#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 5.07 -0.15 0.44 0.11 -1.19 0.18 120.40 124.85 1xax s VAL 4 Ca 0.00 1.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.91 1xax s VAL 4 Cb 0.00 -3.88 0.04 0.00 -1.53 0.00 0.00 36.38 31.02 1xax s VAL 4 CO 0.00 0.13 0.46 -0.22 -3.33 0.00 0.00 175.10 172.14 1xax s LEU 5 N 1.88 0.25 -0.02 2.54 0.20 0.31 -4.86 118.68 118.98 1xax s LEU 5 Ca 0.25 0.83 0.00 0.00 0.69 0.00 0.00 54.13 55.91 1xax s LEU 5 Cb -0.16 1.60 0.03 0.00 -0.43 0.00 0.00 46.19 47.23 1xax s LEU 5 CO 0.10 -0.21 0.02 0.54 -0.29 0.00 0.00 176.35 176.51 1xax s VAL 6 N 0.01 -0.00 0.07 1.68 0.11 -1.26 -0.13 120.40 120.88 1xax s VAL 6 Ca -0.02 0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 1xax s VAL 6 Cb -0.03 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 1xax s VAL 6 CO 0.01 0.10 0.15 -1.81 -3.33 0.00 0.00 175.10 170.22 1xax s ASP 7 N 1.04 5.96 0.13 3.54 1.11 0.93 -4.93 116.67 124.45 1xax s ASP 7 Ca -0.09 0.14 0.11 0.00 0.18 0.00 0.00 52.55 52.89 1xax s ASP 7 Cb -0.13 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.09 1xax s ASP 7 CO -0.03 0.18 -0.26 -0.76 1.18 0.00 0.00 175.17 175.47 1xax s LEU 8 N -2.43 2.32 -0.35 1.23 2.01 -1.26 0.13 118.68 120.34 1xax s LEU 8 Ca 0.32 -0.75 0.03 0.00 0.01 0.00 0.00 54.13 53.74 1xax s LEU 8 Cb -0.13 -1.19 0.16 0.00 0.01 0.00 0.00 46.19 45.04 1xax s LEU 8 CO 0.25 0.17 0.40 -1.58 1.01 0.00 0.00 176.35 176.59 1xax s GLN 9 N -2.08 0.59 0.48 1.70 2.00 0.42 -4.86 119.66 117.90 1xax s GLN 9 Ca 0.14 -0.58 -0.13 0.00 -2.00 0.00 0.00 55.36 52.79 1xax s GLN 9 Cb -0.10 -0.58 -0.07 0.00 0.80 0.00 0.00 33.01 33.07 1xax s GLN 9 CO 0.06 -1.15 0.89 -1.50 -0.50 0.00 0.00 175.29 173.09 1xax s ILE 10 N 1.74 4.67 0.00 -2.34 -1.16 -1.26 0.23 121.20 123.08 1xax s ILE 10 Ca 0.15 0.89 0.00 0.00 -0.51 0.00 0.00 60.65 61.18 1xax s ILE 10 Cb -0.14 -3.75 0.00 0.00 0.61 0.00 0.00 42.46 39.19 1xax s ILE 10 CO -0.11 -0.67 0.00 0.00 -2.81 0.00 0.00 174.94 171.35 1xax n ALA 11 N -1.61 0.90 -2.56 1.50 0.00 -1.24 -4.89 120.51 112.60 1xax n ALA 11 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.21 1xax n ALA 11 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1xax n ALA 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1xax s THR 12 N -1.11 5.05 0.33 0.00 -1.32 -1.26 -4.97 115.64 112.37 1xax s THR 12 Ca 0.00 -0.04 0.13 0.00 -1.21 0.00 0.00 61.69 60.57 1xax s THR 12 Cb 0.00 -3.75 0.32 0.00 -1.51 0.00 0.00 72.50 67.57 1xax s THR 12 CO 0.00 -0.34 1.67 -0.33 -2.21 0.00 0.00 174.62 173.42 1xax h GLU 13 N 1.60 0.35 0.00 7.08 3.07 -2.01 -3.43 114.58 121.24 1xax h GLU 13 Ca -0.48 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 1xax h GLU 13 Cb 1.19 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1xax h GLU 13 CO 0.66 0.23 0.00 0.09 -1.40 0.00 0.00 179.01 178.59 1xax n ASN 14 N -5.03 0.00 0.00 1.42 5.03 -1.26 -4.65 115.26 110.77 1xax n ASN 14 Ca 0.30 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.75 1xax n ASN 14 Cb 0.93 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.69 1xax n ASN 14 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1xax n ILE 15 N 0.00 0.00 0.19 2.41 -6.64 -1.26 -4.68 119.36 109.37 1xax n ILE 15 Ca 0.00 0.00 0.18 0.00 -1.77 0.00 0.00 62.75 61.16 1xax n ILE 15 Cb 0.00 0.00 0.81 0.00 -1.44 0.00 0.00 39.64 39.01 1xax n ILE 15 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 1xax h GLU 16 N 0.00 0.00 -5.38 6.28 3.07 -2.00 -3.42 114.58 113.13 1xax h GLU 16 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 1xax h GLU 16 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 1xax h GLU 16 CO 0.00 0.00 -0.59 0.20 -1.40 0.00 0.00 179.01 177.22 1xax s GLY 17 N -3.94 2.41 -0.59 -3.84 0.00 -1.26 -5.11 107.32 95.00 1xax s GLY 17 Ca -0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 44.72 42.76 1xax s GLY 17 CO 0.51 -1.98 0.40 -2.27 0.00 0.00 0.00 173.10 169.77 1xax s LEU 18 N -3.64 5.32 -0.81 0.66 1.98 -1.26 -5.02 118.68 115.92 1xax s LEU 18 Ca 0.31 -2.65 -0.18 0.00 -2.89 0.00 0.00 54.13 48.72 1xax s LEU 18 Cb 0.08 -1.87 -0.20 0.00 0.66 0.00 0.00 46.19 44.86 1xax s LEU 18 CO 0.15 -0.42 2.11 -2.65 -1.89 0.00 0.00 176.35 173.65 1xax n PRO 19 N 3.78 0.25 -1.71 0.98 -0.02 -1.26 -4.85 135.00 132.16 1xax n PRO 19 Ca 0.05 -0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 60.45 1xax n PRO 19 Cb 0.39 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.19 1xax n PRO 19 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xax n THR 20 N 7.40 0.10 -0.25 3.45 -2.24 -1.26 -4.82 114.28 116.64 1xax n THR 20 Ca 0.46 -0.02 0.06 0.00 -2.27 0.00 0.00 64.05 62.29 1xax n THR 20 Cb 0.36 -2.00 0.19 0.00 -2.10 0.00 0.00 70.33 66.78 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 7.20 0.22 -0.47 -0.78 4.11 -1.94 -1.16 114.58 121.76 1xax h GLU 21 Ca -0.44 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.06 1xax h GLU 21 Cb 1.21 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 1xax h GLU 21 CO 0.95 0.15 -0.34 1.49 0.07 0.00 0.00 179.01 181.33 1xax h GLU 22 N 0.23 -0.22 0.18 1.06 4.81 -1.96 1.09 114.58 119.77 1xax h GLU 22 Ca 0.43 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1xax h GLU 22 Cb 0.75 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1xax h GLU 22 CO -0.55 -0.14 -0.08 0.37 -0.73 0.00 0.00 179.01 177.87 1xax h GLN 23 N -0.22 -0.23 -0.44 1.92 4.15 -1.63 0.15 115.11 118.82 1xax h GLN 23 Ca 0.19 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.68 1xax h GLN 23 Cb 0.55 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.20 1xax h GLN 23 CO -0.60 -0.15 -0.53 0.82 -1.93 0.00 0.00 178.83 176.44 1xax h ILE 24 N -0.28 0.02 0.24 2.39 1.08 -1.18 0.74 117.51 120.53 1xax h ILE 24 Ca -0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1xax h ILE 24 Cb 0.18 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 1xax h ILE 24 CO 0.04 0.00 -0.37 0.58 -0.69 0.00 0.00 178.15 177.70 1xax h VAL 25 N -0.37 0.23 0.39 1.67 2.07 0.12 0.17 116.25 120.52 1xax h VAL 25 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1xax h VAL 25 Cb 0.59 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1xax h VAL 25 CO -0.61 0.00 -0.42 -0.61 0.02 0.00 0.00 177.57 175.95 1xax h GLN 26 N -0.69 -0.80 0.14 1.57 4.15 -0.13 1.28 115.11 120.64 1xax h GLN 26 Ca -0.00 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xax h GLN 26 Cb 0.66 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.49 1xax h GLN 26 CO -0.14 -0.54 -0.52 2.35 -1.93 0.00 0.00 178.83 178.06 1xax h TRP 27 N -0.83 -1.49 0.00 3.99 2.91 0.57 0.26 115.95 121.35 1xax h TRP 27 Ca -0.03 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1xax h TRP 27 Cb 0.75 0.63 0.00 0.00 -0.51 0.00 0.00 29.16 30.03 1xax h TRP 27 CO -0.24 -0.60 0.00 0.00 -1.03 0.00 0.00 178.44 176.57 1xax n ALA 28 N -2.91 -0.02 -0.22 2.65 0.00 0.57 -2.64 120.51 117.94 1xax n ALA 28 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1xax n ALA 28 Cb 0.41 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.00 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 0.62 -0.66 0.00 2.02 0.64 0.50 112.91 116.03 1xax h THR 29 Ca 0.00 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1xax h THR 29 Cb 0.00 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1xax h THR 29 CO 0.00 0.05 0.44 1.23 0.37 0.00 0.00 175.52 177.61 1xax h GLY 30 N 0.29 0.88 2.00 2.16 0.00 0.47 0.10 103.07 108.96 1xax h GLY 30 Ca 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xax h GLY 30 CO -0.43 0.25 -0.02 0.00 0.00 0.00 0.00 176.54 176.34 1xax h ALA 31 N 1.63 1.27 0.00 3.60 0.00 -0.08 -1.44 119.26 124.24 1xax h ALA 31 Ca 0.27 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 1xax h ALA 31 Cb 0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1xax h ALA 31 CO -0.08 0.02 -1.31 0.28 0.00 0.00 0.00 179.25 178.16 1xax h VAL 32 N 0.00 1.07 -0.70 0.00 2.07 -0.64 -3.38 116.25 114.67 1xax h VAL 32 Ca -0.00 -2.78 0.11 0.00 0.82 0.00 0.00 66.70 64.86 1xax h VAL 32 Cb 0.08 2.50 -0.12 0.00 -1.52 0.00 0.00 31.29 32.22 1xax h VAL 32 CO 0.00 0.61 -0.37 1.56 0.02 0.00 0.00 177.57 179.39 1xax h GLN 33 N 0.00 -0.12 -1.25 1.57 7.50 -0.84 -1.18 115.11 120.78 1xax h GLN 33 Ca -0.15 0.01 0.43 0.00 0.50 0.00 0.00 58.65 59.43 1xax h GLN 33 Cb 1.80 0.03 -0.12 0.00 0.05 0.00 0.00 27.48 29.24 1xax h GLN 33 CO 0.09 -0.08 0.81 -2.30 -1.50 0.00 0.00 178.83 175.85 1xax n PRO 34 N -5.43 -0.03 -0.07 1.46 -0.01 -1.26 -0.34 135.00 129.32 1xax n PRO 34 Ca 0.05 1.09 -0.10 0.00 -0.01 0.00 0.00 63.50 64.53 1xax n PRO 34 Cb 0.36 -2.16 -0.08 0.00 -0.01 0.00 0.00 33.50 31.60 1xax n PRO 34 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1xax h GLU 35 N 0.00 0.00 0.00 -0.52 4.39 -1.50 -3.50 114.58 113.44 1xax h GLU 35 Ca 0.77 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.47 1xax h GLU 35 Cb 2.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.20 1xax h GLU 35 CO -0.38 0.65 0.00 0.41 -1.16 0.00 0.00 179.01 178.54 1xax n GLY 36 N 1.65 1.48 3.14 -3.84 0.00 0.53 -5.17 105.19 102.98 1xax n GLY 36 Ca -0.08 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1xax n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xax n ASN 37 N 0.00 0.41 -3.58 1.61 5.03 -1.26 -5.00 115.26 112.46 1xax n ASN 37 Ca 0.00 -3.08 -0.19 0.00 0.87 0.00 0.00 54.58 52.18 1xax n ASN 37 Cb 0.00 1.24 -0.15 0.00 -1.02 0.00 0.00 39.78 39.85 1xax n ASN 37 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1xax s GLU 38 N -3.40 0.10 -0.11 3.52 2.02 -1.26 0.15 118.70 119.73 1xax s GLU 38 Ca 0.27 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 55.26 1xax s GLU 38 Cb 0.01 -0.96 0.11 0.00 0.10 0.00 0.00 34.13 33.40 1xax s GLU 38 CO 0.19 -0.52 0.93 0.14 0.02 0.00 0.00 175.26 176.03 1xax s VAL 39 N 2.28 0.00 -0.27 2.63 -7.23 0.13 -4.52 120.40 113.41 1xax s VAL 39 Ca 0.04 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.18 1xax s VAL 39 Cb -0.14 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.89 1xax s VAL 39 CO -0.09 0.00 0.12 -0.70 -0.31 0.00 0.00 175.10 174.12 1xax s GLU 40 N -1.69 0.22 0.23 4.82 2.12 -1.24 0.11 118.70 123.27 1xax s GLU 40 Ca -0.01 -0.51 0.10 0.00 0.36 0.00 0.00 54.97 54.91 1xax s GLU 40 Cb -0.01 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 1xax s GLU 40 CO -0.01 -0.96 -0.08 -1.64 -0.54 0.00 0.00 175.26 172.03 1xax s MET 41 N 2.06 2.07 -0.05 4.30 1.00 0.81 0.12 119.30 129.62 1xax s MET 41 Ca 0.08 -1.42 0.02 0.00 0.00 0.00 0.00 55.69 54.37 1xax s MET 41 Cb -0.16 -2.09 0.01 0.00 0.00 0.00 0.00 34.83 32.60 1xax s MET 41 CO -0.31 0.39 -0.09 0.99 0.00 0.00 0.00 175.02 176.00 1xax s THR 42 N -2.07 0.82 -0.21 2.05 2.01 0.18 -0.05 115.64 118.38 1xax s THR 42 Ca 0.28 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1xax s THR 42 Cb -0.07 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 1xax s THR 42 CO 0.17 0.28 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.64 1xax s VAL 43 N 0.60 3.47 -0.22 3.82 1.01 0.35 0.15 120.40 129.57 1xax s VAL 43 Ca -0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1xax s VAL 43 Cb -0.13 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1xax s VAL 43 CO 0.02 0.43 -0.05 -0.13 0.00 0.00 0.00 175.10 175.36 1xax s ARG 44 N 1.32 3.30 -0.24 2.72 0.52 0.11 -0.44 118.95 126.24 1xax s ARG 44 Ca 0.04 -0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 1xax s ARG 44 Cb -0.14 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 1xax s ARG 44 CO -0.02 -0.22 0.12 0.42 0.02 0.00 0.00 175.30 175.63 1xax s ILE 45 N 1.46 4.92 -0.27 1.52 1.09 0.14 -0.46 121.20 129.58 1xax s ILE 45 Ca 0.05 0.03 -0.37 0.00 -1.10 0.00 0.00 60.65 59.26 1xax s ILE 45 Cb -0.14 -3.30 0.16 0.00 -1.06 0.00 0.00 42.46 38.12 1xax s ILE 45 CO -0.04 0.33 1.35 0.54 -0.10 0.00 0.00 174.94 177.02 1xax s VAL 46 N 1.32 0.00 0.90 2.92 0.11 -1.22 -3.73 120.40 120.69 1xax s VAL 46 Ca 0.06 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.99 1xax s VAL 46 Cb -0.15 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 1xax s VAL 46 CO 0.06 0.00 0.71 0.47 -3.33 0.00 0.00 175.10 173.01 1xax n ASP 47 N 0.04 -0.96 -0.13 3.54 9.92 -1.26 -2.68 116.55 125.02 1xax n ASP 47 Ca 0.04 0.42 -0.06 0.00 -0.53 0.00 0.00 54.79 54.66 1xax n ASP 47 Cb 0.57 -1.32 0.12 0.00 -0.64 0.00 0.00 41.12 39.86 1xax n ASP 47 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1xax h GLU 48 N -1.41 0.85 0.33 -1.24 9.09 -1.96 -2.91 114.58 117.33 1xax h GLU 48 Ca -0.44 -0.25 -0.00 0.00 0.05 0.00 0.00 59.36 58.72 1xax h GLU 48 Cb 1.29 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1xax h GLU 48 CO 0.38 0.87 -0.27 0.00 0.05 0.00 0.00 179.01 180.04 1xax h ALA 49 N 1.18 -0.61 0.22 1.06 0.00 -1.98 0.27 119.26 119.41 1xax h ALA 49 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xax h ALA 49 Cb 0.51 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1xax h ALA 49 CO 0.03 -0.87 -0.50 1.49 0.00 0.00 0.00 179.25 179.40 1xax h GLU 50 N -0.61 -0.77 0.66 0.00 4.81 -1.92 0.23 114.58 116.98 1xax h GLU 50 Ca -0.02 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1xax h GLU 50 Cb 0.54 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1xax h GLU 50 CO -0.02 -0.52 -0.47 0.66 -0.73 0.00 0.00 179.01 177.93 1xax h SER 51 N -0.80 -1.23 -0.63 1.04 4.64 -1.47 0.55 113.55 115.65 1xax h SER 51 Ca -0.01 0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.50 1xax h SER 51 Cb 0.78 0.38 -0.12 0.00 -0.31 0.00 0.00 62.40 63.12 1xax h SER 51 CO -0.22 -0.69 -0.31 0.45 -0.87 0.00 0.00 176.83 175.18 1xax h HIS 52 N -1.08 -0.85 -0.86 4.77 3.86 -0.38 0.43 115.15 121.03 1xax h HIS 52 Ca -0.09 0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1xax h HIS 52 Cb 0.89 0.47 -0.04 0.00 1.06 0.00 0.00 27.41 29.79 1xax h HIS 52 CO -0.15 -0.37 0.44 0.93 0.86 0.00 0.00 177.93 179.64 1xax h GLU 53 N -0.13 1.23 -0.91 2.45 4.39 -0.39 -1.71 114.58 119.51 1xax h GLU 53 Ca 0.25 -0.17 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1xax h GLU 53 Cb 0.55 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 1xax h GLU 53 CO -0.70 0.93 0.59 1.25 -1.16 0.00 0.00 179.01 179.91 1xax h LEU 54 N 1.22 0.89 0.23 1.33 7.12 0.43 0.28 115.31 126.81 1xax h LEU 54 Ca 0.30 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 1xax h LEU 54 Cb 0.09 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1xax h LEU 54 CO -0.04 0.56 -0.11 0.78 -0.13 0.00 0.00 178.44 179.50 1xax h ASN 55 N 1.00 -0.26 0.01 1.25 2.35 -0.14 -2.98 115.58 116.81 1xax h ASN 55 Ca 0.40 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1xax h ASN 55 Cb 0.24 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1xax h ASN 55 CO -0.15 0.16 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.71 1xax h LEU 56 N -0.99 0.00 0.06 1.61 4.07 -1.29 0.76 115.31 119.54 1xax h LEU 56 Ca -0.03 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.66 1xax h LEU 56 Cb 0.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 1xax h LEU 56 CO 0.05 0.00 -1.34 0.00 -1.08 0.00 0.00 178.44 176.08 1xax h THR 57 N 0.00 1.35 -0.04 0.22 1.03 -0.52 -3.21 112.91 111.74 1xax h THR 57 Ca -0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 66.41 63.37 1xax h THR 57 Cb 0.01 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 1xax h THR 57 CO 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 175.52 176.34 1xax n TYR 58 N -3.37 0.04 0.00 0.00 4.11 -0.85 -4.85 117.16 112.23 1xax n TYR 58 Ca -0.10 -0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 1xax n TYR 58 Cb 1.01 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 40.34 1xax n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1xax n ARG 59 N 0.32 0.00 -1.19 -3.48 0.00 0.24 -5.04 116.66 107.52 1xax n ARG 59 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1xax n ARG 59 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.53 1xax n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xax n GLY 60 N -0.40 0.93 0.00 5.14 0.00 0.30 -4.92 105.19 106.24 1xax n GLY 60 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xax n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xax n LYS 61 N -1.18 -0.06 0.00 1.61 4.81 -1.24 -4.81 118.16 117.29 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xax n LYS 61 Cb 0.28 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.33 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xax n ASP 62 N -1.34 0.00 -2.31 3.14 2.03 -1.26 -4.71 116.55 112.10 1xax n ASP 62 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1xax n ASP 62 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1xax n ASP 62 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1xax n ARG 63 N 0.00 0.97 -1.46 -0.67 0.63 -1.26 -4.78 116.66 110.09 1xax n ARG 63 Ca 0.00 -1.06 -0.24 0.00 -0.92 0.00 0.00 57.85 55.63 1xax n ARG 63 Cb 0.00 0.52 -0.21 0.00 0.45 0.00 0.00 32.46 33.22 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1xax n PRO 64 N -0.30 0.00 -2.51 -0.14 -0.02 -1.26 -4.84 135.00 125.93 1xax n PRO 64 Ca -0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.34 1xax n PRO 64 Cb 0.19 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 5.66 0.00 -0.07 3.45 5.66 -1.26 -5.07 114.28 122.66 1xax n THR 65 Ca 0.66 -1.01 -0.07 0.00 -3.05 0.00 0.00 64.05 60.57 1xax n THR 65 Cb 0.12 -0.34 -0.09 0.00 -1.55 0.00 0.00 70.33 68.47 1xax n THR 65 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1xax n ASN 66 N -2.02 2.10 -3.42 1.09 6.94 -1.26 -4.93 115.26 113.76 1xax n ASN 66 Ca 0.00 -0.02 -0.16 0.00 -0.02 0.00 0.00 54.58 54.38 1xax n ASN 66 Cb 0.29 0.58 -0.10 0.00 -2.36 0.00 0.00 39.78 38.19 1xax n ASN 66 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1xax s VAL 67 N -2.31 -0.41 -0.20 3.53 -7.23 -1.26 -2.93 120.40 109.59 1xax s VAL 67 Ca -0.09 -0.33 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 1xax s VAL 67 Cb 0.04 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 1xax s VAL 67 CO 0.48 -0.35 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.69 1xax s LEU 68 N 2.38 3.21 0.19 1.32 2.96 0.02 -4.87 118.68 123.87 1xax s LEU 68 Ca 0.09 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 1xax s LEU 68 Cb -0.15 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1xax s LEU 68 CO -0.25 0.06 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.79 1xax s SER 69 N 1.02 4.15 -0.69 3.68 1.04 -1.26 0.78 113.70 122.42 1xax s SER 69 Ca 0.02 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.85 1xax s SER 69 Cb -0.14 -0.66 0.17 0.00 0.10 0.00 0.00 66.02 65.49 1xax s SER 69 CO 0.01 0.10 0.48 -0.36 0.98 0.00 0.00 173.24 174.46 1xax s PHE 70 N -1.74 3.52 0.66 5.02 0.08 0.12 -4.89 117.98 120.74 1xax s PHE 70 Ca 0.25 -3.20 -0.11 0.00 0.12 0.00 0.00 56.93 53.99 1xax s PHE 70 Cb -0.08 -2.87 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 1xax s PHE 70 CO 0.15 -0.65 1.04 -1.25 -0.10 0.00 0.00 175.22 174.41 1xax s PRO 71 N -1.04 3.26 1.41 0.24 0.04 -1.26 -0.24 135.00 137.42 1xax s PRO 71 Ca 0.23 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 61.90 1xax s PRO 71 Cb -0.11 -2.03 0.36 0.00 0.04 0.00 0.00 34.50 32.75 1xax s PRO 71 CO -0.11 -0.84 0.95 -0.59 0.04 0.00 0.00 177.00 176.45 1xax s PHE 72 N -3.09 -0.64 0.71 0.56 -0.71 -1.26 -4.90 117.98 108.65 1xax s PHE 72 Ca 0.57 0.53 -0.17 0.00 -1.04 0.00 0.00 56.93 56.81 1xax s PHE 72 Cb -0.13 -2.96 -0.11 0.00 -1.21 0.00 0.00 43.02 38.61 1xax s PHE 72 CO 0.54 -4.94 -0.06 -1.91 -1.34 0.00 0.00 175.22 167.51 1xax n GLU 73 N -5.58 0.10 -1.68 1.99 2.13 -1.26 -4.72 120.64 111.62 1xax n GLU 73 Ca 0.13 0.05 -0.51 0.00 0.66 0.00 0.00 57.16 57.49 1xax n GLU 73 Cb 0.60 -1.30 -0.06 0.00 0.27 0.00 0.00 31.44 30.96 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xax s PRO 75 N 4.11 3.21 0.00 0.00 0.04 -1.26 -4.91 135.00 136.18 1xax s PRO 75 Ca 0.96 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1xax s PRO 75 Cb -0.81 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1xax s PRO 75 CO 0.56 -1.94 0.00 -0.25 0.04 0.00 0.00 177.00 175.40 1xax n ASP 76 N 8.59 0.00 -0.86 6.66 9.92 -1.26 -4.71 116.55 134.89 1xax n ASP 76 Ca 0.01 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.29 1xax n ASP 76 Cb 0.48 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 41.16 1xax n ASP 76 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1xax n GLU 77 N -0.68 1.81 -2.97 -1.24 2.13 -1.26 -4.96 120.64 113.47 1xax n GLU 77 Ca 0.00 -3.14 -0.40 0.00 0.66 0.00 0.00 57.16 54.29 1xax n GLU 77 Cb 0.00 -1.73 -0.06 0.00 0.27 0.00 0.00 31.44 29.92 1xax n GLU 77 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1xax s VAL 78 N -3.17 4.45 -0.65 6.31 -7.23 -1.26 -5.03 120.40 113.82 1xax s VAL 78 Ca 0.41 1.71 0.05 0.00 -1.81 0.00 0.00 61.98 62.34 1xax s VAL 78 Cb 0.38 -4.14 0.16 0.00 0.56 0.00 0.00 36.38 33.33 1xax s VAL 78 CO -0.01 0.48 0.43 -1.61 -0.31 0.00 0.00 175.10 174.08 1xax s GLU 79 N -0.84 2.28 -0.05 4.82 2.02 -1.26 -4.87 118.70 120.80 1xax s GLU 79 Ca 0.37 -3.12 -0.25 0.00 0.02 0.00 0.00 54.97 51.98 1xax s GLU 79 Cb -0.23 -3.31 0.05 0.00 0.10 0.00 0.00 34.13 30.75 1xax s GLU 79 CO 0.26 -1.25 0.55 -0.48 0.02 0.00 0.00 175.26 174.36 1xax s LEU 80 N -1.12 -0.15 0.32 1.80 2.34 -1.26 -5.02 118.68 115.59 1xax s LEU 80 Ca 0.23 0.53 -0.28 0.00 0.06 0.00 0.00 54.13 54.67 1xax s LEU 80 Cb -0.09 2.10 -0.09 0.00 -0.56 0.00 0.00 46.19 47.54 1xax s LEU 80 CO -0.13 -0.54 1.12 -2.16 -1.06 0.00 0.00 176.35 173.58 1xax s PRO 81 N -1.17 4.46 -0.30 1.48 0.04 -1.26 -4.90 135.00 133.34 1xax s PRO 81 Ca -0.11 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 1xax s PRO 81 Cb -0.02 -3.00 0.20 0.00 0.04 0.00 0.00 34.50 31.72 1xax s PRO 81 CO 0.08 0.05 1.46 -0.48 0.04 0.00 0.00 177.00 178.15 1xax s LEU 82 N -1.81 -0.00 0.00 -3.56 0.05 -1.26 -4.68 118.68 107.42 1xax s LEU 82 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 54.13 54.67 1xax s LEU 82 Cb -0.31 1.00 0.00 0.00 -2.05 0.00 0.00 46.19 44.83 1xax s LEU 82 CO 0.39 -0.00 0.00 0.18 -0.55 0.00 0.00 176.35 176.37 1xax n LEU 83 N 1.15 0.00 0.00 1.48 7.99 0.12 -4.70 117.00 123.04 1xax n LEU 83 Ca -0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 56.01 55.77 1xax n LEU 83 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1xax n LEU 83 CO 0.03 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.52 1xax n GLY 84 N 1.14 0.80 3.90 -0.72 0.00 -0.43 -4.63 105.19 105.24 1xax n GLY 84 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 6.36 -0.34 1.61 2.15 0.67 -0.64 116.67 122.47 1xax s ASP 85 Ca 0.00 0.98 0.01 0.00 0.43 0.00 0.00 52.55 53.97 1xax s ASP 85 Cb 0.00 -2.26 0.14 0.00 -0.30 0.00 0.00 42.92 40.50 1xax s ASP 85 CO 0.00 -0.50 0.31 -0.22 -0.17 0.00 0.00 175.17 174.59 1xax s LEU 86 N -4.39 0.05 -0.09 -1.34 0.20 0.39 0.10 118.68 113.61 1xax s LEU 86 Ca 0.48 -1.37 -0.24 0.00 0.69 0.00 0.00 54.13 53.70 1xax s LEU 86 Cb -0.10 0.36 -0.03 0.00 -0.43 0.00 0.00 46.19 45.99 1xax s LEU 86 CO 0.40 -0.32 0.72 -0.69 -0.29 0.00 0.00 176.35 176.17 1xax s VAL 87 N 1.74 5.01 0.16 1.68 1.01 0.23 0.04 120.40 130.27 1xax s VAL 87 Ca 0.14 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.66 1xax s VAL 87 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1xax s VAL 87 CO -0.15 0.20 -0.15 -0.63 0.00 0.00 0.00 175.10 174.38 1xax s ILE 88 N 1.09 1.57 -0.25 2.22 1.01 0.39 -0.80 121.20 126.43 1xax s ILE 88 Ca 0.37 -1.96 -0.29 0.00 0.00 0.00 0.00 60.65 58.77 1xax s ILE 88 Cb -0.18 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1xax s ILE 88 CO 0.17 -0.48 1.33 0.00 0.00 0.00 0.00 174.94 175.96 1xax n ARG 90 N 7.16 0.29 -0.10 0.00 -4.01 -1.09 -2.83 116.66 116.07 1xax n ARG 90 Ca 0.15 0.10 -0.11 0.00 -1.04 0.00 0.00 57.85 56.95 1xax n ARG 90 Cb 0.46 -1.50 -0.15 0.00 -3.04 0.00 0.00 32.46 28.23 1xax n ARG 90 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 1xax n GLN 91 N -1.18 0.74 -0.01 2.89 7.27 -1.26 -4.12 117.38 121.72 1xax n GLN 91 Ca 0.08 0.01 -0.01 0.00 0.07 0.00 0.00 57.00 57.15 1xax n GLN 91 Cb 0.08 -1.51 -0.01 0.00 2.41 0.00 0.00 30.24 31.22 1xax n GLN 91 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1xax h VAL 92 N 0.00 0.00 -0.49 1.69 2.07 -1.91 -2.95 116.25 114.66 1xax h VAL 92 Ca -0.54 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1xax h VAL 92 Cb 2.18 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1xax h VAL 92 CO 0.01 0.00 0.26 -0.37 0.02 0.00 0.00 177.57 177.49 1xax h VAL 93 N -0.87 1.18 -0.85 2.57 -1.51 -1.84 0.10 116.25 115.04 1xax h VAL 93 Ca -0.01 -0.47 0.02 0.00 -1.23 0.00 0.00 66.70 65.01 1xax h VAL 93 Cb 0.06 0.60 -0.05 0.00 -2.13 0.00 0.00 31.29 29.77 1xax h VAL 93 CO 0.01 0.19 0.55 -0.33 -1.23 0.00 0.00 177.57 176.76 1xax h GLU 94 N 0.65 1.05 -0.32 5.19 3.07 -1.75 0.64 114.58 123.11 1xax h GLU 94 Ca 0.17 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 1xax h GLU 94 Cb 0.08 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1xax h GLU 94 CO -0.03 0.70 -0.19 -0.09 -1.40 0.00 0.00 179.01 178.00 1xax h ARG 95 N 1.09 0.69 -0.26 2.33 1.12 -1.29 0.26 114.38 118.32 1xax h ARG 95 Ca 0.33 -0.32 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 1xax h ARG 95 Cb -0.04 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 1xax h ARG 95 CO -0.10 0.92 0.06 0.93 -3.11 0.00 0.00 179.97 178.68 1xax h GLU 96 N 0.46 0.42 0.00 0.20 5.08 -0.27 0.33 114.58 120.79 1xax h GLU 96 Ca 0.07 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1xax h GLU 96 Cb 0.74 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1xax h GLU 96 CO 0.05 0.51 -0.32 0.00 -1.00 0.00 0.00 179.01 178.25 1xax h ALA 97 N 0.89 1.09 0.05 3.43 0.00 0.30 0.31 119.26 125.33 1xax h ALA 97 Ca 0.08 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 1xax h ALA 97 Cb 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xax h ALA 97 CO 0.00 0.40 -1.29 0.66 0.00 0.00 0.00 179.25 179.03 1xax h SER 98 N 0.00 0.18 0.65 0.00 4.64 -0.15 -3.28 113.55 115.59 1xax h SER 98 Ca -0.00 -0.22 -0.27 0.00 -0.47 0.00 0.00 61.79 60.83 1xax h SER 98 Cb 0.76 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1xax h SER 98 CO 0.04 1.18 -1.43 -0.08 -0.87 0.00 0.00 176.83 175.67 1xax h GLU 99 N 0.03 0.06 -0.08 4.77 4.57 -0.18 -3.31 114.58 120.43 1xax h GLU 99 Ca -0.13 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 1xax h GLU 99 Cb 1.91 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.53 1xax h GLU 99 CO 0.14 0.82 -0.05 -0.56 -1.18 0.00 0.00 179.01 178.19 1xax h GLN 100 N 0.02 0.12 -4.54 1.92 3.07 -0.50 -3.47 115.11 111.73 1xax h GLN 100 Ca -0.18 -0.02 -0.22 0.00 0.09 0.00 0.00 58.65 58.32 1xax h GLN 100 Cb 1.93 -0.02 0.12 0.00 0.08 0.00 0.00 27.48 29.59 1xax h GLN 100 CO 0.11 0.18 -0.54 -1.91 0.09 0.00 0.00 178.83 176.76 1xax n GLU 101 N -4.41 -4.36 -4.13 0.06 2.13 -1.24 -5.05 120.64 103.65 1xax n GLU 101 Ca -0.02 0.59 -0.11 0.00 0.66 0.00 0.00 57.16 58.29 1xax n GLU 101 Cb 0.17 -4.81 -0.09 0.00 0.27 0.00 0.00 31.44 26.98 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xax s LYS 102 N -4.87 1.12 -0.09 5.31 3.01 -1.26 -5.11 119.74 117.85 1xax s LYS 102 Ca 0.02 -1.46 -0.38 0.00 -1.01 0.00 0.00 55.97 53.14 1xax s LYS 102 Cb -0.00 0.29 -0.16 0.00 -1.01 0.00 0.00 37.83 36.95 1xax s LYS 102 CO 0.51 -0.37 1.55 -2.30 0.51 0.00 0.00 175.35 175.25 1xax n PRO 103 N -0.21 1.20 0.01 -1.68 -0.02 -1.26 -4.87 135.00 128.17 1xax n PRO 103 Ca -0.02 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1xax n PRO 103 Cb 0.64 -2.11 0.02 0.00 -0.02 0.00 0.00 33.50 32.04 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 5.97 0.64 -1.85 2.45 3.38 -2.00 -3.01 115.31 120.89 1xax h LEU 104 Ca -0.47 -0.38 0.18 0.00 0.09 0.00 0.00 57.88 57.31 1xax h LEU 104 Cb 1.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1xax h LEU 104 CO 0.87 1.11 0.50 0.00 0.09 0.00 0.00 178.44 181.01 1xax h MET 105 N 0.41 0.13 0.15 1.13 -0.00 -1.98 -0.28 114.93 114.49 1xax h MET 105 Ca -0.01 -0.01 -0.22 0.00 -0.00 0.00 0.00 59.70 59.46 1xax h MET 105 Cb 1.21 -0.03 0.02 0.00 -0.00 0.00 0.00 31.60 32.80 1xax h MET 105 CO 0.12 0.09 -0.95 0.00 -0.00 0.00 0.00 176.91 176.16 1xax h ALA 106 N 1.66 -0.08 -0.96 -3.00 0.00 -1.92 -3.06 119.26 111.89 1xax h ALA 106 Ca 0.35 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.62 1xax h ALA 106 Cb 1.17 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1xax h ALA 106 CO -0.05 0.46 0.60 1.25 0.00 0.00 0.00 179.25 181.51 1xax h HIS 107 N -0.19 1.10 -0.19 0.00 6.17 -0.99 0.10 115.15 121.16 1xax h HIS 107 Ca -0.16 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 60.94 1xax h HIS 107 Cb 1.73 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 31.30 1xax h HIS 107 CO 0.17 0.51 0.06 -1.49 0.71 0.00 0.00 177.93 177.89 1xax h TRP 108 N 1.03 0.30 -0.38 5.26 4.06 -1.23 1.13 115.95 126.12 1xax h TRP 108 Ca 0.44 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.39 1xax h TRP 108 Cb 0.31 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1xax h TRP 108 CO -0.02 0.38 0.21 0.00 -3.56 0.00 0.00 178.44 175.45 1xax h ALA 109 N 0.88 0.48 -0.09 1.49 0.00 -1.22 0.21 119.26 121.01 1xax h ALA 109 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xax h ALA 109 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xax h ALA 109 CO -0.00 -0.15 -0.27 1.25 0.00 0.00 0.00 179.25 180.08 1xax h HIS 110 N 0.42 0.45 0.55 0.00 -0.00 -0.70 -3.13 115.15 112.75 1xax h HIS 110 Ca 0.16 -0.18 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1xax h HIS 110 Cb 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1xax h HIS 110 CO -0.09 0.89 -0.44 1.98 -0.00 0.00 0.00 177.93 180.27 1xax h MET 111 N -0.11 -0.94 -0.65 5.26 -1.53 0.15 0.90 114.93 118.02 1xax h MET 111 Ca -0.01 0.06 0.13 0.00 -3.44 0.00 0.00 59.70 56.44 1xax h MET 111 Cb 0.89 0.21 -0.12 0.00 -0.55 0.00 0.00 31.60 32.03 1xax h MET 111 CO 0.06 -0.62 -0.22 -0.39 0.14 0.00 0.00 176.91 175.88 1xax h VAL 112 N -0.97 0.28 -0.29 -5.77 -1.51 -0.70 0.35 116.25 107.65 1xax h VAL 112 Ca -0.06 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.34 1xax h VAL 112 Cb 0.82 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 1xax h VAL 112 CO 0.00 0.00 -0.09 0.58 -1.23 0.00 0.00 177.57 176.84 1xax h VAL 113 N -0.05 1.21 -0.31 7.19 2.07 -1.46 0.13 116.25 125.03 1xax h VAL 113 Ca 0.30 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1xax h VAL 113 Cb 0.51 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1xax h VAL 113 CO -0.69 0.30 -0.00 1.12 0.02 0.00 0.00 177.57 178.32 1xax h HIS 114 N 0.44 0.60 -0.00 1.57 2.07 0.21 -2.66 115.15 117.38 1xax h HIS 114 Ca 0.09 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 1xax h HIS 114 Cb 0.42 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.25 1xax h HIS 114 CO 0.01 0.68 -0.21 0.41 -3.07 0.00 0.00 177.93 175.76 1xax n GLY 115 N -0.34 -1.15 0.09 6.13 0.00 0.68 -2.57 105.19 108.04 1xax n GLY 115 Ca -0.02 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1xax n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xax h SER 116 N 0.30 0.02 0.08 1.61 0.02 -0.60 -3.36 113.55 111.63 1xax h SER 116 Ca 0.00 -0.70 -0.20 0.00 -0.84 0.00 0.00 61.79 60.04 1xax h SER 116 Cb 0.44 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1xax h SER 116 CO 0.00 1.32 -1.01 0.25 -1.14 0.00 0.00 176.83 176.25 1xax h LEU 117 N -0.96 0.28 -1.90 5.07 6.46 -1.62 -3.12 115.31 119.51 1xax h LEU 117 Ca -0.22 -0.85 0.01 0.00 -0.12 0.00 0.00 57.88 56.70 1xax h LEU 117 Cb 1.22 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1xax h LEU 117 CO -0.12 1.44 0.38 -0.74 -0.62 0.00 0.00 178.44 178.78 1xax h HIS 118 N -0.55 0.00 0.02 1.25 2.76 -1.69 0.67 115.15 117.61 1xax h HIS 118 Ca -0.22 0.00 -0.40 0.00 -2.20 0.00 0.00 60.37 57.55 1xax h HIS 118 Cb 1.53 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.43 1xax h HIS 118 CO 0.16 0.00 -2.36 -0.11 -1.30 0.00 0.00 177.93 174.32 1xax n LEU 119 N -2.96 2.62 -0.01 0.26 0.00 -1.25 -4.83 117.00 110.82 1xax n LEU 119 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 56.01 56.04 1xax n LEU 119 Cb 0.44 -0.92 -0.01 0.00 0.00 0.00 0.00 43.42 42.92 1xax n LEU 119 CO 0.14 0.80 -0.58 0.00 0.00 0.00 0.00 177.39 177.76 1xax n LEU 120 N -3.60 2.48 -1.32 -1.96 -0.00 -0.85 -5.07 117.00 106.68 1xax n LEU 120 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.54 1xax n LEU 120 Cb 0.96 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 44.31 1xax n LEU 120 CO 0.22 0.46 0.00 0.61 -0.00 0.00 0.00 177.39 178.68 1xax n GLY 121 N 3.29 -0.09 0.31 1.47 0.00 0.23 -4.91 105.19 105.48 1xax n GLY 121 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1xax n GLY 121 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xax n TYR 122 N -0.91 0.00 -1.69 1.61 4.11 -1.26 -3.48 117.16 115.54 1xax n TYR 122 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.60 1xax n TYR 122 Cb 0.44 -0.04 0.05 0.00 -0.00 0.00 0.00 39.34 39.79 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1xax n ASP 123 N -0.09 6.45 0.00 9.48 -0.08 -1.26 -4.82 116.55 126.24 1xax n ASP 123 Ca 0.00 -3.77 0.00 0.00 -1.51 0.00 0.00 54.79 49.51 1xax n ASP 123 Cb 0.10 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1xax n ASP 123 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xax n HIS 124 N -0.80 0.00 -1.57 -0.67 1.44 -1.23 -4.72 115.22 107.68 1xax n HIS 124 Ca 0.54 0.00 -0.52 0.00 -2.01 0.00 0.00 57.72 55.73 1xax n HIS 124 Cb 0.76 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.82 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 -0.33 0.40 0.91 0.61 -5.35 -1.26 -4.83 119.36 109.51 1xax n ILE 125 Ca 0.00 -0.10 0.10 0.00 -0.27 0.00 0.00 62.75 62.49 1xax n ILE 125 Cb 0.00 -0.71 0.31 0.00 -1.74 0.00 0.00 39.64 37.50 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 2.07 1.98 -0.00 6.28 -0.00 -1.26 -1.59 120.64 128.11 1xax n GLU 126 Ca 0.17 -1.48 -0.00 0.00 -0.00 0.00 0.00 57.16 55.85 1xax n GLU 126 Cb 0.20 -1.42 -0.00 0.00 -0.00 0.00 0.00 31.44 30.22 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 2.89 0.00 0.00 -1.84 1.82 -1.98 -3.43 116.42 113.88 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 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1xax h ASP 127 CO 0.00 0.03 0.00 -0.67 -1.61 0.00 0.00 179.24 176.99 1xax n ASP 128 N -2.32 0.00 -0.35 2.28 2.03 -1.26 -4.44 116.55 112.49 1xax n ASP 128 Ca -0.00 0.04 0.13 0.00 0.52 0.00 0.00 54.79 55.48 1xax n ASP 128 Cb 0.01 -0.30 0.27 0.00 -0.72 0.00 0.00 41.12 40.37 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xax h GLU 129 N 0.00 0.00 0.00 -0.67 4.57 -1.91 0.14 114.58 116.71 1xax h GLU 129 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xax h GLU 129 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xax h GLU 129 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 1xax n ALA 130 N -3.23 -0.13 0.01 2.92 0.00 -0.62 0.14 120.51 119.59 1xax n ALA 130 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 1xax n ALA 130 Cb 0.72 0.20 -0.04 0.00 0.00 0.00 0.00 19.45 20.33 1xax n ALA 130 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xax h GLU 131 N 0.00 -0.06 -0.06 0.00 4.11 -1.68 0.37 114.58 117.25 1xax h GLU 131 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1xax h GLU 131 Cb 0.00 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1xax h GLU 131 CO 0.00 -0.04 -0.35 1.49 0.07 0.00 0.00 179.01 180.18 1xax h GLU 132 N -0.07 -0.45 -0.60 1.06 4.57 -0.69 0.16 114.58 118.56 1xax h GLU 132 Ca 0.06 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1xax h GLU 132 Cb 0.15 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1xax h GLU 132 CO -0.13 -0.30 0.26 1.98 -1.18 0.00 0.00 179.01 179.64 1xax h MET 133 N -0.47 0.85 0.70 1.92 4.05 0.14 0.38 114.93 122.50 1xax h MET 133 Ca 0.07 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1xax h MET 133 Cb 0.58 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1xax h MET 133 CO -0.32 0.68 -0.42 0.93 0.23 0.00 0.00 176.91 178.01 1xax h GLU 134 N 0.85 -1.01 -0.63 0.39 5.08 0.10 0.84 114.58 120.20 1xax h GLU 134 Ca 0.21 0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1xax h GLU 134 Cb 0.13 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1xax h GLU 134 CO -0.02 -0.67 0.32 1.03 -1.00 0.00 0.00 179.01 178.67 1xax h SER 135 N -1.04 0.81 0.74 1.42 0.87 -0.64 0.28 113.55 115.99 1xax h SER 135 Ca -0.09 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1xax h SER 135 Cb 0.83 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1xax h SER 135 CO 0.10 0.70 -0.50 0.25 -0.53 0.00 0.00 176.83 176.85 1xax h LEU 136 N 0.87 -1.27 -0.84 2.23 7.12 -0.10 0.25 115.31 123.56 1xax h LEU 136 Ca 0.22 0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.32 1xax h LEU 136 Cb 0.09 0.38 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 1xax h LEU 136 CO -0.03 -0.74 0.56 -0.08 -0.13 0.00 0.00 178.44 178.02 1xax h GLU 137 N -1.17 1.10 -0.22 1.25 4.22 0.77 -1.64 114.58 118.89 1xax h GLU 137 Ca -0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.25 1xax h GLU 137 Cb 0.95 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1xax h GLU 137 CO 0.07 0.73 0.02 1.15 -2.18 0.00 0.00 179.01 178.80 1xax h THR 138 N 1.14 1.13 -0.05 0.32 2.02 -0.23 0.43 112.91 117.67 1xax h THR 138 Ca 0.31 -0.48 -0.21 0.00 0.77 0.00 0.00 66.41 66.81 1xax h THR 138 Cb -0.12 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1xax h THR 138 CO -0.07 0.16 -0.83 -0.61 0.37 0.00 0.00 175.52 174.54 1xax h GLN 139 N 0.31 0.44 0.00 6.66 4.15 0.41 0.35 115.11 127.43 1xax h GLN 139 Ca 0.07 -0.41 -0.24 0.00 0.77 0.00 0.00 58.65 58.84 1xax h GLN 139 Cb 0.18 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1xax h GLN 139 CO 0.00 1.06 -1.30 0.82 -1.93 0.00 0.00 178.83 177.48 1xax h ILE 140 N 0.28 1.29 0.00 2.39 2.04 -0.98 -2.23 117.51 120.30 1xax h ILE 140 Ca -0.05 -3.04 -0.03 0.00 1.00 0.00 0.00 64.86 62.73 1xax h ILE 140 Cb 1.44 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 40.14 1xax h ILE 140 CO 0.15 0.73 -0.41 0.24 0.00 0.00 0.00 178.15 178.86 1xax h MET 141 N 0.00 0.00 0.14 2.37 2.86 -0.19 -3.40 114.93 116.71 1xax h MET 141 Ca -0.13 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.17 1xax h MET 141 Cb 1.86 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.51 1xax h MET 141 CO 0.10 0.20 -1.72 0.37 1.06 0.00 0.00 176.91 176.92 1xax h GLN 142 N -1.00 0.30 -1.44 1.72 4.15 -0.56 -3.10 115.11 115.18 1xax h GLN 142 Ca -0.04 -0.51 0.42 0.00 0.77 0.00 0.00 58.65 59.28 1xax h GLN 142 Cb 0.49 0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 1xax h GLN 142 CO -0.03 1.18 1.09 0.78 -1.93 0.00 0.00 178.83 179.92 1xax h GLY 143 N 1.26 0.00 0.00 2.39 0.00 -0.39 0.23 103.07 106.56 1xax h GLY 143 Ca -0.32 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 1xax h GLY 143 CO 0.15 0.00 -1.84 1.04 0.00 0.00 0.00 176.54 175.89 1xax n LEU 144 N -3.97 0.00 -2.12 3.11 4.32 -1.25 -5.02 117.00 112.07 1xax n LEU 144 Ca 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.27 1xax n LEU 144 Cb 1.54 0.17 0.00 0.00 -1.62 0.00 0.00 43.42 43.52 1xax n LEU 144 CO 0.40 0.17 0.03 0.61 -1.22 0.00 0.00 177.39 177.38 1xax n GLY 145 N 1.86 -0.96 0.00 -0.72 0.00 0.81 -5.14 105.19 101.05 1xax n GLY 145 Ca -0.13 0.49 0.16 0.00 0.00 0.00 0.00 46.02 46.54 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01