#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxa s HIS 4 N 0.00 2.32 -0.03 2.11 4.02 -1.26 -5.09 115.29 117.36 2vxa s HIS 4 Ca 0.00 1.57 0.07 0.00 1.02 0.00 0.00 55.06 57.72 2vxa s HIS 4 Cb 0.00 -3.36 -0.02 0.00 -1.02 0.00 0.00 32.58 28.18 2vxa s HIS 4 CO 0.00 -2.19 -0.25 0.08 1.02 0.00 0.00 174.74 173.40 2vxa s VAL 5 N -2.03 2.04 0.11 -0.90 1.01 -1.26 -5.10 120.40 114.27 2vxa s VAL 5 Ca 0.72 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.71 2vxa s VAL 5 Cb -0.26 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2vxa s VAL 5 CO 0.41 0.57 -0.23 -0.31 0.00 0.00 0.00 175.10 175.55 2vxa s TYR 6 N -0.44 1.94 0.02 5.22 1.51 -1.26 -1.62 117.35 122.72 2vxa s TYR 6 Ca 0.05 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2vxa s TYR 6 Cb -0.11 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 2vxa s TYR 6 CO 0.01 0.25 -0.10 0.21 -1.11 0.00 0.00 175.55 174.81 2vxa s LYS 7 N -1.98 2.40 -0.20 -0.62 2.20 -0.15 -4.91 119.74 116.47 2vxa s LYS 7 Ca 0.09 -0.81 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 2vxa s LYS 7 Cb -0.10 -2.41 0.03 0.00 -1.51 0.00 0.00 37.83 33.84 2vxa s LYS 7 CO 0.05 0.58 -0.17 0.42 -0.36 0.00 0.00 175.35 175.87 2vxa s ILE 8 N -1.00 2.19 0.11 5.43 1.01 -1.26 -1.53 121.20 126.16 2vxa s ILE 8 Ca 0.17 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.84 2vxa s ILE 8 Cb -0.11 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2vxa s ILE 8 CO 0.08 0.42 -0.05 0.68 0.00 0.00 0.00 174.94 176.06 2vxa s VAL 9 N 1.27 3.66 -0.23 2.92 -7.23 -0.67 -4.90 120.40 115.21 2vxa s VAL 9 Ca 0.02 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2vxa s VAL 9 Cb -0.14 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2vxa s VAL 9 CO -0.11 0.07 0.04 -0.70 -0.31 0.00 0.00 175.10 174.10 2vxa s GLU 10 N -2.37 3.63 0.06 4.82 2.12 -1.26 -1.08 118.70 124.61 2vxa s GLU 10 Ca 0.24 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.12 2vxa s GLU 10 Cb -0.11 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2vxa s GLU 10 CO 0.16 -0.11 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.13 2vxa s LEU 11 N 1.37 2.26 -0.17 2.70 1.43 -0.41 -4.97 118.68 120.89 2vxa s LEU 11 Ca 0.05 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2vxa s LEU 11 Cb -0.15 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.65 2vxa s LEU 11 CO 0.02 -0.09 -0.20 0.28 0.23 0.00 0.00 176.35 176.59 2vxa s THR 12 N -1.26 2.01 0.24 5.49 -1.32 -1.26 0.27 115.64 119.81 2vxa s THR 12 Ca -0.03 -0.92 -0.03 0.00 -1.21 0.00 0.00 61.69 59.50 2vxa s THR 12 Cb -0.10 -1.81 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 2vxa s THR 12 CO 0.02 0.53 0.47 -0.83 -2.21 0.00 0.00 174.62 172.60 2vxa s GLY 13 N 1.18 1.84 0.07 6.08 0.00 -0.29 -4.89 107.32 111.32 2vxa s GLY 13 Ca 0.02 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 44.12 2vxa s GLY 13 CO -0.10 -0.61 -0.18 -0.45 0.00 0.00 0.00 173.10 171.77 2vxa s SER 14 N -3.14 2.11 -0.28 1.64 0.15 -1.25 -1.44 113.70 111.50 2vxa s SER 14 Ca 0.41 -0.59 -0.25 0.00 0.70 0.00 0.00 55.95 56.23 2vxa s SER 14 Cb -0.11 -0.12 0.11 0.00 -1.71 0.00 0.00 66.02 64.20 2vxa s SER 14 CO 0.29 0.04 0.97 -0.55 1.20 0.00 0.00 173.24 175.19 2vxa s SER 15 N -1.57 -0.51 0.00 5.45 0.15 -0.91 -4.46 113.70 111.85 2vxa s SER 15 Ca 0.03 0.97 0.24 0.00 0.70 0.00 0.00 55.95 57.90 2vxa s SER 15 Cb -0.09 1.00 1.27 0.00 -1.71 0.00 0.00 66.02 66.48 2vxa s SER 15 CO 0.03 -0.17 1.82 -0.81 1.20 0.00 0.00 173.24 175.31 2vxa n PRO 16 N 2.37 0.40 -0.10 5.44 -0.04 -1.26 -0.42 135.00 141.39 2vxa n PRO 16 Ca -0.13 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.26 2vxa n PRO 16 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 2vxa n PRO 16 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vxa n ASN 17 N -1.25 1.29 0.00 3.54 3.02 -1.26 -4.83 115.26 115.77 2vxa n ASN 17 Ca 0.12 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2vxa n ASN 17 Cb 0.18 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 2vxa n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vxa n GLY 18 N 2.11 -1.00 0.11 7.41 0.00 -1.26 -5.00 105.19 107.57 2vxa n GLY 18 Ca -0.35 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 2vxa n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2vxa h ILE 19 N 0.00 1.08 -0.45 -0.61 2.04 -1.94 -1.91 117.51 115.71 2vxa h ILE 19 Ca 0.00 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 2vxa h ILE 19 Cb 0.00 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2vxa h ILE 19 CO 0.00 0.25 0.27 -0.33 0.00 0.00 0.00 178.15 178.34 2vxa h GLU 20 N -0.70 0.61 -0.19 2.37 3.07 -2.00 -1.92 114.58 115.82 2vxa h GLU 20 Ca -0.02 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2vxa h GLU 20 Cb 0.53 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2vxa h GLU 20 CO 0.03 0.43 -0.20 0.93 -1.40 0.00 0.00 179.01 178.80 2vxa h GLU 21 N 0.62 0.47 -0.68 2.33 3.07 -1.94 -1.77 114.58 116.69 2vxa h GLU 21 Ca 0.16 -0.25 0.09 0.00 -0.50 0.00 0.00 59.36 58.85 2vxa h GLU 21 Cb -0.02 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 2vxa h GLU 21 CO -0.03 0.83 0.34 0.00 -1.40 0.00 0.00 179.01 178.75 2vxa h ALA 22 N 0.63 0.93 -0.12 3.43 0.00 -1.00 -0.87 119.26 122.26 2vxa h ALA 22 Ca 0.03 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2vxa h ALA 22 Cb 0.75 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2vxa h ALA 22 CO 0.05 -0.05 -0.71 -0.39 0.00 0.00 0.00 179.25 178.15 2vxa h VAL 23 N 0.59 1.34 -0.74 0.00 -1.51 -1.23 -2.62 116.25 112.08 2vxa h VAL 23 Ca 0.33 -2.04 0.02 0.00 -1.23 0.00 0.00 66.70 63.78 2vxa h VAL 23 Cb 0.33 2.01 -0.04 0.00 -2.13 0.00 0.00 31.29 31.47 2vxa h VAL 23 CO -0.25 0.62 0.48 0.78 -1.23 0.00 0.00 177.57 177.97 2vxa h ASN 24 N 0.37 0.82 -0.26 4.19 -0.26 -1.10 -0.47 115.58 118.87 2vxa h ASN 24 Ca -0.03 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.74 2vxa h ASN 24 Cb 1.29 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 38.32 2vxa h ASN 24 CO 0.13 0.58 -0.01 0.78 -1.06 0.00 0.00 177.43 177.86 2vxa h ASN 25 N 0.96 -0.11 -0.72 5.81 -0.26 -1.09 0.23 115.58 120.41 2vxa h ASN 25 Ca 0.28 0.06 0.04 0.00 -0.56 0.00 0.00 56.30 56.12 2vxa h ASN 25 Cb -0.07 0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.25 2vxa h ASN 25 CO -0.08 -0.03 0.44 0.00 -1.06 0.00 0.00 177.43 176.71 2vxa h ALA 26 N 1.22 0.95 -0.09 -0.83 0.00 -1.01 -0.80 119.26 118.70 2vxa h ALA 26 Ca 0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2vxa h ALA 26 Cb 0.16 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2vxa h ALA 26 CO -0.21 0.19 -0.84 0.82 0.00 0.00 0.00 179.25 179.21 2vxa h ILE 27 N 0.84 1.32 0.13 0.00 2.04 -0.60 -1.82 117.51 119.41 2vxa h ILE 27 Ca 0.30 -2.13 0.02 0.00 1.00 0.00 0.00 64.86 64.05 2vxa h ILE 27 Cb 0.08 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 2vxa h ILE 27 CO -0.13 0.66 -0.44 0.00 0.00 0.00 0.00 178.15 178.24 2vxa h ALA 28 N 0.64 -0.79 -0.08 1.87 0.00 -0.31 -1.34 119.26 119.24 2vxa h ALA 28 Ca -0.07 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2vxa h ALA 28 Cb 1.46 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 2vxa h ALA 28 CO 0.16 -1.01 0.07 0.00 0.00 0.00 0.00 179.25 178.47 2vxa h ARG 29 N -0.68 0.00 -0.11 0.00 2.47 -1.04 -1.03 114.38 113.99 2vxa h ARG 29 Ca 0.02 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.52 2vxa h ARG 29 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2vxa h ARG 29 CO -0.25 0.00 -0.79 0.00 0.56 0.00 0.00 179.97 179.49 2vxa h ALA 30 N 1.94 0.41 -0.04 0.04 0.00 -1.07 -3.26 119.26 117.28 2vxa h ALA 30 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2vxa h ALA 30 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2vxa h ALA 30 CO -0.00 0.72 -0.33 0.78 0.00 0.00 0.00 179.25 180.42 2vxa h GLY 31 N 0.87 0.09 0.98 0.00 0.00 -0.03 0.42 103.07 105.39 2vxa h GLY 31 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2vxa h GLY 31 CO 0.15 0.06 0.29 0.83 0.00 0.00 0.00 176.54 177.87 2vxa h GLU 32 N 0.07 0.78 0.00 4.80 5.08 -1.49 -3.37 114.58 120.46 2vxa h GLU 32 Ca 0.01 -0.10 -0.36 0.00 -1.00 0.00 0.00 59.36 57.91 2vxa h GLU 32 Cb 0.62 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 2vxa h GLU 32 CO 0.05 0.62 -2.36 -2.37 -1.00 0.00 0.00 179.01 173.95 2vxa n THR 33 N -4.59 1.36 -3.30 1.13 5.66 -0.98 -4.99 114.28 108.57 2vxa n THR 33 Ca 0.03 -0.72 -0.20 0.00 -3.05 0.00 0.00 64.05 60.11 2vxa n THR 33 Cb 0.10 -0.82 0.01 0.00 -1.55 0.00 0.00 70.33 68.08 2vxa n THR 33 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2vxa s LEU 34 N -5.80 3.26 0.01 1.09 2.01 0.14 -5.12 118.68 114.27 2vxa s LEU 34 Ca -0.18 -0.77 0.00 0.00 0.01 0.00 0.00 54.13 53.19 2vxa s LEU 34 Cb 0.07 -1.94 -0.01 0.00 0.01 0.00 0.00 46.19 44.32 2vxa s LEU 34 CO 0.71 -0.98 -0.03 0.00 1.01 0.00 0.00 176.35 177.06 2vxa s ARG 35 N -4.39 0.24 -0.62 1.70 1.70 -1.26 -4.53 118.95 111.79 2vxa s ARG 35 Ca 0.52 -0.40 -0.01 0.00 -0.47 0.00 0.00 55.73 55.37 2vxa s ARG 35 Cb -0.06 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 2vxa s ARG 35 CO 0.32 -0.01 0.52 0.72 -1.08 0.00 0.00 175.30 175.77 2vxa n HIS 36 N 2.14 -1.17 -2.07 5.89 8.25 -1.26 -4.34 115.22 122.66 2vxa n HIS 36 Ca -0.19 0.48 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 2vxa n HIS 36 Cb 0.57 -3.49 -0.03 0.00 1.12 0.00 0.00 29.99 28.16 2vxa n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2vxa s LEU 37 N -4.21 4.33 -0.11 2.41 1.43 -1.26 -1.72 118.68 119.54 2vxa s LEU 37 Ca 0.05 2.27 -0.10 0.00 -1.03 0.00 0.00 54.13 55.32 2vxa s LEU 37 Cb -0.02 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 2vxa s LEU 37 CO 0.37 -0.83 -0.21 0.54 0.23 0.00 0.00 176.35 176.45 2vxa n ARG 38 N 5.86 0.33 -4.02 1.70 5.12 0.20 -4.98 116.66 120.87 2vxa n ARG 38 Ca 0.15 0.14 -0.09 0.00 -1.93 0.00 0.00 57.85 56.12 2vxa n ARG 38 Cb 0.42 -1.07 -0.09 0.00 -1.16 0.00 0.00 32.46 30.57 2vxa n ARG 38 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 2vxa s TRP 39 N -2.43 0.50 0.17 -1.55 -2.14 -1.13 -5.00 118.94 107.35 2vxa s TRP 39 Ca -0.20 -0.93 0.02 0.00 2.66 0.00 0.00 56.10 57.65 2vxa s TRP 39 Cb 0.05 -0.26 -0.05 0.00 -3.10 0.00 0.00 33.47 30.12 2vxa s TRP 39 CO 0.27 -0.54 -0.00 -0.59 -2.66 0.00 0.00 176.95 173.43 2vxa s PHE 40 N -3.95 1.20 -0.02 1.66 -0.12 -1.26 0.06 117.98 115.55 2vxa s PHE 40 Ca 0.14 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.01 2vxa s PHE 40 Cb 0.06 -0.68 0.02 0.00 -0.63 0.00 0.00 43.02 41.79 2vxa s PHE 40 CO -0.05 -0.21 0.01 -2.00 -0.05 0.00 0.00 175.22 172.92 2vxa s GLU 41 N -3.91 0.15 -0.16 1.99 2.12 0.72 -4.96 118.70 114.66 2vxa s GLU 41 Ca 0.23 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.35 2vxa s GLU 41 Cb 0.06 -0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.12 2vxa s GLU 41 CO 0.04 -0.10 1.17 0.08 -0.54 0.00 0.00 175.26 175.91 2vxa s VAL 42 N 0.77 4.42 -0.15 3.70 1.01 -1.26 0.06 120.40 128.94 2vxa s VAL 42 Ca -0.07 1.72 0.22 0.00 0.00 0.00 0.00 61.98 63.85 2vxa s VAL 42 Cb -0.10 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 2vxa s VAL 42 CO -0.02 -0.11 0.82 0.55 0.00 0.00 0.00 175.10 176.34 2vxa n VAL 43 N 5.14 0.39 -3.65 2.92 3.14 0.24 -4.94 118.33 121.58 2vxa n VAL 43 Ca 0.12 -0.53 -0.00 0.00 -2.96 0.00 0.00 64.34 60.97 2vxa n VAL 43 Cb 0.46 -0.21 -0.06 0.00 -1.06 0.00 0.00 33.84 32.96 2vxa n VAL 43 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2vxa s ASP 44 N -5.04 -0.07 -0.14 6.55 2.15 -1.15 -5.00 116.67 113.97 2vxa s ASP 44 Ca -0.04 0.12 0.02 0.00 0.43 0.00 0.00 52.55 53.09 2vxa s ASP 44 Cb 0.11 0.63 0.01 0.00 -0.30 0.00 0.00 42.92 43.37 2vxa s ASP 44 CO 0.84 -0.02 -0.21 -0.89 -0.17 0.00 0.00 175.17 174.71 2vxa s THR 45 N 0.60 2.02 0.38 1.71 2.01 -1.26 -0.83 115.64 120.28 2vxa s THR 45 Ca -0.01 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.08 2vxa s THR 45 Cb -0.03 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 2vxa s THR 45 CO -0.12 0.54 0.18 -0.13 -0.69 0.00 0.00 174.62 174.39 2vxa s ARG 46 N 0.88 1.86 -0.03 4.92 0.52 0.11 -5.00 118.95 122.20 2vxa s ARG 46 Ca -0.06 -2.12 -0.30 0.00 -0.52 0.00 0.00 55.73 52.73 2vxa s ARG 46 Cb -0.15 -0.29 0.11 0.00 0.52 0.00 0.00 34.95 35.14 2vxa s ARG 46 CO -0.03 -0.53 1.09 0.20 0.02 0.00 0.00 175.30 176.05 2vxa s GLY 47 N -3.52 -0.36 -0.10 -3.53 0.00 -1.26 -0.56 107.32 97.98 2vxa s GLY 47 Ca 0.29 0.95 -0.05 0.00 0.00 0.00 0.00 44.72 45.91 2vxa s GLY 47 CO 0.18 0.28 0.11 -1.58 0.00 0.00 0.00 173.10 172.10 2vxa s HIS 48 N -2.78 3.49 -0.18 1.90 2.46 -0.54 -4.98 115.29 114.66 2vxa s HIS 48 Ca 0.10 0.44 -0.03 0.00 0.47 0.00 0.00 55.06 56.04 2vxa s HIS 48 Cb 0.00 -1.90 -0.02 0.00 -0.13 0.00 0.00 32.58 30.54 2vxa s HIS 48 CO -0.04 0.67 -0.06 0.42 -2.47 0.00 0.00 174.74 173.26 2vxa s ILE 49 N -1.02 3.49 -0.04 0.89 1.01 -1.26 -1.48 121.20 122.78 2vxa s ILE 49 Ca 0.15 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2vxa s ILE 49 Cb -0.12 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 2vxa s ILE 49 CO 0.05 0.46 -0.17 -0.70 0.00 0.00 0.00 174.94 174.58 2vxa s GLU 50 N 0.93 1.75 7.46 2.79 2.56 0.12 -4.90 118.70 129.42 2vxa s GLU 50 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 54.36 2vxa s GLU 50 Cb -0.15 -1.53 0.00 0.00 2.00 0.00 0.00 34.13 34.45 2vxa s GLU 50 CO 0.01 0.25 0.00 0.41 -0.56 0.00 0.00 175.26 175.37 2vxa n GLY 51 N 3.10 3.48 1.56 -1.50 0.00 -1.26 -1.49 105.19 109.09 2vxa n GLY 51 Ca -0.18 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2vxa n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vxa n GLY 52 N 0.00 5.79 3.13 -0.02 0.00 -1.26 -5.02 105.19 107.81 2vxa n GLY 52 Ca 0.00 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 2vxa n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2vxa s ARG 53 N -3.47 0.71 -0.09 1.61 1.70 -0.55 -5.11 118.95 113.74 2vxa s ARG 53 Ca 0.48 -1.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 2vxa s ARG 53 Cb 0.41 -0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 2vxa s ARG 53 CO 0.00 0.05 1.49 0.08 -1.08 0.00 0.00 175.30 175.84 2vxa s VAL 54 N -2.26 3.85 -0.32 4.99 1.01 -1.26 0.14 120.40 126.54 2vxa s VAL 54 Ca 0.01 1.05 0.14 0.00 0.00 0.00 0.00 61.98 63.18 2vxa s VAL 54 Cb -0.04 -3.68 -0.19 0.00 0.00 0.00 0.00 36.38 32.47 2vxa s VAL 54 CO -0.01 -0.09 0.45 -0.46 0.00 0.00 0.00 175.10 175.00 2vxa n ASN 55 N 6.80 1.19 -3.72 3.32 6.94 -0.55 -4.88 115.26 124.37 2vxa n ASN 55 Ca 0.16 -0.39 -0.19 0.00 -0.02 0.00 0.00 54.58 54.14 2vxa n ASN 55 Cb 0.44 1.36 -0.17 0.00 -2.36 0.00 0.00 39.78 39.04 2vxa n ASN 55 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2vxa s HIS 56 N -2.70 0.14 -0.16 -2.53 3.76 -1.21 -4.31 115.29 108.28 2vxa s HIS 56 Ca -0.00 0.15 -0.20 0.00 -0.15 0.00 0.00 55.06 54.86 2vxa s HIS 56 Cb 0.10 -0.44 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 2vxa s HIS 56 CO 0.60 -0.17 0.58 -1.58 -0.85 0.00 0.00 174.74 173.32 2vxa s TRP 57 N 1.72 3.44 -0.28 1.40 0.52 0.45 -1.47 118.94 124.71 2vxa s TRP 57 Ca -0.01 0.94 0.03 0.00 0.02 0.00 0.00 56.10 57.09 2vxa s TRP 57 Cb -0.12 -2.71 0.07 0.00 -1.15 0.00 0.00 33.47 29.55 2vxa s TRP 57 CO -0.03 -0.03 -0.06 -0.65 0.02 0.00 0.00 176.95 176.20 2vxa s GLN 58 N 1.37 1.99 -0.24 4.98 -0.21 0.27 -2.15 119.66 125.66 2vxa s GLN 58 Ca 0.28 -1.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.11 2vxa s GLN 58 Cb -0.16 -2.98 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 2vxa s GLN 58 CO 0.11 -0.69 0.01 0.08 -2.12 0.00 0.00 175.29 172.69 2vxa s VAL 59 N 1.05 3.73 -0.04 1.09 1.01 -0.52 0.08 120.40 126.79 2vxa s VAL 59 Ca -0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2vxa s VAL 59 Cb -0.20 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 2vxa s VAL 59 CO -0.06 0.32 0.28 0.28 0.00 0.00 0.00 175.10 175.92 2vxa s THR 60 N 1.51 5.27 -0.02 3.92 -1.32 -0.01 -1.14 115.64 123.85 2vxa s THR 60 Ca 0.05 0.46 -0.08 0.00 -1.21 0.00 0.00 61.69 60.91 2vxa s THR 60 Cb -0.15 -3.56 0.01 0.00 -1.51 0.00 0.00 72.50 67.29 2vxa s THR 60 CO -0.00 0.54 0.17 0.54 -2.21 0.00 0.00 174.62 173.66 2vxa s VAL 61 N -1.12 0.05 -0.14 5.08 0.11 0.14 -0.59 120.40 123.94 2vxa s VAL 61 Ca 0.21 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2vxa s VAL 61 Cb -0.14 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 2vxa s VAL 61 CO 0.10 -0.24 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.03 2vxa s LYS 62 N -0.87 3.46 -0.11 1.54 1.02 0.11 -1.29 119.74 123.60 2vxa s LYS 62 Ca -0.10 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.37 2vxa s LYS 62 Cb -0.05 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2vxa s LYS 62 CO 0.01 0.31 -0.23 0.08 -0.92 0.00 0.00 175.35 174.60 2vxa s VAL 63 N 0.17 2.13 -0.15 3.17 1.01 -0.24 -0.20 120.40 126.29 2vxa s VAL 63 Ca -0.03 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2vxa s VAL 63 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2vxa s VAL 63 CO 0.03 0.55 0.05 -0.83 0.00 0.00 0.00 175.10 174.90 2vxa s GLY 64 N 0.48 1.91 -0.04 4.51 0.00 0.11 -1.67 107.32 112.63 2vxa s GLY 64 Ca -0.15 -0.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.72 2vxa s GLY 64 CO 0.06 -0.18 0.23 -0.11 0.00 0.00 0.00 173.10 173.09 2vxa s PHE 65 N -0.17 -0.14 0.08 1.90 -0.71 -0.58 -0.63 117.98 117.74 2vxa s PHE 65 Ca 0.07 0.27 -0.31 0.00 -1.04 0.00 0.00 56.93 55.92 2vxa s PHE 65 Cb -0.12 0.05 -0.07 0.00 -1.21 0.00 0.00 43.02 41.67 2vxa s PHE 65 CO 0.01 -0.27 1.30 0.99 -1.34 0.00 0.00 175.22 175.91 2vxa s THR 66 N -0.86 3.67 -0.14 -4.49 2.01 -0.70 -0.98 115.64 114.15 2vxa s THR 66 Ca -0.09 1.19 -0.20 0.00 0.31 0.00 0.00 61.69 62.90 2vxa s THR 66 Cb -0.05 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2vxa s THR 66 CO 0.02 0.09 0.58 -0.76 -0.69 0.00 0.00 174.62 173.86 2vxa s LEU 67 N 1.13 4.23 0.00 4.42 1.43 -0.64 -4.74 118.68 124.52 2vxa s LEU 67 Ca 0.62 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2vxa s LEU 67 Cb -0.33 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.04 2vxa s LEU 67 CO 0.30 -0.13 0.00 -1.84 0.23 0.00 0.00 176.35 174.91 2vxa n GLU 68 N 4.24 0.00 0.00 1.70 -0.00 -1.26 -4.49 120.64 120.82 2vxa n GLU 68 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2vxa n GLU 68 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 2vxa n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54