#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 5.10 -0.32 0.44 -7.23 -1.25 -0.33 120.40 116.80 1xax s VAL 4 Ca 0.00 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.22 1xax s VAL 4 Cb 0.00 -3.66 0.14 0.00 0.56 0.00 0.00 36.38 33.42 1xax s VAL 4 CO 0.00 -0.09 0.30 -0.22 -0.31 0.00 0.00 175.10 174.78 1xax s LEU 5 N -2.98 -0.02 -0.23 1.32 2.96 0.34 -4.87 118.68 115.21 1xax s LEU 5 Ca 0.42 -1.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.03 1xax s LEU 5 Cb -0.11 0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.91 1xax s LEU 5 CO 0.26 -0.34 0.14 -0.69 -1.32 0.00 0.00 176.35 174.40 1xax s VAL 6 N 1.91 5.28 -0.34 1.68 1.01 -1.26 -0.04 120.40 128.64 1xax s VAL 6 Ca 0.13 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1xax s VAL 6 Cb -0.15 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.85 1xax s VAL 6 CO -0.20 0.38 0.08 -1.81 0.00 0.00 0.00 175.10 173.54 1xax s ASP 7 N 0.86 5.03 -1.05 3.32 1.11 0.85 -4.97 116.67 121.82 1xax s ASP 7 Ca 0.07 -1.57 -0.16 0.00 0.18 0.00 0.00 52.55 51.07 1xax s ASP 7 Cb -0.13 -1.75 0.15 0.00 1.07 0.00 0.00 42.92 42.26 1xax s ASP 7 CO 0.03 -0.36 1.25 -0.76 1.18 0.00 0.00 175.17 176.50 1xax s LEU 8 N 1.20 5.13 -0.26 1.23 2.01 -1.26 0.08 118.68 126.80 1xax s LEU 8 Ca 0.00 -2.50 -0.20 0.00 0.01 0.00 0.00 54.13 51.44 1xax s LEU 8 Cb -0.21 -2.39 -0.02 0.00 0.01 0.00 0.00 46.19 43.58 1xax s LEU 8 CO -0.02 -0.90 0.61 -1.58 1.01 0.00 0.00 176.35 175.47 1xax s GLN 9 N 2.06 4.07 0.15 1.70 0.74 0.83 -4.94 119.66 124.26 1xax s GLN 9 Ca 0.36 0.47 0.02 0.00 0.05 0.00 0.00 55.36 56.27 1xax s GLN 9 Cb -0.04 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 1xax s GLN 9 CO -0.05 -0.43 0.27 -1.50 -0.55 0.00 0.00 175.29 173.03 1xax s ILE 10 N 2.49 5.29 -0.12 -2.34 2.07 -1.26 0.10 121.20 127.43 1xax s ILE 10 Ca 0.25 -0.69 0.25 0.00 -1.41 0.00 0.00 60.65 59.05 1xax s ILE 10 Cb -0.15 -3.72 0.46 0.00 0.13 0.00 0.00 42.46 39.18 1xax s ILE 10 CO 0.09 -0.08 1.14 0.00 -1.91 0.00 0.00 174.94 174.18 1xax n ALA 11 N -0.51 2.46 -3.15 1.50 0.00 0.21 -4.83 120.51 116.20 1xax n ALA 11 Ca -0.07 -2.52 -0.24 0.00 0.00 0.00 0.00 53.44 50.62 1xax n ALA 11 Cb 0.54 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 19.03 1xax n ALA 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xax s THR 12 N -1.69 1.10 0.01 0.00 -4.23 -1.26 -4.68 115.64 104.89 1xax s THR 12 Ca 0.31 -0.51 0.11 0.00 -1.18 0.00 0.00 61.69 60.42 1xax s THR 12 Cb 0.36 -0.98 -0.15 0.00 1.34 0.00 0.00 72.50 73.07 1xax s THR 12 CO -0.11 0.34 1.17 -0.08 -0.54 0.00 0.00 174.62 175.39 1xax h GLU 13 N 6.56 0.00 -3.68 3.99 4.57 -2.00 -3.44 114.58 120.57 1xax h GLU 13 Ca -0.32 0.00 -0.42 0.00 -1.18 0.00 0.00 59.36 57.43 1xax h GLU 13 Cb 1.18 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 29.39 1xax h GLU 13 CO 0.48 0.73 -0.76 -0.80 -1.18 0.00 0.00 179.01 177.48 1xax s ASN 14 N -6.46 1.45 0.09 1.04 0.01 -1.26 -5.14 114.94 104.67 1xax s ASN 14 Ca 0.00 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.05 1xax s ASN 14 Cb 0.09 -0.40 -0.03 0.00 0.41 0.00 0.00 41.25 41.32 1xax s ASN 14 CO 0.80 -0.19 0.07 -0.63 -1.51 0.00 0.00 177.10 175.65 1xax s ILE 15 N 1.89 0.15 -0.47 0.60 1.09 -1.26 -5.05 121.20 118.15 1xax s ILE 15 Ca 0.03 -1.67 -0.04 0.00 -1.10 0.00 0.00 60.65 57.88 1xax s ILE 15 Cb -0.12 -1.67 0.06 0.00 -1.06 0.00 0.00 42.46 39.67 1xax s ILE 15 CO -0.05 -0.70 2.76 -0.62 -0.10 0.00 0.00 174.94 176.24 1xax n GLU 16 N -0.02 2.45 0.00 2.79 1.02 -1.26 -4.56 120.64 121.06 1xax n GLU 16 Ca -0.11 -2.38 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 1xax n GLU 16 Cb 0.62 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xax n GLY 17 N 0.88 1.02 3.44 0.62 0.00 -1.26 -5.11 105.19 104.78 1xax n GLY 17 Ca 0.49 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1xax n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xax n LEU 18 N 0.00 -0.09 -4.60 0.99 -0.00 -1.26 -4.86 117.00 107.18 1xax n LEU 18 Ca 0.00 0.83 -0.43 0.00 -0.00 0.00 0.00 56.01 56.41 1xax n LEU 18 Cb 0.00 -1.11 -0.02 0.00 -0.00 0.00 0.00 43.42 42.29 1xax n LEU 18 CO 0.00 -3.11 1.05 -2.16 -0.00 0.00 0.00 177.39 173.16 1xax s PRO 19 N -1.70 3.70 -0.12 1.47 0.04 -1.26 -5.01 135.00 132.13 1xax s PRO 19 Ca 0.64 0.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1xax s PRO 19 Cb -0.54 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 1xax s PRO 19 CO 0.58 -1.41 0.57 0.95 0.04 0.00 0.00 177.00 177.72 1xax s THR 20 N 4.56 5.12 0.03 1.26 -4.23 -1.26 -4.98 115.64 116.14 1xax s THR 20 Ca 0.49 1.14 -0.18 0.00 -1.18 0.00 0.00 61.69 61.96 1xax s THR 20 Cb -0.07 -3.91 -0.21 0.00 1.34 0.00 0.00 72.50 69.65 1xax s THR 20 CO 0.32 0.27 1.16 1.05 -0.54 0.00 0.00 174.62 176.88 1xax h GLU 21 N 6.87 0.48 -0.43 3.99 -0.00 -1.95 -2.79 114.58 120.76 1xax h GLU 21 Ca -0.39 -0.46 0.08 0.00 -0.00 0.00 0.00 59.36 58.59 1xax h GLU 21 Cb 1.18 0.12 -0.09 0.00 -0.00 0.00 0.00 28.75 29.95 1xax h GLU 21 CO 0.76 1.10 -0.33 1.49 -0.00 0.00 0.00 179.01 182.02 1xax h GLU 22 N 0.04 -0.23 0.15 1.06 4.81 -1.97 0.98 114.58 119.42 1xax h GLU 22 Ca -0.06 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1xax h GLU 22 Cb 1.28 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1xax h GLU 22 CO 0.12 -0.16 -0.07 1.96 -0.73 0.00 0.00 179.01 180.13 1xax h GLN 23 N -0.24 -0.19 -0.47 1.92 1.08 -1.98 0.12 115.11 115.33 1xax h GLN 23 Ca 0.18 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.46 1xax h GLN 23 Cb 0.54 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.92 1xax h GLN 23 CO -0.56 -0.13 -0.48 0.82 -0.95 0.00 0.00 178.83 177.52 1xax h ILE 24 N -0.24 0.06 0.44 2.54 2.04 -1.40 0.79 117.51 121.73 1xax h ILE 24 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1xax h ILE 24 Cb 0.15 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1xax h ILE 24 CO 0.03 0.00 -0.43 0.58 0.00 0.00 0.00 178.15 178.33 1xax h VAL 25 N -0.32 0.14 0.61 1.67 2.07 0.92 0.17 116.25 121.51 1xax h VAL 25 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1xax h VAL 25 Cb 0.58 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1xax h VAL 25 CO -0.63 0.00 -0.48 -0.61 0.02 0.00 0.00 177.57 175.87 1xax h GLN 26 N -0.88 -1.02 0.26 1.57 4.15 -0.25 1.92 115.11 120.87 1xax h GLN 26 Ca -0.04 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1xax h GLN 26 Cb 0.78 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1xax h GLN 26 CO -0.06 -0.68 -0.51 2.35 -1.93 0.00 0.00 178.83 178.00 1xax h TRP 27 N -1.06 -1.45 0.00 3.99 2.91 0.60 0.17 115.95 121.11 1xax h TRP 27 Ca -0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.97 1xax h TRP 27 Cb 0.89 0.60 0.00 0.00 -0.51 0.00 0.00 29.16 30.13 1xax h TRP 27 CO -0.19 -0.62 0.00 0.00 -1.03 0.00 0.00 178.44 176.60 1xax n ALA 28 N -2.88 -0.01 0.31 2.65 0.00 0.60 -2.99 120.51 118.20 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 0.43 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.83 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 0.08 0.09 0.00 2.02 -0.16 -0.26 112.91 114.68 1xax h THR 29 Ca 0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 1xax h THR 29 Cb 0.00 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1xax h THR 29 CO 0.00 0.00 -1.15 1.23 0.37 0.00 0.00 175.52 175.97 1xax h GLY 30 N 0.00 0.43 1.99 2.16 0.00 0.58 -2.89 103.07 105.33 1xax h GLY 30 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1xax h GLY 30 CO -0.00 0.81 0.00 0.00 0.00 0.00 0.00 176.54 177.35 1xax h ALA 31 N 0.58 1.97 0.02 3.60 0.00 -0.79 -1.92 119.26 122.72 1xax h ALA 31 Ca -0.13 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1xax h ALA 31 Cb 1.83 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1xax h ALA 31 CO 0.20 -0.01 -1.23 -0.24 0.00 0.00 0.00 179.25 177.97 1xax h VAL 32 N 0.00 1.45 -0.71 0.00 3.04 -1.54 -3.37 116.25 115.12 1xax h VAL 32 Ca 0.00 -3.18 0.14 0.00 -1.01 0.00 0.00 66.70 62.65 1xax h VAL 32 Cb 0.01 2.75 -0.13 0.00 -2.01 0.00 0.00 31.29 31.90 1xax h VAL 32 CO -0.00 0.84 -0.20 1.56 -1.01 0.00 0.00 177.57 178.76 1xax h GLN 33 N 0.01 -0.02 -0.14 4.17 7.50 -1.12 -1.66 115.11 123.85 1xax h GLN 33 Ca -0.10 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.10 1xax h GLN 33 Cb 1.86 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 29.34 1xax h GLN 33 CO 0.13 -0.01 -0.27 -1.00 -1.50 0.00 0.00 178.83 176.17 1xax h PRO 34 N -0.02 -0.33 -1.26 1.46 0.13 -1.72 -2.80 132.00 127.46 1xax h PRO 34 Ca 0.33 0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.80 1xax h PRO 34 Cb 0.53 0.07 -0.31 0.00 0.13 0.00 0.00 31.00 31.43 1xax h PRO 34 CO -0.74 -0.22 0.63 -1.91 -0.23 0.00 0.00 178.00 175.53 1xax n GLU 35 N -5.39 2.86 0.00 0.86 2.13 -0.96 -4.89 120.64 115.25 1xax n GLU 35 Ca -0.03 -3.53 0.00 0.00 0.66 0.00 0.00 57.16 54.27 1xax n GLU 35 Cb 0.30 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.73 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xax n GLY 36 N -0.77 3.42 2.66 8.31 0.00 -0.66 -4.90 105.19 113.24 1xax n GLY 36 Ca 0.57 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1xax n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xax s ASN 37 N 0.00 3.28 0.00 1.61 2.20 -1.25 -3.13 114.94 117.65 1xax s ASN 37 Ca 0.00 -1.12 0.00 0.00 -0.94 0.00 0.00 52.86 50.80 1xax s ASN 37 Cb 0.00 -0.54 0.00 0.00 -2.00 0.00 0.00 41.25 38.71 1xax s ASN 37 CO 0.00 -0.38 0.00 1.21 -2.94 0.00 0.00 177.10 174.99 1xax n GLU 38 N 5.09 0.00 0.00 3.55 2.13 -1.23 -2.85 120.64 127.33 1xax n GLU 38 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1xax n GLU 38 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1xax n GLU 38 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1xax n VAL 39 N 0.00 0.00 -3.62 6.31 3.14 0.55 -4.73 118.33 119.98 1xax n VAL 39 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1xax n VAL 39 Cb 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.61 1xax n VAL 39 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xax s GLU 40 N -2.34 0.12 -0.27 1.45 -1.05 -1.21 0.13 118.70 115.53 1xax s GLU 40 Ca 0.00 -0.13 -0.04 0.00 -0.15 0.00 0.00 54.97 54.65 1xax s GLU 40 Cb 0.00 -1.84 0.01 0.00 -0.44 0.00 0.00 34.13 31.86 1xax s GLU 40 CO 0.00 -0.68 0.01 -1.64 0.95 0.00 0.00 175.26 173.90 1xax s MET 41 N 2.11 3.04 -0.80 -4.83 -1.94 0.94 -1.41 119.30 116.40 1xax s MET 41 Ca 0.02 -0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 53.02 1xax s MET 41 Cb -0.16 -3.17 0.21 0.00 2.01 0.00 0.00 34.83 33.72 1xax s MET 41 CO -0.10 -0.39 0.71 0.99 -0.01 0.00 0.00 175.02 176.23 1xax s THR 42 N 1.43 5.21 0.08 2.05 2.01 0.10 -0.11 115.64 126.42 1xax s THR 42 Ca 0.02 -2.65 -0.30 0.00 0.31 0.00 0.00 61.69 59.07 1xax s THR 42 Cb -0.17 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1xax s THR 42 CO -0.01 -1.01 1.02 0.54 -0.69 0.00 0.00 174.62 174.48 1xax s VAL 43 N 0.01 4.43 -0.16 3.82 0.11 0.11 -0.81 120.40 127.92 1xax s VAL 43 Ca 0.18 1.90 0.01 0.00 -2.93 0.00 0.00 61.98 61.15 1xax s VAL 43 Cb -0.12 -4.22 0.01 0.00 -1.53 0.00 0.00 36.38 30.52 1xax s VAL 43 CO -0.08 0.24 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.14 1xax s ARG 44 N 0.37 3.08 -0.25 1.54 3.52 0.33 -0.12 118.95 127.42 1xax s ARG 44 Ca 0.50 -0.81 -0.09 0.00 -0.13 0.00 0.00 55.73 55.20 1xax s ARG 44 Cb -0.25 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 1xax s ARG 44 CO 0.30 -0.06 0.12 0.42 -0.81 0.00 0.00 175.30 175.27 1xax s ILE 45 N 0.94 4.77 0.00 4.11 -1.09 0.28 -0.06 121.20 130.16 1xax s ILE 45 Ca -0.04 -0.02 -0.28 0.00 -2.23 0.00 0.00 60.65 58.09 1xax s ILE 45 Cb -0.15 -3.24 0.10 0.00 -1.58 0.00 0.00 42.46 37.59 1xax s ILE 45 CO -0.04 0.32 0.84 0.54 -1.23 0.00 0.00 174.94 175.38 1xax s VAL 46 N 1.50 0.00 0.00 2.92 0.11 -1.22 0.65 120.40 124.37 1xax s VAL 46 Ca 0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1xax s VAL 46 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1xax s VAL 46 CO 0.06 0.00 0.00 0.47 -3.33 0.00 0.00 175.10 172.30 1xax n ASP 47 N -0.09 -1.48 -0.07 3.54 8.00 -1.26 -3.90 116.55 121.28 1xax n ASP 47 Ca -0.11 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.33 1xax n ASP 47 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1xax n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1xax h GLU 48 N 0.00 0.00 -0.26 -1.24 5.08 -1.96 -3.28 114.58 112.92 1xax h GLU 48 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1xax h GLU 48 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1xax h GLU 48 CO 0.00 0.13 -0.26 0.00 -1.00 0.00 0.00 179.01 177.87 1xax h ALA 49 N -0.94 -0.16 -0.03 3.43 0.00 -1.98 0.27 119.26 119.85 1xax h ALA 49 Ca -0.04 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xax h ALA 49 Cb 0.60 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1xax h ALA 49 CO -0.03 -0.69 -0.32 1.49 0.00 0.00 0.00 179.25 179.70 1xax h GLU 50 N -0.27 -0.44 0.66 0.00 4.81 -1.96 0.23 114.58 117.61 1xax h GLU 50 Ca 0.14 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1xax h GLU 50 Cb 0.48 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1xax h GLU 50 CO -0.41 -0.29 -0.46 1.03 -0.73 0.00 0.00 179.01 178.15 1xax h SER 51 N -0.46 -1.19 -0.55 1.04 0.87 -1.51 0.40 113.55 112.16 1xax h SER 51 Ca 0.07 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.81 1xax h SER 51 Cb 0.56 0.36 -0.11 0.00 -0.44 0.00 0.00 62.40 62.77 1xax h SER 51 CO -0.29 -0.68 -0.26 0.45 -0.53 0.00 0.00 176.83 175.52 1xax h HIS 52 N -1.07 -0.67 -0.12 2.24 3.86 -0.29 0.97 115.15 120.07 1xax h HIS 52 Ca -0.08 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1xax h HIS 52 Cb 0.88 0.38 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1xax h HIS 52 CO -0.15 -0.34 -0.02 0.93 0.86 0.00 0.00 177.93 179.22 1xax h GLU 53 N -0.12 0.17 -0.60 2.45 3.07 -0.35 -1.63 114.58 117.57 1xax h GLU 53 Ca 0.25 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 1xax h GLU 53 Cb 0.51 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1xax h GLU 53 CO -0.63 0.21 0.16 1.25 -1.40 0.00 0.00 179.01 178.61 1xax h LEU 54 N 0.17 0.86 0.59 1.33 7.12 0.54 0.38 115.31 126.30 1xax h LEU 54 Ca 0.04 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1xax h LEU 54 Cb 0.16 -0.22 0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1xax h LEU 54 CO 0.00 0.83 -0.28 0.78 -0.13 0.00 0.00 178.44 179.64 1xax h ASN 55 N 0.89 -0.67 -0.38 1.25 2.35 0.20 -2.44 115.58 116.77 1xax h ASN 55 Ca 0.19 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1xax h ASN 55 Cb 0.30 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1xax h ASN 55 CO -0.00 -0.32 0.20 -0.07 -1.65 0.00 0.00 177.43 175.59 1xax h LEU 56 N -1.11 0.47 -2.11 1.61 4.07 -1.50 0.85 115.31 117.60 1xax h LEU 56 Ca -0.08 -0.09 0.08 0.00 0.08 0.00 0.00 57.88 57.86 1xax h LEU 56 Cb 0.61 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1xax h LEU 56 CO 0.13 0.43 0.32 0.00 -1.08 0.00 0.00 178.44 178.24 1xax h THR 57 N 0.48 0.39 0.07 0.22 1.03 -0.33 -0.54 112.91 114.24 1xax h THR 57 Ca 0.13 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 66.38 1xax h THR 57 Cb 0.06 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 67.89 1xax h THR 57 CO -0.02 0.00 -0.77 1.88 -0.01 0.00 0.00 175.52 176.60 1xax h TYR 58 N 0.00 0.28 0.00 0.00 0.05 -0.63 -3.47 116.97 113.20 1xax h TYR 58 Ca 0.13 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1xax h TYR 58 Cb 0.76 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1xax h TYR 58 CO 0.00 1.30 0.00 2.89 -1.05 0.00 0.00 178.16 181.30 1xax n ARG 59 N -4.27 0.00 0.00 4.88 0.00 0.14 -5.05 116.66 112.36 1xax n ARG 59 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1xax n ARG 59 Cb 0.72 -0.12 0.00 0.00 -0.00 0.00 0.00 32.46 33.06 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 -0.41 1.17 0.00 2.89 0.00 -0.85 -4.92 105.19 103.08 1xax n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.37 0.00 1.61 4.81 -1.25 -4.82 118.16 118.14 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 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -1.40 -0.47 -3.18 3.14 2.03 -1.26 -4.69 116.55 110.72 1xax n ASP 62 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1xax n ASP 62 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xax n ARG 63 N -0.47 1.07 -1.24 -0.67 3.00 -1.26 -4.75 116.66 112.34 1xax n ARG 63 Ca 0.00 -1.99 -0.09 0.00 -0.01 0.00 0.00 57.85 55.76 1xax n ARG 63 Cb 0.00 0.76 -0.09 0.00 0.00 0.00 0.00 32.46 33.13 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1xax n PRO 64 N -0.62 0.03 -0.89 5.56 -0.02 -1.26 -4.82 135.00 132.98 1xax n PRO 64 Ca -0.08 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1xax n PRO 64 Cb 0.35 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 5.39 0.00 0.03 3.45 5.66 -1.26 -5.06 114.28 122.48 1xax n THR 65 Ca 0.29 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.31 1xax n THR 65 Cb 0.37 -0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 68.27 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 -2.06 3.38 -3.46 1.09 6.94 -1.26 -4.97 115.26 114.92 1xax n ASN 66 Ca 0.00 -0.09 -0.13 0.00 -0.02 0.00 0.00 54.58 54.34 1xax n ASN 66 Cb 0.00 1.19 -0.11 0.00 -2.36 0.00 0.00 39.78 38.50 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 -2.20 -0.47 -0.02 3.53 -7.23 -1.26 -4.33 120.40 108.42 1xax s VAL 67 Ca -0.01 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.14 1xax s VAL 67 Cb 0.03 -0.70 0.01 0.00 0.56 0.00 0.00 36.38 36.28 1xax s VAL 67 CO 0.20 -0.11 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.63 1xax s LEU 68 N 2.45 1.56 0.31 1.32 2.96 -1.24 -5.04 118.68 121.00 1xax s LEU 68 Ca 0.08 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1xax s LEU 68 Cb -0.15 -0.27 -0.06 0.00 0.50 0.00 0.00 46.19 46.21 1xax s LEU 68 CO -0.13 -0.03 0.04 -0.44 -1.32 0.00 0.00 176.35 174.48 1xax s SER 69 N 0.52 2.38 -0.49 3.68 0.01 -1.26 0.71 113.70 119.25 1xax s SER 69 Ca -0.06 -1.35 0.03 0.00 1.31 0.00 0.00 55.95 55.89 1xax s SER 69 Cb -0.09 -0.09 0.14 0.00 0.21 0.00 0.00 66.02 66.19 1xax s SER 69 CO -0.01 -0.57 0.27 -0.36 0.41 0.00 0.00 173.24 172.98 1xax s PHE 70 N -3.27 2.45 0.50 2.43 0.08 0.11 -4.86 117.98 115.42 1xax s PHE 70 Ca 0.35 -2.73 -0.21 0.00 0.12 0.00 0.00 56.93 54.46 1xax s PHE 70 Cb 0.08 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.26 1xax s PHE 70 CO 0.15 -0.75 1.12 -2.14 -0.10 0.00 0.00 175.22 173.50 1xax s PRO 71 N -0.03 3.59 0.89 0.24 0.02 -1.26 -0.19 135.00 138.27 1xax s PRO 71 Ca 0.19 1.62 -0.10 0.00 0.02 0.00 0.00 61.00 62.72 1xax s PRO 71 Cb -0.22 -2.17 0.13 0.00 0.02 0.00 0.00 34.50 32.26 1xax s PRO 71 CO -0.02 -0.66 1.12 -0.59 -0.33 0.00 0.00 177.00 176.52 1xax s PHE 72 N -1.73 1.89 -0.14 6.54 -0.71 -1.26 -4.86 117.98 117.72 1xax s PHE 72 Ca 0.68 1.67 -0.29 0.00 -1.04 0.00 0.00 56.93 57.95 1xax s PHE 72 Cb -0.24 -3.24 -0.07 0.00 -1.21 0.00 0.00 43.02 38.26 1xax s PHE 72 CO 0.28 -2.59 2.14 -0.85 -1.34 0.00 0.00 175.22 172.86 1xax n GLU 73 N -4.07 2.23 -3.39 1.99 0.28 -1.26 -4.94 120.64 111.47 1xax n GLU 73 Ca 0.10 0.70 -0.44 0.00 -0.16 0.00 0.00 57.16 57.36 1xax n GLU 73 Cb 0.53 -3.13 -0.07 0.00 1.43 0.00 0.00 31.44 30.20 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xax n PRO 75 N 5.17 0.00 0.00 0.00 -0.04 -1.26 -4.91 135.00 133.96 1xax n PRO 75 Ca -0.12 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1xax n PRO 75 Cb 0.42 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.69 0.00 0.00 3.54 9.92 -1.26 -5.04 116.55 122.02 1xax n ASP 76 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xax n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xax n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1xax n GLU 77 N -0.47 1.25 -1.15 -1.24 1.02 -1.26 -5.14 120.64 113.65 1xax n GLU 77 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1xax n GLU 77 Cb 0.00 -0.90 -0.05 0.00 -0.02 0.00 0.00 31.44 30.47 1xax n GLU 77 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xax n VAL 78 N -2.07 0.00 -3.10 2.62 0.31 -1.26 -4.84 118.33 109.99 1xax n VAL 78 Ca 0.00 0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1xax n VAL 78 Cb 0.40 -0.63 -0.04 0.00 -0.91 0.00 0.00 33.84 32.66 1xax n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1xax s GLU 79 N -2.94 0.94 -0.21 5.55 2.02 -1.26 -4.87 118.70 117.93 1xax s GLU 79 Ca 0.00 -1.38 -0.27 0.00 0.02 0.00 0.00 54.97 53.34 1xax s GLU 79 Cb 0.00 -0.64 0.10 0.00 0.10 0.00 0.00 34.13 33.69 1xax s GLU 79 CO 0.00 -1.32 0.86 -0.48 0.02 0.00 0.00 175.26 174.34 1xax s LEU 80 N 0.71 -0.57 -0.24 1.80 2.34 -1.26 -4.85 118.68 116.60 1xax s LEU 80 Ca 0.28 0.94 -0.29 0.00 0.06 0.00 0.00 54.13 55.12 1xax s LEU 80 Cb -0.01 2.19 -0.00 0.00 -0.56 0.00 0.00 46.19 47.80 1xax s LEU 80 CO -0.10 -0.30 1.28 -2.16 -1.06 0.00 0.00 176.35 174.00 1xax s PRO 81 N -0.23 4.05 -0.15 1.48 0.04 -1.26 -4.85 135.00 134.07 1xax s PRO 81 Ca -0.01 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1xax s PRO 81 Cb -0.03 -3.83 0.13 0.00 0.04 0.00 0.00 34.50 30.81 1xax s PRO 81 CO 0.00 -0.94 0.99 -0.48 0.04 0.00 0.00 177.00 176.62 1xax s LEU 82 N 3.99 -0.37 0.00 -3.56 0.05 -1.26 -3.29 118.68 114.24 1xax s LEU 82 Ca 0.55 0.39 0.00 0.00 0.05 0.00 0.00 54.13 55.12 1xax s LEU 82 Cb -0.19 1.87 0.00 0.00 -2.05 0.00 0.00 46.19 45.82 1xax s LEU 82 CO 0.19 -0.35 0.00 0.18 -0.55 0.00 0.00 176.35 175.82 1xax n LEU 83 N 0.69 0.00 0.00 1.48 7.99 -0.50 -4.89 117.00 121.76 1xax n LEU 83 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 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 0.16 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.65 1xax n GLY 84 N 2.30 -0.16 3.91 -0.72 0.00 -1.18 -4.43 105.19 104.91 1xax n GLY 84 Ca 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 1xax n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xax s ASP 85 N -4.00 6.35 -0.22 1.61 1.01 0.74 0.00 116.67 122.16 1xax s ASP 85 Ca 0.00 0.73 -0.04 0.00 0.71 0.00 0.00 52.55 53.95 1xax s ASP 85 Cb 0.00 -2.15 0.11 0.00 1.01 0.00 0.00 42.92 41.89 1xax s ASP 85 CO 0.00 -0.36 0.35 -0.22 0.21 0.00 0.00 175.17 175.15 1xax s LEU 86 N -4.18 -0.52 -1.21 1.23 0.20 0.01 0.09 118.68 114.30 1xax s LEU 86 Ca 0.44 0.32 -0.18 0.00 0.69 0.00 0.00 54.13 55.40 1xax s LEU 86 Cb -0.10 1.00 0.10 0.00 -0.43 0.00 0.00 46.19 46.75 1xax s LEU 86 CO 0.37 -0.29 1.57 -0.69 -0.29 0.00 0.00 176.35 177.02 1xax s VAL 87 N 2.51 4.36 0.19 1.68 1.01 0.22 0.12 120.40 130.49 1xax s VAL 87 Ca 0.08 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.87 1xax s VAL 87 Cb -0.15 -5.08 -0.08 0.00 0.00 0.00 0.00 36.38 31.08 1xax s VAL 87 CO -0.14 -1.88 1.04 -0.51 0.00 0.00 0.00 175.10 173.61 1xax s ILE 88 N 3.57 3.99 -0.44 2.22 1.10 0.92 -3.66 121.20 128.89 1xax s ILE 88 Ca 0.48 1.79 -0.29 0.00 -0.51 0.00 0.00 60.65 62.12 1xax s ILE 88 Cb 0.01 -4.14 0.03 0.00 0.15 0.00 0.00 42.46 38.51 1xax s ILE 88 CO 0.02 0.34 1.16 0.00 -2.11 0.00 0.00 174.94 174.35 1xax n ARG 90 N 7.69 0.84 -0.02 0.00 0.63 -1.25 -2.90 116.66 121.65 1xax n ARG 90 Ca 0.12 -0.30 -0.21 0.00 -0.92 0.00 0.00 57.85 56.54 1xax n ARG 90 Cb 0.49 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 31.77 1xax n ARG 90 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1xax h GLN 91 N 0.74 0.20 0.11 -0.14 4.20 -1.90 -3.15 115.11 115.17 1xax h GLN 91 Ca 0.00 -0.34 -0.24 0.00 0.06 0.00 0.00 58.65 58.13 1xax h GLN 91 Cb 0.34 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1xax h GLN 91 CO 0.00 1.16 -1.22 -0.24 -0.67 0.00 0.00 178.83 177.86 1xax h VAL 92 N -0.38 1.16 -0.24 -0.54 3.04 -1.99 -2.97 116.25 114.33 1xax h VAL 92 Ca -0.33 -2.42 -0.07 0.00 -1.01 0.00 0.00 66.70 62.88 1xax h VAL 92 Cb 1.71 2.83 -0.01 0.00 -2.01 0.00 0.00 31.29 33.81 1xax h VAL 92 CO 0.01 0.69 -0.10 -0.37 -1.01 0.00 0.00 177.57 176.78 1xax h VAL 93 N -0.37 1.30 -0.44 1.51 -1.51 -1.75 0.18 116.25 115.16 1xax h VAL 93 Ca -0.26 -1.17 -0.06 0.00 -1.23 0.00 0.00 66.70 63.98 1xax h VAL 93 Cb 1.69 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 32.38 1xax h VAL 93 CO 0.07 0.36 0.01 -0.08 -1.23 0.00 0.00 177.57 176.70 1xax h GLU 94 N 0.23 0.71 -0.00 5.19 4.22 -1.72 0.32 114.58 123.52 1xax h GLU 94 Ca 0.06 -0.18 -0.00 0.00 0.08 0.00 0.00 59.36 59.32 1xax h GLU 94 Cb 0.60 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xax h GLU 94 CO 0.03 0.72 -0.00 -0.09 -2.18 0.00 0.00 179.01 177.49 1xax h ARG 95 N 0.67 0.01 -0.79 1.92 2.43 -1.37 0.47 114.38 117.71 1xax h ARG 95 Ca 0.14 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1xax h ARG 95 Cb 0.40 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1xax h ARG 95 CO 0.01 0.45 0.48 0.93 -1.51 0.00 0.00 179.97 180.33 1xax h GLU 96 N -0.43 1.07 -0.23 0.20 5.08 -0.45 0.22 114.58 120.04 1xax h GLU 96 Ca 0.00 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 1xax h GLU 96 Cb 0.45 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xax h GLU 96 CO 0.00 0.75 -0.49 0.00 -1.00 0.00 0.00 179.01 178.27 1xax h ALA 97 N 1.44 0.36 -0.48 3.43 0.00 -0.29 0.30 119.26 124.02 1xax h ALA 97 Ca 0.29 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1xax h ALA 97 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xax h ALA 97 CO -0.05 0.54 0.15 0.77 0.00 0.00 0.00 179.25 180.66 1xax h SER 98 N 0.46 0.70 1.12 0.00 0.02 0.47 -2.42 113.55 113.89 1xax h SER 98 Ca 0.00 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.63 1xax h SER 98 Cb 1.10 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1xax h SER 98 CO 0.11 0.72 -0.56 1.05 -1.14 0.00 0.00 176.83 177.01 1xax h GLU 99 N 0.65 0.00 0.00 3.45 -0.00 -0.58 -3.07 114.58 115.03 1xax h GLU 99 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.51 1xax h GLU 99 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.02 1xax h GLU 99 CO -0.01 0.56 -0.02 1.96 -0.00 0.00 0.00 179.01 181.51 1xax h GLN 100 N 0.00 0.00 -5.26 1.06 1.08 -0.04 -3.47 115.11 108.48 1xax h GLN 100 Ca -0.01 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.84 1xax h GLN 100 Cb 1.27 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.83 1xax h GLN 100 CO 0.07 0.02 -0.60 0.39 -0.95 0.00 0.00 178.83 177.76 1xax n GLU 101 N -3.12 -7.02 -4.37 1.46 -0.58 -0.94 -5.02 120.64 101.05 1xax n GLU 101 Ca 0.00 0.73 -0.21 0.00 -0.42 0.00 0.00 57.16 57.26 1xax n GLU 101 Cb 0.29 -5.48 -0.11 0.00 -0.57 0.00 0.00 31.44 25.57 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1xax s LYS 102 N -6.15 1.38 -0.22 3.49 1.02 -1.22 -5.08 119.74 112.96 1xax s LYS 102 Ca 0.51 -1.54 -0.35 0.00 0.02 0.00 0.00 55.97 54.61 1xax s LYS 102 Cb -0.23 -1.37 -0.11 0.00 -0.52 0.00 0.00 37.83 35.60 1xax s LYS 102 CO 0.64 0.26 2.00 -2.30 -0.92 0.00 0.00 175.35 175.03 1xax n PRO 103 N -0.10 1.65 0.28 -1.68 -0.02 -1.26 -4.82 135.00 129.04 1xax n PRO 103 Ca -0.10 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.09 1xax n PRO 103 Cb 0.59 -2.57 0.91 0.00 -0.02 0.00 0.00 33.50 32.40 1xax n PRO 103 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xax h LEU 104 N 10.61 0.00 -0.53 2.45 6.46 -1.98 -2.18 115.31 130.14 1xax h LEU 104 Ca -0.40 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.41 1xax h LEU 104 Cb 1.29 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.17 1xax h LEU 104 CO 0.98 0.00 0.26 -0.03 -0.62 0.00 0.00 178.44 179.02 1xax h MET 105 N 0.00 0.48 -0.40 1.25 4.05 -2.00 -2.27 114.93 116.04 1xax h MET 105 Ca 0.02 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.27 1xax h MET 105 Cb 0.12 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1xax h MET 105 CO -0.00 0.32 -0.32 0.00 0.23 0.00 0.00 176.91 177.14 1xax h ALA 106 N 1.30 0.67 -0.58 0.39 0.00 -1.78 -3.06 119.26 116.20 1xax h ALA 106 Ca 0.24 -0.43 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1xax h ALA 106 Cb 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1xax h ALA 106 CO -0.18 0.67 -0.17 1.25 0.00 0.00 0.00 179.25 180.82 1xax h HIS 107 N 0.76 -0.39 -0.50 0.00 6.17 -1.34 0.27 115.15 120.11 1xax h HIS 107 Ca 0.08 0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.18 1xax h HIS 107 Cb 0.89 0.26 -0.02 0.00 2.52 0.00 0.00 27.41 31.06 1xax h HIS 107 CO 0.05 -0.27 0.18 -1.49 0.71 0.00 0.00 177.93 177.12 1xax h TRP 108 N -0.03 0.79 -0.15 5.26 6.55 -1.50 0.89 115.95 127.76 1xax h TRP 108 Ca 0.28 -0.07 0.03 0.00 0.95 0.00 0.00 58.89 60.08 1xax h TRP 108 Cb 0.45 -0.23 -0.03 0.00 -0.86 0.00 0.00 29.16 28.49 1xax h TRP 108 CO -0.50 0.67 -0.06 0.00 -1.05 0.00 0.00 178.44 177.50 1xax h ALA 109 N 1.04 0.08 -0.15 1.49 0.00 -0.97 0.45 119.26 121.20 1xax h ALA 109 Ca 0.17 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xax h ALA 109 Cb 0.23 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xax h ALA 109 CO -0.01 -0.50 -0.17 1.25 0.00 0.00 0.00 179.25 179.82 1xax h HIS 110 N -0.03 0.45 0.63 0.00 -0.00 -0.39 -3.04 115.15 112.77 1xax h HIS 110 Ca 0.08 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1xax h HIS 110 Cb 0.15 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1xax h HIS 110 CO -0.20 0.78 -0.45 0.52 -0.00 0.00 0.00 177.93 178.58 1xax h MET 111 N -0.01 -0.99 -0.76 5.26 2.07 0.11 0.35 114.93 120.96 1xax h MET 111 Ca 0.02 0.07 0.17 0.00 -2.07 0.00 0.00 59.70 57.89 1xax h MET 111 Cb 0.71 0.22 -0.13 0.00 -1.87 0.00 0.00 31.60 30.54 1xax h MET 111 CO 0.04 -0.66 0.03 -0.24 1.07 0.00 0.00 176.91 177.15 1xax h VAL 112 N -1.03 0.35 0.00 -2.22 3.04 -0.21 0.70 116.25 116.88 1xax h VAL 112 Ca -0.08 -0.04 -0.08 0.00 -1.01 0.00 0.00 66.70 65.48 1xax h VAL 112 Cb 0.84 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1xax h VAL 112 CO 0.04 0.02 -0.40 0.58 -1.01 0.00 0.00 177.57 176.81 1xax h VAL 113 N 0.12 0.98 -0.01 1.51 2.07 -1.39 0.16 116.25 119.69 1xax h VAL 113 Ca 0.42 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1xax h VAL 113 Cb 0.75 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1xax h VAL 113 CO -0.66 0.39 -0.02 1.12 0.02 0.00 0.00 177.57 178.43 1xax h HIS 114 N 0.00 0.03 0.00 1.57 2.07 0.44 -1.70 115.15 117.56 1xax h HIS 114 Ca -0.00 -0.01 -0.16 0.00 -2.85 0.00 0.00 60.37 57.34 1xax h HIS 114 Cb 0.87 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.82 1xax h HIS 114 CO 0.00 0.57 -0.76 0.78 -3.07 0.00 0.00 177.93 175.45 1xax h GLY 115 N -0.51 0.00 0.44 6.13 0.00 -0.49 -2.99 103.07 105.65 1xax h GLY 115 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xax h GLY 115 CO 0.00 0.00 -0.09 0.23 0.00 0.00 0.00 176.54 176.69 1xax h SER 116 N 0.00 -0.20 0.70 0.19 0.87 -0.73 -2.91 113.55 111.47 1xax h SER 116 Ca -0.01 -0.33 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1xax h SER 116 Cb 1.48 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1xax h SER 116 CO 0.10 0.31 -0.47 0.25 -0.53 0.00 0.00 176.83 176.48 1xax h LEU 117 N -0.80 -1.22 -1.96 2.23 5.85 -1.42 0.77 115.31 118.77 1xax h LEU 117 Ca -0.02 0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.94 1xax h LEU 117 Cb 0.52 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1xax h LEU 117 CO 0.04 -0.70 0.51 0.45 -0.34 0.00 0.00 178.44 178.40 1xax h HIS 118 N -1.11 0.00 0.00 1.25 3.86 -1.66 0.35 115.15 117.84 1xax h HIS 118 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1xax h HIS 118 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1xax h HIS 118 CO -0.14 0.00 -1.80 -0.11 0.86 0.00 0.00 177.93 176.74 1xax n LEU 119 N -3.91 0.17 -0.00 2.43 0.00 -0.92 -4.79 117.00 109.98 1xax n LEU 119 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 56.01 56.11 1xax n LEU 119 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 43.42 44.15 1xax n LEU 119 CO 0.31 0.00 -0.03 -0.11 0.00 0.00 0.00 177.39 177.57 1xax n LEU 120 N -2.23 0.13 0.00 -1.96 7.94 0.26 -5.00 117.00 116.14 1xax n LEU 120 Ca -0.03 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1xax n LEU 120 Cb 0.55 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1xax n LEU 120 CO 0.45 -0.50 0.00 0.61 -1.11 0.00 0.00 177.39 176.84 1xax n GLY 121 N 2.61 0.79 0.57 -3.96 0.00 0.10 -4.93 105.19 100.36 1xax n GLY 121 Ca -0.01 -0.74 0.36 0.00 0.00 0.00 0.00 46.02 45.63 1xax n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xax h TYR 122 N 0.00 0.00 -0.35 1.61 0.05 -1.90 0.13 116.97 116.51 1xax h TYR 122 Ca 0.00 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.88 1xax h TYR 122 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1xax h TYR 122 CO 0.00 0.00 0.56 -0.44 -1.05 0.00 0.00 178.16 177.23 1xax h ASP 123 N 0.00 0.00 -2.81 3.88 5.19 -1.95 -3.41 116.42 117.32 1xax h ASP 123 Ca 0.60 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 56.44 1xax h ASP 123 Cb 2.83 0.00 0.19 0.00 0.18 0.00 0.00 39.33 42.53 1xax h ASP 123 CO -0.01 0.00 -0.74 0.00 -3.12 0.00 0.00 179.24 175.37 1xax n HIS 124 N -3.32 -1.80 -2.42 4.55 1.44 0.45 -4.04 115.22 110.08 1xax n HIS 124 Ca 0.06 0.32 0.00 0.00 -2.01 0.00 0.00 57.72 56.09 1xax n HIS 124 Cb 0.70 -1.81 0.00 0.00 0.12 0.00 0.00 29.99 29.00 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 -2.24 -1.07 1.71 0.61 -5.35 -1.26 -4.22 119.36 107.54 1xax n ILE 125 Ca 0.08 0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.71 1xax n ILE 125 Cb 0.50 -2.05 0.00 0.00 -1.74 0.00 0.00 39.64 36.35 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 1.73 0.94 0.00 6.28 0.28 -1.26 -2.64 120.64 125.97 1xax n GLU 126 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1xax n GLU 126 Cb 0.15 -1.09 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1xax n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xax n ASP 127 N -0.40 0.00 0.00 -1.84 9.92 -1.26 -4.73 116.55 118.24 1xax n ASP 127 Ca 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1xax n ASP 127 Cb 0.04 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 1xax n ASP 127 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xax n ASP 128 N -2.21 0.00 -0.61 -2.24 9.92 -1.26 -4.59 116.55 115.56 1xax n ASP 128 Ca 0.00 0.00 0.48 0.00 -0.53 0.00 0.00 54.79 54.74 1xax n ASP 128 Cb 0.00 0.00 0.76 0.00 -0.64 0.00 0.00 41.12 41.24 1xax n ASP 128 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1xax n GLU 129 N -0.99 -0.02 0.00 -1.24 0.00 -1.26 -2.26 120.64 114.87 1xax n GLU 129 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 57.16 58.32 1xax n GLU 129 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 31.44 28.94 1xax n GLU 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xax n ALA 130 N -2.75 -0.12 -0.25 4.31 0.00 -1.08 0.13 120.51 120.75 1xax n ALA 130 Ca 0.43 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.92 1xax n ALA 130 Cb 1.84 0.16 0.18 0.00 0.00 0.00 0.00 19.45 21.63 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 0.33 0.75 0.00 3.07 -1.70 0.53 114.58 117.56 1xax h GLU 131 Ca 0.00 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1xax h GLU 131 Cb 0.00 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1xax h GLU 131 CO 0.00 0.22 -0.36 1.49 -1.40 0.00 0.00 179.01 178.96 1xax h GLU 132 N 0.34 -0.97 -0.29 2.33 4.57 -1.38 0.36 114.58 119.54 1xax h GLU 132 Ca 0.40 0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.69 1xax h GLU 132 Cb 0.64 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.42 1xax h GLU 132 CO -0.45 -0.65 0.07 1.98 -1.18 0.00 0.00 179.01 178.78 1xax h MET 133 N -1.02 0.18 -0.71 1.92 4.05 0.14 0.24 114.93 119.72 1xax h MET 133 Ca -0.10 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.35 1xax h MET 133 Cb 0.77 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.48 1xax h MET 133 CO 0.17 0.12 0.43 0.93 0.23 0.00 0.00 176.91 178.79 1xax h GLU 134 N 0.18 0.80 0.80 0.39 3.07 0.05 0.95 114.58 120.82 1xax h GLU 134 Ca 0.13 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1xax h GLU 134 Cb 0.13 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1xax h GLU 134 CO -0.16 0.53 -0.38 1.03 -1.40 0.00 0.00 179.01 178.62 1xax h SER 135 N 0.82 -0.91 -0.11 1.42 0.87 0.47 0.20 113.55 116.31 1xax h SER 135 Ca 0.30 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1xax h SER 135 Cb 0.08 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1xax h SER 135 CO -0.14 -0.58 0.06 0.17 -0.53 0.00 0.00 176.83 175.81 1xax h LEU 136 N -1.20 0.18 0.35 2.23 8.10 -0.37 0.33 115.31 124.91 1xax h LEU 136 Ca -0.11 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.85 1xax h LEU 136 Cb 0.84 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1xax h LEU 136 CO 0.18 0.17 -0.17 -0.08 -4.11 0.00 0.00 178.44 174.43 1xax h GLU 137 N 0.20 -0.45 0.00 0.17 4.22 0.11 -0.54 114.58 118.29 1xax h GLU 137 Ca 0.05 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.49 1xax h GLU 137 Cb 0.05 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xax h GLU 137 CO -0.01 -0.14 -0.16 1.15 -2.18 0.00 0.00 179.01 177.68 1xax h THR 138 N -0.81 0.60 -0.01 0.32 2.02 -0.28 0.30 112.91 115.06 1xax h THR 138 Ca -0.05 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1xax h THR 138 Cb 0.52 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1xax h THR 138 CO 0.08 0.15 -0.04 -0.61 0.37 0.00 0.00 175.52 175.48 1xax h GLN 139 N 0.00 0.03 0.01 6.66 4.15 -0.22 1.09 115.11 126.84 1xax h GLN 139 Ca -0.00 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.19 1xax h GLN 139 Cb 0.45 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1xax h GLN 139 CO 0.02 0.72 -0.94 0.82 -1.93 0.00 0.00 178.83 177.52 1xax h ILE 140 N -0.64 1.61 0.00 2.39 2.04 -1.00 0.99 117.51 122.90 1xax h ILE 140 Ca -0.00 -3.02 -0.05 0.00 1.00 0.00 0.00 64.86 62.79 1xax h ILE 140 Cb 0.73 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 1xax h ILE 140 CO 0.01 0.87 -0.50 0.24 0.00 0.00 0.00 178.15 178.77 1xax h MET 141 N 0.03 0.00 0.02 2.37 2.86 -0.49 -3.34 114.93 116.38 1xax h MET 141 Ca -0.03 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.34 1xax h MET 141 Cb 1.63 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.25 1xax h MET 141 CO 0.13 0.30 -1.48 0.37 1.06 0.00 0.00 176.91 177.29 1xax h GLN 142 N -1.00 0.05 -0.88 1.72 4.15 0.56 -3.33 115.11 116.37 1xax h GLN 142 Ca -0.07 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.17 1xax h GLN 142 Cb 0.60 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.26 1xax h GLN 142 CO -0.04 0.77 0.12 0.41 -1.93 0.00 0.00 178.83 178.15 1xax n GLY 143 N 1.53 2.58 0.55 2.39 0.00 0.30 -4.16 105.19 108.37 1xax n GLY 143 Ca -0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1xax n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xax n LEU 144 N 0.07 1.42 0.00 0.99 -0.00 -1.14 -4.74 117.00 113.60 1xax n LEU 144 Ca 0.19 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 1xax n LEU 144 Cb 0.83 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1xax n LEU 144 CO 0.20 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 1xax n GLY 145 N 2.35 0.73 0.00 -3.96 0.00 -1.26 -5.12 105.19 97.94 1xax n GLY 145 Ca -0.12 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.81 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01