#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 3.05 0.54 0.03 -0.14 -1.26 -4.98 119.74 116.98 2jxt s LYS 2 Ca 0.00 -0.17 0.07 0.00 -1.36 0.00 0.00 55.97 54.51 2jxt s LYS 2 Cb 0.00 -4.53 0.05 0.00 -1.68 0.00 0.00 37.83 31.67 2jxt s LYS 2 CO 0.00 -2.44 0.54 0.00 -0.76 0.00 0.00 175.35 172.69 2jxt s MET 3 N 6.08 2.30 0.09 1.68 0.23 -1.26 -5.14 119.30 123.28 2jxt s MET 3 Ca 0.49 -1.84 0.01 0.00 -1.03 0.00 0.00 55.69 53.32 2jxt s MET 3 Cb -0.08 -2.32 -0.04 0.00 -1.53 0.00 0.00 34.83 30.86 2jxt s MET 3 CO 0.11 -0.66 0.22 0.21 -2.03 0.00 0.00 175.02 172.86 2jxt s LYS 4 N -4.40 3.39 -0.12 3.16 2.47 -1.26 -5.04 119.74 117.94 2jxt s LYS 4 Ca 0.45 -0.51 -0.29 0.00 -1.56 0.00 0.00 55.97 54.06 2jxt s LYS 4 Cb -0.04 -2.99 -0.07 0.00 -1.46 0.00 0.00 37.83 33.28 2jxt s LYS 4 CO 0.28 0.58 2.12 -2.37 0.16 0.00 0.00 175.35 176.12 2jxt n THR 5 N 0.07 0.52 -3.56 3.43 5.66 -1.26 -4.74 114.28 114.40 2jxt n THR 5 Ca -0.06 -0.32 -0.32 0.00 -3.05 0.00 0.00 64.05 60.30 2jxt n THR 5 Cb 0.52 -2.44 -0.05 0.00 -1.55 0.00 0.00 70.33 66.81 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 5.57 3.71 -0.26 1.09 1.02 0.12 -4.70 119.74 126.28 2jxt s LYS 6 Ca 0.96 0.09 -0.18 0.00 0.02 0.00 0.00 55.97 56.87 2jxt s LYS 6 Cb -0.39 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2jxt s LYS 6 CO 0.39 0.42 0.52 0.42 -0.92 0.00 0.00 175.35 176.17 2jxt s ILE 7 N -1.68 5.07 -0.26 2.17 1.09 -1.23 -0.32 121.20 126.04 2jxt s ILE 7 Ca 0.42 0.89 -0.07 0.00 -1.10 0.00 0.00 60.65 60.79 2jxt s ILE 7 Cb -0.12 -3.83 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 2jxt s ILE 7 CO 0.22 0.09 0.08 -0.36 -0.10 0.00 0.00 174.94 174.87 2jxt s PHE 8 N 2.28 3.10 -0.96 3.97 0.08 0.84 -0.46 117.98 126.82 2jxt s PHE 8 Ca 0.21 -0.50 -0.24 0.00 0.12 0.00 0.00 56.93 56.52 2jxt s PHE 8 Cb -0.16 -2.25 0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2jxt s PHE 8 CO 0.09 -0.39 1.43 0.50 -0.10 0.00 0.00 175.22 176.75 2jxt s ARG 9 N 1.60 3.49 -0.17 0.44 3.52 0.15 -1.77 118.95 126.21 2jxt s ARG 9 Ca 0.06 -0.93 -0.21 0.00 -0.13 0.00 0.00 55.73 54.52 2jxt s ARG 9 Cb -0.15 -5.13 -0.03 0.00 -1.56 0.00 0.00 34.95 28.08 2jxt s ARG 9 CO 0.04 -2.23 0.64 0.08 -0.81 0.00 0.00 175.30 173.01 2jxt s VAL 10 N 5.27 5.03 -0.22 7.11 1.01 0.48 -1.75 120.40 137.32 2jxt s VAL 10 Ca 0.45 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 2jxt s VAL 10 Cb -0.02 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2jxt s VAL 10 CO -0.05 0.15 0.09 -0.75 0.00 0.00 0.00 175.10 174.54 2jxt s LYS 11 N 1.62 3.88 0.00 2.72 2.47 0.58 -0.01 119.74 131.01 2jxt s LYS 11 Ca 0.30 -0.37 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 2jxt s LYS 11 Cb -0.16 -3.33 0.00 0.00 -1.46 0.00 0.00 37.83 32.88 2jxt s LYS 11 CO 0.12 0.06 0.00 0.41 0.16 0.00 0.00 175.35 176.10 2jxt n GLY 12 N 4.21 1.66 3.04 5.54 0.00 -0.57 0.19 105.19 119.26 2jxt n GLY 12 Ca -0.16 -0.94 -0.20 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 -1.76 0.87 -0.08 1.61 1.02 0.80 0.73 119.74 122.93 2jxt s LYS 13 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.66 2jxt s LYS 13 Cb 0.00 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 2jxt s LYS 13 CO 0.00 0.20 -0.17 -0.59 -0.92 0.00 0.00 175.35 173.87 2jxt s PHE 14 N -0.16 2.66 -0.56 3.18 -0.71 -0.67 -0.98 117.98 120.74 2jxt s PHE 14 Ca 0.03 -0.52 -0.28 0.00 -1.04 0.00 0.00 56.93 55.12 2jxt s PHE 14 Cb -0.05 -1.70 0.03 0.00 -1.21 0.00 0.00 43.02 40.09 2jxt s PHE 14 CO -0.00 -0.09 1.24 -1.17 -1.34 0.00 0.00 175.22 173.86 2jxt s LEU 15 N -0.15 3.46 -0.12 -1.99 1.98 0.33 -1.86 118.68 120.32 2jxt s LEU 15 Ca -0.02 0.20 -0.00 0.00 -2.89 0.00 0.00 54.13 51.43 2jxt s LEU 15 Cb -0.14 -3.20 0.02 0.00 0.66 0.00 0.00 46.19 43.54 2jxt s LEU 15 CO 0.04 -1.50 -0.10 -0.32 -1.89 0.00 0.00 176.35 172.58 2jxt s MET 16 N 5.01 1.79 -1.16 1.98 1.75 0.29 -4.77 119.30 124.19 2jxt s MET 16 Ca 0.46 -0.36 -0.06 0.00 -1.25 0.00 0.00 55.69 54.48 2jxt s MET 16 Cb -0.08 -1.76 0.01 0.00 2.84 0.00 0.00 34.83 35.84 2jxt s MET 16 CO 0.26 -0.25 1.00 0.41 -0.65 0.00 0.00 175.02 175.80 2jxt n GLY 17 N 4.85 -0.34 2.37 2.11 0.00 -1.26 -2.10 105.19 110.82 2jxt n GLY 17 Ca -0.14 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.54 -4.72 -4.18 1.61 9.92 -1.26 -4.96 116.55 110.43 2jxt n ASP 18 Ca -0.05 0.42 -0.25 0.00 -0.53 0.00 0.00 54.79 54.39 2jxt n ASP 18 Cb 0.57 -4.22 -0.15 0.00 -0.64 0.00 0.00 41.12 36.68 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 -3.58 1.42 -0.45 -1.24 1.02 -0.89 -5.12 119.74 110.89 2jxt s LYS 19 Ca 0.00 -0.66 -0.20 0.00 0.02 0.00 0.00 55.97 55.13 2jxt s LYS 19 Cb 0.00 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 35.96 2jxt s LYS 19 CO 0.00 0.38 0.59 -0.51 -0.92 0.00 0.00 175.35 174.88 2jxt s LEU 20 N -0.50 4.69 -0.36 3.17 1.43 -1.26 -0.55 118.68 125.30 2jxt s LEU 20 Ca 0.07 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.43 2jxt s LEU 20 Cb -0.07 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2jxt s LEU 20 CO -0.00 -0.76 0.56 -1.10 0.23 0.00 0.00 176.35 175.28 2jxt s GLN 21 N 2.61 3.61 -0.51 1.70 1.11 -0.78 -4.87 119.66 122.54 2jxt s GLN 21 Ca 0.18 -0.11 -0.28 0.00 0.01 0.00 0.00 55.36 55.17 2jxt s GLN 21 Cb -0.16 -3.82 -0.01 0.00 -1.01 0.00 0.00 33.01 28.02 2jxt s GLN 21 CO 0.16 -0.69 1.65 -1.25 0.01 0.00 0.00 175.29 175.17 2jxt s PRO 22 N 2.51 3.11 0.17 2.91 0.04 -1.26 -1.68 135.00 140.80 2jxt s PRO 22 Ca 0.21 0.78 0.01 0.00 0.04 0.00 0.00 61.00 62.03 2jxt s PRO 22 Cb -0.15 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2jxt s PRO 22 CO 0.14 -2.15 0.33 -0.59 0.04 0.00 0.00 177.00 174.77 2jxt s PHE 23 N 7.21 3.49 -0.42 0.56 -0.12 0.22 -4.91 117.98 124.01 2jxt s PHE 23 Ca 0.64 0.25 0.02 0.00 -0.05 0.00 0.00 56.93 57.79 2jxt s PHE 23 Cb -0.14 -1.77 0.11 0.00 -0.63 0.00 0.00 43.02 40.59 2jxt s PHE 23 CO 0.26 0.45 0.16 0.99 -0.05 0.00 0.00 175.22 177.03 2jxt s THR 24 N -1.79 2.68 -0.50 -4.49 2.01 -1.26 -1.52 115.64 110.78 2jxt s THR 24 Ca 0.37 -2.55 -0.15 0.00 0.31 0.00 0.00 61.69 59.67 2jxt s THR 24 Cb -0.11 -2.90 0.10 0.00 0.01 0.00 0.00 72.50 69.60 2jxt s THR 24 CO 0.29 -0.69 0.43 -0.54 -0.69 0.00 0.00 174.62 173.42 2jxt s LYS 25 N 0.61 2.97 -0.56 4.92 -0.14 0.98 -4.90 119.74 123.63 2jxt s LYS 25 Ca 0.12 -1.51 -0.25 0.00 -1.36 0.00 0.00 55.97 52.97 2jxt s LYS 25 Cb -0.21 -4.19 0.04 0.00 -1.68 0.00 0.00 37.83 31.79 2jxt s LYS 25 CO -0.05 -1.15 1.01 -1.21 -0.76 0.00 0.00 175.35 173.19 2jxt s GLU 26 N 1.61 3.38 0.14 1.68 2.02 -1.26 -0.39 118.70 125.88 2jxt s GLU 26 Ca 0.04 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 54.93 2jxt s GLU 26 Cb -0.27 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 29.88 2jxt s GLU 26 CO 0.05 -1.54 -0.08 -0.48 0.02 0.00 0.00 175.26 173.23 2jxt s LEU 27 N 4.22 2.48 -0.00 1.80 2.34 -0.73 -4.85 118.68 123.94 2jxt s LEU 27 Ca 0.34 -1.03 -0.21 0.00 0.06 0.00 0.00 54.13 53.29 2jxt s LEU 27 Cb -0.11 -0.22 -0.05 0.00 -0.56 0.00 0.00 46.19 45.24 2jxt s LEU 27 CO 0.21 -0.41 0.61 0.54 -1.06 0.00 0.00 176.35 176.25 2jxt s ASN 28 N -3.13 6.99 -0.08 1.48 4.22 -1.26 -0.11 114.94 123.05 2jxt s ASN 28 Ca 0.16 1.18 -0.29 0.00 -2.14 0.00 0.00 52.86 51.77 2jxt s ASN 28 Cb 0.04 -2.37 0.07 0.00 1.28 0.00 0.00 41.25 40.26 2jxt s ASN 28 CO -0.01 0.08 0.66 0.00 -2.04 0.00 0.00 177.10 175.80 2jxt s ALA 29 N -0.12 -1.72 0.27 3.54 0.00 0.56 -4.94 121.76 119.36 2jxt s ALA 29 Ca 0.32 1.36 0.07 0.00 0.00 0.00 0.00 51.96 53.70 2jxt s ALA 29 Cb -0.18 -0.15 0.36 0.00 0.00 0.00 0.00 23.12 23.14 2jxt s ALA 29 CO 0.18 -0.36 1.63 0.82 0.00 0.00 0.00 175.76 178.02 2jxt h ILE 30 N 3.18 1.37 -2.50 0.00 5.03 -1.85 0.33 117.51 123.07 2jxt h ILE 30 Ca -0.27 -1.82 0.15 0.00 -0.12 0.00 0.00 64.86 62.79 2jxt h ILE 30 Cb 1.14 1.91 -0.07 0.00 -3.03 0.00 0.00 36.82 36.78 2jxt h ILE 30 CO 0.35 0.54 0.42 0.00 -0.68 0.00 0.00 178.15 178.78 2jxt s ARG 31 N -3.87 1.35 0.28 2.37 1.70 -1.26 -4.64 118.95 114.87 2jxt s ARG 31 Ca -0.04 -0.75 0.02 0.00 -0.47 0.00 0.00 55.73 54.50 2jxt s ARG 31 Cb 0.13 0.46 0.61 0.00 -0.57 0.00 0.00 34.95 35.57 2jxt s ARG 31 CO 0.78 -0.62 1.78 0.93 -1.08 0.00 0.00 175.30 177.09 2jxt h GLU 32 N 2.00 0.71 -0.70 3.89 5.08 -2.00 -0.57 114.58 122.99 2jxt h GLU 32 Ca -0.23 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.27 2jxt h GLU 32 Cb 1.23 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2jxt h GLU 32 CO 0.25 0.47 0.49 0.93 -1.00 0.00 0.00 179.01 180.15 2jxt h GLU 33 N 0.73 0.12 0.07 2.33 5.08 -2.01 -1.39 114.58 119.50 2jxt h GLU 33 Ca 0.51 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.60 2jxt h GLU 33 Cb 0.72 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.97 2jxt h GLU 33 CO -0.36 0.08 -1.06 0.93 -1.00 0.00 0.00 179.01 177.61 2jxt h GLU 34 N 0.12 0.59 -0.49 2.33 4.39 -1.51 -3.37 114.58 116.64 2jxt h GLU 34 Ca 0.34 -0.73 0.10 0.00 0.34 0.00 0.00 59.36 59.41 2jxt h GLU 34 Cb 1.16 0.23 -0.10 0.00 -0.10 0.00 0.00 28.75 29.94 2jxt h GLU 34 CO -0.04 1.31 -0.20 0.82 -1.16 0.00 0.00 179.01 179.74 2jxt h ILE 35 N 0.20 0.38 -0.03 3.13 2.04 -1.12 -1.60 117.51 120.51 2jxt h ILE 35 Ca -0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2jxt h ILE 35 Cb 1.74 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 2jxt h ILE 35 CO 0.20 0.00 -0.41 1.88 0.00 0.00 0.00 178.15 179.82 2jxt h TYR 36 N -0.09 -1.16 -0.55 1.37 -1.99 -1.72 0.45 116.97 113.28 2jxt h TYR 36 Ca 0.23 0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.96 2jxt h TYR 36 Cb 0.45 0.52 -0.03 0.00 2.00 0.00 0.00 36.73 39.67 2jxt h TYR 36 CO -0.48 -0.48 0.17 0.93 -0.00 0.00 0.00 178.16 178.29 2jxt h GLU 37 N -0.55 0.82 -0.58 4.88 5.08 -1.66 -0.08 114.58 122.49 2jxt h GLU 37 Ca 0.05 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2jxt h GLU 37 Cb 0.64 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2jxt h GLU 37 CO -0.33 0.72 0.28 0.00 -1.00 0.00 0.00 179.01 178.68 2jxt h ARG 38 N 0.80 0.84 -0.24 2.33 2.47 -0.70 -0.37 114.38 119.51 2jxt h ARG 38 Ca 0.18 -0.13 -0.08 0.00 -1.26 0.00 0.00 59.98 58.69 2jxt h ARG 38 Cb 0.24 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2jxt h ARG 38 CO -0.01 0.69 -0.17 -0.07 0.56 0.00 0.00 179.97 180.97 2jxt h LEU 39 N 0.79 0.57 -1.21 3.04 3.38 -0.56 -0.47 115.31 120.85 2jxt h LEU 39 Ca 0.20 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.83 2jxt h LEU 39 Cb 0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2jxt h LEU 39 CO -0.02 0.89 0.57 1.88 0.09 0.00 0.00 178.44 181.84 2jxt h TYR 40 N 0.26 0.95 0.07 1.13 0.05 -0.87 0.91 116.97 119.46 2jxt h TYR 40 Ca 0.05 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 2jxt h TYR 40 Cb 0.69 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2jxt h TYR 40 CO 0.07 0.43 -0.03 1.03 -1.05 0.00 0.00 178.16 178.61 2jxt h SER 41 N 0.88 -0.08 0.70 3.88 0.87 -0.91 -1.09 113.55 117.79 2jxt h SER 41 Ca 0.41 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2jxt h SER 41 Cb 0.41 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2jxt h SER 41 CO -0.18 0.41 -0.33 -0.08 -0.53 0.00 0.00 176.83 176.13 2jxt h GLU 42 N -0.60 -0.90 -0.75 2.24 4.81 -0.70 -0.52 114.58 118.16 2jxt h GLU 42 Ca -0.01 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2jxt h GLU 42 Cb 0.51 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 2jxt h GLU 42 CO 0.02 -0.57 0.49 0.74 -0.73 0.00 0.00 179.01 178.96 2jxt h PHE 43 N -1.04 0.84 0.00 0.92 0.04 -0.98 0.19 116.94 116.91 2jxt h PHE 43 Ca -0.10 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2jxt h PHE 43 Cb 0.74 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2jxt h PHE 43 CO -0.01 0.46 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 2jxt n GLY 44 N -1.43 -1.10 0.02 -1.45 0.00 -0.41 0.26 105.19 101.07 2jxt n GLY 44 Ca 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2jxt n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxt n SER 45 N -2.10 0.41 -0.15 1.61 2.88 0.52 -3.38 113.62 113.40 2jxt n SER 45 Ca 0.01 0.16 -0.03 0.00 -1.33 0.00 0.00 58.87 57.68 2jxt n SER 45 Cb 0.16 -0.56 0.17 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.22 0.88 -0.00 -1.46 2.10 -1.23 -3.24 116.57 113.41 2jxt h LYS 46 Ca 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2jxt h LYS 46 Cb 0.18 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2jxt h LYS 46 CO 0.00 0.78 -0.08 0.72 -2.00 0.00 0.00 179.45 178.88 2jxt n HIS 47 N -4.27 0.00 -3.71 0.07 8.25 -0.81 -5.02 115.22 109.74 2jxt n HIS 47 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 2jxt n HIS 47 Cb 0.22 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.62 -6.81 -3.18 -0.41 1.74 0.14 -4.93 116.66 102.59 2jxt n ARG 48 Ca 0.01 0.73 -0.39 0.00 -0.77 0.00 0.00 57.85 57.44 2jxt n ARG 48 Cb 0.05 -5.70 -0.05 0.00 -1.02 0.00 0.00 32.46 25.74 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 -3.34 5.06 0.69 1.55 1.01 -0.32 -4.84 120.40 120.22 2jxt s VAL 49 Ca 0.53 1.21 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 2jxt s VAL 49 Cb -0.25 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2jxt s VAL 49 CO 0.77 0.32 1.06 -2.16 0.00 0.00 0.00 175.10 175.09 2jxt s PRO 50 N 0.48 2.97 0.37 2.72 0.04 -1.26 -3.35 135.00 136.97 2jxt s PRO 50 Ca 0.32 0.84 0.05 0.00 0.04 0.00 0.00 61.00 62.25 2jxt s PRO 50 Cb -0.17 -2.00 0.72 0.00 0.04 0.00 0.00 34.50 33.09 2jxt s PRO 50 CO 0.15 -1.05 1.99 0.07 0.04 0.00 0.00 177.00 178.20 2jxt h ARG 51 N -0.68 0.61 0.00 4.56 0.11 -1.95 -1.52 114.38 115.52 2jxt h ARG 51 Ca -0.44 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2jxt h ARG 51 Cb 1.22 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2jxt h ARG 51 CO 0.59 0.47 0.00 0.45 0.10 0.00 0.00 179.97 181.58 2jxt n SER 52 N -4.40 0.59 -1.02 0.08 2.88 -1.26 -1.26 113.62 109.23 2jxt n SER 52 Ca 0.03 0.74 0.12 0.00 -1.33 0.00 0.00 58.87 58.42 2jxt n SER 52 Cb 0.12 -0.83 0.15 0.00 -0.75 0.00 0.00 64.21 62.89 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 -2.25 2.33 -3.88 -1.46 4.76 -0.57 -4.90 118.16 112.19 2jxt n LYS 53 Ca -0.00 -2.05 -0.35 0.00 -2.87 0.00 0.00 58.31 53.03 2jxt n LYS 53 Cb 0.09 -1.47 -0.14 0.00 -1.84 0.00 0.00 35.03 31.67 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 -1.73 3.58 -0.09 -0.18 1.01 -0.38 -0.51 120.40 122.09 2jxt s VAL 54 Ca 0.32 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2jxt s VAL 54 Cb 0.21 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2jxt s VAL 54 CO 0.30 0.41 -0.19 -0.75 0.00 0.00 0.00 175.10 174.87 2jxt s LYS 55 N 1.49 2.50 -0.24 2.72 2.47 -0.16 -5.01 119.74 123.52 2jxt s LYS 55 Ca 0.06 -0.68 -0.09 0.00 -1.56 0.00 0.00 55.97 53.69 2jxt s LYS 55 Cb -0.14 -1.97 -0.04 0.00 -1.46 0.00 0.00 37.83 34.21 2jxt s LYS 55 CO -0.02 0.08 0.12 0.42 0.16 0.00 0.00 175.35 176.11 2jxt s ILE 56 N 0.58 4.86 -0.14 5.43 1.01 -1.26 -0.14 121.20 131.54 2jxt s ILE 56 Ca -0.15 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 2jxt s ILE 56 Cb -0.17 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2jxt s ILE 56 CO 0.05 0.33 -0.10 -0.33 0.00 0.00 0.00 174.94 174.89 2jxt h GLU 57 N 7.88 0.00 -4.66 2.79 4.39 -0.59 -3.48 114.58 120.91 2jxt h GLU 57 Ca -0.37 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.05 2jxt h GLU 57 Cb 1.18 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.62 2jxt h GLU 57 CO 0.60 0.09 -0.73 -2.00 -1.16 0.00 0.00 179.01 175.81 2jxt s GLU 58 N -2.12 0.60 -0.10 2.33 2.12 0.02 -5.00 118.70 116.56 2jxt s GLU 58 Ca -0.13 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 54.35 2jxt s GLU 58 Cb 0.02 -0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.09 2jxt s GLU 58 CO 0.21 0.06 -0.07 0.42 -0.54 0.00 0.00 175.26 175.34 2jxt s ILE 59 N -1.64 0.90 -0.06 -3.70 1.01 -1.26 -0.30 121.20 116.15 2jxt s ILE 59 Ca -0.06 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2jxt s ILE 59 Cb -0.08 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2jxt s ILE 59 CO 0.00 0.34 -0.10 -0.70 0.00 0.00 0.00 174.94 174.48 2jxt s GLU 60 N 1.56 2.64 -0.36 2.79 2.56 -0.72 -4.96 118.70 122.21 2jxt s GLU 60 Ca 0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 54.97 54.28 2jxt s GLU 60 Cb -0.13 -2.50 0.04 0.00 2.00 0.00 0.00 34.13 33.54 2jxt s GLU 60 CO -0.06 0.65 0.17 -2.00 -0.56 0.00 0.00 175.26 173.46 2jxt s GLU 61 N -0.80 2.69 0.37 4.30 2.12 -1.26 0.32 118.70 126.44 2jxt s GLU 61 Ca 0.12 -1.18 0.08 0.00 0.36 0.00 0.00 54.97 54.35 2jxt s GLU 61 Cb -0.11 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 2jxt s GLU 61 CO 0.01 -0.72 0.12 0.96 -0.54 0.00 0.00 175.26 175.09 2jxt s ILE 62 N 1.47 2.59 0.50 -3.70 -4.36 0.39 -5.00 121.20 113.08 2jxt s ILE 62 Ca 0.00 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.44 2jxt s ILE 62 Cb -0.20 -2.93 -0.08 0.00 1.25 0.00 0.00 42.46 40.49 2jxt s ILE 62 CO 0.04 -0.11 0.98 -0.44 0.24 0.00 0.00 174.94 175.66 2jxt s SER 63 N -3.83 6.66 0.17 4.36 0.01 -1.26 -3.50 113.70 116.31 2jxt s SER 63 Ca 0.38 1.60 -0.15 0.00 1.31 0.00 0.00 55.95 59.09 2jxt s SER 63 Cb 0.01 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.85 2jxt s SER 63 CO 0.22 -0.56 1.70 1.55 0.41 0.00 0.00 173.24 176.56 2jxt h PRO 64 N 1.10 0.14 -0.02 12.44 0.13 -1.95 -1.38 132.00 142.46 2jxt h PRO 64 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jxt h PRO 64 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jxt h PRO 64 CO 0.61 0.09 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 2jxt n GLU 65 N -5.17 1.09 -0.44 0.86 0.28 -1.26 -3.52 120.64 112.48 2jxt n GLU 65 Ca 0.03 -0.14 0.08 0.00 -0.16 0.00 0.00 57.16 56.97 2jxt n GLU 65 Cb 0.21 -1.32 0.26 0.00 1.43 0.00 0.00 31.44 32.02 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 -0.66 2.84 -2.95 3.44 -0.58 -0.52 -5.00 120.64 117.21 2jxt n GLU 66 Ca 0.15 -2.85 -0.40 0.00 -0.42 0.00 0.00 57.16 53.64 2jxt n GLU 66 Cb 0.10 -1.84 -0.04 0.00 -0.57 0.00 0.00 31.44 29.09 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 -2.85 4.98 0.21 2.62 1.01 -1.23 -4.82 120.40 120.32 2jxt s VAL 67 Ca 0.42 1.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 2jxt s VAL 67 Cb 0.34 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2jxt s VAL 67 CO 0.08 0.19 1.54 1.56 0.00 0.00 0.00 175.10 178.48 2jxt h GLN 68 N 6.87 0.52 -6.17 2.72 7.50 -1.95 -3.44 115.11 121.17 2jxt h GLN 68 Ca -0.39 -0.31 -0.56 0.00 0.50 0.00 0.00 58.65 57.88 2jxt h GLN 68 Cb 1.19 0.03 -0.05 0.00 0.05 0.00 0.00 27.48 28.70 2jxt h GLN 68 CO 0.77 0.91 0.54 0.34 -1.50 0.00 0.00 178.83 179.88 2jxt s ASP 69 N -6.90 7.16 0.28 1.46 2.15 -1.26 -4.96 116.67 114.61 2jxt s ASP 69 Ca -0.07 1.43 0.04 0.00 0.43 0.00 0.00 52.55 54.38 2jxt s ASP 69 Cb 0.12 -2.53 0.42 0.00 -0.30 0.00 0.00 42.92 40.63 2jxt s ASP 69 CO 0.83 -0.45 1.70 1.55 -0.17 0.00 0.00 175.17 178.64 2jxt h PRO 70 N 7.17 0.36 0.11 4.34 0.13 -1.99 -2.07 132.00 140.05 2jxt h PRO 70 Ca -0.30 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2jxt h PRO 70 Cb 1.14 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jxt h PRO 70 CO 0.86 0.66 -0.05 0.28 -0.23 0.00 0.00 178.00 179.52 2jxt h VAL 71 N 0.31 1.09 -0.73 1.56 2.07 -1.98 -1.27 116.25 117.30 2jxt h VAL 71 Ca 0.04 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2jxt h VAL 71 Cb 0.76 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2jxt h VAL 71 CO 0.06 0.26 0.45 0.58 0.02 0.00 0.00 177.57 178.95 2jxt h VAL 72 N -0.73 1.20 -0.92 2.57 2.07 -1.89 -1.46 116.25 117.09 2jxt h VAL 72 Ca -0.02 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2jxt h VAL 72 Cb 0.55 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2jxt h VAL 72 CO 0.02 0.20 0.60 0.50 0.02 0.00 0.00 177.57 178.92 2jxt h LYS 73 N 0.99 1.12 -0.19 1.57 3.64 -1.41 -1.06 116.57 121.23 2jxt h LYS 73 Ca 0.26 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2jxt h LYS 73 Cb -0.06 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 2jxt h LYS 73 CO -0.05 0.74 -0.09 0.00 -2.27 0.00 0.00 179.45 177.78 2jxt h ALA 74 N 1.46 1.51 0.00 5.00 0.00 -0.44 0.13 119.26 126.93 2jxt h ALA 74 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jxt h ALA 74 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jxt h ALA 74 CO -0.11 0.35 0.00 1.25 0.00 0.00 0.00 179.25 180.74 2jxt h LEU 75 N 0.28 0.00 0.00 0.00 6.46 -0.19 -2.88 115.31 118.98 2jxt h LEU 75 Ca 0.06 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.47 2jxt h LEU 75 Cb 0.33 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.20 2jxt h LEU 75 CO 0.02 0.00 -2.31 0.52 -0.62 0.00 0.00 178.44 176.05 2jxt n VAL 76 N -2.30 1.31 -0.03 1.05 0.31 -0.57 -4.49 118.33 113.62 2jxt n VAL 76 Ca 0.02 -0.50 0.19 0.00 -0.01 0.00 0.00 64.34 64.04 2jxt n VAL 76 Cb 0.21 -1.33 0.66 0.00 -0.91 0.00 0.00 33.84 32.47 2jxt n VAL 76 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2jxt h GLN 77 N -0.03 0.07 -0.05 5.55 4.20 -0.70 -0.47 115.11 123.68 2jxt h GLN 77 Ca -0.52 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.21 2jxt h GLN 77 Cb 1.78 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.54 2jxt h GLN 77 CO -0.09 0.05 0.06 0.07 -0.67 0.00 0.00 178.83 178.25 2jxt h ARG 78 N 0.08 0.00 -0.01 1.46 0.11 -1.73 -1.70 114.38 112.57 2jxt h ARG 78 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 2jxt h ARG 78 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 2jxt h ARG 78 CO -0.02 0.00 -0.03 1.47 0.10 0.00 0.00 179.97 181.49 2jxt n LEU 79 N -3.95 1.96 -4.71 0.08 -0.00 -0.22 -5.04 117.00 105.12 2jxt n LEU 79 Ca -0.02 -0.97 -0.32 0.00 -0.00 0.00 0.00 56.01 54.70 2jxt n LEU 79 Cb 0.15 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 43.70 2jxt n LEU 79 CO 0.29 0.37 0.72 -0.70 -0.00 0.00 0.00 177.39 178.06 2jxt s GLU 80 N -1.10 1.58 -0.07 1.47 -6.30 -0.64 -5.04 118.70 108.60 2jxt s GLU 80 Ca 0.14 1.53 -0.02 0.00 -2.50 0.00 0.00 54.97 54.12 2jxt s GLU 80 Cb 0.10 -1.79 0.03 0.00 0.00 0.00 0.00 34.13 32.47 2jxt s GLU 80 CO 0.17 -2.21 0.02 -3.38 0.02 0.00 0.00 175.26 169.88 2jxt s HIS 81 N -2.52 0.54 0.01 5.30 -3.43 -1.26 -5.05 115.29 108.87 2jxt s HIS 81 Ca 0.68 -0.10 -0.12 0.00 -0.80 0.00 0.00 55.06 54.72 2jxt s HIS 81 Cb -0.23 -0.74 -0.05 0.00 -1.43 0.00 0.00 32.58 30.13 2jxt s HIS 81 CO 0.54 -0.31 0.35 -1.58 -2.00 0.00 0.00 174.74 171.74 2jxt s HIS 82 N 2.01 3.66 0.85 0.38 2.46 -1.26 -5.09 115.29 118.31 2jxt s HIS 82 Ca 0.05 0.83 -0.11 0.00 0.47 0.00 0.00 55.06 56.30 2jxt s HIS 82 Cb -0.12 -2.18 0.10 0.00 -0.13 0.00 0.00 32.58 30.25 2jxt s HIS 82 CO -0.05 0.62 1.09 -1.01 -2.47 0.00 0.00 174.74 172.92 2jxt s HIS 83 N -1.18 2.48 0.50 3.88 3.76 -1.26 -4.93 115.29 118.54 2jxt s HIS 83 Ca 0.25 1.30 0.21 0.00 -0.15 0.00 0.00 55.06 56.67 2jxt s HIS 83 Cb -0.15 -3.13 1.37 0.00 1.11 0.00 0.00 32.58 31.79 2jxt s HIS 83 CO 0.14 -2.14 2.12 1.25 -0.85 0.00 0.00 174.74 175.25 2jxt h HIS 84 N -1.37 0.00 -4.06 1.40 2.76 -2.09 -3.41 115.15 108.38 2jxt h HIS 84 Ca -0.48 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.16 2jxt h HIS 84 Cb 1.27 0.00 0.11 0.00 1.55 0.00 0.00 27.41 30.34 2jxt h HIS 84 CO 0.47 0.08 0.52 -1.58 -1.30 0.00 0.00 177.93 176.12 2jxt s HIS 85 N -4.65 2.45 -2.00 5.26 5.65 -1.26 -5.37 115.29 115.36 2jxt s HIS 85 Ca -0.04 1.47 0.23 0.00 0.25 0.00 0.00 55.06 56.97 2jxt s HIS 85 Cb 0.15 -3.58 1.40 0.00 -1.18 0.00 0.00 32.58 29.37 2jxt s HIS 85 CO 0.63 -2.33 1.76 0.72 -0.65 0.00 0.00 174.74 174.88