 0.00 -0.26 0.00 0.00 60.65 58.50 2jxt s ILE 62 Cb -0.10 -2.48 -0.08 0.00 1.25 0.00 0.00 42.46 41.05 2jxt s ILE 62 CO 0.24 -0.29 0.83 -0.44 0.24 0.00 0.00 174.94 175.52 2jxt s SER 63 N -3.49 6.65 0.30 4.36 0.01 -1.26 -3.15 113.70 117.11 2jxt s SER 63 Ca 0.30 1.33 0.06 0.00 1.31 0.00 0.00 55.95 58.95 2jxt s SER 63 Cb 0.02 -2.40 0.77 0.00 0.21 0.00 0.00 66.02 64.62 2jxt s SER 63 CO 0.13 -0.39 1.72 -0.65 0.41 0.00 0.00 173.24 174.46 2jxt h PRO 64 N 1.48 0.50 0.00 12.44 0.11 -1.94 0.13 132.00 144.72 2jxt h PRO 64 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2jxt h PRO 64 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jxt h PRO 64 CO 0.63 0.33 -0.03 1.05 -0.21 0.00 0.00 178.00 179.78 2jxt h GLU 65 N 0.52 0.00 -0.08 1.05 4.11 -1.97 -2.42 114.58 115.78 2jxt h GLU 65 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 2jxt h GLU 65 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2jxt h GLU 65 CO -0.48 0.03 0.00 0.39 0.07 0.00 0.00 179.01 179.02 2jxt n GLU 66 N -3.14 1.46 -3.00 1.06 -0.58 0.46 -4.77 120.64 112.14 2jxt n GLU 66 Ca 0.00 -0.69 -0.43 0.00 -0.42 0.00 0.00 57.16 55.62 2jxt n GLU 66 Cb 0.30 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 29.72 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 4.71 -0.15 2.62 1.01 -0.91 -4.93 120.40 120.85 2jxt s VAL 67 Ca 0.34 0.49 0.18 0.00 0.00 0.00 0.00 61.98 62.98 2jxt s VAL 67 Cb 0.17 -4.26 0.14 0.00 0.00 0.00 0.00 36.38 32.43 2jxt s VAL 67 CO 0.27 -0.61 1.54 1.56 0.00 0.00 0.00 175.10 177.86 2jxt h GLN 68 N 8.82 0.00 -6.19 2.72 1.08 -1.88 -3.43 115.11 116.23 2jxt h GLN 68 Ca -0.25 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.37 2jxt h GLN 68 Cb 1.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 2jxt h GLN 68 CO 0.93 0.37 1.34 0.34 -0.95 0.00 0.00 178.83 180.86 2jxt s ASP 69 N -6.38 5.79 0.51 1.46 -1.08 -1.26 -4.88 116.67 110.83 2jxt s ASP 69 Ca 0.04 1.51 0.27 0.00 -0.52 0.00 0.00 52.55 53.84 2jxt s ASP 69 Cb 0.08 -2.52 1.38 0.00 -1.46 0.00 0.00 42.92 40.40 2jxt s ASP 69 CO 0.71 -1.76 2.04 1.55 0.52 0.00 0.00 175.17 178.24 2jxt h PRO 70 N 13.43 0.00 0.02 4.34 0.13 -1.98 -1.05 132.00 146.89 2jxt h PRO 70 Ca -0.36 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jxt h PRO 70 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jxt h PRO 70 CO 1.01 0.13 -0.01 0.28 -0.23 0.00 0.00 178.00 179.18 2jxt h VAL 71 N 0.00 1.41 -0.24 1.56 2.07 -1.97 -1.95 116.25 117.13 2jxt h VAL 71 Ca -0.00 -1.85 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 2jxt h VAL 71 Cb 0.38 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2jxt h VAL 71 CO 0.02 0.44 0.09 0.58 0.02 0.00 0.00 177.57 178.71 2jxt h VAL 72 N -0.90 1.18 -0.76 2.57 2.07 -1.85 0.17 116.25 118.72 2jxt h VAL 72 Ca -0.00 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.04 2jxt h VAL 72 Cb 0.75 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2jxt h VAL 72 CO 0.01 0.19 0.50 0.50 0.02 0.00 0.00 177.57 178.78 2jxt h LYS 73 N 0.23 0.70 -0.42 1.57 3.64 -1.32 -0.38 116.57 120.60 2jxt h LYS 73 Ca 0.08 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2jxt h LYS 73 Cb 0.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2jxt h LYS 73 CO -0.00 0.47 -0.24 0.00 -2.27 0.00 0.00 179.45 177.40 2jxt h ALA 74 N 1.61 0.77 -0.12 5.00 0.00 -0.89 0.58 119.26 126.20 2jxt h ALA 74 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2jxt h ALA 74 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jxt h ALA 74 CO -0.13 0.66 -0.16 1.25 0.00 0.00 0.00 179.25 180.87 2jxt h LEU 75 N 0.75 0.18 0.00 0.00 6.46 0.60 -0.66 115.31 122.64 2jxt h LEU 75 Ca 0.10 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2jxt h LEU 75 Cb 0.79 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2jxt h LEU 75 CO 0.07 0.36 -0.11 0.58 -0.62 0.00 0.00 178.44 178.72 2jxt h VAL 76 N 0.18 0.60 0.00 1.05 2.07 -1.04 -3.37 116.25 115.74 2jxt h VAL 76 Ca 0.04 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2jxt h VAL 76 Cb 0.39 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2jxt h VAL 76 CO 0.02 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.82 2jxt n GLN 77 N -4.70 0.03 -0.30 1.57 6.02 0.18 -2.93 117.38 117.25 2jxt n GLN 77 Ca -0.05 0.33 -0.02 0.00 -0.01 0.00 0.00 57.00 57.25 2jxt n GLN 77 Cb 0.21 -1.56 0.15 0.00 1.02 0.00 0.00 30.24 30.05 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 1.18 0.00 -1.09 0.11 -1.28 0.24 114.38 113.54 2jxt h ARG 78 Ca 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2jxt h ARG 78 Cb 0.21 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 31.04 2jxt h ARG 78 CO 0.00 0.82 0.00 1.47 0.10 0.00 0.00 179.97 182.36 2jxt n LEU 79 N -4.37 0.12 -0.05 0.08 -0.00 -1.15 -3.33 117.00 108.29 2jxt n LEU 79 Ca 0.10 0.51 -0.20 0.00 -0.00 0.00 0.00 56.01 56.42 2jxt n LEU 79 Cb 0.06 -0.48 -0.13 0.00 -0.00 0.00 0.00 43.42 42.87 2jxt n LEU 79 CO 0.38 -0.07 -1.03 -0.62 -0.00 0.00 0.00 177.39 176.05 2jxt n GLU 80 N -1.61 0.72 -1.87 1.47 1.02 -0.65 -4.80 120.64 114.92 2jxt n GLU 80 Ca 0.06 0.22 -0.24 0.00 -0.02 0.00 0.00 57.16 57.17 2jxt n GLU 80 Cb 0.33 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 2jxt n GLU 80 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jxt s HIS 81 N -2.54 1.53 -0.19 -0.32 3.76 0.75 -4.93 115.29 113.35 2jxt s HIS 81 Ca -0.27 1.13 -0.04 0.00 -0.15 0.00 0.00 55.06 55.73 2jxt s HIS 81 Cb 0.08 -3.83 -0.02 0.00 1.11 0.00 0.00 32.58 29.91 2jxt s HIS 81 CO 0.70 -1.81 -0.02 -3.38 -0.85 0.00 0.00 174.74 169.39 2jxt s HIS 82 N 11.58 3.02 -1.11 1.40 -3.43 -1.26 -4.95 115.29 120.54 2jxt s HIS 82 Ca 0.79 -0.48 -0.06 0.00 -0.80 0.00 0.00 55.06 54.51 2jxt s HIS 82 Cb -0.10 -2.05 0.29 0.00 -1.43 0.00 0.00 32.58 29.28 2jxt s HIS 82 CO 0.06 -0.23 1.49 0.72 -2.00 0.00 0.00 174.74 174.77 2jxt n HIS 83 N 4.14 2.77 -3.35 0.38 8.25 -1.26 -4.91 115.22 121.24 2jxt n HIS 83 Ca -0.17 -2.79 -0.14 0.00 -0.26 0.00 0.00 57.72 54.36 2jxt n HIS 83 Cb 0.52 -1.41 -0.07 0.00 1.12 0.00 0.00 29.99 30.14 2jxt n HIS 83 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jxt s HIS 84 N -2.14 -0.65 -1.45 4.41 5.04 -1.26 -5.00 115.29 114.24 2jxt s HIS 84 Ca 0.32 -0.18 0.25 0.00 -1.54 0.00 0.00 55.06 53.91 2jxt s HIS 84 Cb 0.03 -0.31 0.45 0.00 0.04 0.00 0.00 32.58 32.79 2jxt s HIS 84 CO 0.07 -0.97 1.37 1.58 -2.34 0.00 0.00 174.74 174.45 2jxt n HIS 85 N 4.98 0.00 0.04 3.88 -0.00 -1.26 -5.28 115.22 117.58 2jxt n HIS 85 Ca 0.03 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.22 2jxt n HIS 85 Cb 0.47 -0.13 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 2jxt n HIS 85 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38