#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxa n HIS 4 N 0.00 2.27 -5.18 -0.67 -0.00 -1.26 -5.01 115.22 105.37 2vxa n HIS 4 Ca 0.00 0.51 -0.32 0.00 -0.00 0.00 0.00 57.72 57.92 2vxa n HIS 4 Cb 0.00 -2.41 -0.16 0.00 -0.00 0.00 0.00 29.99 27.43 2vxa n HIS 4 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2vxa s VAL 5 N -1.15 2.26 0.16 1.59 1.01 -1.26 -5.08 120.40 117.93 2vxa s VAL 5 Ca 0.58 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.67 2vxa s VAL 5 Cb -0.53 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2vxa s VAL 5 CO 0.60 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.74 2vxa s TYR 6 N -0.23 2.39 -0.04 5.22 1.51 -1.26 -1.45 117.35 123.49 2vxa s TYR 6 Ca -0.01 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2vxa s TYR 6 Cb -0.13 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2vxa s TYR 6 CO 0.03 0.43 -0.14 0.21 -1.11 0.00 0.00 175.55 174.97 2vxa s LYS 7 N -2.40 2.48 -0.20 -0.62 2.20 -0.22 -4.91 119.74 116.07 2vxa s LYS 7 Ca 0.19 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2vxa s LYS 7 Cb -0.09 -2.38 -0.00 0.00 -1.51 0.00 0.00 37.83 33.85 2vxa s LYS 7 CO 0.09 0.62 -0.09 0.42 -0.36 0.00 0.00 175.35 176.04 2vxa s ILE 8 N -0.76 3.08 0.09 5.43 1.01 -1.26 -1.22 121.20 127.58 2vxa s ILE 8 Ca 0.12 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2vxa s ILE 8 Cb -0.11 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2vxa s ILE 8 CO 0.01 0.46 -0.12 0.68 0.00 0.00 0.00 174.94 175.97 2vxa s VAL 9 N 1.27 3.26 -0.24 2.92 -7.23 -0.57 -4.92 120.40 114.90 2vxa s VAL 9 Ca 0.03 -1.26 -0.09 0.00 -1.81 0.00 0.00 61.98 58.85 2vxa s VAL 9 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2vxa s VAL 9 CO -0.04 0.15 0.13 -0.70 -0.31 0.00 0.00 175.10 174.33 2vxa s GLU 10 N -2.07 3.93 0.08 4.82 2.12 -1.26 -1.02 118.70 125.31 2vxa s GLU 10 Ca 0.20 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.24 2vxa s GLU 10 Cb -0.11 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 2vxa s GLU 10 CO 0.12 -0.01 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.18 2vxa s LEU 11 N 1.22 2.31 -0.16 2.70 1.43 -0.07 -4.97 118.68 121.14 2vxa s LEU 11 Ca 0.06 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2vxa s LEU 11 Cb -0.14 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.62 2vxa s LEU 11 CO 0.05 -0.11 -0.10 0.28 0.23 0.00 0.00 176.35 176.70 2vxa s THR 12 N -1.53 1.44 0.22 5.49 -1.32 -1.26 0.43 115.64 119.11 2vxa s THR 12 Ca 0.00 -0.71 -0.06 0.00 -1.21 0.00 0.00 61.69 59.71 2vxa s THR 12 Cb -0.08 -1.47 -0.06 0.00 -1.51 0.00 0.00 72.50 69.38 2vxa s THR 12 CO 0.02 0.29 0.49 -0.83 -2.21 0.00 0.00 174.62 172.38 2vxa s GLY 13 N 1.51 2.10 0.06 6.08 0.00 -0.57 -4.89 107.32 111.62 2vxa s GLY 13 Ca 0.02 -0.49 0.08 0.00 0.00 0.00 0.00 44.72 44.34 2vxa s GLY 13 CO -0.09 -0.39 -0.23 -0.45 0.00 0.00 0.00 173.10 171.94 2vxa s SER 14 N -2.68 2.76 -0.27 1.64 0.15 -1.26 -1.47 113.70 112.57 2vxa s SER 14 Ca 0.44 -0.58 -0.23 0.00 0.70 0.00 0.00 55.95 56.27 2vxa s SER 14 Cb -0.11 -0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.06 2vxa s SER 14 CO 0.25 0.18 0.78 -0.55 1.20 0.00 0.00 173.24 175.10 2vxa s SER 15 N -1.37 -0.71 0.00 5.45 0.15 -0.60 -4.49 113.70 112.12 2vxa s SER 15 Ca 0.09 1.33 0.25 0.00 0.70 0.00 0.00 55.95 58.32 2vxa s SER 15 Cb -0.09 1.34 1.24 0.00 -1.71 0.00 0.00 66.02 66.80 2vxa s SER 15 CO 0.03 -0.23 1.82 -0.81 1.20 0.00 0.00 173.24 175.25 2vxa n PRO 16 N 2.86 0.35 -0.10 5.44 -0.04 -1.26 -0.03 135.00 142.23 2vxa n PRO 16 Ca -0.15 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 2vxa n PRO 16 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.28 2.01 0.00 3.54 3.02 -1.26 -4.84 115.26 116.45 2vxa n ASN 17 Ca 0.12 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2vxa n ASN 17 Cb 0.19 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 2.07 -1.09 0.10 7.41 0.00 -1.26 -5.01 105.19 107.41 2vxa n GLY 18 Ca -0.43 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 1.15 -0.57 -0.61 2.04 -1.94 -1.09 117.51 116.49 2vxa h ILE 19 Ca 0.00 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2vxa h ILE 19 Cb 0.00 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2vxa h ILE 19 CO 0.00 0.25 0.26 -0.33 0.00 0.00 0.00 178.15 178.32 2vxa h GLU 20 N -0.62 0.80 -0.27 2.37 3.07 -2.00 -1.47 114.58 116.46 2vxa h GLU 20 Ca -0.01 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.68 2vxa h GLU 20 Cb 0.50 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2vxa h GLU 20 CO 0.02 0.64 -0.06 0.93 -1.40 0.00 0.00 179.01 179.13 2vxa h GLU 21 N 0.80 0.52 -0.65 2.33 3.07 -1.93 -1.44 114.58 117.29 2vxa h GLU 21 Ca 0.20 -0.20 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 2vxa h GLU 21 Cb 0.11 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.91 2vxa h GLU 21 CO -0.02 0.73 0.27 0.00 -1.40 0.00 0.00 179.01 178.59 2vxa h ALA 22 N 0.78 0.87 -0.03 3.43 0.00 -0.81 -0.96 119.26 122.54 2vxa h ALA 22 Ca 0.07 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2vxa h ALA 22 Cb 0.54 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2vxa h ALA 22 CO 0.03 -0.15 -0.78 -0.39 0.00 0.00 0.00 179.25 177.95 2vxa h VAL 23 N 0.47 1.44 -0.87 0.00 -1.51 -1.02 -2.69 116.25 112.06 2vxa h VAL 23 Ca 0.33 -2.35 -0.02 0.00 -1.23 0.00 0.00 66.70 63.43 2vxa h VAL 23 Cb 0.40 2.28 -0.04 0.00 -2.13 0.00 0.00 31.29 31.80 2vxa h VAL 23 CO -0.30 0.69 0.48 0.78 -1.23 0.00 0.00 177.57 177.99 2vxa h ASN 24 N 0.17 1.09 -0.75 4.19 -0.26 -0.96 -0.63 115.58 118.42 2vxa h ASN 24 Ca -0.03 -0.10 -0.04 0.00 -0.56 0.00 0.00 56.30 55.57 2vxa h ASN 24 Cb 1.37 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 38.32 2vxa h ASN 24 CO 0.12 0.87 0.33 0.78 -1.06 0.00 0.00 177.43 178.48 2vxa h ASN 25 N 1.22 1.01 -0.59 5.81 -0.26 -1.04 0.24 115.58 121.98 2vxa h ASN 25 Ca 0.31 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.84 2vxa h ASN 25 Cb 0.02 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 2vxa h ASN 25 CO -0.05 0.88 0.15 0.00 -1.06 0.00 0.00 177.43 177.36 2vxa h ALA 26 N 1.17 0.77 -0.22 -0.83 0.00 -1.11 -1.75 119.26 117.29 2vxa h ALA 26 Ca 0.25 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2vxa h ALA 26 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2vxa h ALA 26 CO -0.03 0.47 -0.60 0.82 0.00 0.00 0.00 179.25 179.91 2vxa h ILE 27 N 0.84 1.30 0.05 0.00 2.04 -0.83 -2.11 117.51 118.80 2vxa h ILE 27 Ca 0.19 -1.82 0.03 0.00 1.00 0.00 0.00 64.86 64.25 2vxa h ILE 27 Cb 0.33 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2vxa h ILE 27 CO -0.00 0.58 -0.27 0.00 0.00 0.00 0.00 178.15 178.46 2vxa h ALA 28 N 0.78 -0.40 0.00 1.87 0.00 -0.48 -0.36 119.26 120.66 2vxa h ALA 28 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2vxa h ALA 28 Cb 1.19 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2vxa h ALA 28 CO 0.12 -0.79 -0.13 0.00 0.00 0.00 0.00 179.25 178.46 2vxa h ARG 29 N -0.44 0.00 -0.04 0.00 2.47 -1.25 -0.93 114.38 114.19 2vxa h ARG 29 Ca 0.05 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.57 2vxa h ARG 29 Cb 0.50 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2vxa h ARG 29 CO -0.20 0.13 -0.83 0.00 0.56 0.00 0.00 179.97 179.63 2vxa h ALA 30 N 1.87 0.48 -0.10 0.04 0.00 -1.14 -3.28 119.26 117.13 2vxa h ALA 30 Ca -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 2vxa h ALA 30 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2vxa h ALA 30 CO 0.02 0.79 -0.35 0.78 0.00 0.00 0.00 179.25 180.49 2vxa h GLY 31 N 1.28 0.22 0.99 0.00 0.00 0.31 0.33 103.07 106.20 2vxa h GLY 31 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.10 2vxa h GLY 31 CO 0.14 0.17 0.36 0.83 0.00 0.00 0.00 176.54 178.05 2vxa h GLU 32 N 0.17 0.72 0.00 4.80 5.08 -1.48 -3.36 114.58 120.52 2vxa h GLU 32 Ca 0.02 -0.04 -0.35 0.00 -1.00 0.00 0.00 59.36 57.99 2vxa h GLU 32 Cb 0.71 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2vxa h GLU 32 CO 0.05 0.48 -2.31 -2.37 -1.00 0.00 0.00 179.01 173.86 2vxa n THR 33 N -4.71 1.31 -3.58 1.13 5.66 -1.06 -5.00 114.28 108.04 2vxa n THR 33 Ca 0.04 -0.77 -0.22 0.00 -3.05 0.00 0.00 64.05 60.04 2vxa n THR 33 Cb 0.03 -0.60 -0.01 0.00 -1.55 0.00 0.00 70.33 68.20 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 -5.52 3.16 0.01 1.09 2.01 0.11 -5.13 118.68 114.42 2vxa s LEU 34 Ca -0.12 -0.90 -0.01 0.00 0.01 0.00 0.00 54.13 53.11 2vxa s LEU 34 Cb 0.06 -1.76 -0.01 0.00 0.01 0.00 0.00 46.19 44.49 2vxa s LEU 34 CO 0.75 -0.87 -0.00 0.00 1.01 0.00 0.00 176.35 177.24 2vxa s ARG 35 N -4.25 0.22 -0.72 1.70 1.70 -1.26 -4.56 118.95 111.78 2vxa s ARG 35 Ca 0.46 -0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 55.33 2vxa s ARG 35 Cb -0.03 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.43 2vxa s ARG 35 CO 0.27 -0.04 0.60 0.72 -1.08 0.00 0.00 175.30 175.78 2vxa n HIS 36 N 2.10 -1.35 -2.05 5.89 8.25 -1.26 -4.34 115.22 122.46 2vxa n HIS 36 Ca -0.20 0.56 -0.42 0.00 -0.26 0.00 0.00 57.72 57.40 2vxa n HIS 36 Cb 0.57 -3.74 -0.03 0.00 1.12 0.00 0.00 29.99 27.90 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 -4.58 4.35 -0.08 2.41 1.43 -1.26 -1.78 118.68 119.16 2vxa s LEU 37 Ca 0.05 2.36 -0.07 0.00 -1.03 0.00 0.00 54.13 55.45 2vxa s LEU 37 Cb -0.02 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 2vxa s LEU 37 CO 0.43 -0.80 -0.16 0.54 0.23 0.00 0.00 176.35 176.59 2vxa n ARG 38 N 5.18 0.25 -4.01 1.70 5.12 -0.18 -4.98 116.66 119.75 2vxa n ARG 38 Ca 0.14 0.11 -0.09 0.00 -1.93 0.00 0.00 57.85 56.08 2vxa n ARG 38 Cb 0.41 -0.92 -0.08 0.00 -1.16 0.00 0.00 32.46 30.71 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 -2.29 0.47 0.05 -1.55 -2.14 -1.09 -5.01 118.94 107.38 2vxa s TRP 39 Ca -0.15 -0.90 -0.00 0.00 2.66 0.00 0.00 56.10 57.70 2vxa s TRP 39 Cb 0.05 -0.24 -0.04 0.00 -3.10 0.00 0.00 33.47 30.14 2vxa s TRP 39 CO 0.20 -0.54 -0.04 -0.59 -2.66 0.00 0.00 176.95 173.32 2vxa s PHE 40 N -3.95 0.53 -0.04 1.66 -0.12 -1.26 0.24 117.98 115.04 2vxa s PHE 40 Ca 0.13 -0.95 0.02 0.00 -0.05 0.00 0.00 56.93 56.08 2vxa s PHE 40 Cb 0.06 -0.37 0.01 0.00 -0.63 0.00 0.00 43.02 42.09 2vxa s PHE 40 CO -0.05 -0.31 -0.07 -2.00 -0.05 0.00 0.00 175.22 172.74 2vxa s GLU 41 N -3.44 0.94 -0.16 1.99 2.12 0.49 -4.97 118.70 115.68 2vxa s GLU 41 Ca 0.03 -0.21 -0.29 0.00 0.36 0.00 0.00 54.97 54.86 2vxa s GLU 41 Cb 0.04 -0.89 -0.01 0.00 0.26 0.00 0.00 34.13 33.53 2vxa s GLU 41 CO -0.08 0.01 1.25 0.08 -0.54 0.00 0.00 175.26 175.98 2vxa s VAL 42 N 0.59 4.30 -0.57 3.70 1.01 -1.26 -0.22 120.40 127.95 2vxa s VAL 42 Ca -0.09 1.57 0.23 0.00 0.00 0.00 0.00 61.98 63.70 2vxa s VAL 42 Cb -0.12 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2vxa s VAL 42 CO 0.01 -0.13 1.16 0.55 0.00 0.00 0.00 175.10 176.69 2vxa n VAL 43 N 5.32 0.32 0.00 2.92 3.14 -0.13 -4.94 118.33 124.96 2vxa n VAL 43 Ca 0.14 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 2vxa n VAL 43 Cb 0.45 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 2vxa n VAL 43 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2vxa n ASP 44 N -2.13 0.00 -4.09 6.55 2.03 -1.18 -4.99 116.55 112.74 2vxa n ASP 44 Ca 0.02 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.03 2vxa n ASP 44 Cb 0.45 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.69 2vxa n ASP 44 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2vxa s THR 45 N -0.57 1.72 0.28 5.18 2.01 -1.26 -1.01 115.64 121.98 2vxa s THR 45 Ca 0.00 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2vxa s THR 45 Cb 0.00 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2vxa s THR 45 CO 0.00 0.48 0.10 0.54 -0.69 0.00 0.00 174.62 175.06 2vxa n ARG 46 N 4.24 0.69 -3.61 4.92 1.74 0.12 -5.00 116.66 119.75 2vxa n ARG 46 Ca -0.19 -2.33 -0.01 0.00 -0.77 0.00 0.00 57.85 54.55 2vxa n ARG 46 Cb 0.51 1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 33.22 2vxa n ARG 46 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2vxa s GLY 47 N -2.69 -0.36 -0.11 -0.13 0.00 -1.26 -1.04 107.32 101.73 2vxa s GLY 47 Ca 0.14 1.18 -0.08 0.00 0.00 0.00 0.00 44.72 45.96 2vxa s GLY 47 CO 0.10 0.33 0.17 -1.58 0.00 0.00 0.00 173.10 172.12 2vxa s HIS 48 N -2.33 3.61 -0.17 1.90 2.46 -0.48 -4.98 115.29 115.31 2vxa s HIS 48 Ca 0.12 0.58 -0.02 0.00 0.47 0.00 0.00 55.06 56.22 2vxa s HIS 48 Cb 0.03 -1.99 -0.01 0.00 -0.13 0.00 0.00 32.58 30.47 2vxa s HIS 48 CO -0.04 0.72 -0.08 0.42 -2.47 0.00 0.00 174.74 173.28 2vxa s ILE 49 N -1.01 3.32 -0.05 0.89 1.01 -1.26 -1.43 121.20 122.67 2vxa s ILE 49 Ca 0.16 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2vxa s ILE 49 Cb -0.13 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.90 2vxa s ILE 49 CO 0.05 0.48 -0.12 -0.70 0.00 0.00 0.00 174.94 174.65 2vxa s GLU 50 N 0.78 1.45 7.78 2.79 2.56 0.16 -4.90 118.70 129.32 2vxa s GLU 50 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 54.52 2vxa s GLU 50 Cb -0.15 -1.26 0.00 0.00 2.00 0.00 0.00 34.13 34.72 2vxa s GLU 50 CO 0.01 0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.23 2vxa n GLY 51 N 3.47 3.56 1.48 -1.50 0.00 -1.26 -1.77 105.19 109.17 2vxa n GLY 51 Ca -0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 5.58 3.12 -0.02 0.00 -1.26 -5.01 105.19 107.59 2vxa n GLY 52 Ca 0.00 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.43 0.68 0.01 1.61 1.70 -0.73 -5.12 118.95 113.67 2vxa s ARG 53 Ca 0.48 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 2vxa s ARG 53 Cb 0.41 -0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.32 2vxa s ARG 53 CO -0.00 0.07 1.45 0.08 -1.08 0.00 0.00 175.30 175.81 2vxa s VAL 54 N -1.85 3.60 -0.20 4.99 1.01 -1.26 0.39 120.40 127.07 2vxa s VAL 54 Ca -0.03 0.99 0.12 0.00 0.00 0.00 0.00 61.98 63.05 2vxa s VAL 54 Cb -0.07 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 2vxa s VAL 54 CO -0.00 -0.00 0.34 -0.46 0.00 0.00 0.00 175.10 174.97 2vxa n ASN 55 N 5.45 1.69 -3.74 3.32 6.94 -0.52 -4.86 115.26 123.55 2vxa n ASN 55 Ca 0.14 -0.27 -0.16 0.00 -0.02 0.00 0.00 54.58 54.26 2vxa n ASN 55 Cb 0.43 1.34 -0.16 0.00 -2.36 0.00 0.00 39.78 39.03 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 -2.54 -0.03 -0.15 -2.53 3.76 -1.22 -4.26 115.29 108.32 2vxa s HIS 56 Ca -0.01 0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 55.02 2vxa s HIS 56 Cb 0.08 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 2vxa s HIS 56 CO 0.48 -0.14 0.39 -1.58 -0.85 0.00 0.00 174.74 173.03 2vxa s TRP 57 N 1.42 3.47 -0.29 1.40 0.52 0.95 -1.39 118.94 125.02 2vxa s TRP 57 Ca -0.05 0.73 0.03 0.00 0.02 0.00 0.00 56.10 56.82 2vxa s TRP 57 Cb -0.12 -2.46 0.08 0.00 -1.15 0.00 0.00 33.47 29.81 2vxa s TRP 57 CO -0.04 0.16 -0.02 -0.65 0.02 0.00 0.00 176.95 176.42 2vxa s GLN 58 N 0.69 1.73 -0.24 4.98 -0.21 -0.21 -1.56 119.66 124.84 2vxa s GLN 58 Ca 0.21 -1.49 -0.05 0.00 0.02 0.00 0.00 55.36 54.05 2vxa s GLN 58 Cb -0.14 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 2vxa s GLN 58 CO 0.07 -0.75 0.01 0.08 -2.12 0.00 0.00 175.29 172.58 2vxa s VAL 59 N 1.10 3.68 0.08 1.09 1.01 -0.54 0.11 120.40 126.94 2vxa s VAL 59 Ca 0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2vxa s VAL 59 Cb -0.19 -2.74 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 2vxa s VAL 59 CO -0.08 0.33 0.45 0.28 0.00 0.00 0.00 175.10 176.08 2vxa s THR 60 N 1.51 4.99 -0.06 3.92 -1.32 -0.18 -1.50 115.64 122.99 2vxa s THR 60 Ca 0.05 0.68 -0.09 0.00 -1.21 0.00 0.00 61.69 61.12 2vxa s THR 60 Cb -0.15 -3.70 0.02 0.00 -1.51 0.00 0.00 72.50 67.16 2vxa s THR 60 CO -0.01 0.35 0.24 0.54 -2.21 0.00 0.00 174.62 173.53 2vxa s VAL 61 N -1.33 0.02 -0.21 5.08 0.11 0.17 -0.95 120.40 123.29 2vxa s VAL 61 Ca 0.32 -0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 2vxa s VAL 61 Cb -0.15 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2vxa s VAL 61 CO 0.17 -0.11 0.05 -0.54 -3.33 0.00 0.00 175.10 171.34 2vxa s LYS 62 N -0.38 3.78 -0.17 1.54 1.02 0.69 -0.89 119.74 125.32 2vxa s LYS 62 Ca -0.05 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.48 2vxa s LYS 62 Cb -0.03 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 2vxa s LYS 62 CO 0.01 0.07 -0.07 0.08 -0.92 0.00 0.00 175.35 174.52 2vxa s VAL 63 N 0.90 3.38 -0.17 3.17 1.01 -0.19 -0.38 120.40 128.13 2vxa s VAL 63 Ca 0.03 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2vxa s VAL 63 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2vxa s VAL 63 CO 0.02 0.47 0.12 -0.83 0.00 0.00 0.00 175.10 174.89 2vxa s GLY 64 N 0.83 2.06 -0.01 4.51 0.00 0.14 -1.51 107.32 113.35 2vxa s GLY 64 Ca -0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 44.72 43.96 2vxa s GLY 64 CO 0.01 -0.07 0.11 -0.11 0.00 0.00 0.00 173.10 173.04 2vxa s PHE 65 N -0.17 0.03 0.14 1.90 -0.71 -0.35 -1.01 117.98 117.82 2vxa s PHE 65 Ca 0.10 -0.09 -0.30 0.00 -1.04 0.00 0.00 56.93 55.60 2vxa s PHE 65 Cb -0.11 -0.05 -0.07 0.00 -1.21 0.00 0.00 43.02 41.57 2vxa s PHE 65 CO 0.00 -0.23 1.22 0.99 -1.34 0.00 0.00 175.22 175.87 2vxa s THR 66 N -1.10 3.66 -0.20 -4.49 2.01 -0.74 -1.06 115.64 113.73 2vxa s THR 66 Ca -0.12 1.30 -0.16 0.00 0.31 0.00 0.00 61.69 63.03 2vxa s THR 66 Cb -0.07 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2vxa s THR 66 CO 0.01 0.16 0.39 -0.76 -0.69 0.00 0.00 174.62 173.73 2vxa s LEU 67 N 0.31 4.16 0.00 4.42 1.43 -0.53 -4.72 118.68 123.75 2vxa s LEU 67 Ca 0.56 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2vxa s LEU 67 Cb -0.32 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2vxa s LEU 67 CO 0.34 -0.06 0.00 -1.84 0.23 0.00 0.00 176.35 175.01 2vxa n GLU 68 N 4.41 0.00 0.00 1.70 -0.00 -1.26 -4.43 120.64 121.06 2vxa n GLU 68 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.07 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