#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 2.98 -0.02 2.11 -0.00 -1.26 -5.10 115.29 114.00 2vxa s HIS 4 Ca 0.00 1.20 0.01 0.00 -0.00 0.00 0.00 55.06 56.27 2vxa s HIS 4 Cb 0.00 -3.05 0.01 0.00 -0.00 0.00 0.00 32.58 29.54 2vxa s HIS 4 CO 0.00 -1.54 -0.03 0.08 -0.00 0.00 0.00 174.74 173.24 2vxa s VAL 5 N -3.16 0.38 0.15 -5.38 1.01 -1.26 -5.11 120.40 107.03 2vxa s VAL 5 Ca 0.60 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.57 2vxa s VAL 5 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2vxa s VAL 5 CO 0.54 0.15 -0.20 -0.31 0.00 0.00 0.00 175.10 175.28 2vxa s TYR 6 N 0.51 2.45 0.03 5.22 1.51 -1.26 -1.15 117.35 124.65 2vxa s TYR 6 Ca -0.06 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.77 2vxa s TYR 6 Cb -0.09 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2vxa s TYR 6 CO -0.00 0.42 -0.18 0.21 -1.11 0.00 0.00 175.55 174.88 2vxa s LYS 7 N -2.35 2.11 -0.19 -0.62 2.20 -0.11 -4.89 119.74 115.88 2vxa s LYS 7 Ca 0.19 -0.96 -0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2vxa s LYS 7 Cb -0.10 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 2vxa s LYS 7 CO 0.10 0.55 -0.16 0.42 -0.36 0.00 0.00 175.35 175.90 2vxa s ILE 8 N -0.89 2.41 0.10 5.43 1.01 -1.26 -1.04 121.20 126.95 2vxa s ILE 8 Ca 0.14 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.05 2vxa s ILE 8 Cb -0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2vxa s ILE 8 CO 0.05 0.51 -0.14 0.68 0.00 0.00 0.00 174.94 176.03 2vxa s VAL 9 N 1.31 3.10 -0.27 2.92 -7.23 -0.29 -4.90 120.40 115.04 2vxa s VAL 9 Ca 0.05 -1.35 -0.10 0.00 -1.81 0.00 0.00 61.98 58.77 2vxa s VAL 9 Cb -0.13 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2vxa s VAL 9 CO -0.10 0.13 0.15 -0.70 -0.31 0.00 0.00 175.10 174.28 2vxa s GLU 10 N -2.10 3.86 0.10 4.82 2.12 -1.26 -0.64 118.70 125.61 2vxa s GLU 10 Ca 0.19 -0.37 0.07 0.00 0.36 0.00 0.00 54.97 55.22 2vxa s GLU 10 Cb -0.11 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 2vxa s GLU 10 CO 0.11 -0.18 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.96 2vxa s LEU 11 N 1.72 2.32 -0.23 2.70 1.43 -0.29 -4.97 118.68 121.36 2vxa s LEU 11 Ca 0.07 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2vxa s LEU 11 Cb -0.16 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.37 2vxa s LEU 11 CO 0.09 -0.01 -0.12 0.28 0.23 0.00 0.00 176.35 176.81 2vxa s THR 12 N -1.42 1.98 0.24 5.49 -1.32 -1.26 0.50 115.64 119.85 2vxa s THR 12 Ca 0.06 -1.33 -0.19 0.00 -1.21 0.00 0.00 61.69 59.01 2vxa s THR 12 Cb -0.09 -2.03 -0.08 0.00 -1.51 0.00 0.00 72.50 68.78 2vxa s THR 12 CO 0.04 0.12 0.74 -0.83 -2.21 0.00 0.00 174.62 172.47 2vxa s GLY 13 N 1.23 2.58 0.12 6.08 0.00 -0.44 -4.89 107.32 112.00 2vxa s GLY 13 Ca -0.04 0.17 0.10 0.00 0.00 0.00 0.00 44.72 44.94 2vxa s GLY 13 CO -0.07 0.51 -0.23 -0.45 0.00 0.00 0.00 173.10 172.85 2vxa s SER 14 N -1.73 3.54 -0.29 1.64 0.15 -1.25 -1.68 113.70 114.08 2vxa s SER 14 Ca 0.45 -0.66 -0.19 0.00 0.70 0.00 0.00 55.95 56.25 2vxa s SER 14 Cb -0.16 -0.36 0.14 0.00 -1.71 0.00 0.00 66.02 63.93 2vxa s SER 14 CO 0.21 0.19 1.01 -0.55 1.20 0.00 0.00 173.24 175.29 2vxa s SER 15 N -2.01 -0.47 0.00 5.45 0.15 -0.92 -4.48 113.70 111.41 2vxa s SER 15 Ca 0.15 0.81 0.23 0.00 0.70 0.00 0.00 55.95 57.84 2vxa s SER 15 Cb -0.10 1.06 1.22 0.00 -1.71 0.00 0.00 66.02 66.49 2vxa s SER 15 CO 0.07 -0.13 1.75 -0.81 1.20 0.00 0.00 173.24 175.32 2vxa n PRO 16 N 3.15 0.45 -0.10 5.44 -0.04 -1.26 -0.60 135.00 142.03 2vxa n PRO 16 Ca -0.16 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2vxa n PRO 16 Cb 0.57 -1.50 -0.14 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 -1.20 0.93 0.00 3.54 3.02 -1.26 -4.84 115.26 115.45 2vxa n ASN 17 Ca 0.13 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2vxa n ASN 17 Cb 0.15 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 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 2.00 -0.83 0.19 7.41 0.00 -1.26 -4.99 105.19 107.71 2vxa n GLY 18 Ca -0.35 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 0.61 -0.75 -0.61 2.04 -1.93 -1.31 117.51 115.56 2vxa h ILE 19 Ca 0.00 -0.78 0.11 0.00 1.00 0.00 0.00 64.86 65.19 2vxa h ILE 19 Cb 0.00 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2vxa h ILE 19 CO 0.00 0.13 0.49 -0.33 0.00 0.00 0.00 178.15 178.44 2vxa h GLU 20 N -0.88 0.59 -0.18 2.37 3.07 -2.00 -1.69 114.58 115.86 2vxa h GLU 20 Ca -0.04 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2vxa h GLU 20 Cb 0.52 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2vxa h GLU 20 CO 0.07 0.39 -0.19 0.93 -1.40 0.00 0.00 179.01 178.80 2vxa h GLU 21 N 0.60 0.45 -0.94 2.33 3.07 -1.92 -2.07 114.58 116.10 2vxa h GLU 21 Ca 0.35 -0.24 0.04 0.00 -0.50 0.00 0.00 59.36 59.01 2vxa h GLU 21 Cb 0.55 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 2vxa h GLU 21 CO -0.13 0.82 0.61 0.00 -1.40 0.00 0.00 179.01 178.91 2vxa h ALA 22 N 0.62 1.25 -0.19 3.43 0.00 -0.37 -1.09 119.26 122.92 2vxa h ALA 22 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2vxa h ALA 22 Cb 0.74 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2vxa h ALA 22 CO 0.05 0.47 -0.47 -0.39 0.00 0.00 0.00 179.25 178.90 2vxa h VAL 23 N 1.17 1.32 -0.90 0.00 -1.51 -1.32 -2.66 116.25 112.35 2vxa h VAL 23 Ca 0.38 -1.71 0.11 0.00 -1.23 0.00 0.00 66.70 64.26 2vxa h VAL 23 Cb 0.03 1.89 -0.08 0.00 -2.13 0.00 0.00 31.29 31.00 2vxa h VAL 23 CO -0.13 0.53 0.54 0.78 -1.23 0.00 0.00 177.57 178.06 2vxa h ASN 24 N 0.35 0.77 -0.85 4.19 -0.26 -1.08 0.25 115.58 118.95 2vxa h ASN 24 Ca -0.00 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 2vxa h ASN 24 Cb 1.09 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.21 2vxa h ASN 24 CO 0.10 0.41 0.50 0.78 -1.06 0.00 0.00 177.43 178.17 2vxa h ASN 25 N 0.86 1.03 -0.55 5.81 -0.26 -1.16 0.20 115.58 121.51 2vxa h ASN 25 Ca 0.45 -0.07 -0.07 0.00 -0.56 0.00 0.00 56.30 56.05 2vxa h ASN 25 Cb 0.45 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 2vxa h ASN 25 CO -0.27 0.80 0.08 0.00 -1.06 0.00 0.00 177.43 176.98 2vxa h ALA 26 N 1.27 0.73 -0.11 -0.83 0.00 -0.39 -1.53 119.26 118.40 2vxa h ALA 26 Ca 0.30 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2vxa h ALA 26 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2vxa h ALA 26 CO -0.06 0.49 -0.72 0.82 0.00 0.00 0.00 179.25 179.78 2vxa h ILE 27 N 0.81 1.35 0.15 0.00 2.04 -0.38 -1.65 117.51 119.83 2vxa h ILE 27 Ca 0.17 -2.06 0.01 0.00 1.00 0.00 0.00 64.86 63.97 2vxa h ILE 27 Cb 0.43 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2vxa h ILE 27 CO 0.01 0.63 -0.19 0.00 0.00 0.00 0.00 178.15 178.61 2vxa h ALA 28 N 0.85 -0.35 0.00 1.87 0.00 -0.52 -0.94 119.26 120.16 2vxa h ALA 28 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2vxa h ALA 28 Cb 1.31 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2vxa h ALA 28 CO 0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 179.25 178.58 2vxa h ARG 29 N -0.39 0.00 -0.03 0.00 2.47 -1.14 -1.85 114.38 113.44 2vxa h ARG 29 Ca 0.01 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.47 2vxa h ARG 29 Cb 0.38 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2vxa h ARG 29 CO -0.07 0.08 -0.99 0.00 0.56 0.00 0.00 179.97 179.55 2vxa h ALA 30 N 1.92 0.17 0.00 0.04 0.00 -1.12 -3.29 119.26 116.99 2vxa h ALA 30 Ca -0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 2vxa h ALA 30 Cb 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2vxa h ALA 30 CO 0.01 0.69 -0.21 0.78 0.00 0.00 0.00 179.25 180.52 2vxa h GLY 31 N 0.46 0.00 0.98 0.00 0.00 -0.36 0.37 103.07 104.52 2vxa h GLY 31 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2vxa h GLY 31 CO 0.20 0.00 0.27 0.83 0.00 0.00 0.00 176.54 177.83 2vxa h GLU 32 N 0.00 0.72 0.00 4.80 5.08 -1.51 -3.36 114.58 120.31 2vxa h GLU 32 Ca -0.00 -0.09 -0.32 0.00 -1.00 0.00 0.00 59.36 57.95 2vxa h GLU 32 Cb 0.41 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2vxa h GLU 32 CO 0.03 0.57 -2.24 -2.37 -1.00 0.00 0.00 179.01 174.00 2vxa n THR 33 N -4.63 1.19 -3.69 1.13 5.66 -1.05 -5.00 114.28 107.88 2vxa n THR 33 Ca 0.02 -0.76 -0.23 0.00 -3.05 0.00 0.00 64.05 60.03 2vxa n THR 33 Cb 0.09 -0.48 -0.01 0.00 -1.55 0.00 0.00 70.33 68.38 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 -5.29 3.04 0.01 1.09 2.01 0.13 -5.13 118.68 114.53 2vxa s LEU 34 Ca -0.09 -1.00 -0.01 0.00 0.01 0.00 0.00 54.13 53.04 2vxa s LEU 34 Cb 0.06 -1.59 -0.01 0.00 0.01 0.00 0.00 46.19 44.66 2vxa s LEU 34 CO 0.76 -0.91 0.01 0.00 1.01 0.00 0.00 176.35 177.21 2vxa s ARG 35 N -4.23 0.22 -0.80 1.70 1.70 -1.26 -4.54 118.95 111.74 2vxa s ARG 35 Ca 0.43 -0.34 -0.03 0.00 -0.47 0.00 0.00 55.73 55.32 2vxa s ARG 35 Cb -0.02 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2vxa s ARG 35 CO 0.26 -0.04 0.69 0.72 -1.08 0.00 0.00 175.30 175.84 2vxa n HIS 36 N 2.14 -1.58 -1.87 5.89 8.25 -1.26 -4.32 115.22 122.45 2vxa n HIS 36 Ca -0.19 0.62 -0.42 0.00 -0.26 0.00 0.00 57.72 57.46 2vxa n HIS 36 Cb 0.57 -3.77 -0.03 0.00 1.12 0.00 0.00 29.99 27.88 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 -4.86 4.37 -0.17 2.41 1.43 -1.26 -1.91 118.68 118.69 2vxa s LEU 37 Ca 0.17 2.53 -0.08 0.00 -1.03 0.00 0.00 54.13 55.72 2vxa s LEU 37 Cb -0.07 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 2vxa s LEU 37 CO 0.46 -0.93 -0.21 0.54 0.23 0.00 0.00 176.35 176.44 2vxa n ARG 38 N 5.91 0.35 -3.95 1.70 5.12 0.15 -4.98 116.66 120.95 2vxa n ARG 38 Ca 0.17 0.15 -0.10 0.00 -1.93 0.00 0.00 57.85 56.14 2vxa n ARG 38 Cb 0.40 -1.09 -0.07 0.00 -1.16 0.00 0.00 32.46 30.55 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 -2.30 0.37 0.10 -1.55 -2.14 -1.10 -5.01 118.94 107.31 2vxa s TRP 39 Ca -0.23 -0.74 -0.01 0.00 2.66 0.00 0.00 56.10 57.78 2vxa s TRP 39 Cb 0.09 -0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.38 2vxa s TRP 39 CO 0.29 -0.73 0.02 -0.59 -2.66 0.00 0.00 176.95 173.28 2vxa s PHE 40 N -3.96 0.75 -0.02 1.66 -0.12 -1.26 0.05 117.98 115.08 2vxa s PHE 40 Ca 0.17 -1.15 0.01 0.00 -0.05 0.00 0.00 56.93 55.91 2vxa s PHE 40 Cb 0.03 -0.46 0.01 0.00 -0.63 0.00 0.00 43.02 41.98 2vxa s PHE 40 CO -0.00 -0.44 -0.04 -2.00 -0.05 0.00 0.00 175.22 172.69 2vxa s GLU 41 N -3.99 0.52 -0.17 1.99 2.12 0.61 -4.96 118.70 114.82 2vxa s GLU 41 Ca 0.17 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.11 2vxa s GLU 41 Cb 0.08 -0.56 -0.00 0.00 0.26 0.00 0.00 34.13 33.90 2vxa s GLU 41 CO -0.03 -0.00 1.08 0.08 -0.54 0.00 0.00 175.26 175.85 2vxa s VAL 42 N 0.46 4.60 -0.55 3.70 1.01 -1.26 0.50 120.40 128.86 2vxa s VAL 42 Ca -0.05 1.91 0.22 0.00 0.00 0.00 0.00 61.98 64.06 2vxa s VAL 42 Cb -0.09 -4.23 -0.16 0.00 0.00 0.00 0.00 36.38 31.90 2vxa s VAL 42 CO -0.00 -0.10 0.92 0.55 0.00 0.00 0.00 175.10 176.47 2vxa n VAL 43 N 5.04 0.14 0.00 2.92 3.14 0.40 -4.94 118.33 125.03 2vxa n VAL 43 Ca 0.11 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2vxa n VAL 43 Cb 0.47 0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.49 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 -1.99 0.00 -4.07 6.55 2.03 -1.19 -5.00 116.55 112.88 2vxa n ASP 44 Ca 0.01 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.01 2vxa n ASP 44 Cb 0.45 0.00 -0.16 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 -0.29 1.80 0.42 5.18 2.01 -1.26 -0.54 115.64 122.97 2vxa s THR 45 Ca 0.00 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.26 2vxa s THR 45 Cb 0.00 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2vxa s THR 45 CO 0.00 0.50 0.14 -0.13 -0.69 0.00 0.00 174.62 174.44 2vxa s ARG 46 N 1.33 1.96 -0.08 4.92 0.52 0.68 -4.99 118.95 123.29 2vxa s ARG 46 Ca 0.04 -2.20 -0.32 0.00 -0.52 0.00 0.00 55.73 52.73 2vxa s ARG 46 Cb -0.13 -0.59 0.12 0.00 0.52 0.00 0.00 34.95 34.87 2vxa s ARG 46 CO -0.11 -0.51 1.05 0.20 0.02 0.00 0.00 175.30 175.96 2vxa s GLY 47 N -3.62 -0.38 -0.11 -3.53 0.00 -1.26 -0.23 107.32 98.19 2vxa s GLY 47 Ca 0.23 1.23 -0.06 0.00 0.00 0.00 0.00 44.72 46.12 2vxa s GLY 47 CO 0.15 0.40 0.11 -1.58 0.00 0.00 0.00 173.10 172.18 2vxa s HIS 48 N -2.78 3.52 -0.18 1.90 2.46 -0.59 -4.98 115.29 114.63 2vxa s HIS 48 Ca 0.08 0.46 -0.03 0.00 0.47 0.00 0.00 55.06 56.04 2vxa s HIS 48 Cb -0.01 -1.91 -0.01 0.00 -0.13 0.00 0.00 32.58 30.52 2vxa s HIS 48 CO -0.06 0.69 -0.07 0.42 -2.47 0.00 0.00 174.74 173.24 2vxa s ILE 49 N -1.01 3.39 -0.05 0.89 1.01 -1.26 -1.59 121.20 122.58 2vxa s ILE 49 Ca 0.15 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2vxa s ILE 49 Cb -0.12 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2vxa s ILE 49 CO 0.04 0.47 -0.14 -0.70 0.00 0.00 0.00 174.94 174.62 2vxa s GLU 50 N 0.84 1.60 6.89 2.79 2.56 0.12 -4.90 118.70 128.61 2vxa s GLU 50 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.97 54.47 2vxa s GLU 50 Cb -0.15 -1.37 0.00 0.00 2.00 0.00 0.00 34.13 34.61 2vxa s GLU 50 CO 0.01 0.14 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 2vxa n GLY 51 N 3.42 2.86 1.73 -1.50 0.00 -1.26 -1.79 105.19 108.64 2vxa n GLY 51 Ca -0.20 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 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 5.85 3.03 -0.02 0.00 -1.26 -5.02 105.19 107.78 2vxa n GLY 52 Ca 0.00 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.52 0.45 -0.06 1.61 1.70 -0.74 -5.12 118.95 113.27 2vxa s ARG 53 Ca 0.50 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.64 2vxa s ARG 53 Cb 0.42 0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2vxa s ARG 53 CO 0.01 -0.04 1.37 0.08 -1.08 0.00 0.00 175.30 175.64 2vxa s VAL 54 N -2.14 3.93 -0.18 4.99 1.01 -1.26 0.14 120.40 126.89 2vxa s VAL 54 Ca -0.08 1.23 0.15 0.00 0.00 0.00 0.00 61.98 63.28 2vxa s VAL 54 Cb -0.05 -3.79 -0.21 0.00 0.00 0.00 0.00 36.38 32.33 2vxa s VAL 54 CO -0.03 -0.05 0.39 -0.46 0.00 0.00 0.00 175.10 174.96 2vxa n ASN 55 N 5.94 1.38 -3.76 3.32 6.94 -0.62 -4.88 115.26 123.57 2vxa n ASN 55 Ca 0.14 -0.20 -0.18 0.00 -0.02 0.00 0.00 54.58 54.31 2vxa n ASN 55 Cb 0.44 1.51 -0.17 0.00 -2.36 0.00 0.00 39.78 39.21 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 -2.87 0.23 -0.18 -2.53 3.76 -1.21 -4.17 115.29 108.32 2vxa s HIS 56 Ca -0.03 0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.80 2vxa s HIS 56 Cb 0.10 -0.45 -0.04 0.00 1.11 0.00 0.00 32.58 33.30 2vxa s HIS 56 CO 0.61 -0.16 0.41 -1.58 -0.85 0.00 0.00 174.74 173.16 2vxa s TRP 57 N 1.48 3.41 -0.32 1.40 0.52 0.23 -1.55 118.94 124.11 2vxa s TRP 57 Ca -0.03 0.68 0.03 0.00 0.02 0.00 0.00 56.10 56.79 2vxa s TRP 57 Cb -0.13 -2.52 0.09 0.00 -1.15 0.00 0.00 33.47 29.77 2vxa s TRP 57 CO -0.03 0.05 0.03 -0.65 0.02 0.00 0.00 176.95 176.37 2vxa s GLN 58 N 1.11 1.52 -0.28 4.98 -0.21 0.68 -2.17 119.66 125.28 2vxa s GLN 58 Ca 0.20 -1.70 -0.10 0.00 0.02 0.00 0.00 55.36 53.79 2vxa s GLN 58 Cb -0.15 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2vxa s GLN 58 CO 0.08 -0.88 0.15 0.08 -2.12 0.00 0.00 175.29 172.60 2vxa s VAL 59 N 1.01 4.90 0.02 1.09 1.01 -0.68 -0.23 120.40 127.53 2vxa s VAL 59 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 2vxa s VAL 59 Cb -0.19 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2vxa s VAL 59 CO -0.09 0.24 0.38 0.28 0.00 0.00 0.00 175.10 175.91 2vxa s THR 60 N 1.69 5.10 0.00 3.92 -1.32 0.30 -1.33 115.64 124.01 2vxa s THR 60 Ca 0.06 0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 61.11 2vxa s THR 60 Cb -0.16 -3.65 -0.01 0.00 -1.51 0.00 0.00 72.50 67.17 2vxa s THR 60 CO 0.08 0.45 0.06 0.54 -2.21 0.00 0.00 174.62 173.55 2vxa s VAL 61 N -1.22 0.08 -0.17 5.08 0.11 0.18 -0.45 120.40 124.01 2vxa s VAL 61 Ca 0.27 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 2vxa s VAL 61 Cb -0.15 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 2vxa s VAL 61 CO 0.15 -0.37 -0.03 -0.54 -3.33 0.00 0.00 175.10 170.98 2vxa s LYS 62 N -1.18 3.62 -0.14 1.54 1.02 0.18 -1.14 119.74 123.64 2vxa s LYS 62 Ca -0.13 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.32 2vxa s LYS 62 Cb -0.07 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2vxa s LYS 62 CO 0.00 0.14 -0.13 0.08 -0.92 0.00 0.00 175.35 174.53 2vxa s VAL 63 N 0.64 3.04 -0.19 3.17 1.01 0.19 -0.29 120.40 127.97 2vxa s VAL 63 Ca -0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2vxa s VAL 63 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2vxa s VAL 63 CO 0.02 0.52 0.04 -0.83 0.00 0.00 0.00 175.10 174.85 2vxa s GLY 64 N 0.47 1.83 0.02 4.51 0.00 0.11 -1.14 107.32 113.12 2vxa s GLY 64 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2vxa s GLY 64 CO 0.04 0.11 -0.03 -0.11 0.00 0.00 0.00 173.10 173.11 2vxa s PHE 65 N 0.59 0.26 0.06 1.90 -0.71 -0.21 -0.68 117.98 119.19 2vxa s PHE 65 Ca 0.02 -0.45 -0.31 0.00 -1.04 0.00 0.00 56.93 55.15 2vxa s PHE 65 Cb -0.13 -0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.43 2vxa s PHE 65 CO 0.02 -0.15 1.34 0.99 -1.34 0.00 0.00 175.22 176.07 2vxa s THR 66 N -1.24 3.65 -0.13 -4.49 2.01 -0.80 -0.94 115.64 113.71 2vxa s THR 66 Ca -0.13 1.14 -0.24 0.00 0.31 0.00 0.00 61.69 62.77 2vxa s THR 66 Cb -0.09 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2vxa s THR 66 CO -0.01 0.06 0.74 -0.76 -0.69 0.00 0.00 174.62 173.96 2vxa s LEU 67 N 1.55 4.23 0.00 4.42 1.43 -0.30 -4.75 118.68 125.26 2vxa s LEU 67 Ca 0.63 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2vxa s LEU 67 Cb -0.33 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2vxa s LEU 67 CO 0.28 -0.25 0.00 -1.84 0.23 0.00 0.00 176.35 174.77 2vxa n GLU 68 N 4.55 0.00 0.00 1.70 -0.00 -1.26 -4.50 120.64 121.12 2vxa n GLU 68 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 2vxa n GLU 68 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 2vxa n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54