#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxt n LYS 2 N 0.00 0.00 -1.69 3.17 4.81 -1.26 -4.85 118.16 118.34 2jxt n LYS 2 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 2jxt n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2jxt n LYS 2 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2jxt n MET 3 N 0.00 2.35 -1.66 1.64 1.56 -1.26 -4.97 117.12 114.78 2jxt n MET 3 Ca 0.00 0.84 -0.31 0.00 -0.27 0.00 0.00 57.70 57.97 2jxt n MET 3 Cb 0.00 -2.62 0.04 0.00 2.15 0.00 0.00 33.22 32.79 2jxt n MET 3 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2jxt s LYS 4 N 0.63 3.02 0.31 2.12 3.01 -1.26 -5.01 119.74 122.56 2jxt s LYS 4 Ca 0.75 0.85 -0.29 0.00 -1.01 0.00 0.00 55.97 56.27 2jxt s LYS 4 Cb -0.61 -2.01 -0.10 0.00 -1.01 0.00 0.00 37.83 34.10 2jxt s LYS 4 CO 0.39 -1.01 1.24 -0.08 0.51 0.00 0.00 175.35 176.40 2jxt s THR 5 N -3.10 3.00 0.13 2.17 -1.32 -1.26 -4.97 115.64 110.29 2jxt s THR 5 Ca 0.58 1.00 -0.16 0.00 -1.21 0.00 0.00 61.69 61.89 2jxt s THR 5 Cb -0.13 -3.63 -0.07 0.00 -1.51 0.00 0.00 72.50 67.16 2jxt s THR 5 CO 0.55 0.23 0.56 -0.54 -2.21 0.00 0.00 174.62 173.21 2jxt s LYS 6 N -1.56 4.04 -0.19 7.08 1.02 -0.43 -4.81 119.74 124.89 2jxt s LYS 6 Ca 0.48 0.56 -0.09 0.00 0.02 0.00 0.00 55.97 56.94 2jxt s LYS 6 Cb -0.37 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 2jxt s LYS 6 CO 0.48 0.51 0.13 0.42 -0.92 0.00 0.00 175.35 175.97 2jxt s ILE 7 N -1.38 5.37 -0.12 2.17 1.09 -1.13 -0.01 121.20 127.18 2jxt s ILE 7 Ca 0.36 0.17 -0.00 0.00 -1.10 0.00 0.00 60.65 60.08 2jxt s ILE 7 Cb -0.16 -3.44 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 2jxt s ILE 7 CO 0.19 0.46 -0.12 -0.36 -0.10 0.00 0.00 174.94 175.01 2jxt s PHE 8 N 0.22 2.83 -0.72 3.97 0.08 0.62 0.03 117.98 125.02 2jxt s PHE 8 Ca 0.08 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.41 2jxt s PHE 8 Cb -0.11 -1.84 0.16 0.00 -0.57 0.00 0.00 43.02 40.66 2jxt s PHE 8 CO -0.01 -0.15 0.74 0.50 -0.10 0.00 0.00 175.22 176.20 2jxt s ARG 9 N 0.24 3.32 -0.25 0.44 3.52 0.57 -0.89 118.95 125.90 2jxt s ARG 9 Ca -0.08 -1.89 -0.22 0.00 -0.13 0.00 0.00 55.73 53.41 2jxt s ARG 9 Cb -0.15 -4.43 -0.01 0.00 -1.56 0.00 0.00 34.95 28.80 2jxt s ARG 9 CO 0.05 -1.44 0.70 0.08 -0.81 0.00 0.00 175.30 173.88 2jxt s VAL 10 N 1.53 4.93 -0.17 7.11 1.01 0.81 -1.71 120.40 133.90 2jxt s VAL 10 Ca 0.15 1.27 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 2jxt s VAL 10 Cb -0.17 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2jxt s VAL 10 CO -0.02 -0.02 0.10 -0.75 0.00 0.00 0.00 175.10 174.40 2jxt s LYS 11 N 2.64 3.90 0.00 2.72 2.47 0.73 -0.27 119.74 131.93 2jxt s LYS 11 Ca 0.29 -0.25 0.00 0.00 -1.56 0.00 0.00 55.97 54.45 2jxt s LYS 11 Cb -0.15 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 2jxt s LYS 11 CO 0.08 0.41 0.00 0.41 0.16 0.00 0.00 175.35 176.41 2jxt n GLY 12 N 3.14 1.38 3.13 5.54 0.00 -0.81 -0.15 105.19 117.42 2jxt n GLY 12 Ca -0.17 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 0.86 0.03 1.61 1.02 0.43 0.28 119.74 121.97 2jxt s LYS 13 Ca 0.00 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.28 2jxt s LYS 13 Cb 0.00 -0.85 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 2jxt s LYS 13 CO 0.00 0.21 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.90 2jxt s PHE 14 N -0.92 1.28 -0.52 3.18 -0.71 -0.59 -0.39 117.98 119.32 2jxt s PHE 14 Ca 0.00 -0.33 -0.28 0.00 -1.04 0.00 0.00 56.93 55.28 2jxt s PHE 14 Cb -0.08 -0.77 0.01 0.00 -1.21 0.00 0.00 43.02 40.97 2jxt s PHE 14 CO 0.01 0.03 1.41 -1.17 -1.34 0.00 0.00 175.22 174.16 2jxt s LEU 15 N -0.96 3.46 -0.06 -1.99 1.98 -0.53 -2.11 118.68 118.48 2jxt s LEU 15 Ca 0.03 0.45 0.01 0.00 -2.89 0.00 0.00 54.13 51.73 2jxt s LEU 15 Cb -0.07 -3.21 0.02 0.00 0.66 0.00 0.00 46.19 43.59 2jxt s LEU 15 CO 0.01 -1.62 -0.05 -0.32 -1.89 0.00 0.00 176.35 172.48 2jxt s MET 16 N 5.32 0.91 -1.23 1.98 1.75 0.30 -4.80 119.30 123.53 2jxt s MET 16 Ca 0.55 -0.11 -0.03 0.00 -1.25 0.00 0.00 55.69 54.86 2jxt s MET 16 Cb -0.11 -0.96 0.00 0.00 2.84 0.00 0.00 34.83 36.60 2jxt s MET 16 CO 0.27 -0.12 0.36 0.41 -0.65 0.00 0.00 175.02 175.30 2jxt n GLY 17 N 4.27 -0.25 2.80 2.11 0.00 -1.26 -1.64 105.19 111.22 2jxt n GLY 17 Ca -0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.40 -5.65 -4.35 1.61 9.92 -1.26 -4.97 116.55 110.45 2jxt n ASP 18 Ca -0.11 0.19 -0.25 0.00 -0.53 0.00 0.00 54.79 54.09 2jxt n ASP 18 Cb 0.60 -3.82 -0.12 0.00 -0.64 0.00 0.00 41.12 37.15 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 -2.57 1.30 -0.46 -1.24 1.02 -0.65 -5.11 119.74 112.04 2jxt s LYS 19 Ca 0.00 -1.34 -0.18 0.00 0.02 0.00 0.00 55.97 54.47 2jxt s LYS 19 Cb 0.00 -1.58 0.04 0.00 -0.52 0.00 0.00 37.83 35.77 2jxt s LYS 19 CO 0.00 0.35 0.52 -0.51 -0.92 0.00 0.00 175.35 174.79 2jxt s LEU 20 N -2.30 4.93 -0.21 3.17 1.43 -1.26 -0.54 118.68 123.91 2jxt s LEU 20 Ca 0.13 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 2jxt s LEU 20 Cb -0.08 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2jxt s LEU 20 CO 0.06 -0.72 0.21 -1.10 0.23 0.00 0.00 176.35 175.03 2jxt s GLN 21 N 2.33 4.16 -0.21 1.70 1.11 -0.90 -4.87 119.66 122.99 2jxt s GLN 21 Ca 0.14 -0.12 -0.29 0.00 0.01 0.00 0.00 55.36 55.09 2jxt s GLN 21 Cb -0.18 -3.48 0.00 0.00 -1.01 0.00 0.00 33.01 28.35 2jxt s GLN 21 CO 0.13 0.17 1.10 -1.25 0.01 0.00 0.00 175.29 175.45 2jxt s PRO 22 N 0.73 4.25 0.36 2.91 0.04 -1.26 -1.54 135.00 140.49 2jxt s PRO 22 Ca 0.11 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.67 2jxt s PRO 22 Cb -0.13 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 2jxt s PRO 22 CO 0.02 -0.65 0.35 -0.59 0.04 0.00 0.00 177.00 176.17 2jxt s PHE 23 N 3.28 2.88 -0.30 0.56 -0.12 0.14 -4.95 117.98 119.46 2jxt s PHE 23 Ca 0.47 -0.34 -0.02 0.00 -0.05 0.00 0.00 56.93 56.99 2jxt s PHE 23 Cb -0.17 -1.94 0.12 0.00 -0.63 0.00 0.00 43.02 40.40 2jxt s PHE 23 CO 0.09 0.06 0.19 0.99 -0.05 0.00 0.00 175.22 176.49 2jxt s THR 24 N -2.33 -0.14 -0.24 -4.49 2.01 -1.26 -1.93 115.64 107.27 2jxt s THR 24 Ca 0.44 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 2jxt s THR 24 Cb -0.06 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 2jxt s THR 24 CO 0.28 -0.69 0.01 -0.54 -0.69 0.00 0.00 174.62 172.99 2jxt s LYS 25 N 1.99 3.46 -0.20 4.92 -0.14 0.62 -4.89 119.74 125.50 2jxt s LYS 25 Ca 0.11 -0.59 -0.18 0.00 -1.36 0.00 0.00 55.97 53.95 2jxt s LYS 25 Cb -0.16 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 2jxt s LYS 25 CO -0.29 -0.22 0.51 -1.21 -0.76 0.00 0.00 175.35 173.38 2jxt s GLU 26 N 1.53 4.18 -0.02 1.68 2.02 -1.26 -0.13 118.70 126.71 2jxt s GLU 26 Ca 0.06 0.40 -0.14 0.00 0.02 0.00 0.00 54.97 55.30 2jxt s GLU 26 Cb -0.15 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.54 2jxt s GLU 26 CO -0.00 -0.16 0.30 -0.48 0.02 0.00 0.00 175.26 174.94 2jxt s LEU 27 N 1.66 0.91 0.29 1.80 2.34 -0.07 -4.81 118.68 120.80 2jxt s LEU 27 Ca 0.24 0.10 -0.15 0.00 0.06 0.00 0.00 54.13 54.37 2jxt s LEU 27 Cb -0.15 1.20 -0.09 0.00 -0.56 0.00 0.00 46.19 46.60 2jxt s LEU 27 CO 0.09 -0.42 0.70 0.54 -1.06 0.00 0.00 176.35 176.21 2jxt s ASN 28 N -1.24 6.79 -0.04 1.48 4.22 -1.26 -0.27 114.94 124.62 2jxt s ASN 28 Ca -0.13 1.24 -0.30 0.00 -2.14 0.00 0.00 52.86 51.53 2jxt s ASN 28 Cb -0.05 -2.36 0.07 0.00 1.28 0.00 0.00 41.25 40.19 2jxt s ASN 28 CO 0.04 -0.15 0.67 0.00 -2.04 0.00 0.00 177.10 175.62 2jxt s ALA 29 N -1.89 -1.74 0.29 3.54 0.00 0.99 -4.89 121.76 118.06 2jxt s ALA 29 Ca 0.51 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.74 2jxt s ALA 29 Cb -0.11 0.06 0.45 0.00 0.00 0.00 0.00 23.12 23.51 2jxt s ALA 29 CO 0.18 -0.39 1.77 0.82 0.00 0.00 0.00 175.76 178.14 2jxt h ILE 30 N 2.96 1.24 -3.32 0.00 5.03 -1.91 -1.12 117.51 120.39 2jxt h ILE 30 Ca -0.27 -1.08 0.00 0.00 -0.12 0.00 0.00 64.86 63.39 2jxt h ILE 30 Cb 1.15 1.15 -0.08 0.00 -3.03 0.00 0.00 36.82 36.01 2jxt h ILE 30 CO 0.39 0.35 0.05 0.00 -0.68 0.00 0.00 178.15 178.27 2jxt s ARG 31 N -4.72 1.62 0.38 2.37 1.70 -1.26 -4.73 118.95 114.31 2jxt s ARG 31 Ca -0.08 -1.08 0.08 0.00 -0.47 0.00 0.00 55.73 54.19 2jxt s ARG 31 Cb 0.14 0.54 0.82 0.00 -0.57 0.00 0.00 34.95 35.88 2jxt s ARG 31 CO 0.79 -0.71 1.96 0.93 -1.08 0.00 0.00 175.30 177.19 2jxt h GLU 32 N 2.14 0.64 0.00 3.89 3.07 -1.99 -0.29 114.58 122.04 2jxt h GLU 32 Ca -0.24 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2jxt h GLU 32 Cb 1.25 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2jxt h GLU 32 CO 0.30 0.42 0.00 0.93 -1.40 0.00 0.00 179.01 179.27 2jxt h GLU 33 N 0.66 0.00 -0.01 2.33 4.39 -2.00 -2.17 114.58 117.78 2jxt h GLU 33 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2jxt h GLU 33 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2jxt h GLU 33 CO -0.10 0.00 -0.06 0.39 -1.16 0.00 0.00 179.01 178.08 2jxt n GLU 34 N -2.94 1.24 -0.04 2.33 -0.58 -0.12 -4.19 120.64 116.33 2jxt n GLU 34 Ca -0.01 -0.59 -0.06 0.00 -0.42 0.00 0.00 57.16 56.09 2jxt n GLU 34 Cb 0.18 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 2jxt n GLU 34 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2jxt h ILE 35 N 1.43 0.68 -0.35 -3.67 2.04 -1.47 -3.38 117.51 112.79 2jxt h ILE 35 Ca 0.00 -1.46 0.08 0.00 1.00 0.00 0.00 64.86 64.48 2jxt h ILE 35 Cb 0.39 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 2jxt h ILE 35 CO 0.00 0.22 -0.26 1.88 0.00 0.00 0.00 178.15 179.99 2jxt h TYR 36 N -0.99 -0.70 -0.71 1.37 -1.99 -1.73 -1.19 116.97 111.04 2jxt h TYR 36 Ca -0.00 0.05 0.13 0.00 2.00 0.00 0.00 58.73 60.90 2jxt h TYR 36 Cb 0.39 0.36 -0.09 0.00 2.00 0.00 0.00 36.73 39.39 2jxt h TYR 36 CO 0.10 -0.33 0.26 0.93 -0.00 0.00 0.00 178.16 179.12 2jxt h GLU 37 N -0.21 0.40 -0.52 4.88 4.39 -1.80 -0.97 114.58 120.74 2jxt h GLU 37 Ca 0.17 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.76 2jxt h GLU 37 Cb 0.49 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2jxt h GLU 37 CO -0.48 0.26 -0.04 0.00 -1.16 0.00 0.00 179.01 177.60 2jxt h ARG 38 N 0.41 0.90 -0.30 2.33 2.47 -1.40 -1.17 114.38 117.61 2jxt h ARG 38 Ca 0.38 -0.28 -0.10 0.00 -1.26 0.00 0.00 59.98 58.72 2jxt h ARG 38 Cb 0.55 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2jxt h ARG 38 CO -0.39 0.92 -0.20 -0.07 0.56 0.00 0.00 179.97 180.79 2jxt h LEU 39 N 0.82 0.69 -2.17 3.04 3.38 -1.00 -1.57 115.31 118.52 2jxt h LEU 39 Ca 0.15 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2jxt h LEU 39 Cb 0.55 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jxt h LEU 39 CO 0.03 0.98 -0.03 1.88 0.09 0.00 0.00 178.44 181.39 2jxt h TYR 40 N 0.42 0.00 0.44 1.13 0.05 -0.98 0.15 116.97 118.18 2jxt h TYR 40 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2jxt h TYR 40 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 2jxt h TYR 40 CO 0.07 0.03 -0.21 1.03 -1.05 0.00 0.00 178.16 178.02 2jxt h SER 41 N 0.00 -0.50 0.48 3.88 0.87 -0.95 -2.38 113.55 114.95 2jxt h SER 41 Ca -0.00 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2jxt h SER 41 Cb 0.06 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jxt h SER 41 CO 0.00 -0.07 -0.38 -0.08 -0.53 0.00 0.00 176.83 175.78 2jxt h GLU 42 N -1.07 -0.81 -0.87 2.24 4.81 -0.82 -0.96 114.58 117.09 2jxt h GLU 42 Ca -0.06 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2jxt h GLU 42 Cb 0.53 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 2jxt h GLU 42 CO 0.10 -0.54 0.56 0.74 -0.73 0.00 0.00 179.01 179.14 2jxt h PHE 43 N -0.84 0.93 0.00 0.92 0.04 -1.15 0.17 116.94 117.01 2jxt h PHE 43 Ca -0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2jxt h PHE 43 Cb 0.72 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 2jxt h PHE 43 CO -0.16 0.44 -0.03 0.78 -0.60 0.00 0.00 178.31 178.74 2jxt h GLY 44 N 0.87 0.00 0.00 -1.45 0.00 -0.90 0.25 103.07 101.84 2jxt h GLY 44 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2jxt h GLY 44 CO -0.16 0.00 -0.38 -1.26 0.00 0.00 0.00 176.54 174.73 2jxt n SER 45 N -3.18 1.32 -0.02 0.19 2.88 0.40 -3.11 113.62 112.09 2jxt n SER 45 Ca -0.01 0.52 -0.05 0.00 -1.33 0.00 0.00 58.87 58.00 2jxt n SER 45 Cb 0.22 -0.77 0.16 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.73 0.59 0.00 -1.46 2.10 -1.07 -3.31 116.57 112.69 2jxt h LYS 46 Ca 0.00 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2jxt h LYS 46 Cb 0.38 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2jxt h LYS 46 CO 0.00 0.78 0.00 0.72 -2.00 0.00 0.00 179.45 178.95 2jxt n HIS 47 N -4.12 0.00 -1.91 0.07 8.25 -0.82 -5.01 115.22 111.68 2jxt n HIS 47 Ca -0.00 -0.15 -0.16 0.00 -0.26 0.00 0.00 57.72 57.15 2jxt n HIS 47 Cb 0.41 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.15 -1.64 -2.74 -0.41 1.74 0.73 -4.93 116.66 109.27 2jxt n ARG 48 Ca 0.00 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 2jxt n ARG 48 Cb 0.29 -5.34 -0.03 0.00 -1.02 0.00 0.00 32.46 26.36 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 -2.59 4.78 0.63 1.55 1.01 -0.34 -4.78 120.40 120.66 2jxt s VAL 49 Ca 0.00 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 63.81 2jxt s VAL 49 Cb 0.00 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 2jxt s VAL 49 CO 0.00 -0.04 0.99 -2.16 0.00 0.00 0.00 175.10 173.88 2jxt s PRO 50 N 2.41 3.09 0.60 2.72 0.04 -1.26 -3.24 135.00 139.36 2jxt s PRO 50 Ca 0.44 0.34 0.40 0.00 0.04 0.00 0.00 61.00 62.22 2jxt s PRO 50 Cb -0.17 -2.15 2.06 0.00 0.04 0.00 0.00 34.50 34.28 2jxt s PRO 50 CO 0.13 -0.75 2.21 0.07 0.04 0.00 0.00 177.00 178.70 2jxt h ARG 51 N -0.34 0.00 0.00 4.56 0.11 -1.90 0.30 114.38 117.10 2jxt h ARG 51 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 2jxt h ARG 51 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 2jxt h ARG 51 CO 0.62 0.00 -0.06 1.03 0.10 0.00 0.00 179.97 181.66 2jxt h SER 52 N 0.00 0.00 0.00 0.08 0.87 -2.03 -3.15 113.55 109.33 2jxt h SER 52 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2jxt h SER 52 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2jxt h SER 52 CO 0.00 0.06 -1.83 0.29 -0.53 0.00 0.00 176.83 174.82 2jxt n LYS 53 N -4.21 0.78 -2.86 2.24 4.76 0.03 -4.96 118.16 113.93 2jxt n LYS 53 Ca -0.03 -0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 54.90 2jxt n LYS 53 Cb 0.14 -1.39 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.92 4.35 -0.20 -0.18 1.01 -0.78 -1.46 120.40 120.22 2jxt s VAL 54 Ca -0.06 1.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 2jxt s VAL 54 Cb 0.09 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.31 2jxt s VAL 54 CO 0.67 0.45 0.12 -0.75 0.00 0.00 0.00 175.10 175.59 2jxt s LYS 55 N -0.77 0.11 0.27 2.72 2.20 0.48 -4.85 119.74 119.89 2jxt s LYS 55 Ca 0.40 -0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.62 2jxt s LYS 55 Cb -0.24 -1.61 -0.09 0.00 -1.51 0.00 0.00 37.83 34.38 2jxt s LYS 55 CO 0.28 -0.73 0.94 0.42 -0.36 0.00 0.00 175.35 175.90 2jxt s ILE 56 N 2.17 4.14 0.00 5.43 1.01 -1.26 -0.43 121.20 132.26 2jxt s ILE 56 Ca 0.04 1.96 0.00 0.00 0.00 0.00 0.00 60.65 62.65 2jxt s ILE 56 Cb -0.16 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2jxt s ILE 56 CO -0.14 0.35 0.00 -0.62 0.00 0.00 0.00 174.94 174.53 2jxt n GLU 57 N 1.09 0.00 -4.25 2.79 1.02 0.79 -4.92 120.64 117.16 2jxt n GLU 57 Ca -0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 2jxt n GLU 57 Cb 0.48 -0.27 -0.13 0.00 -0.02 0.00 0.00 31.44 31.50 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 -0.88 0.82 -0.24 3.49 2.12 -0.63 -5.00 118.70 118.39 2jxt s GLU 58 Ca 0.00 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 2jxt s GLU 58 Cb 0.00 -0.80 0.08 0.00 0.26 0.00 0.00 34.13 33.66 2jxt s GLU 58 CO 0.00 0.19 0.06 0.42 -0.54 0.00 0.00 175.26 175.39 2jxt s ILE 59 N -1.00 0.65 0.35 -3.70 1.01 -1.26 -0.19 121.20 117.05 2jxt s ILE 59 Ca -0.01 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 2jxt s ILE 59 Cb -0.08 -1.27 -0.09 0.00 0.01 0.00 0.00 42.46 41.02 2jxt s ILE 59 CO 0.01 -0.39 1.04 -1.61 0.00 0.00 0.00 174.94 173.99 2jxt s GLU 60 N 1.78 4.39 -0.50 2.79 8.01 -0.70 -4.86 118.70 129.61 2jxt s GLU 60 Ca 0.03 1.55 -0.06 0.00 0.01 0.00 0.00 54.97 56.49 2jxt s GLU 60 Cb -0.17 -2.79 0.13 0.00 -4.31 0.00 0.00 34.13 26.99 2jxt s GLU 60 CO -0.15 0.06 0.34 -2.00 0.01 0.00 0.00 175.26 173.51 2jxt s GLU 61 N -2.09 2.40 0.44 1.61 2.12 -1.26 -0.31 118.70 121.61 2jxt s GLU 61 Ca 0.52 -1.96 0.07 0.00 0.36 0.00 0.00 54.97 53.97 2jxt s GLU 61 Cb -0.24 -3.81 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 2jxt s GLU 61 CO 0.30 -1.16 0.36 0.96 -0.54 0.00 0.00 175.26 175.19 2jxt s ILE 62 N 0.97 2.41 0.48 -3.70 -4.36 0.10 -4.97 121.20 112.14 2jxt s ILE 62 Ca 0.09 -1.42 -0.07 0.00 -0.26 0.00 0.00 60.65 59.00 2jxt s ILE 62 Cb -0.23 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 2jxt s ILE 62 CO -0.03 0.00 0.81 -0.44 0.24 0.00 0.00 174.94 175.52 2jxt s SER 63 N -4.13 6.30 0.57 4.36 0.01 -1.26 -2.86 113.70 116.69 2jxt s SER 63 Ca 0.45 1.01 0.27 0.00 1.31 0.00 0.00 55.95 58.99 2jxt s SER 63 Cb -0.02 -2.28 1.59 0.00 0.21 0.00 0.00 66.02 65.52 2jxt s SER 63 CO 0.26 -0.58 2.09 1.55 0.41 0.00 0.00 173.24 176.97 2jxt h PRO 64 N 0.33 0.00 -0.00 12.44 0.13 -1.94 -0.32 132.00 142.64 2jxt h PRO 64 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jxt h PRO 64 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jxt h PRO 64 CO 0.62 0.00 -0.26 -0.85 -0.23 0.00 0.00 178.00 177.28 2jxt n GLU 65 N -3.95 0.31 0.00 0.86 0.28 -1.26 -3.55 120.64 113.33 2jxt n GLU 65 Ca 0.02 -0.14 0.11 0.00 -0.16 0.00 0.00 57.16 57.00 2jxt n GLU 65 Cb 0.34 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.22 0.77 -2.25 3.44 1.02 -0.13 -4.95 120.64 117.31 2jxt n GLU 66 Ca 0.09 -0.58 -0.42 0.00 -0.02 0.00 0.00 57.16 56.23 2jxt n GLU 66 Cb 0.32 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.63 3.48 -0.01 2.62 1.01 -1.21 -4.93 120.40 118.72 2jxt s VAL 67 Ca 0.17 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.25 2jxt s VAL 67 Cb 0.18 -3.70 -0.26 0.00 0.00 0.00 0.00 36.38 32.60 2jxt s VAL 67 CO 0.63 0.10 0.79 1.56 0.00 0.00 0.00 175.10 178.18 2jxt h GLN 68 N 6.50 0.18 -6.36 2.72 1.08 -1.93 -3.46 115.11 113.83 2jxt h GLN 68 Ca -0.42 -0.30 -0.54 0.00 -1.45 0.00 0.00 58.65 55.94 2jxt h GLN 68 Cb 1.21 0.11 0.01 0.00 -0.05 0.00 0.00 27.48 28.76 2jxt h GLN 68 CO 0.83 0.98 1.08 0.34 -0.95 0.00 0.00 178.83 181.12 2jxt s ASP 69 N -6.77 6.59 0.23 1.46 -1.08 -1.26 -4.92 116.67 110.91 2jxt s ASP 69 Ca -0.09 2.44 -0.03 0.00 -0.52 0.00 0.00 52.55 54.35 2jxt s ASP 69 Cb 0.07 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 39.22 2jxt s ASP 69 CO 0.83 -0.94 1.65 1.55 0.52 0.00 0.00 175.17 178.78 2jxt h PRO 70 N 9.26 0.71 0.21 4.34 0.13 -1.99 -2.09 132.00 142.57 2jxt h PRO 70 Ca -0.43 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2jxt h PRO 70 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jxt h PRO 70 CO 0.94 0.87 -0.10 0.28 -0.23 0.00 0.00 178.00 179.76 2jxt h VAL 71 N 0.62 0.87 -0.38 1.56 2.07 -1.98 -0.88 116.25 118.13 2jxt h VAL 71 Ca 0.09 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 2jxt h VAL 71 Cb 0.72 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2jxt h VAL 71 CO 0.06 0.14 -0.06 0.58 0.02 0.00 0.00 177.57 178.31 2jxt h VAL 72 N -0.60 1.27 -0.47 2.57 2.07 -1.88 -1.04 116.25 118.18 2jxt h VAL 72 Ca -0.03 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.44 2jxt h VAL 72 Cb 0.44 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2jxt h VAL 72 CO 0.05 0.37 0.18 0.50 0.02 0.00 0.00 177.57 178.69 2jxt h LYS 73 N 0.52 0.36 -0.26 1.57 3.64 -1.39 -1.46 116.57 119.54 2jxt h LYS 73 Ca 0.10 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2jxt h LYS 73 Cb 0.55 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2jxt h LYS 73 CO 0.03 0.24 -0.16 0.00 -2.27 0.00 0.00 179.45 177.29 2jxt h ALA 74 N 1.29 1.25 -0.44 5.00 0.00 -1.08 0.36 119.26 125.64 2jxt h ALA 74 Ca 0.22 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jxt h ALA 74 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jxt h ALA 74 CO -0.20 0.49 0.30 1.25 0.00 0.00 0.00 179.25 181.08 2jxt h LEU 75 N 0.41 0.47 0.05 0.00 6.46 -0.12 -0.46 115.31 122.12 2jxt h LEU 75 Ca 0.07 -0.01 -0.36 0.00 -0.12 0.00 0.00 57.88 57.47 2jxt h LEU 75 Cb 0.52 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 2jxt h LEU 75 CO 0.03 0.34 -2.02 0.52 -0.62 0.00 0.00 178.44 176.69 2jxt n VAL 76 N -4.47 1.63 0.30 1.05 0.31 -0.96 -4.32 118.33 111.87 2jxt n VAL 76 Ca 0.04 -0.46 0.18 0.00 -0.01 0.00 0.00 64.34 64.09 2jxt n VAL 76 Cb 0.09 -1.75 0.94 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.33 0.00 -0.80 5.55 4.20 -0.84 -2.28 115.11 120.60 2jxt h GLN 77 Ca -0.48 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 2jxt h GLN 77 Cb 1.78 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.53 2jxt h GLN 77 CO -0.09 0.04 0.41 0.07 -0.67 0.00 0.00 178.83 178.59 2jxt h ARG 78 N 0.00 1.12 0.00 1.46 0.11 -1.27 0.16 114.38 115.97 2jxt h ARG 78 Ca -0.00 -0.14 -0.26 0.00 0.10 0.00 0.00 59.98 59.68 2jxt h ARG 78 Cb 0.19 -0.21 -0.04 0.00 1.11 0.00 0.00 29.97 31.01 2jxt h ARG 78 CO 0.00 0.84 -1.53 1.37 0.10 0.00 0.00 179.97 180.75 2jxt h LEU 79 N 1.12 0.00 0.17 0.08 8.10 -1.66 -3.32 115.31 119.81 2jxt h LEU 79 Ca 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.26 2jxt h LEU 79 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 2jxt h LEU 79 CO -0.04 0.93 -0.08 -0.33 -4.11 0.00 0.00 178.44 174.81 2jxt h GLU 80 N 0.00 -0.22 -2.58 0.17 4.39 -1.39 -3.20 114.58 111.76 2jxt h GLU 80 Ca -0.22 0.02 -0.54 0.00 0.34 0.00 0.00 59.36 58.95 2jxt h GLU 80 Cb 1.90 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.56 2jxt h GLU 80 CO 0.08 0.07 2.17 0.72 -1.16 0.00 0.00 179.01 180.89 2jxt n HIS 81 N -5.06 1.74 -2.24 4.33 8.25 0.56 -4.94 115.22 117.86 2jxt n HIS 81 Ca -0.09 -2.52 -0.43 0.00 -0.26 0.00 0.00 57.72 54.42 2jxt n HIS 81 Cb 0.21 -2.04 -0.02 0.00 1.12 0.00 0.00 29.99 29.25 2jxt n HIS 81 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jxt s HIS 82 N 0.91 2.17 0.52 4.41 -3.43 -1.21 -4.86 115.29 113.80 2jxt s HIS 82 Ca 0.65 0.64 0.01 0.00 -0.80 0.00 0.00 55.06 55.57 2jxt s HIS 82 Cb 0.24 -4.26 -0.00 0.00 -1.43 0.00 0.00 32.58 27.13 2jxt s HIS 82 CO -0.07 -2.28 0.07 -1.01 -2.00 0.00 0.00 174.74 169.45 2jxt s HIS 83 N 6.15 1.78 0.27 0.38 3.76 -1.26 -5.13 115.29 121.24 2jxt s HIS 83 Ca 0.66 -0.95 0.10 0.00 -0.15 0.00 0.00 55.06 54.71 2jxt s HIS 83 Cb -0.16 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 2jxt s HIS 83 CO 0.31 0.10 -0.14 -1.01 -0.85 0.00 0.00 174.74 173.15 2jxt s HIS 84 N -2.87 2.09 0.10 1.40 3.76 -1.26 -5.13 115.29 113.37 2jxt s HIS 84 Ca 0.09 -0.49 -0.30 0.00 -0.15 0.00 0.00 55.06 54.21 2jxt s HIS 84 Cb 0.00 -1.02 -0.05 0.00 1.11 0.00 0.00 32.58 32.62 2jxt s HIS 84 CO 0.05 0.52 0.95 -1.58 -0.85 0.00 0.00 174.74 173.83 2jxt s HIS 85 N -2.74 3.79 -1.94 1.40 2.46 -1.26 -5.34 115.29 111.66 2jxt s HIS 85 Ca 0.28 1.77 0.16 0.00 0.47 0.00 0.00 55.06 57.73 2jxt s HIS 85 Cb -0.01 -3.04 0.12 0.00 -0.13 0.00 0.00 32.58 29.52 2jxt s HIS 85 CO 0.12 0.19 0.99 0.72 -2.47 0.00 0.00 174.74 174.30