#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 4.42 -0.07 0.03 3.01 -1.26 -5.05 119.74 120.83 2jxt s LYS 2 Ca 0.00 0.97 -0.23 0.00 -1.01 0.00 0.00 55.97 55.70 2jxt s LYS 2 Cb 0.00 -3.48 0.05 0.00 -1.01 0.00 0.00 37.83 33.40 2jxt s LYS 2 CO 0.00 -0.03 0.53 1.41 0.51 0.00 0.00 175.35 177.77 2jxt s MET 3 N 1.10 0.85 0.09 1.68 1.75 -1.26 -5.13 119.30 118.37 2jxt s MET 3 Ca 0.39 0.21 -0.31 0.00 -1.25 0.00 0.00 55.69 54.74 2jxt s MET 3 Cb -0.18 0.40 -0.10 0.00 2.84 0.00 0.00 34.83 37.79 2jxt s MET 3 CO 0.18 -0.23 1.88 0.21 -0.65 0.00 0.00 175.02 176.41 2jxt s LYS 4 N -0.95 4.14 0.15 4.11 2.20 -1.26 -4.97 119.74 123.16 2jxt s LYS 4 Ca -0.10 2.59 -0.30 0.00 -0.36 0.00 0.00 55.97 57.80 2jxt s LYS 4 Cb -0.03 -3.83 -0.07 0.00 -1.51 0.00 0.00 37.83 32.40 2jxt s LYS 4 CO 0.06 -0.89 1.15 -0.08 -0.36 0.00 0.00 175.35 175.23 2jxt s THR 5 N 3.44 3.83 0.11 3.43 -1.32 -1.26 -4.98 115.64 118.89 2jxt s THR 5 Ca 0.84 1.51 0.02 0.00 -1.21 0.00 0.00 61.69 62.84 2jxt s THR 5 Cb -0.44 -3.96 -0.04 0.00 -1.51 0.00 0.00 72.50 66.55 2jxt s THR 5 CO 0.38 0.22 0.22 -0.54 -2.21 0.00 0.00 174.62 172.70 2jxt s LYS 6 N -0.02 3.34 -0.16 7.08 3.01 -0.56 -4.87 119.74 127.56 2jxt s LYS 6 Ca 0.52 -0.57 -0.12 0.00 -1.01 0.00 0.00 55.97 54.79 2jxt s LYS 6 Cb -0.30 -2.94 -0.05 0.00 -1.01 0.00 0.00 37.83 33.53 2jxt s LYS 6 CO 0.34 0.56 0.24 0.42 0.51 0.00 0.00 175.35 177.42 2jxt s ILE 7 N -1.62 5.34 -0.14 2.17 1.09 -1.17 -0.71 121.20 126.16 2jxt s ILE 7 Ca 0.34 0.44 0.01 0.00 -1.10 0.00 0.00 60.65 60.33 2jxt s ILE 7 Cb -0.12 -3.57 -0.01 0.00 -1.06 0.00 0.00 42.46 37.71 2jxt s ILE 7 CO 0.27 0.44 -0.15 -0.36 -0.10 0.00 0.00 174.94 175.04 2jxt s PHE 8 N 0.16 2.77 -0.73 3.97 0.08 0.74 -0.08 117.98 124.89 2jxt s PHE 8 Ca 0.15 -0.85 -0.26 0.00 0.12 0.00 0.00 56.93 56.09 2jxt s PHE 8 Cb -0.13 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2jxt s PHE 8 CO 0.03 -0.34 1.22 0.50 -0.10 0.00 0.00 175.22 176.53 2jxt s ARG 9 N 0.53 3.18 -0.39 0.44 3.52 0.75 -3.03 118.95 123.95 2jxt s ARG 9 Ca -0.10 -0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 54.98 2jxt s ARG 9 Cb -0.16 -4.20 0.01 0.00 -1.56 0.00 0.00 34.95 29.04 2jxt s ARG 9 CO 0.04 -2.09 0.37 0.08 -0.81 0.00 0.00 175.30 172.90 2jxt s VAL 10 N 5.42 5.16 -0.20 7.11 1.01 0.46 -2.29 120.40 137.06 2jxt s VAL 10 Ca 0.33 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 2jxt s VAL 10 Cb -0.10 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2jxt s VAL 10 CO 0.14 -0.28 0.23 -0.75 0.00 0.00 0.00 175.10 174.44 2jxt s LYS 11 N 1.98 4.18 0.00 2.72 2.47 0.32 -0.40 119.74 131.01 2jxt s LYS 11 Ca 0.10 -0.07 0.00 0.00 -1.56 0.00 0.00 55.97 54.44 2jxt s LYS 11 Cb -0.17 -3.47 0.00 0.00 -1.46 0.00 0.00 37.83 32.72 2jxt s LYS 11 CO 0.12 0.16 0.00 0.41 0.16 0.00 0.00 175.35 176.20 2jxt n GLY 12 N 3.75 1.79 3.00 5.54 0.00 -0.78 -0.50 105.19 118.01 2jxt n GLY 12 Ca -0.13 -0.94 -0.22 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 -1.62 1.15 -0.12 1.61 1.02 0.58 0.13 119.74 122.49 2jxt s LYS 13 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2jxt s LYS 13 Cb 0.00 -1.04 -0.02 0.00 -0.52 0.00 0.00 37.83 36.25 2jxt s LYS 13 CO 0.00 0.09 -0.13 -0.59 -0.92 0.00 0.00 175.35 173.80 2jxt s PHE 14 N 0.35 2.80 -0.49 3.18 -0.71 -0.27 -0.54 117.98 122.29 2jxt s PHE 14 Ca -0.06 -0.58 -0.28 0.00 -1.04 0.00 0.00 56.93 54.97 2jxt s PHE 14 Cb -0.11 -1.82 0.01 0.00 -1.21 0.00 0.00 43.02 39.89 2jxt s PHE 14 CO 0.01 -0.16 1.47 -1.17 -1.34 0.00 0.00 175.22 174.03 2jxt s LEU 15 N 0.21 3.47 -0.05 -1.99 1.98 0.14 -1.35 118.68 121.09 2jxt s LEU 15 Ca -0.08 0.56 -0.00 0.00 -2.89 0.00 0.00 54.13 51.72 2jxt s LEU 15 Cb -0.15 -3.24 0.03 0.00 0.66 0.00 0.00 46.19 43.49 2jxt s LEU 15 CO 0.05 -1.65 -0.01 -0.32 -1.89 0.00 0.00 176.35 172.53 2jxt s MET 16 N 5.40 0.57 -1.12 1.98 1.75 0.50 -4.84 119.30 123.54 2jxt s MET 16 Ca 0.59 0.06 -0.06 0.00 -1.25 0.00 0.00 55.69 55.02 2jxt s MET 16 Cb -0.13 -0.80 0.01 0.00 2.84 0.00 0.00 34.83 36.75 2jxt s MET 16 CO 0.28 -0.21 0.97 0.41 -0.65 0.00 0.00 175.02 175.83 2jxt n GLY 17 N 4.63 -0.29 2.71 2.11 0.00 -1.26 -2.15 105.19 110.94 2jxt n GLY 17 Ca -0.16 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.36 -5.34 -4.22 1.61 9.92 -1.26 -4.97 116.55 109.93 2jxt n ASP 18 Ca -0.03 0.17 -0.25 0.00 -0.53 0.00 0.00 54.79 54.15 2jxt n ASP 18 Cb 0.56 -3.45 -0.14 0.00 -0.64 0.00 0.00 41.12 37.45 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 -2.38 1.39 -0.74 -1.24 -0.14 -0.91 -5.10 119.74 110.62 2jxt s LYS 19 Ca 0.00 -0.82 -0.20 0.00 -1.36 0.00 0.00 55.97 53.59 2jxt s LYS 19 Cb 0.00 -1.44 0.11 0.00 -1.68 0.00 0.00 37.83 34.82 2jxt s LYS 19 CO 0.00 0.38 0.95 -0.51 -0.76 0.00 0.00 175.35 175.40 2jxt s LEU 20 N -0.90 4.98 -0.29 3.17 1.43 -1.26 -0.37 118.68 125.44 2jxt s LEU 20 Ca 0.07 -1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 51.33 2jxt s LEU 20 Cb -0.08 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.77 2jxt s LEU 20 CO 0.01 -1.19 1.16 -1.10 0.23 0.00 0.00 176.35 175.46 2jxt s GLN 21 N 3.05 4.07 -0.43 1.70 1.11 -0.46 -4.75 119.66 123.95 2jxt s GLN 21 Ca 0.23 1.22 -0.29 0.00 0.01 0.00 0.00 55.36 56.54 2jxt s GLN 21 Cb -0.14 -3.77 0.01 0.00 -1.01 0.00 0.00 33.01 28.10 2jxt s GLN 21 CO 0.01 -0.91 1.47 -1.25 0.01 0.00 0.00 175.29 174.63 2jxt s PRO 22 N 3.72 3.47 0.09 2.91 0.04 -1.26 -1.12 135.00 142.86 2jxt s PRO 22 Ca 0.49 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.47 2jxt s PRO 22 Cb -0.15 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 2jxt s PRO 22 CO 0.16 -1.70 0.17 -0.59 0.04 0.00 0.00 177.00 175.08 2jxt s PHE 23 N 5.82 3.35 -0.51 0.56 -0.71 0.12 -4.95 117.98 121.67 2jxt s PHE 23 Ca 0.62 0.13 0.00 0.00 -1.04 0.00 0.00 56.93 56.65 2jxt s PHE 23 Cb -0.14 -1.66 0.13 0.00 -1.21 0.00 0.00 43.02 40.14 2jxt s PHE 23 CO 0.31 0.54 0.28 0.99 -1.34 0.00 0.00 175.22 176.00 2jxt s THR 24 N -1.54 3.04 -0.14 -4.49 2.01 -1.26 -1.86 115.64 111.40 2jxt s THR 24 Ca 0.32 -2.82 -0.14 0.00 0.31 0.00 0.00 61.69 59.37 2jxt s THR 24 Cb -0.12 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2jxt s THR 24 CO 0.25 -0.77 0.31 -0.75 -0.69 0.00 0.00 174.62 172.97 2jxt s LYS 25 N 0.24 4.19 -0.34 4.92 2.36 0.47 -4.94 119.74 126.64 2jxt s LYS 25 Ca 0.14 0.15 -0.07 0.00 -2.55 0.00 0.00 55.97 53.63 2jxt s LYS 25 Cb -0.22 -3.40 0.03 0.00 -1.05 0.00 0.00 37.83 33.19 2jxt s LYS 25 CO -0.03 0.30 0.12 -1.21 1.55 0.00 0.00 175.35 176.08 2jxt s GLU 26 N 0.26 2.76 0.12 4.03 2.02 -1.26 -0.40 118.70 126.23 2jxt s GLU 26 Ca 0.18 -1.09 -0.09 0.00 0.02 0.00 0.00 54.97 53.99 2jxt s GLU 26 Cb -0.13 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.59 2jxt s GLU 26 CO 0.05 -0.63 0.24 -0.48 0.02 0.00 0.00 175.26 174.46 2jxt s LEU 27 N 1.46 1.19 0.11 1.80 2.34 -1.17 -4.86 118.68 119.55 2jxt s LEU 27 Ca -0.00 -0.75 0.03 0.00 0.06 0.00 0.00 54.13 53.47 2jxt s LEU 27 Cb -0.19 1.12 -0.04 0.00 -0.56 0.00 0.00 46.19 46.52 2jxt s LEU 27 CO 0.04 -0.81 0.12 0.54 -1.06 0.00 0.00 176.35 175.18 2jxt s ASN 28 N -2.91 5.64 0.15 1.48 4.22 -1.26 -0.18 114.94 122.07 2jxt s ASN 28 Ca 0.11 -0.01 -0.17 0.00 -2.14 0.00 0.00 52.86 50.64 2jxt s ASN 28 Cb 0.04 -1.54 0.06 0.00 1.28 0.00 0.00 41.25 41.10 2jxt s ASN 28 CO -0.06 0.13 0.82 0.00 -2.04 0.00 0.00 177.10 175.96 2jxt n ALA 29 N 0.12 -2.15 -0.09 3.54 0.00 0.11 -4.91 120.51 117.14 2jxt n ALA 29 Ca -0.08 -0.82 -0.19 0.00 0.00 0.00 0.00 53.44 52.35 2jxt n ALA 29 Cb 0.53 0.46 -0.12 0.00 0.00 0.00 0.00 19.45 20.31 2jxt n ALA 29 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jxt h ILE 30 N 1.79 1.25 -2.68 0.00 5.03 -1.94 -1.49 117.51 119.47 2jxt h ILE 30 Ca -0.22 -2.25 -0.06 0.00 -0.12 0.00 0.00 64.86 62.22 2jxt h ILE 30 Cb 0.96 2.67 -0.01 0.00 -3.03 0.00 0.00 36.82 37.41 2jxt h ILE 30 CO 0.29 0.43 0.08 -2.11 -0.68 0.00 0.00 178.15 176.16 2jxt n ARG 31 N -4.49 0.52 -0.13 2.37 0.00 -1.26 -4.75 116.66 108.92 2jxt n ARG 31 Ca -0.24 -1.26 -0.06 0.00 -0.00 0.00 0.00 57.85 56.30 2jxt n ARG 31 Cb 0.61 1.44 0.01 0.00 -0.00 0.00 0.00 32.46 34.51 2jxt n ARG 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2jxt h GLU 32 N 0.00 -0.16 -1.01 2.89 5.08 -2.00 -0.93 114.58 118.45 2jxt h GLU 32 Ca -0.17 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.44 2jxt h GLU 32 Cb 0.64 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.83 2jxt h GLU 32 CO 0.21 -0.11 0.63 0.93 -1.00 0.00 0.00 179.01 179.68 2jxt h GLU 33 N -0.17 0.50 -0.22 2.33 4.39 -2.01 0.23 114.58 119.63 2jxt h GLU 33 Ca 0.20 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 2jxt h GLU 33 Cb 0.49 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2jxt h GLU 33 CO -0.54 0.33 -0.53 0.93 -1.16 0.00 0.00 179.01 178.04 2jxt h GLU 34 N 0.51 0.63 -0.04 2.33 4.39 -1.60 -3.29 114.58 117.53 2jxt h GLU 34 Ca 0.58 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.91 2jxt h GLU 34 Cb 1.27 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 2jxt h GLU 34 CO -0.33 1.00 -0.05 0.82 -1.16 0.00 0.00 179.01 179.29 2jxt h ILE 35 N 0.49 0.86 -0.40 3.13 2.04 -0.08 -0.93 117.51 122.63 2jxt h ILE 35 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 2jxt h ILE 35 Cb 1.08 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 2jxt h ILE 35 CO 0.10 0.00 -0.16 1.88 0.00 0.00 0.00 178.15 179.98 2jxt h TYR 36 N -0.07 -0.37 -0.57 1.37 -1.99 -1.51 0.19 116.97 114.02 2jxt h TYR 36 Ca 0.03 0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.73 2jxt h TYR 36 Cb 0.11 0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 2jxt h TYR 36 CO -0.14 -0.24 0.08 0.93 -0.00 0.00 0.00 178.16 178.79 2jxt h GLU 37 N -0.08 0.92 -0.85 4.88 5.08 -1.58 0.66 114.58 123.62 2jxt h GLU 37 Ca 0.19 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2jxt h GLU 37 Cb 0.37 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2jxt h GLU 37 CO -0.45 0.87 0.55 0.00 -1.00 0.00 0.00 179.01 178.97 2jxt h ARG 38 N 0.87 1.03 -0.07 2.33 2.47 -0.19 0.39 114.38 121.20 2jxt h ARG 38 Ca 0.18 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 2jxt h ARG 38 Cb 0.41 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2jxt h ARG 38 CO 0.01 0.68 -0.26 -0.07 0.56 0.00 0.00 179.97 180.89 2jxt h LEU 39 N 1.06 0.36 -0.93 3.04 3.38 -0.56 -2.98 115.31 118.68 2jxt h LEU 39 Ca 0.34 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2jxt h LEU 39 Cb 0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 2jxt h LEU 39 CO -0.12 0.92 0.60 1.88 0.09 0.00 0.00 178.44 181.82 2jxt h TYR 40 N -0.19 1.11 -0.43 1.13 0.05 -0.75 0.13 116.97 118.02 2jxt h TYR 40 Ca -0.01 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2jxt h TYR 40 Cb 0.90 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2jxt h TYR 40 CO 0.13 0.60 0.21 1.03 -1.05 0.00 0.00 178.16 179.07 2jxt h SER 41 N 1.11 0.53 0.00 3.88 0.87 -0.96 -1.34 113.55 117.65 2jxt h SER 41 Ca 0.39 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2jxt h SER 41 Cb 0.11 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2jxt h SER 41 CO -0.15 0.45 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.39 2jxt h GLU 42 N 0.60 0.00 -0.72 2.24 4.81 -1.10 -3.26 114.58 117.14 2jxt h GLU 42 Ca 0.15 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2jxt h GLU 42 Cb 0.06 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2jxt h GLU 42 CO -0.02 0.00 0.38 0.74 -0.73 0.00 0.00 179.01 179.38 2jxt h PHE 43 N -0.67 0.69 0.00 0.92 0.04 -0.88 0.13 116.94 117.17 2jxt h PHE 43 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2jxt h PHE 43 Cb 0.12 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 2jxt h PHE 43 CO -0.05 0.29 -0.07 0.78 -0.60 0.00 0.00 178.31 178.65 2jxt h GLY 44 N 0.67 0.00 0.00 -1.45 0.00 -0.82 0.36 103.07 101.84 2jxt h GLY 44 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2jxt h GLY 44 CO -0.24 0.00 -0.14 -1.26 0.00 0.00 0.00 176.54 174.91 2jxt n SER 45 N -3.51 0.32 0.08 0.19 2.88 -0.33 -3.62 113.62 109.64 2jxt n SER 45 Ca -0.02 0.17 -0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2jxt n SER 45 Cb 0.20 -0.55 0.04 0.00 -0.75 0.00 0.00 64.21 63.15 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 -0.17 0.23 -0.01 -1.46 2.10 -1.18 -3.22 116.57 112.86 2jxt h LYS 46 Ca 0.00 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 2jxt h LYS 46 Cb 0.14 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2jxt h LYS 46 CO 0.00 0.89 -0.71 0.72 -2.00 0.00 0.00 179.45 178.35 2jxt n HIS 47 N -3.76 0.00 -1.24 0.07 8.25 -0.85 -4.98 115.22 112.72 2jxt n HIS 47 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 2jxt n HIS 47 Cb 0.72 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.88 -1.43 -2.82 -0.41 5.12 0.10 -4.93 116.66 111.41 2jxt n ARG 48 Ca 0.06 0.74 -0.42 0.00 -1.93 0.00 0.00 57.85 56.29 2jxt n ARG 48 Cb 0.35 -4.97 -0.04 0.00 -1.16 0.00 0.00 32.46 26.64 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 -1.87 4.67 0.63 1.55 1.01 0.15 -4.84 120.40 121.70 2jxt s VAL 49 Ca 0.00 1.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 2jxt s VAL 49 Cb 0.00 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2jxt s VAL 49 CO 0.00 -0.37 1.30 -2.16 0.00 0.00 0.00 175.10 173.87 2jxt s PRO 50 N 3.26 2.64 0.32 2.72 0.04 -1.26 -2.31 135.00 140.40 2jxt s PRO 50 Ca 0.37 2.07 0.09 0.00 0.04 0.00 0.00 61.00 63.57 2jxt s PRO 50 Cb -0.13 -1.89 0.84 0.00 0.04 0.00 0.00 34.50 33.36 2jxt s PRO 50 CO 0.14 -1.53 1.75 0.07 0.04 0.00 0.00 177.00 177.47 2jxt h ARG 51 N 0.66 0.62 0.00 4.56 0.11 -1.96 -0.53 114.38 117.85 2jxt h ARG 51 Ca -0.51 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.53 2jxt h ARG 51 Cb 1.33 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2jxt h ARG 51 CO 0.54 0.41 0.00 1.03 0.10 0.00 0.00 179.97 182.05 2jxt h SER 52 N 0.64 0.00 0.10 0.08 0.87 -2.02 -1.37 113.55 111.85 2jxt h SER 52 Ca 0.62 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2jxt h SER 52 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2jxt h SER 52 CO -0.43 0.00 -0.09 0.29 -0.53 0.00 0.00 176.83 176.07 2jxt n LYS 53 N -3.06 1.28 -3.41 2.24 4.76 -0.21 -4.76 118.16 115.01 2jxt n LYS 53 Ca -0.02 -0.71 -0.44 0.00 -2.87 0.00 0.00 58.31 54.27 2jxt n LYS 53 Cb 0.13 -1.49 -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 -2.20 5.24 -0.42 -0.18 1.01 -0.52 -0.69 120.40 122.63 2jxt s VAL 54 Ca 0.33 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 2jxt s VAL 54 Cb 0.20 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2jxt s VAL 54 CO 0.41 -0.49 0.27 -0.75 0.00 0.00 0.00 175.10 174.54 2jxt s LYS 55 N 1.65 2.64 -0.00 2.72 2.47 0.29 -5.00 119.74 124.51 2jxt s LYS 55 Ca 0.04 -1.45 -0.26 0.00 -1.56 0.00 0.00 55.97 52.75 2jxt s LYS 55 Cb -0.23 -3.82 -0.04 0.00 -1.46 0.00 0.00 37.83 32.28 2jxt s LYS 55 CO 0.08 -0.96 0.80 0.42 0.16 0.00 0.00 175.35 175.84 2jxt s ILE 56 N 1.45 4.87 -0.07 5.43 1.01 -1.26 -0.31 121.20 132.32 2jxt s ILE 56 Ca 0.03 1.68 -0.07 0.00 0.00 0.00 0.00 60.65 62.29 2jxt s ILE 56 Cb -0.23 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 2jxt s ILE 56 CO 0.03 0.27 -0.14 -0.62 0.00 0.00 0.00 174.94 174.48 2jxt n GLU 57 N 3.41 0.22 -4.15 2.79 -0.58 0.35 -4.96 120.64 117.71 2jxt n GLU 57 Ca 0.00 0.09 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 2jxt n GLU 57 Cb 0.51 -0.85 -0.13 0.00 -0.57 0.00 0.00 31.44 30.39 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 -1.84 0.54 -0.07 3.49 2.56 -0.63 -5.00 118.70 117.73 2jxt s GLU 58 Ca -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 54.97 54.35 2jxt s GLU 58 Cb 0.02 -0.44 0.04 0.00 2.00 0.00 0.00 34.13 35.74 2jxt s GLU 58 CO 0.18 0.11 0.06 0.42 -0.56 0.00 0.00 175.26 175.46 2jxt s ILE 59 N -0.69 -0.04 0.21 -3.70 1.01 -1.26 -0.52 121.20 116.20 2jxt s ILE 59 Ca -0.03 0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.94 2jxt s ILE 59 Cb -0.06 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 2jxt s ILE 59 CO 0.00 0.09 0.14 -1.61 0.00 0.00 0.00 174.94 173.56 2jxt s GLU 60 N 2.13 2.84 -0.16 2.79 8.01 -0.97 -4.92 118.70 128.42 2jxt s GLU 60 Ca 0.04 -0.99 -0.06 0.00 0.01 0.00 0.00 54.97 53.97 2jxt s GLU 60 Cb -0.13 -2.56 -0.04 0.00 -4.31 0.00 0.00 34.13 27.09 2jxt s GLU 60 CO -0.05 0.44 0.06 -2.00 0.01 0.00 0.00 175.26 173.72 2jxt s GLU 61 N -3.42 3.75 0.26 1.61 2.12 -1.26 -0.18 118.70 121.58 2jxt s GLU 61 Ca 0.31 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.32 2jxt s GLU 61 Cb -0.09 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 2jxt s GLU 61 CO 0.23 0.40 0.11 0.96 -0.54 0.00 0.00 175.26 176.43 2jxt s ILE 62 N 0.01 0.43 0.30 -3.70 -4.36 0.89 -4.96 121.20 109.81 2jxt s ILE 62 Ca 0.06 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.43 2jxt s ILE 62 Cb -0.12 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 2jxt s ILE 62 CO 0.01 0.00 0.53 -0.44 0.24 0.00 0.00 174.94 175.28 2jxt s SER 63 N -3.30 6.37 0.53 4.36 0.01 -1.26 -3.04 113.70 117.36 2jxt s SER 63 Ca 0.38 0.57 0.24 0.00 1.31 0.00 0.00 55.95 58.44 2jxt s SER 63 Cb 0.07 -2.08 1.38 0.00 0.21 0.00 0.00 66.02 65.60 2jxt s SER 63 CO 0.14 -0.22 2.01 1.55 0.41 0.00 0.00 173.24 177.13 2jxt h PRO 64 N 1.32 0.01 0.00 12.44 0.13 -1.95 0.13 132.00 144.07 2jxt h PRO 64 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.64 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 2jxt n GLU 65 N -4.39 0.20 0.00 0.86 0.00 -1.26 -2.70 120.64 113.34 2jxt n GLU 65 Ca 0.09 0.20 0.13 0.00 0.00 0.00 0.00 57.16 57.58 2jxt n GLU 65 Cb 0.56 -1.75 0.42 0.00 0.00 0.00 0.00 31.44 30.67 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 -2.09 0.04 -2.79 3.44 1.02 0.44 -4.88 120.64 115.81 2jxt n GLU 66 Ca 0.05 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 2jxt n GLU 66 Cb 0.38 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.97 4.88 -0.12 2.62 1.01 -1.10 -4.95 120.40 119.76 2jxt s VAL 67 Ca 0.13 1.91 0.18 0.00 0.00 0.00 0.00 61.98 64.20 2jxt s VAL 67 Cb 0.18 -4.25 -0.19 0.00 0.00 0.00 0.00 36.38 32.12 2jxt s VAL 67 CO 0.62 0.20 0.63 0.00 0.00 0.00 0.00 175.10 176.55 2jxt n GLN 68 N 3.75 0.64 -2.09 2.72 1.13 -1.26 -4.88 117.38 117.39 2jxt n GLN 68 Ca 0.04 0.12 -0.43 0.00 -1.94 0.00 0.00 57.00 54.80 2jxt n GLN 68 Cb 0.51 -1.72 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 2jxt n GLN 68 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jxt s ASP 69 N -5.56 6.38 0.34 1.08 -1.08 -1.26 -4.91 116.67 111.65 2jxt s ASP 69 Ca -0.05 1.68 0.04 0.00 -0.52 0.00 0.00 52.55 53.70 2jxt s ASP 69 Cb 0.09 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.62 2jxt s ASP 69 CO 0.83 -1.25 1.88 1.55 0.52 0.00 0.00 175.17 178.70 2jxt h PRO 70 N 10.74 0.54 0.31 4.34 0.13 -1.98 -0.20 132.00 145.88 2jxt h PRO 70 Ca -0.34 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2jxt h PRO 70 Cb 1.16 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jxt h PRO 70 CO 1.00 0.55 -0.15 0.28 -0.23 0.00 0.00 178.00 179.45 2jxt h VAL 71 N 0.52 0.69 -0.41 1.56 2.07 -1.99 -1.63 116.25 117.06 2jxt h VAL 71 Ca 0.11 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2jxt h VAL 71 Cb 0.31 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2jxt h VAL 71 CO 0.01 0.11 0.17 0.58 0.02 0.00 0.00 177.57 178.46 2jxt h VAL 72 N -0.75 1.20 -0.19 2.57 2.07 -1.88 -0.88 116.25 118.39 2jxt h VAL 72 Ca -0.04 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 66.92 2jxt h VAL 72 Cb 0.50 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2jxt h VAL 72 CO 0.07 0.22 -0.12 0.50 0.02 0.00 0.00 177.57 178.26 2jxt h LYS 73 N 0.53 -0.12 -0.53 1.57 3.64 -1.06 -1.85 116.57 118.74 2jxt h LYS 73 Ca 0.14 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2jxt h LYS 73 Cb 0.19 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2jxt h LYS 73 CO -0.01 -0.08 0.06 0.00 -2.27 0.00 0.00 179.45 177.15 2jxt h ALA 74 N 1.01 0.71 -0.79 5.00 0.00 -1.24 -0.74 119.26 123.22 2jxt h ALA 74 Ca 0.11 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2jxt h ALA 74 Cb 0.29 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 2jxt h ALA 74 CO -0.26 0.47 0.35 1.25 0.00 0.00 0.00 179.25 181.06 2jxt h LEU 75 N 0.78 0.36 0.00 0.00 6.46 -0.65 0.02 115.31 122.28 2jxt h LEU 75 Ca 0.16 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2jxt h LEU 75 Cb 0.44 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2jxt h LEU 75 CO 0.01 0.14 -0.07 0.58 -0.62 0.00 0.00 178.44 178.48 2jxt h VAL 76 N 0.50 1.62 0.00 1.05 2.07 -1.26 -3.30 116.25 116.93 2jxt h VAL 76 Ca 0.43 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2jxt h VAL 76 Cb 0.65 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 2jxt h VAL 76 CO -0.40 0.51 0.00 0.00 0.02 0.00 0.00 177.57 177.70 2jxt n GLN 77 N -4.65 0.35 0.11 1.57 6.02 -0.29 -1.19 117.38 119.30 2jxt n GLN 77 Ca -0.10 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.90 2jxt n GLN 77 Cb 0.43 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.09 -3.34 114.38 108.97 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 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2jxt h ARG 78 CO 0.00 0.55 -1.37 1.47 0.10 0.00 0.00 179.97 180.72 2jxt n LEU 79 N -3.20 0.24 -4.63 0.08 -0.00 -0.34 -5.03 117.00 104.12 2jxt n LEU 79 Ca 0.00 -0.17 -0.38 0.00 -0.00 0.00 0.00 56.01 55.46 2jxt n LEU 79 Cb 0.78 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.24 2jxt n LEU 79 CO 0.42 0.06 0.60 -0.62 -0.00 0.00 0.00 177.39 177.84 2jxt n GLU 80 N -1.80 1.06 -0.65 1.47 -0.58 -0.98 -4.89 120.64 114.27 2jxt n GLU 80 Ca -0.01 0.40 -0.09 0.00 -0.42 0.00 0.00 57.16 57.05 2jxt n GLU 80 Cb 0.34 -2.19 0.14 0.00 -0.57 0.00 0.00 31.44 29.16 2jxt n GLU 80 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jxt n HIS 81 N -1.45 1.59 -1.54 -0.32 8.25 -1.26 -4.93 115.22 115.55 2jxt n HIS 81 Ca 0.13 -1.02 -0.27 0.00 -0.26 0.00 0.00 57.72 56.29 2jxt n HIS 81 Cb 0.46 -0.56 -0.08 0.00 1.12 0.00 0.00 29.99 30.93 2jxt n HIS 81 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jxt n HIS 82 N -0.21 1.12 -2.64 4.41 -0.00 -1.26 -2.90 115.22 113.74 2jxt n HIS 82 Ca 0.29 0.09 -0.04 0.00 0.46 0.00 0.00 57.72 58.52 2jxt n HIS 82 Cb 1.06 -2.42 0.01 0.00 -0.12 0.00 0.00 29.99 28.52 2jxt n HIS 82 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jxt n HIS 83 N 15.47 -3.28 -0.78 1.57 8.25 -1.26 -4.95 115.22 130.24 2jxt n HIS 83 Ca 0.46 1.38 0.08 0.00 -0.26 0.00 0.00 57.72 59.39 2jxt n HIS 83 Cb 0.41 -3.76 0.38 0.00 1.12 0.00 0.00 29.99 28.14 2jxt n HIS 83 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jxt n HIS 84 N 0.07 1.77 -4.70 4.41 1.44 -1.14 -4.91 115.22 112.15 2jxt n HIS 84 Ca 0.06 -0.68 -0.33 0.00 -2.01 0.00 0.00 57.72 54.77 2jxt n HIS 84 Cb 0.23 -0.38 -0.16 0.00 0.12 0.00 0.00 29.99 29.80 2jxt n HIS 84 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jxt s HIS 85 N -2.33 2.70 -2.87 -1.40 5.04 -1.26 -5.21 115.29 109.96 2jxt s HIS 85 Ca 0.53 -1.16 0.25 0.00 -1.54 0.00 0.00 55.06 53.13 2jxt s HIS 85 Cb 0.37 -1.83 0.41 0.00 0.04 0.00 0.00 32.58 31.58 2jxt s HIS 85 CO 0.20 -0.52 1.38 -2.39 -2.34 0.00 0.00 174.74 171.07