#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xax s VAL 4 N 0.00 4.01 0.10 0.44 0.11 0.57 -0.01 120.40 125.61 1xax s VAL 4 Ca 0.00 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1xax s VAL 4 Cb 0.00 -4.90 -0.04 0.00 -1.53 0.00 0.00 36.38 29.91 1xax s VAL 4 CO 0.00 -1.77 0.20 -0.22 -3.33 0.00 0.00 175.10 169.98 1xax s LEU 5 N 4.85 4.19 0.12 2.54 0.20 0.21 -4.88 118.68 125.91 1xax s LEU 5 Ca 0.35 0.15 -0.02 0.00 0.69 0.00 0.00 54.13 55.30 1xax s LEU 5 Cb -0.07 -2.80 -0.04 0.00 -0.43 0.00 0.00 46.19 42.86 1xax s LEU 5 CO 0.04 0.13 0.07 0.68 -0.29 0.00 0.00 176.35 176.98 1xax s VAL 6 N -1.58 0.11 -0.40 1.68 -7.23 -1.26 0.10 120.40 111.82 1xax s VAL 6 Ca 0.33 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 1xax s VAL 6 Cb -0.12 -1.95 0.16 0.00 0.56 0.00 0.00 36.38 35.04 1xax s VAL 6 CO 0.26 -0.51 0.44 -1.81 -0.31 0.00 0.00 175.10 173.17 1xax s ASP 7 N -3.02 0.67 -0.20 4.85 1.01 0.67 -4.87 116.67 115.78 1xax s ASP 7 Ca 0.21 -1.84 -0.18 0.00 0.71 0.00 0.00 52.55 51.45 1xax s ASP 7 Cb 0.07 0.66 -0.03 0.00 1.01 0.00 0.00 42.92 44.62 1xax s ASP 7 CO -0.00 -0.21 0.49 -0.22 0.21 0.00 0.00 175.17 175.45 1xax s LEU 8 N 1.11 4.14 0.04 1.23 1.98 -1.23 0.12 118.68 126.07 1xax s LEU 8 Ca 0.22 0.64 -0.00 0.00 -2.89 0.00 0.00 54.13 52.10 1xax s LEU 8 Cb -0.09 -2.67 -0.03 0.00 0.66 0.00 0.00 46.19 44.06 1xax s LEU 8 CO -0.06 -0.16 -0.04 0.00 -1.89 0.00 0.00 176.35 174.20 1xax s GLN 9 N 1.59 0.49 0.19 1.98 -2.07 0.29 -4.68 119.66 117.47 1xax s GLN 9 Ca 0.23 -0.93 0.07 0.00 -1.82 0.00 0.00 55.36 52.91 1xax s GLN 9 Cb -0.15 0.10 -0.04 0.00 -1.09 0.00 0.00 33.01 31.82 1xax s GLN 9 CO 0.09 -0.06 0.04 -1.50 -1.32 0.00 0.00 175.29 172.54 1xax s ILE 10 N -2.65 3.87 0.00 3.63 2.07 -1.26 -0.23 121.20 126.63 1xax s ILE 10 Ca -0.04 -1.44 0.05 0.00 -1.41 0.00 0.00 60.65 57.81 1xax s ILE 10 Cb -0.01 -2.98 0.09 0.00 0.13 0.00 0.00 42.46 39.68 1xax s ILE 10 CO -0.05 -0.17 0.89 0.00 -1.91 0.00 0.00 174.94 173.70 1xax n ALA 11 N -0.38 2.39 -2.14 1.50 0.00 0.75 -4.86 120.51 117.76 1xax n ALA 11 Ca -0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 53.44 52.36 1xax n ALA 11 Cb 0.56 -0.38 0.03 0.00 0.00 0.00 0.00 19.45 19.66 1xax n ALA 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xax n THR 12 N 0.10 0.00 -0.12 0.00 -2.24 -1.25 -4.36 114.28 106.41 1xax n THR 12 Ca -0.04 -0.34 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 1xax n THR 12 Cb 0.74 -1.37 -0.11 0.00 -2.10 0.00 0.00 70.33 67.49 1xax n THR 12 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xax n GLU 13 N -1.46 0.60 -3.66 -0.78 2.13 -1.26 -5.01 120.64 111.20 1xax n GLU 13 Ca 0.04 0.34 -0.11 0.00 0.66 0.00 0.00 57.16 58.09 1xax n GLU 13 Cb 0.14 -1.58 -0.08 0.00 0.27 0.00 0.00 31.44 30.19 1xax n GLU 13 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xax s ASN 14 N -7.21 -0.74 0.23 4.31 4.22 -1.26 -5.18 114.94 109.31 1xax s ASN 14 Ca -0.35 1.32 0.00 0.00 -2.14 0.00 0.00 52.86 51.69 1xax s ASN 14 Cb 0.11 1.27 -0.04 0.00 1.28 0.00 0.00 41.25 43.87 1xax s ASN 14 CO 0.54 -0.22 0.12 0.27 -2.04 0.00 0.00 177.10 175.77 1xax s ILE 15 N 0.90 0.21 -1.44 0.54 -5.25 -1.26 -5.04 121.20 109.86 1xax s ILE 15 Ca -0.05 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 57.52 1xax s ILE 15 Cb -0.05 -2.55 -0.09 0.00 2.95 0.00 0.00 42.46 42.72 1xax s ILE 15 CO -0.08 0.00 2.97 1.21 -1.79 0.00 0.00 174.94 177.26 1xax n GLU 16 N -0.35 3.62 0.00 0.37 2.13 -1.26 -4.57 120.64 120.57 1xax n GLU 16 Ca 0.01 -2.21 0.00 0.00 0.66 0.00 0.00 57.16 55.63 1xax n GLU 16 Cb 0.66 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.67 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xax n GLY 17 N 3.28 0.67 3.59 8.31 0.00 -1.26 -4.98 105.19 114.80 1xax n GLY 17 Ca 0.74 -0.84 -0.51 0.00 0.00 0.00 0.00 46.02 45.41 1xax n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xax n LEU 18 N 0.00 2.68 -4.56 0.99 -0.00 -1.26 -4.79 117.00 110.06 1xax n LEU 18 Ca 0.00 0.73 -0.13 0.00 -0.00 0.00 0.00 56.01 56.61 1xax n LEU 18 Cb 0.00 -1.29 -0.08 0.00 -0.00 0.00 0.00 43.42 42.05 1xax n LEU 18 CO 0.00 -0.44 1.17 -0.81 -0.00 0.00 0.00 177.39 177.31 1xax n PRO 19 N 7.10 0.43 -1.69 1.96 -0.04 -1.26 -4.89 135.00 136.62 1xax n PRO 19 Ca 0.31 -1.09 -0.44 0.00 -0.04 0.00 0.00 63.50 62.24 1xax n PRO 19 Cb 0.24 -3.77 -0.03 0.00 -0.04 0.00 0.00 33.50 29.90 1xax n PRO 19 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xax n THR 20 N 8.89 0.34 -0.23 0.52 -2.24 -1.26 -4.87 114.28 115.43 1xax n THR 20 Ca 0.45 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1xax n THR 20 Cb 0.44 -1.68 0.11 0.00 -2.10 0.00 0.00 70.33 67.11 1xax n THR 20 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1xax h GLU 21 N 5.58 0.61 -0.43 -0.78 -0.00 -1.90 -2.28 114.58 115.38 1xax h GLU 21 Ca -0.45 -0.04 0.08 0.00 -0.00 0.00 0.00 59.36 58.96 1xax h GLU 21 Cb 1.24 -0.14 -0.10 0.00 -0.00 0.00 0.00 28.75 29.76 1xax h GLU 21 CO 0.86 0.41 -0.32 1.49 -0.00 0.00 0.00 179.01 181.45 1xax h GLU 22 N 0.63 -0.22 0.59 1.06 4.81 -1.96 1.48 114.58 120.97 1xax h GLU 22 Ca 0.32 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1xax h GLU 22 Cb 0.27 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.71 1xax h GLU 22 CO -0.22 -0.15 -0.28 0.37 -0.73 0.00 0.00 179.01 178.00 1xax h GLN 23 N -0.23 -0.76 0.50 1.92 5.75 -1.85 0.14 115.11 120.59 1xax h GLN 23 Ca 0.18 0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1xax h GLN 23 Cb 0.54 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 1xax h GLN 23 CO -0.56 -0.51 -0.48 0.82 -2.65 0.00 0.00 178.83 175.45 1xax h ILE 24 N -0.81 0.05 0.03 2.39 5.03 -1.22 0.89 117.51 123.88 1xax h ILE 24 Ca -0.08 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.68 1xax h ILE 24 Cb 0.61 0.05 -0.05 0.00 -3.03 0.00 0.00 36.82 34.39 1xax h ILE 24 CO 0.13 0.00 -0.47 0.58 -0.68 0.00 0.00 178.15 177.71 1xax h VAL 25 N -0.98 0.08 -0.31 1.67 2.07 0.20 0.30 116.25 119.27 1xax h VAL 25 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1xax h VAL 25 Cb 0.85 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1xax h VAL 25 CO -0.05 0.00 0.18 -0.61 0.02 0.00 0.00 177.57 177.11 1xax h GLN 26 N -0.64 0.36 0.36 1.57 5.75 -0.64 0.45 115.11 122.32 1xax h GLN 26 Ca 0.03 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1xax h GLN 26 Cb 0.70 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1xax h GLN 26 CO -0.32 0.24 -0.45 2.35 -2.65 0.00 0.00 178.83 178.00 1xax h TRP 27 N 0.37 -1.25 0.00 3.99 2.91 0.13 0.12 115.95 122.22 1xax h TRP 27 Ca 0.12 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1xax h TRP 27 Cb 0.00 0.50 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1xax h TRP 27 CO -0.08 -0.57 0.00 0.00 -1.03 0.00 0.00 178.44 176.76 1xax n ALA 28 N -2.77 -0.02 0.03 2.65 0.00 1.00 -3.02 120.51 118.38 1xax n ALA 28 Ca -0.10 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.52 1xax n ALA 28 Cb 0.39 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.51 1xax n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xax h THR 29 N 0.00 0.79 -0.64 0.00 2.02 -0.56 -0.61 112.91 113.91 1xax h THR 29 Ca 0.00 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1xax h THR 29 Cb 0.00 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1xax h THR 29 CO 0.00 0.01 0.06 1.23 0.37 0.00 0.00 175.52 177.18 1xax h GLY 30 N 0.04 1.17 2.00 2.16 0.00 0.24 -0.47 103.07 108.21 1xax h GLY 30 Ca 0.22 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1xax h GLY 30 CO -0.01 0.75 -0.01 0.00 0.00 0.00 0.00 176.54 177.27 1xax h ALA 31 N 1.04 1.90 -0.01 3.60 0.00 -0.79 -0.63 119.26 124.36 1xax h ALA 31 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xax h ALA 31 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xax h ALA 31 CO 0.02 0.01 -0.31 1.55 0.00 0.00 0.00 179.25 180.52 1xax n VAL 32 N -4.40 0.00 0.05 0.00 3.14 -0.85 -4.50 118.33 111.78 1xax n VAL 32 Ca -0.03 -0.24 -0.12 0.00 -2.96 0.00 0.00 64.34 60.99 1xax n VAL 32 Cb 0.09 0.92 -0.06 0.00 -1.06 0.00 0.00 33.84 33.74 1xax n VAL 32 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1xax h GLN 33 N 2.26 -0.50 -0.95 1.45 1.08 0.55 0.45 115.11 119.45 1xax h GLN 33 Ca 0.00 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.38 1xax h GLN 33 Cb 0.68 0.11 -0.16 0.00 -0.05 0.00 0.00 27.48 28.06 1xax h GLN 33 CO 0.00 -0.33 -0.38 -1.35 -0.95 0.00 0.00 178.83 175.82 1xax h PRO 34 N -0.52 -0.02 -1.04 1.46 0.10 -1.79 -1.36 132.00 128.84 1xax h PRO 34 Ca 0.06 0.00 -0.59 0.00 0.10 0.00 0.00 66.00 65.57 1xax h PRO 34 Cb 0.61 0.00 -0.40 0.00 0.10 0.00 0.00 31.00 31.31 1xax h PRO 34 CO -0.30 -0.01 -0.50 -1.91 0.10 0.00 0.00 178.00 175.38 1xax n GLU 35 N -5.47 3.42 -2.62 1.05 4.07 -1.10 -5.05 120.64 114.93 1xax n GLU 35 Ca 0.10 -4.12 -0.29 0.00 -0.06 0.00 0.00 57.16 52.79 1xax n GLU 35 Cb 0.40 -2.27 -0.01 0.00 -0.06 0.00 0.00 31.44 29.49 1xax n GLU 35 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1xax s GLY 36 N -3.25 1.68 0.51 8.31 0.00 0.16 -4.94 107.32 109.80 1xax s GLY 36 Ca 0.52 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.95 1xax s GLY 36 CO -0.05 -0.15 0.27 -1.31 0.00 0.00 0.00 173.10 171.86 1xax s ASN 37 N -3.76 4.48 -0.16 1.64 0.01 -1.26 -4.79 114.94 111.10 1xax s ASN 37 Ca 0.50 -1.32 -0.29 0.00 -0.71 0.00 0.00 52.86 51.04 1xax s ASN 37 Cb -0.10 0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.83 1xax s ASN 37 CO 0.41 -0.95 1.42 -1.61 -1.51 0.00 0.00 177.10 174.85 1xax s GLU 38 N -4.12 4.12 0.17 -0.60 8.01 -1.26 -0.32 118.70 124.70 1xax s GLU 38 Ca 0.28 1.75 -0.24 0.00 0.01 0.00 0.00 54.97 56.77 1xax s GLU 38 Cb -0.00 -3.87 0.06 0.00 -4.31 0.00 0.00 34.13 26.00 1xax s GLU 38 CO 0.17 -0.87 0.88 0.14 0.01 0.00 0.00 175.26 175.58 1xax s VAL 39 N 3.98 0.00 -0.35 2.63 -7.23 0.98 -4.59 120.40 115.82 1xax s VAL 39 Ca 0.62 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1xax s VAL 39 Cb -0.25 -1.86 0.14 0.00 0.56 0.00 0.00 36.38 34.97 1xax s VAL 39 CO 0.22 0.00 0.21 -1.83 -0.31 0.00 0.00 175.10 173.38 1xax s GLU 40 N -3.44 0.55 -0.87 4.82 -1.05 -1.23 0.66 118.70 118.13 1xax s GLU 40 Ca 0.11 -1.32 -0.18 0.00 -0.15 0.00 0.00 54.97 53.43 1xax s GLU 40 Cb -0.02 -1.30 0.15 0.00 -0.44 0.00 0.00 34.13 32.51 1xax s GLU 40 CO 0.02 -1.21 1.01 1.41 0.95 0.00 0.00 175.26 177.44 1xax s MET 41 N 1.08 3.54 -0.23 -4.83 1.75 0.28 -2.18 119.30 118.71 1xax s MET 41 Ca 0.18 -1.85 -0.17 0.00 -1.25 0.00 0.00 55.69 52.61 1xax s MET 41 Cb -0.23 -4.74 -0.03 0.00 2.84 0.00 0.00 34.83 32.67 1xax s MET 41 CO 0.01 -1.66 0.44 0.99 -0.65 0.00 0.00 175.02 174.15 1xax s THR 42 N 2.20 5.15 0.03 10.11 2.01 0.44 -0.24 115.64 135.34 1xax s THR 42 Ca 0.28 0.76 0.04 0.00 0.31 0.00 0.00 61.69 63.07 1xax s THR 42 Cb -0.08 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1xax s THR 42 CO -0.08 0.18 -0.11 0.68 -0.69 0.00 0.00 174.62 174.61 1xax s VAL 43 N 1.73 0.82 -0.04 3.82 -7.23 0.32 0.04 120.40 119.87 1xax s VAL 43 Ca 0.20 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1xax s VAL 43 Cb -0.15 -0.78 0.03 0.00 0.56 0.00 0.00 36.38 36.04 1xax s VAL 43 CO 0.09 -0.09 0.09 -0.60 -0.31 0.00 0.00 175.10 174.28 1xax s ARG 44 N -1.09 0.04 -0.23 4.82 3.52 0.21 -0.54 118.95 125.68 1xax s ARG 44 Ca -0.02 0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.80 1xax s ARG 44 Cb -0.07 -0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 1xax s ARG 44 CO 0.01 -0.14 0.00 0.96 -0.81 0.00 0.00 175.30 175.32 1xax s ILE 45 N 0.97 3.78 0.08 4.11 -4.36 0.68 -0.46 121.20 126.00 1xax s ILE 45 Ca -0.08 -0.36 -0.03 0.00 -0.26 0.00 0.00 60.65 59.93 1xax s ILE 45 Cb -0.10 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 1xax s ILE 45 CO -0.04 0.40 0.04 0.54 0.24 0.00 0.00 174.94 176.11 1xax s VAL 46 N 1.44 0.18 1.01 8.37 0.11 0.14 -0.18 120.40 131.47 1xax s VAL 46 Ca 0.05 -1.71 -0.17 0.00 -2.93 0.00 0.00 61.98 57.23 1xax s VAL 46 Cb -0.15 -1.61 0.07 0.00 -1.53 0.00 0.00 36.38 33.17 1xax s VAL 46 CO -0.00 -0.80 -0.14 -0.67 -3.33 0.00 0.00 175.10 170.16 1xax n ASP 47 N 0.03 -2.72 0.13 3.54 -0.08 -1.26 -3.84 116.55 112.34 1xax n ASP 47 Ca -0.12 -0.21 -0.06 0.00 -1.51 0.00 0.00 54.79 52.89 1xax n ASP 47 Cb 0.62 -0.77 -0.03 0.00 2.34 0.00 0.00 41.12 43.28 1xax n ASP 47 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xax h GLU 48 N -2.15 -0.38 0.16 -0.67 4.57 -1.96 -2.60 114.58 111.56 1xax h GLU 48 Ca -0.36 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 1xax h GLU 48 Cb 1.03 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 1xax h GLU 48 CO 0.23 -0.25 -0.36 0.00 -1.18 0.00 0.00 179.01 177.45 1xax h ALA 49 N -1.33 -0.65 -0.33 2.92 0.00 -1.99 -0.61 119.26 117.27 1xax h ALA 49 Ca -0.04 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1xax h ALA 49 Cb 0.30 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1xax h ALA 49 CO 0.07 -0.93 -0.18 0.93 0.00 0.00 0.00 179.25 179.14 1xax h GLU 50 N -0.62 -0.13 0.47 0.00 5.08 -1.94 0.47 114.58 117.92 1xax h GLU 50 Ca 0.02 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1xax h GLU 50 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1xax h GLU 50 CO -0.19 -0.09 -0.41 0.66 -1.00 0.00 0.00 179.01 177.98 1xax h SER 51 N -0.13 -1.11 -0.43 1.42 4.64 -1.19 0.76 113.55 117.50 1xax h SER 51 Ca 0.17 0.08 0.08 0.00 -0.47 0.00 0.00 61.79 61.65 1xax h SER 51 Cb 0.39 0.36 -0.06 0.00 -0.31 0.00 0.00 62.40 62.78 1xax h SER 51 CO -0.41 -0.57 0.05 0.45 -0.87 0.00 0.00 176.83 175.48 1xax h HIS 52 N -0.87 0.07 -0.28 4.77 3.86 -0.89 0.18 115.15 121.99 1xax h HIS 52 Ca -0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1xax h HIS 52 Cb 0.74 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 1xax h HIS 52 CO -0.18 -0.04 0.05 0.93 0.86 0.00 0.00 177.93 179.56 1xax h GLU 53 N 0.17 0.40 -0.07 2.45 5.08 0.11 -1.32 114.58 121.40 1xax h GLU 53 Ca 0.21 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1xax h GLU 53 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1xax h GLU 53 CO -0.31 0.38 -0.42 1.25 -1.00 0.00 0.00 179.01 178.91 1xax h LEU 54 N 0.39 0.17 0.77 1.33 5.85 0.31 0.25 115.31 124.38 1xax h LEU 54 Ca 0.09 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1xax h LEU 54 Cb 0.18 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.17 1xax h LEU 54 CO -0.00 0.57 -0.37 0.78 -0.34 0.00 0.00 178.44 179.08 1xax h ASN 55 N 0.13 -0.87 -0.02 1.25 2.35 0.41 -1.05 115.58 117.78 1xax h ASN 55 Ca 0.01 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1xax h ASN 55 Cb 0.80 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 1xax h ASN 55 CO 0.06 -0.58 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.00 1xax h LEU 56 N -1.12 0.37 -2.73 1.61 4.07 -1.53 0.76 115.31 116.73 1xax h LEU 56 Ca -0.11 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 1xax h LEU 56 Cb 0.79 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 1xax h LEU 56 CO 0.17 0.58 -0.01 0.74 -1.08 0.00 0.00 178.44 178.85 1xax h THR 57 N 0.35 0.18 0.00 0.22 2.02 -0.39 -2.58 112.91 112.71 1xax h THR 57 Ca 0.06 -0.05 -0.27 0.00 0.77 0.00 0.00 66.41 66.93 1xax h THR 57 Cb 0.54 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1xax h THR 57 CO 0.04 0.01 -1.45 -1.22 0.37 0.00 0.00 175.52 173.26 1xax n TYR 58 N -3.33 0.90 0.00 3.16 4.01 -0.05 -4.96 117.16 116.89 1xax n TYR 58 Ca -0.03 0.38 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 1xax n TYR 58 Cb 0.09 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.03 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1xax n ARG 59 N -4.38 0.00 0.00 -0.72 -4.01 0.06 -5.08 116.66 102.54 1xax n ARG 59 Ca -0.35 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.46 1xax n ARG 59 Cb 0.72 -0.13 0.00 0.00 -3.04 0.00 0.00 32.46 30.02 1xax n ARG 59 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1xax n GLY 60 N -0.42 0.89 0.00 2.89 0.00 -1.08 -4.90 105.19 102.57 1xax n GLY 60 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xax n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xax n LYS 61 N 0.00 -0.08 0.00 1.61 5.02 -1.26 -4.87 118.16 118.59 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xax n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xax n ASP 62 N -1.63 0.00 -2.97 4.39 -0.08 -1.26 -4.79 116.55 110.21 1xax n ASP 62 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1xax n ASP 62 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xax n ARG 63 N 0.00 1.05 -1.48 -0.67 1.74 -1.26 -4.87 116.66 111.17 1xax n ARG 63 Ca 0.00 -1.77 -0.20 0.00 -0.77 0.00 0.00 57.85 55.11 1xax n ARG 63 Cb 0.00 0.73 -0.20 0.00 -1.02 0.00 0.00 32.46 31.97 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xax n PRO 64 N -0.53 0.06 -0.32 5.56 -0.02 -1.26 -4.84 135.00 133.64 1xax n PRO 64 Ca -0.06 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1xax n PRO 64 Cb 0.31 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1xax n PRO 64 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xax n THR 65 N 5.85 0.00 -0.07 3.45 5.66 -1.26 -5.07 114.28 122.84 1xax n THR 65 Ca 0.62 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.55 1xax n THR 65 Cb 0.19 -0.93 -0.11 0.00 -1.55 0.00 0.00 70.33 67.94 1xax n THR 65 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xax n ASN 66 N -0.86 1.61 -3.24 1.09 5.15 -1.26 -4.89 115.26 112.86 1xax n ASN 66 Ca 0.00 -0.01 -0.08 0.00 -0.60 0.00 0.00 54.58 53.89 1xax n ASN 66 Cb 0.00 0.76 -0.04 0.00 -0.53 0.00 0.00 39.78 39.97 1xax n ASN 66 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xax s VAL 67 N -2.34 -0.67 0.40 3.44 1.01 -1.26 -4.46 120.40 116.52 1xax s VAL 67 Ca -0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1xax s VAL 67 Cb 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1xax s VAL 67 CO 0.56 -0.29 0.65 -0.22 0.00 0.00 0.00 175.10 175.80 1xax s LEU 68 N 1.51 3.86 0.00 3.92 0.20 -1.03 -4.73 118.68 122.40 1xax s LEU 68 Ca 0.18 0.70 -0.02 0.00 0.69 0.00 0.00 54.13 55.68 1xax s LEU 68 Cb -0.08 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 42.09 1xax s LEU 68 CO -0.05 -0.40 0.32 -1.20 -0.29 0.00 0.00 176.35 174.73 1xax n SER 69 N -1.85 -0.89 -3.54 3.68 7.64 -1.26 0.03 113.62 117.43 1xax n SER 69 Ca -0.02 -2.08 -0.28 0.00 1.01 0.00 0.00 58.87 57.50 1xax n SER 69 Cb 0.55 1.62 -0.11 0.00 -1.01 0.00 0.00 64.21 65.26 1xax n SER 69 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xax s PHE 70 N -4.02 1.61 0.65 1.43 0.08 0.97 -4.79 117.98 113.91 1xax s PHE 70 Ca 0.16 -2.42 -0.11 0.00 0.12 0.00 0.00 56.93 54.68 1xax s PHE 70 Cb -0.01 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 1xax s PHE 70 CO 0.11 -0.77 1.04 -1.25 -0.10 0.00 0.00 175.22 174.26 1xax s PRO 71 N -0.02 3.28 1.45 0.24 0.04 -1.26 -0.61 135.00 138.13 1xax s PRO 71 Ca 0.27 0.86 -0.23 0.00 0.04 0.00 0.00 61.00 61.94 1xax s PRO 71 Cb -0.06 -2.04 0.38 0.00 0.04 0.00 0.00 34.50 32.82 1xax s PRO 71 CO -0.13 -0.82 0.91 -0.59 0.04 0.00 0.00 177.00 176.40 1xax s PHE 72 N -3.09 -0.76 -1.12 0.56 -0.71 -1.26 -4.72 117.98 106.88 1xax s PHE 72 Ca 0.57 0.59 -0.25 0.00 -1.04 0.00 0.00 56.93 56.80 1xax s PHE 72 Cb -0.13 -2.83 -0.17 0.00 -1.21 0.00 0.00 43.02 38.69 1xax s PHE 72 CO 0.54 -5.13 2.02 -1.91 -1.34 0.00 0.00 175.22 169.40 1xax n GLU 73 N -5.75 0.83 -2.19 1.99 0.00 -1.26 -4.89 120.64 109.37 1xax n GLU 73 Ca 0.12 -2.07 -0.43 0.00 0.00 0.00 0.00 57.16 54.79 1xax n GLU 73 Cb 0.60 -3.82 -0.02 0.00 0.00 0.00 0.00 31.44 28.20 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xax n PRO 75 N 7.92 0.00 0.00 0.00 -0.04 -1.26 -5.08 135.00 136.54 1xax n PRO 75 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1xax n PRO 75 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1xax n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xax n ASP 76 N 0.00 0.00 -3.35 3.54 8.00 -1.26 -5.02 116.55 118.46 1xax n ASP 76 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1xax n ASP 76 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1xax n ASP 76 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1xax n GLU 77 N -0.44 1.44 -2.75 -1.24 0.28 -1.26 -5.05 120.64 111.62 1xax n GLU 77 Ca 0.00 -3.87 -0.25 0.00 -0.16 0.00 0.00 57.16 52.88 1xax n GLU 77 Cb 0.00 -1.73 0.02 0.00 1.43 0.00 0.00 31.44 31.15 1xax n GLU 77 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1xax s VAL 78 N -1.58 4.07 -0.32 3.84 -7.23 -1.26 -5.02 120.40 112.91 1xax s VAL 78 Ca 0.36 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.33 1xax s VAL 78 Cb 0.13 -3.55 0.10 0.00 0.56 0.00 0.00 36.38 33.62 1xax s VAL 78 CO -0.09 -0.47 0.06 -1.61 -0.31 0.00 0.00 175.10 172.69 1xax s GLU 79 N -4.72 1.14 -0.13 4.82 2.02 -1.26 -4.82 118.70 115.74 1xax s GLU 79 Ca 0.50 -1.43 -0.29 0.00 0.02 0.00 0.00 54.97 53.76 1xax s GLU 79 Cb -0.10 -2.59 0.09 0.00 0.10 0.00 0.00 34.13 31.63 1xax s GLU 79 CO 0.41 -0.93 0.81 -0.48 0.02 0.00 0.00 175.26 175.09 1xax s LEU 80 N 1.27 -0.57 0.04 1.80 -0.00 -1.26 -5.01 118.68 114.95 1xax s LEU 80 Ca 0.09 0.75 -0.30 0.00 -0.00 0.00 0.00 54.13 54.67 1xax s LEU 80 Cb -0.18 2.28 -0.04 0.00 -0.00 0.00 0.00 46.19 48.25 1xax s LEU 80 CO -0.16 -0.44 1.02 -2.16 -0.00 0.00 0.00 176.35 174.62 1xax s PRO 81 N -0.80 4.56 0.00 1.48 0.04 -1.26 -4.79 135.00 134.22 1xax s PRO 81 Ca -0.05 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1xax s PRO 81 Cb -0.01 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1xax s PRO 81 CO 0.05 -0.04 0.00 1.47 0.04 0.00 0.00 177.00 178.52 1xax n LEU 82 N 3.64 0.00 0.00 -3.56 -0.00 -1.26 -4.77 117.00 111.05 1xax n LEU 82 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1xax n LEU 82 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1xax n LEU 82 CO 0.53 0.00 -0.34 0.18 -0.00 0.00 0.00 177.39 177.75 1xax n LEU 83 N 0.00 0.00 0.00 1.47 7.99 -1.06 -4.82 117.00 120.58 1xax n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1xax n LEU 83 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1xax n LEU 83 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1xax n GLY 84 N 2.00 -1.28 3.96 -0.72 0.00 -0.93 -4.79 105.19 103.43 1xax n GLY 84 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 1xax n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xax s ASP 85 N -4.00 6.33 0.03 1.61 -1.08 0.22 -0.42 116.67 119.35 1xax s ASP 85 Ca 0.00 0.17 0.02 0.00 -0.52 0.00 0.00 52.55 52.22 1xax s ASP 85 Cb 0.00 -1.90 -0.02 0.00 -1.46 0.00 0.00 42.92 39.54 1xax s ASP 85 CO 0.00 -0.07 -0.08 -0.76 0.52 0.00 0.00 175.17 174.78 1xax s LEU 86 N -3.81 2.17 -0.41 -1.34 1.43 0.11 -0.02 118.68 116.81 1xax s LEU 86 Ca 0.35 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1xax s LEU 86 Cb -0.10 -0.26 0.13 0.00 0.03 0.00 0.00 46.19 45.99 1xax s LEU 86 CO 0.30 -0.09 0.21 -0.69 0.23 0.00 0.00 176.35 176.31 1xax s VAL 87 N -0.92 1.16 0.25 -1.59 1.01 0.11 0.64 120.40 121.06 1xax s VAL 87 Ca -0.05 -2.26 0.07 0.00 0.00 0.00 0.00 61.98 59.74 1xax s VAL 87 Cb -0.07 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1xax s VAL 87 CO 0.00 -0.87 0.16 -0.63 0.00 0.00 0.00 175.10 173.77 1xax s ILE 88 N 0.65 4.29 -0.44 2.22 1.01 0.39 -2.47 121.20 126.85 1xax s ILE 88 Ca 0.16 -1.48 -0.06 0.00 0.00 0.00 0.00 60.65 59.27 1xax s ILE 88 Cb -0.23 -3.31 0.11 0.00 0.01 0.00 0.00 42.46 39.03 1xax s ILE 88 CO -0.03 -0.35 0.27 0.00 0.00 0.00 0.00 174.94 174.82 1xax h ARG 90 N 8.25 0.00 -0.94 0.00 -0.00 -1.90 -0.62 114.38 119.17 1xax h ARG 90 Ca -0.17 0.00 0.20 0.00 -0.00 0.00 0.00 59.98 60.00 1xax h ARG 90 Cb 1.06 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 30.92 1xax h ARG 90 CO 0.77 0.00 0.51 1.96 -0.00 0.00 0.00 179.97 183.21 1xax h GLN 91 N 0.00 0.59 0.00 0.08 4.20 -1.92 0.90 115.11 118.96 1xax h GLN 91 Ca 0.52 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.18 1xax h GLN 91 Cb 2.28 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.92 1xax h GLN 91 CO -0.01 0.39 -0.19 -0.39 -0.67 0.00 0.00 178.83 177.97 1xax h VAL 92 N 0.61 0.66 -0.76 -0.54 -1.51 -1.50 -2.84 116.25 110.38 1xax h VAL 92 Ca 0.56 -1.54 0.02 0.00 -1.23 0.00 0.00 66.70 64.50 1xax h VAL 92 Cb 0.93 1.30 -0.04 0.00 -2.13 0.00 0.00 31.29 31.35 1xax h VAL 92 CO -0.43 0.22 0.49 -0.37 -1.23 0.00 0.00 177.57 176.26 1xax h VAL 93 N -1.00 1.15 -0.43 7.19 -1.51 -1.55 0.17 116.25 120.26 1xax h VAL 93 Ca -0.03 -0.34 -0.05 0.00 -1.23 0.00 0.00 66.70 65.05 1xax h VAL 93 Cb 0.51 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.73 1xax h VAL 93 CO -0.02 0.18 0.06 -0.08 -1.23 0.00 0.00 177.57 176.48 1xax h GLU 94 N 0.98 0.66 -0.00 5.19 4.57 0.67 0.30 114.58 126.96 1xax h GLU 94 Ca 0.29 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1xax h GLU 94 Cb -0.05 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1xax h GLU 94 CO -0.09 0.63 0.00 0.00 -1.18 0.00 0.00 179.01 178.38 1xax h ARG 95 N 0.63 0.00 -0.88 1.92 3.08 -0.96 0.35 114.38 118.53 1xax h ARG 95 Ca 0.14 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1xax h ARG 95 Cb 0.31 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1xax h ARG 95 CO 0.00 0.30 0.46 1.49 -1.07 0.00 0.00 179.97 181.15 1xax h GLU 96 N -0.29 1.24 -0.43 0.04 4.81 -0.39 0.25 114.58 119.81 1xax h GLU 96 Ca 0.00 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 1xax h GLU 96 Cb 0.29 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1xax h GLU 96 CO 0.00 0.92 -0.05 0.00 -0.73 0.00 0.00 179.01 179.15 1xax h ALA 97 N 1.26 0.58 -0.18 2.92 0.00 -0.26 0.34 119.26 123.93 1xax h ALA 97 Ca 0.31 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1xax h ALA 97 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xax h ALA 97 CO -0.05 0.41 -0.35 0.66 0.00 0.00 0.00 179.25 179.93 1xax h SER 98 N 0.62 0.38 0.88 0.00 4.64 0.12 -1.64 113.55 118.54 1xax h SER 98 Ca 0.11 -0.15 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 1xax h SER 98 Cb 0.56 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1xax h SER 98 CO 0.03 0.70 -0.96 -0.08 -0.87 0.00 0.00 176.83 175.65 1xax h GLU 99 N 0.31 0.04 0.00 4.77 4.57 -0.29 -3.18 114.58 120.80 1xax h GLU 99 Ca 0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1xax h GLU 99 Cb 0.76 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1xax h GLU 99 CO 0.06 0.96 -0.06 1.96 -1.18 0.00 0.00 179.01 180.75 1xax h GLN 100 N 0.02 0.00 -3.56 1.92 4.20 -0.08 -3.47 115.11 114.13 1xax h GLN 100 Ca -0.02 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.36 1xax h GLN 100 Cb 1.67 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.50 1xax h GLN 100 CO 0.13 0.06 -0.49 0.39 -0.67 0.00 0.00 178.83 178.26 1xax n GLU 101 N -3.13 -3.70 -4.36 1.46 1.02 -0.64 -5.01 120.64 106.28 1xax n GLU 101 Ca 0.03 0.75 -0.27 0.00 -0.02 0.00 0.00 57.16 57.64 1xax n GLU 101 Cb 0.48 -5.24 -0.11 0.00 -0.02 0.00 0.00 31.44 26.55 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xax s LYS 102 N -5.40 1.77 -0.01 3.49 1.02 -1.19 -5.08 119.74 114.33 1xax s LYS 102 Ca 0.22 -1.39 -0.36 0.00 0.02 0.00 0.00 55.97 54.46 1xax s LYS 102 Cb -0.10 -2.00 -0.14 0.00 -0.52 0.00 0.00 37.83 35.07 1xax s LYS 102 CO 0.27 0.42 1.62 -2.30 -0.92 0.00 0.00 175.35 174.44 1xax n PRO 103 N 0.20 1.69 0.32 -1.68 -0.02 -1.26 -4.81 135.00 129.44 1xax n PRO 103 Ca -0.12 0.61 0.19 0.00 -2.02 0.00 0.00 63.50 62.17 1xax n PRO 103 Cb 0.55 -2.35 1.09 0.00 -0.02 0.00 0.00 33.50 32.77 1xax n PRO 103 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xax h LEU 104 N 6.61 0.00 0.30 2.45 3.38 -1.98 -2.97 115.31 123.10 1xax h LEU 104 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1xax h LEU 104 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1xax h LEU 104 CO 0.89 0.00 -0.37 -0.03 0.09 0.00 0.00 178.44 179.01 1xax h MET 105 N 0.00 -0.66 -0.08 1.13 4.05 -2.01 -0.96 114.93 116.40 1xax h MET 105 Ca -0.00 0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1xax h MET 105 Cb 0.00 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1xax h MET 105 CO 0.00 -0.44 -0.04 0.00 0.23 0.00 0.00 176.91 176.66 1xax h ALA 106 N -1.06 1.79 0.44 0.39 0.00 -1.92 -2.79 119.26 116.12 1xax h ALA 106 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xax h ALA 106 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xax h ALA 106 CO -0.09 0.16 -0.33 1.25 0.00 0.00 0.00 179.25 180.25 1xax h HIS 107 N 0.11 -0.87 -0.29 0.00 6.17 -1.28 0.17 115.15 119.16 1xax h HIS 107 Ca 0.03 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.15 1xax h HIS 107 Cb 0.15 0.32 -0.04 0.00 2.52 0.00 0.00 27.41 30.36 1xax h HIS 107 CO 0.00 -0.48 0.04 -1.49 0.71 0.00 0.00 177.93 176.71 1xax h TRP 108 N -0.76 0.06 -0.12 5.26 6.55 -1.00 1.48 115.95 127.43 1xax h TRP 108 Ca -0.04 0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.86 1xax h TRP 108 Cb 0.64 0.01 -0.05 0.00 -0.86 0.00 0.00 29.16 28.90 1xax h TRP 108 CO -0.14 0.00 -0.21 0.00 -1.05 0.00 0.00 178.44 177.04 1xax h ALA 109 N 1.22 -0.18 -0.06 1.49 0.00 -1.27 0.17 119.26 120.63 1xax h ALA 109 Ca 0.14 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1xax h ALA 109 Cb 0.15 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xax h ALA 109 CO -0.19 -0.67 -0.48 1.25 0.00 0.00 0.00 179.25 179.15 1xax h HIS 110 N -0.28 0.19 0.63 0.00 -0.00 -0.26 -3.08 115.15 112.35 1xax h HIS 110 Ca 0.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1xax h HIS 110 Cb 0.42 -0.04 0.01 0.00 -0.00 0.00 0.00 27.41 27.79 1xax h HIS 110 CO -0.31 0.61 -0.31 1.98 -0.00 0.00 0.00 177.93 179.90 1xax h MET 111 N 0.13 -0.82 -0.49 5.26 -1.53 0.32 0.23 114.93 118.03 1xax h MET 111 Ca 0.01 0.06 0.10 0.00 -3.44 0.00 0.00 59.70 56.42 1xax h MET 111 Cb 0.90 0.19 -0.09 0.00 -0.55 0.00 0.00 31.60 32.04 1xax h MET 111 CO 0.07 -0.55 -0.07 0.28 0.14 0.00 0.00 176.91 176.78 1xax h VAL 112 N -0.85 0.55 0.22 -5.77 2.07 -0.72 0.33 116.25 112.07 1xax h VAL 112 Ca -0.09 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1xax h VAL 112 Cb 0.66 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1xax h VAL 112 CO 0.14 0.01 -0.11 0.58 0.02 0.00 0.00 177.57 178.21 1xax h VAL 113 N 0.04 0.79 -0.48 2.57 2.07 -1.44 0.15 116.25 119.96 1xax h VAL 113 Ca 0.24 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.83 1xax h VAL 113 Cb 0.37 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1xax h VAL 113 CO -0.47 0.01 0.33 1.12 0.02 0.00 0.00 177.57 178.57 1xax h HIS 114 N -0.31 0.22 0.16 1.57 2.07 0.25 -1.08 115.15 118.03 1xax h HIS 114 Ca -0.03 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.49 1xax h HIS 114 Cb 0.24 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1xax h HIS 114 CO -0.06 0.11 -0.08 0.78 -3.07 0.00 0.00 177.93 175.61 1xax h GLY 115 N 0.21 -0.23 0.11 6.13 0.00 0.33 -3.09 103.07 106.52 1xax h GLY 115 Ca 0.22 0.08 0.20 0.00 0.00 0.00 0.00 47.33 47.83 1xax h GLY 115 CO -0.04 -0.08 0.61 1.48 0.00 0.00 0.00 176.54 178.51 1xax h SER 116 N -0.78 0.74 0.83 0.19 4.64 -0.63 0.97 113.55 119.52 1xax h SER 116 Ca -0.02 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1xax h SER 116 Cb 0.17 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1xax h SER 116 CO 0.04 0.25 -0.40 0.25 -0.87 0.00 0.00 176.83 176.10 1xax h LEU 117 N 0.72 -0.95 -1.62 5.97 7.12 -1.32 -2.80 115.31 122.43 1xax h LEU 117 Ca 0.58 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.61 1xax h LEU 117 Cb 0.96 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1xax h LEU 117 CO -0.37 -0.68 -0.03 0.45 -0.13 0.00 0.00 178.44 177.68 1xax h HIS 118 N -1.12 0.00 0.24 1.25 3.86 -1.37 0.46 115.15 118.47 1xax h HIS 118 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1xax h HIS 118 Cb 0.86 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 1xax h HIS 118 CO 0.04 0.03 -0.45 1.25 0.86 0.00 0.00 177.93 179.66 1xax h LEU 119 N 0.00 -1.30 -0.26 2.43 7.12 0.12 -3.38 115.31 120.05 1xax h LEU 119 Ca -0.00 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1xax h LEU 119 Cb 0.47 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1xax h LEU 119 CO 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 178.44 177.79 1xax n LEU 120 N -5.05 0.26 -1.85 2.25 -0.00 -1.17 -5.00 117.00 106.43 1xax n LEU 120 Ca -0.09 -0.32 -0.00 0.00 -0.00 0.00 0.00 56.01 55.60 1xax n LEU 120 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1xax n LEU 120 CO 0.17 0.06 0.07 0.61 -0.00 0.00 0.00 177.39 178.31 1xax n GLY 121 N 0.13 -0.45 0.00 1.47 0.00 0.16 -4.88 105.19 101.63 1xax n GLY 121 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1xax n GLY 121 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xax n TYR 122 N -1.22 0.00 0.34 1.61 4.01 -1.24 -2.71 117.16 117.95 1xax n TYR 122 Ca -0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1xax n TYR 122 Cb 0.50 0.00 0.37 0.00 -0.31 0.00 0.00 39.34 39.91 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xax n ASP 123 N -0.94 0.33 -4.01 7.72 2.03 -1.26 -4.67 116.55 115.75 1xax n ASP 123 Ca 0.04 0.60 -0.28 0.00 0.52 0.00 0.00 54.79 55.67 1xax n ASP 123 Cb 0.02 -0.66 0.14 0.00 -0.72 0.00 0.00 41.12 39.90 1xax n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xax n HIS 124 N -1.89 -1.70 -1.72 -0.67 1.44 -1.10 -4.38 115.22 105.20 1xax n HIS 124 Ca 0.02 0.17 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1xax n HIS 124 Cb 0.15 -1.47 0.00 0.00 0.12 0.00 0.00 29.99 28.78 1xax n HIS 124 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1xax n ILE 125 N -4.30 -0.64 1.59 0.61 -5.35 -1.26 -4.31 119.36 105.71 1xax n ILE 125 Ca 0.02 0.05 0.01 0.00 -0.27 0.00 0.00 62.75 62.55 1xax n ILE 125 Cb 0.55 -1.41 0.02 0.00 -1.74 0.00 0.00 39.64 37.07 1xax n ILE 125 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1xax n GLU 126 N 1.67 1.13 -0.00 6.28 -0.00 -1.26 -2.79 120.64 125.67 1xax n GLU 126 Ca 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1xax n GLU 126 Cb 0.05 -1.18 -0.00 0.00 -0.00 0.00 0.00 31.44 30.31 1xax n GLU 126 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1xax h ASP 127 N 0.24 0.00 0.00 -1.84 1.82 -1.95 -3.43 116.42 111.26 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1xax h ASP 127 Cb 0.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.21 1xax h ASP 127 CO 0.01 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 178.11 1xax n ASP 128 N -2.25 0.00 -0.49 2.28 8.00 -1.26 -4.49 116.55 118.35 1xax n ASP 128 Ca -0.00 0.00 0.41 0.00 0.71 0.00 0.00 54.79 55.91 1xax n ASP 128 Cb 0.00 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 41.79 1xax n ASP 128 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1xax n GLU 129 N -1.07 -0.03 0.00 -1.24 2.13 -1.26 -1.74 120.64 117.43 1xax n GLU 129 Ca 0.00 1.26 0.00 0.00 0.66 0.00 0.00 57.16 59.08 1xax n GLU 129 Cb 0.00 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.21 1xax n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xax n ALA 130 N -2.54 -0.17 -0.18 4.31 0.00 -1.12 0.11 120.51 120.91 1xax n ALA 130 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 1xax n ALA 130 Cb 1.60 0.11 0.09 0.00 0.00 0.00 0.00 19.45 21.25 1xax n ALA 130 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xax h GLU 131 N 0.00 0.34 0.54 0.00 3.07 -1.65 0.85 114.58 117.73 1xax h GLU 131 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1xax h GLU 131 Cb 0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1xax h GLU 131 CO 0.00 0.22 -0.38 0.93 -1.40 0.00 0.00 179.01 178.38 1xax h GLU 132 N 0.35 -0.85 -0.47 2.33 3.07 -1.31 0.30 114.58 118.00 1xax h GLU 132 Ca 0.28 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1xax h GLU 132 Cb 0.35 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1xax h GLU 132 CO -0.31 -0.56 0.30 1.98 -1.40 0.00 0.00 179.01 179.02 1xax h MET 133 N -0.88 0.63 0.50 2.33 4.05 0.97 0.44 114.93 122.98 1xax h MET 133 Ca -0.07 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1xax h MET 133 Cb 0.72 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1xax h MET 133 CO 0.04 0.44 -0.49 0.93 0.23 0.00 0.00 176.91 178.06 1xax h GLU 134 N 0.64 -0.95 -0.87 0.39 5.08 0.83 0.36 114.58 120.06 1xax h GLU 134 Ca 0.17 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1xax h GLU 134 Cb -0.05 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1xax h GLU 134 CO -0.04 -0.63 0.56 1.03 -1.00 0.00 0.00 179.01 178.93 1xax h SER 135 N -0.98 1.02 0.54 1.42 0.87 -0.33 0.34 113.55 116.42 1xax h SER 135 Ca -0.06 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1xax h SER 135 Cb 0.85 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1xax h SER 135 CO -0.05 0.76 -0.49 0.25 -0.53 0.00 0.00 176.83 176.76 1xax h LEU 136 N 1.19 -1.34 -0.46 2.23 7.12 0.27 0.20 115.31 124.51 1xax h LEU 136 Ca 0.32 0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.42 1xax h LEU 136 Cb -0.10 0.43 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 1xax h LEU 136 CO -0.06 -0.67 0.26 1.05 -0.13 0.00 0.00 178.44 178.88 1xax h GLU 137 N -1.02 0.64 -0.74 1.25 4.11 -0.16 -1.54 114.58 117.13 1xax h GLU 137 Ca -0.07 -0.07 0.17 0.00 0.07 0.00 0.00 59.36 59.46 1xax h GLU 137 Cb 0.87 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1xax h GLU 137 CO -0.04 0.50 0.50 1.15 0.07 0.00 0.00 179.01 181.20 1xax h THR 138 N 0.61 0.74 -0.11 -1.06 2.02 -0.10 0.23 112.91 115.24 1xax h THR 138 Ca 0.16 -0.09 -0.21 0.00 0.77 0.00 0.00 66.41 67.04 1xax h THR 138 Cb 0.05 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1xax h THR 138 CO -0.03 0.05 -0.75 -0.61 0.37 0.00 0.00 175.52 174.56 1xax h GLN 139 N 0.27 0.69 0.00 6.66 4.15 0.36 0.33 115.11 127.57 1xax h GLN 139 Ca 0.36 -0.60 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 1xax h GLN 139 Cb 1.03 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1xax h GLN 139 CO -0.09 1.21 -0.36 0.82 -1.93 0.00 0.00 178.83 178.48 1xax h ILE 140 N 0.38 1.19 0.00 2.39 2.04 -0.16 0.80 117.51 124.14 1xax h ILE 140 Ca -0.06 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1xax h ILE 140 Cb 1.39 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1xax h ILE 140 CO 0.15 0.36 -0.24 0.24 0.00 0.00 0.00 178.15 178.66 1xax h MET 141 N 0.00 0.00 0.00 2.37 2.86 -0.60 -3.39 114.93 116.17 1xax h MET 141 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1xax h MET 141 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1xax h MET 141 CO 0.05 0.00 -0.29 0.37 1.06 0.00 0.00 176.91 178.09 1xax h GLN 142 N -0.87 0.00 -0.57 1.72 4.15 -0.42 -2.57 115.11 116.55 1xax h GLN 142 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 1xax h GLN 142 Cb 0.24 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1xax h GLN 142 CO 0.00 0.29 0.58 0.78 -1.93 0.00 0.00 178.83 178.56 1xax h GLY 143 N 1.72 0.00 0.00 2.39 0.00 0.54 -1.03 103.07 106.69 1xax h GLY 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xax h GLY 143 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1xax n LEU 144 N -3.72 0.47 -2.80 3.11 4.32 -1.16 -5.03 117.00 112.19 1xax n LEU 144 Ca 0.11 -0.67 -0.07 0.00 -0.02 0.00 0.00 56.01 55.36 1xax n LEU 144 Cb 0.80 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.61 1xax n LEU 144 CO 0.28 0.12 0.03 0.61 -1.22 0.00 0.00 177.39 177.21 1xax n GLY 145 N 0.41 -1.40 0.30 -0.72 0.00 -0.39 -5.14 105.19 98.25 1xax n GLY 145 Ca 0.00 1.20 0.15 0.00 0.00 0.00 0.00 46.02 47.36 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01