#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 5.15 -1.18 -3.33 -7.23 -1.23 0.27 120.40 112.85 1xax s VAL 4 Ca 0.00 -2.73 -0.18 0.00 -1.81 0.00 0.00 61.98 57.25 1xax s VAL 4 Cb 0.00 -4.20 0.09 0.00 0.56 0.00 0.00 36.38 32.83 1xax s VAL 4 CO 0.00 -1.01 1.55 -0.22 -0.31 0.00 0.00 175.10 175.11 1xax s LEU 5 N -0.09 4.13 -0.16 1.32 2.96 0.17 -4.92 118.68 122.10 1xax s LEU 5 Ca 0.19 -2.30 -0.06 0.00 -0.22 0.00 0.00 54.13 51.75 1xax s LEU 5 Cb -0.12 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1xax s LEU 5 CO -0.08 -1.15 0.04 0.68 -1.32 0.00 0.00 176.35 174.52 1xax s VAL 6 N 3.70 4.61 -0.42 1.68 -7.23 -1.25 -0.20 120.40 121.28 1xax s VAL 6 Ca 0.48 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.56 1xax s VAL 6 Cb 0.01 -3.04 0.13 0.00 0.56 0.00 0.00 36.38 34.03 1xax s VAL 6 CO 0.01 0.50 0.21 -0.62 -0.31 0.00 0.00 175.10 174.88 1xax s ASP 7 N 0.11 3.82 -0.12 4.85 2.15 0.29 -4.95 116.67 122.82 1xax s ASP 7 Ca 0.04 -2.47 -0.10 0.00 0.43 0.00 0.00 52.55 50.45 1xax s ASP 7 Cb -0.12 -1.08 -0.05 0.00 -0.30 0.00 0.00 42.92 41.37 1xax s ASP 7 CO 0.01 -0.29 0.21 -1.48 -0.17 0.00 0.00 175.17 173.45 1xax s LEU 8 N 0.54 4.35 -0.05 -1.34 0.05 -1.25 0.11 118.68 121.09 1xax s LEU 8 Ca 0.16 0.52 -0.02 0.00 0.05 0.00 0.00 54.13 54.84 1xax s LEU 8 Cb -0.23 -2.22 0.03 0.00 -2.05 0.00 0.00 46.19 41.72 1xax s LEU 8 CO -0.04 0.30 0.11 0.00 -0.55 0.00 0.00 176.35 176.17 1xax s GLN 9 N -0.54 0.06 0.41 1.48 -2.07 0.62 -4.91 119.66 114.71 1xax s GLN 9 Ca 0.16 0.28 -0.17 0.00 -1.82 0.00 0.00 55.36 53.81 1xax s GLN 9 Cb -0.13 -0.16 -0.09 0.00 -1.09 0.00 0.00 33.01 31.54 1xax s GLN 9 CO 0.05 -0.14 0.87 -1.50 -1.32 0.00 0.00 175.29 173.25 1xax s ILE 10 N 0.95 4.55 -0.40 3.63 1.10 -1.26 -0.27 121.20 129.50 1xax s ILE 10 Ca -0.07 1.18 0.05 0.00 -0.51 0.00 0.00 60.65 61.29 1xax s ILE 10 Cb -0.10 -3.64 0.46 0.00 0.15 0.00 0.00 42.46 39.33 1xax s ILE 10 CO -0.04 -0.38 1.42 0.00 -2.11 0.00 0.00 174.94 173.83 1xax n ALA 11 N -0.82 5.39 -2.35 1.50 0.00 0.30 -4.81 120.51 119.71 1xax n ALA 11 Ca 0.05 -3.71 -0.17 0.00 0.00 0.00 0.00 53.44 49.61 1xax n ALA 11 Cb 0.54 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 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 -4.68 1.43 0.14 0.00 -4.23 -1.26 -4.82 115.64 102.22 1xax s THR 12 Ca 0.55 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.93 1xax s THR 12 Cb 0.44 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 1xax s THR 12 CO 0.02 -0.60 1.49 -0.33 -0.54 0.00 0.00 174.62 174.66 1xax h GLU 13 N 2.91 0.93 -3.33 3.99 3.07 -2.02 -3.44 114.58 116.70 1xax h GLU 13 Ca -0.38 -0.47 -0.26 0.00 -0.50 0.00 0.00 59.36 57.75 1xax h GLU 13 Cb 1.20 0.01 -0.32 0.00 -0.84 0.00 0.00 28.75 28.80 1xax h GLU 13 CO 0.59 1.12 -0.63 -0.80 -1.40 0.00 0.00 179.01 177.89 1xax s ASN 14 N -6.78 -0.06 -0.03 1.42 0.01 -1.26 -5.12 114.94 103.12 1xax s ASN 14 Ca -0.11 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.97 1xax s ASN 14 Cb 0.11 0.12 -0.07 0.00 0.41 0.00 0.00 41.25 41.82 1xax s ASN 14 CO 0.87 -0.14 1.85 -0.63 -1.51 0.00 0.00 177.10 177.55 1xax s ILE 15 N 1.13 3.26 -0.20 0.60 1.09 -1.26 -4.85 121.20 120.97 1xax s ILE 15 Ca -0.09 0.32 0.07 0.00 -1.10 0.00 0.00 60.65 59.85 1xax s ILE 15 Cb -0.12 -3.22 -0.22 0.00 -1.06 0.00 0.00 42.46 37.85 1xax s ILE 15 CO -0.05 -0.05 0.05 -0.62 -0.10 0.00 0.00 174.94 174.18 1xax n GLU 16 N 7.51 0.68 -2.74 2.79 4.71 -1.26 -4.77 120.64 127.56 1xax n GLU 16 Ca 0.20 0.13 -0.09 0.00 -0.01 0.00 0.00 57.16 57.39 1xax n GLU 16 Cb 0.42 -1.58 0.09 0.00 -1.01 0.00 0.00 31.44 29.37 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xax n GLY 17 N 1.98 0.90 2.60 0.62 0.00 -1.26 -5.09 105.19 104.94 1xax n GLY 17 Ca -0.37 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1xax n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xax s LEU 18 N -2.52 0.35 0.00 0.99 2.01 -1.26 -5.04 118.68 113.21 1xax s LEU 18 Ca 0.23 -1.21 -0.07 0.00 0.01 0.00 0.00 54.13 53.08 1xax s LEU 18 Cb 0.32 -0.11 0.11 0.00 0.01 0.00 0.00 46.19 46.52 1xax s LEU 18 CO -0.06 -0.41 0.25 -2.65 1.01 0.00 0.00 176.35 174.49 1xax n PRO 19 N 5.17 -0.37 -3.87 1.29 -0.02 -1.26 -4.94 135.00 131.00 1xax n PRO 19 Ca -0.03 -0.42 -0.22 0.00 -2.02 0.00 0.00 63.50 60.81 1xax n PRO 19 Cb 0.43 -1.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.88 1xax n PRO 19 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xax s THR 20 N -1.62 5.24 0.14 3.45 -4.23 -1.26 -4.96 115.64 112.40 1xax s THR 20 Ca 0.19 -0.89 -0.18 0.00 -1.18 0.00 0.00 61.69 59.63 1xax s THR 20 Cb -0.03 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.96 1xax s THR 20 CO 0.16 -0.35 1.72 1.05 -0.54 0.00 0.00 174.62 176.65 1xax h GLU 21 N 1.15 0.10 -0.50 3.99 4.11 -1.94 -1.22 114.58 120.27 1xax h GLU 21 Ca -0.51 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.00 1xax h GLU 21 Cb 1.23 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1xax h GLU 21 CO 0.61 0.07 -0.34 0.93 0.07 0.00 0.00 179.01 180.35 1xax h GLU 22 N 0.10 -0.20 0.17 1.06 5.08 -1.97 1.00 114.58 119.82 1xax h GLU 22 Ca 0.14 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1xax h GLU 22 Cb 0.17 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xax h GLU 22 CO -0.22 -0.14 -0.08 1.96 -1.00 0.00 0.00 179.01 179.53 1xax h GLN 23 N -0.21 -0.22 -0.25 2.33 4.20 -1.90 0.11 115.11 119.18 1xax h GLN 23 Ca 0.20 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.96 1xax h GLN 23 Cb 0.55 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1xax h GLN 23 CO -0.62 -0.15 -0.48 0.82 -0.67 0.00 0.00 178.83 177.74 1xax h ILE 24 N -0.25 0.00 0.13 2.54 2.04 -1.06 0.85 117.51 121.77 1xax h ILE 24 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1xax h ILE 24 Cb 0.17 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.21 1xax h ILE 24 CO 0.04 0.00 -0.50 0.58 0.00 0.00 0.00 178.15 178.27 1xax h VAL 25 N -0.42 0.04 0.36 1.67 2.07 0.94 0.29 116.25 121.21 1xax h VAL 25 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1xax h VAL 25 Cb 0.55 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1xax h VAL 25 CO -0.45 0.00 -0.35 -0.61 0.02 0.00 0.00 177.57 176.18 1xax h GLN 26 N -0.74 -0.70 0.27 1.57 4.15 -0.45 1.09 115.11 120.30 1xax h GLN 26 Ca 0.00 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1xax h GLN 26 Cb 0.75 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 1xax h GLN 26 CO -0.27 -0.47 -0.44 2.35 -1.93 0.00 0.00 178.83 178.07 1xax h TRP 27 N -0.73 -1.25 0.00 3.99 2.91 0.87 0.20 115.95 121.95 1xax h TRP 27 Ca -0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1xax h TRP 27 Cb 0.66 0.51 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 1xax h TRP 27 CO -0.20 -0.54 0.00 0.00 -1.03 0.00 0.00 178.44 176.67 1xax n ALA 28 N -2.79 -0.04 -0.31 2.65 0.00 0.10 -2.67 120.51 117.45 1xax n ALA 28 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1xax n ALA 28 Cb 0.37 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.07 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 1.04 -0.03 0.00 2.02 -0.50 -1.16 112.91 114.28 1xax h THR 29 Ca 0.00 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1xax h THR 29 Cb 0.00 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 1xax h THR 29 CO 0.00 0.18 -0.19 1.23 0.37 0.00 0.00 175.52 177.11 1xax h GLY 30 N 1.01 0.06 2.00 2.16 0.00 0.42 -1.88 103.07 106.84 1xax h GLY 30 Ca 0.40 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1xax h GLY 30 CO -0.16 0.03 -0.18 0.00 0.00 0.00 0.00 176.54 176.23 1xax h ALA 31 N 1.76 0.93 0.00 3.60 0.00 -0.51 -3.11 119.26 121.93 1xax h ALA 31 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xax h ALA 31 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xax h ALA 31 CO 0.03 0.23 -0.67 1.55 0.00 0.00 0.00 179.25 180.39 1xax n VAL 32 N -3.21 0.08 -2.24 0.00 3.14 -0.76 -4.24 118.33 111.09 1xax n VAL 32 Ca 0.02 -0.08 -0.24 0.00 -2.96 0.00 0.00 64.34 61.08 1xax n VAL 32 Cb 0.51 0.27 0.01 0.00 -1.06 0.00 0.00 33.84 33.57 1xax n VAL 32 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1xax n GLN 33 N -1.67 3.41 0.28 1.45 -0.06 -0.91 -4.79 117.38 115.09 1xax n GLN 33 Ca 0.04 -4.25 0.17 0.00 -2.00 0.00 0.00 57.00 50.96 1xax n GLN 33 Cb 0.37 -2.22 0.73 0.00 -4.06 0.00 0.00 30.24 25.06 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1xax h PRO 34 N 2.37 0.00 0.00 3.69 0.13 -1.73 -3.32 132.00 133.13 1xax h PRO 34 Ca 0.31 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.32 1xax h PRO 34 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1xax h PRO 34 CO 0.77 0.05 -1.34 0.39 -0.23 0.00 0.00 178.00 177.63 1xax n GLU 35 N -3.19 0.50 0.00 0.86 1.02 -1.26 -5.11 120.64 113.45 1xax n GLU 35 Ca -0.00 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1xax n GLU 35 Cb 0.28 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xax n GLY 36 N 1.58 3.12 3.04 0.62 0.00 -1.25 -5.19 105.19 107.11 1xax n GLY 36 Ca -0.23 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 0.08 -4.19 1.61 4.13 -1.26 -5.00 115.26 110.63 1xax n ASN 37 Ca 0.00 -3.03 -0.35 0.00 1.68 0.00 0.00 54.58 52.88 1xax n ASN 37 Cb 0.00 1.32 -0.14 0.00 -1.54 0.00 0.00 39.78 39.42 1xax n ASN 37 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1xax s GLU 38 N -3.33 2.64 0.03 3.52 1.03 -1.26 0.40 118.70 121.73 1xax s GLU 38 Ca 0.30 -1.11 -0.26 0.00 0.03 0.00 0.00 54.97 53.93 1xax s GLU 38 Cb 0.01 -3.07 0.06 0.00 -0.80 0.00 0.00 34.13 30.33 1xax s GLU 38 CO 0.21 -0.50 0.60 0.14 -1.33 0.00 0.00 175.26 174.38 1xax s VAL 39 N 1.29 0.01 -0.26 1.83 -7.23 0.14 -4.62 120.40 111.56 1xax s VAL 39 Ca -0.03 -0.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.96 1xax s VAL 39 Cb -0.18 -0.98 0.12 0.00 0.56 0.00 0.00 36.38 35.90 1xax s VAL 39 CO -0.03 -0.05 0.55 -1.83 -0.31 0.00 0.00 175.10 173.43 1xax s GLU 40 N -2.18 0.47 -0.02 4.82 -1.05 -1.26 0.46 118.70 119.94 1xax s GLU 40 Ca -0.07 1.27 0.02 0.00 -0.15 0.00 0.00 54.97 56.04 1xax s GLU 40 Cb -0.01 0.64 0.01 0.00 -0.44 0.00 0.00 34.13 34.33 1xax s GLU 40 CO 0.01 -0.23 -0.06 -1.64 0.95 0.00 0.00 175.26 174.29 1xax s MET 41 N 2.78 0.66 -0.01 -4.83 1.00 0.72 -1.60 119.30 118.01 1xax s MET 41 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 55.69 55.46 1xax s MET 41 Cb -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 34.83 34.02 1xax s MET 41 CO -0.16 0.05 0.10 0.99 0.00 0.00 0.00 175.02 176.00 1xax s THR 42 N 0.28 4.89 -0.01 2.05 2.01 0.19 -0.55 115.64 124.49 1xax s THR 42 Ca -0.03 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1xax s THR 42 Cb -0.08 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.20 1xax s THR 42 CO -0.00 0.34 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.58 1xax s VAL 43 N -1.22 0.09 -0.10 3.82 1.01 0.30 0.13 120.40 124.43 1xax s VAL 43 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1xax s VAL 43 Cb -0.12 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1xax s VAL 43 CO 0.15 0.07 -0.09 -0.60 0.00 0.00 0.00 175.10 174.63 1xax s ARG 44 N 0.43 1.55 -0.45 2.72 3.52 0.11 -0.27 118.95 126.56 1xax s ARG 44 Ca -0.04 -0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.15 1xax s ARG 44 Cb -0.06 -1.50 0.09 0.00 -1.56 0.00 0.00 34.95 31.91 1xax s ARG 44 CO -0.01 -0.17 0.32 0.42 -0.81 0.00 0.00 175.30 175.05 1xax s ILE 45 N 1.36 4.56 0.04 4.11 1.09 0.62 0.98 121.20 133.96 1xax s ILE 45 Ca -0.02 -1.36 -0.06 0.00 -1.10 0.00 0.00 60.65 58.11 1xax s ILE 45 Cb -0.14 -3.81 -0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1xax s ILE 45 CO -0.04 -0.58 0.11 0.54 -0.10 0.00 0.00 174.94 174.87 1xax s VAL 46 N 1.49 0.14 0.78 2.92 0.11 -0.40 0.11 120.40 125.53 1xax s VAL 46 Ca 0.04 -1.12 -0.16 0.00 -2.93 0.00 0.00 61.98 57.81 1xax s VAL 46 Cb -0.24 -0.98 -0.07 0.00 -1.53 0.00 0.00 36.38 33.57 1xax s VAL 46 CO 0.03 -0.62 0.15 -0.67 -3.33 0.00 0.00 175.10 170.67 1xax n ASP 47 N 0.64 -2.65 0.24 3.54 2.03 -1.26 -2.47 116.55 116.62 1xax n ASP 47 Ca -0.18 0.48 -0.18 0.00 0.52 0.00 0.00 54.79 55.43 1xax n ASP 47 Cb 0.59 -1.07 -0.10 0.00 -0.72 0.00 0.00 41.12 39.82 1xax n ASP 47 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xax h GLU 48 N -0.62 -0.89 -0.45 -0.67 4.81 -1.90 0.51 114.58 115.37 1xax h GLU 48 Ca -0.44 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1xax h GLU 48 Cb 1.34 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.85 1xax h GLU 48 CO 0.37 -0.59 -0.06 0.00 -0.73 0.00 0.00 179.01 178.00 1xax h ALA 49 N -0.73 0.35 -0.07 2.92 0.00 -1.98 0.35 119.26 120.11 1xax h ALA 49 Ca -0.04 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xax h ALA 49 Cb 0.83 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1xax h ALA 49 CO -0.13 -0.42 0.02 0.93 0.00 0.00 0.00 179.25 179.65 1xax h GLU 50 N 0.05 0.06 0.38 0.00 4.39 -1.83 0.25 114.58 117.88 1xax h GLU 50 Ca 0.22 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1xax h GLU 50 Cb 0.34 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1xax h GLU 50 CO -0.43 0.04 -0.27 0.66 -1.16 0.00 0.00 179.01 177.85 1xax h SER 51 N 0.06 -0.68 -0.36 1.42 4.64 0.84 0.50 113.55 119.96 1xax h SER 51 Ca 0.03 0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1xax h SER 51 Cb 0.01 0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1xax h SER 51 CO -0.03 -0.41 0.25 0.45 -0.87 0.00 0.00 176.83 176.22 1xax h HIS 52 N -0.63 0.21 0.26 4.77 3.86 -0.22 0.20 115.15 123.59 1xax h HIS 52 Ca -0.03 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1xax h HIS 52 Cb 0.54 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1xax h HIS 52 CO -0.12 0.11 -0.12 0.93 0.86 0.00 0.00 177.93 179.59 1xax h GLU 53 N 0.21 -0.33 -0.02 2.45 3.07 0.33 -2.97 114.58 117.32 1xax h GLU 53 Ca 0.16 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.07 1xax h GLU 53 Cb 0.38 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1xax h GLU 53 CO -0.03 -0.02 -0.13 1.25 -1.40 0.00 0.00 179.01 178.68 1xax h LEU 54 N -0.97 -0.40 -0.38 1.33 5.85 0.34 1.02 115.31 122.09 1xax h LEU 54 Ca -0.04 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1xax h LEU 54 Cb 0.47 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1xax h LEU 54 CO 0.06 -0.19 -0.51 -1.13 -0.34 0.00 0.00 178.44 176.33 1xax h ASN 55 N -0.22 -1.70 1.10 1.25 -1.24 -0.73 0.11 115.58 114.16 1xax h ASN 55 Ca 0.05 0.22 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 1xax h ASN 55 Cb 0.29 0.70 -0.00 0.00 0.73 0.00 0.00 38.32 40.03 1xax h ASN 55 CO -0.15 -0.36 -0.11 -0.07 -1.29 0.00 0.00 177.43 175.45 1xax h LEU 56 N -0.35 0.00 -1.87 0.34 4.07 -1.38 -0.76 115.31 115.36 1xax h LEU 56 Ca 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 1xax h LEU 56 Cb 0.53 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 1xax h LEU 56 CO -0.55 0.11 -0.13 0.74 -1.08 0.00 0.00 178.44 177.53 1xax h THR 57 N 0.00 0.81 0.00 0.22 2.02 0.37 -2.44 112.91 113.88 1xax h THR 57 Ca -0.00 -0.50 -0.11 0.00 0.77 0.00 0.00 66.41 66.57 1xax h THR 57 Cb 0.68 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1xax h THR 57 CO 0.01 0.13 -1.41 0.00 0.37 0.00 0.00 175.52 174.62 1xax n TYR 58 N -3.97 0.00 -0.03 3.16 0.18 -0.69 -4.87 117.16 110.93 1xax n TYR 58 Ca -0.02 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.72 1xax n TYR 58 Cb 0.22 -0.28 -0.05 0.00 -0.38 0.00 0.00 39.34 38.85 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 1xax n ARG 59 N -2.59 2.01 -1.80 -3.48 -4.01 -0.31 -5.09 116.66 101.39 1xax n ARG 59 Ca -0.12 0.01 -0.01 0.00 -1.04 0.00 0.00 57.85 56.70 1xax n ARG 59 Cb 0.65 -1.16 0.00 0.00 -3.04 0.00 0.00 32.46 28.91 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 2.79 -0.59 3.14 2.89 0.00 -0.92 -4.95 105.19 107.55 1xax n GLY 60 Ca -0.12 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xax n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xax s LYS 61 N -2.48 0.73 0.30 1.61 0.00 -1.26 -4.94 119.74 113.69 1xax s LYS 61 Ca 0.02 -0.13 0.10 0.00 0.00 0.00 0.00 55.97 55.96 1xax s LYS 61 Cb -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 37.83 37.81 1xax s LYS 61 CO 0.15 -1.15 -0.08 0.16 0.00 0.00 0.00 175.35 174.43 1xax s ASP 62 N 2.05 4.01 0.10 0.03 -4.77 -1.26 -4.76 116.67 112.06 1xax s ASP 62 Ca 0.15 -0.94 -0.25 0.00 -3.30 0.00 0.00 52.55 48.21 1xax s ASP 62 Cb -0.07 -0.51 0.09 0.00 -1.09 0.00 0.00 42.92 41.34 1xax s ASP 62 CO -0.12 -0.07 1.13 -0.13 0.70 0.00 0.00 175.17 176.68 1xax s ARG 63 N -3.62 0.92 0.00 2.11 3.00 -1.26 -5.03 118.95 115.07 1xax s ARG 63 Ca 0.32 -0.57 -0.28 0.00 0.00 0.00 0.00 55.73 55.20 1xax s ARG 63 Cb -0.03 0.27 -0.34 0.00 0.00 0.00 0.00 34.95 34.84 1xax s ARG 63 CO 0.18 -0.43 1.50 -0.35 0.00 0.00 0.00 175.30 176.19 1xax n PRO 64 N -0.69 0.00 -3.67 3.54 -0.04 -1.26 -4.72 135.00 128.17 1xax n PRO 64 Ca -0.03 -0.92 -0.21 0.00 -0.04 0.00 0.00 63.50 62.31 1xax n PRO 64 Cb 0.60 -2.38 -0.18 0.00 -0.04 0.00 0.00 33.50 31.50 1xax n PRO 64 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xax s THR 65 N 6.66 -0.07 -1.31 0.52 2.01 -1.26 -4.99 115.64 117.19 1xax s THR 65 Ca 0.63 0.32 0.28 0.00 0.31 0.00 0.00 61.69 63.23 1xax s THR 65 Cb 0.14 -0.24 0.43 0.00 0.01 0.00 0.00 72.50 72.83 1xax s THR 65 CO 0.32 0.12 1.96 -0.46 -0.69 0.00 0.00 174.62 175.87 1xax n ASN 66 N 5.29 0.00 -3.53 3.53 6.94 -1.26 -4.46 115.26 121.77 1xax n ASN 66 Ca -0.04 0.04 -0.28 0.00 -0.02 0.00 0.00 54.58 54.28 1xax n ASN 66 Cb 0.50 -0.34 -0.14 0.00 -2.36 0.00 0.00 39.78 37.43 1xax n ASN 66 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xax s VAL 67 N -2.69 -0.07 0.25 3.53 1.01 -1.26 -3.33 120.40 117.84 1xax s VAL 67 Ca 0.23 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1xax s VAL 67 Cb 0.19 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 1xax s VAL 67 CO 0.46 -0.74 0.94 -0.76 0.00 0.00 0.00 175.10 175.00 1xax s LEU 68 N 2.04 4.61 -0.17 3.92 2.01 0.18 -4.80 118.68 126.46 1xax s LEU 68 Ca 0.10 1.94 -0.04 0.00 0.01 0.00 0.00 54.13 56.14 1xax s LEU 68 Cb -0.16 -3.66 -0.03 0.00 0.01 0.00 0.00 46.19 42.35 1xax s LEU 68 CO -0.34 0.13 -0.02 -0.55 1.01 0.00 0.00 176.35 176.58 1xax s SER 69 N -1.22 4.86 -0.61 2.29 0.15 -1.26 0.12 113.70 118.02 1xax s SER 69 Ca 0.42 -0.14 -0.16 0.00 0.70 0.00 0.00 55.95 56.77 1xax s SER 69 Cb -0.25 -1.81 0.15 0.00 -1.71 0.00 0.00 66.02 62.40 1xax s SER 69 CO 0.31 0.13 0.58 -0.36 1.20 0.00 0.00 173.24 175.10 1xax s PHE 70 N 0.60 3.35 0.47 3.44 0.08 0.98 -4.94 117.98 121.96 1xax s PHE 70 Ca -0.02 -1.43 -0.22 0.00 0.12 0.00 0.00 56.93 55.38 1xax s PHE 70 Cb -0.14 -3.82 -0.07 0.00 -0.57 0.00 0.00 43.02 38.41 1xax s PHE 70 CO 0.02 -1.04 1.14 -1.25 -0.10 0.00 0.00 175.22 174.00 1xax s PRO 71 N 1.35 3.74 0.68 0.24 0.04 -1.26 0.05 135.00 139.84 1xax s PRO 71 Ca 0.07 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 1xax s PRO 71 Cb -0.25 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1xax s PRO 71 CO 0.00 -0.55 0.87 1.97 0.04 0.00 0.00 177.00 179.33 1xax n PHE 72 N -0.59 0.40 -1.57 0.56 -1.74 -1.26 -4.76 117.46 108.50 1xax n PHE 72 Ca 0.08 0.40 -0.34 0.00 -0.56 0.00 0.00 57.45 57.03 1xax n PHE 72 Cb 0.49 -2.06 -0.07 0.00 1.52 0.00 0.00 39.48 39.36 1xax n PHE 72 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1xax n GLU 73 N -1.36 1.32 -4.01 3.97 0.28 -1.26 -4.77 120.64 114.81 1xax n GLU 73 Ca 0.13 -2.07 -0.13 0.00 -0.16 0.00 0.00 57.16 54.93 1xax n GLU 73 Cb 0.49 -3.36 -0.03 0.00 1.43 0.00 0.00 31.44 29.97 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 -0.54 -1.74 0.00 0.00 -0.04 -1.26 -5.07 135.00 126.35 1xax n PRO 75 Ca -0.02 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1xax n PRO 75 Cb 0.61 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.86 0.00 -4.55 3.54 8.00 -1.26 -4.77 116.55 113.65 1xax n ASP 76 Ca 0.09 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.33 1xax n ASP 76 Cb 0.32 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.36 1xax n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xax n GLU 77 N -0.92 0.69 -4.47 -1.24 4.71 -1.26 -4.87 120.64 113.28 1xax n GLU 77 Ca 0.00 -0.38 -0.24 0.00 -0.01 0.00 0.00 57.16 56.52 1xax n GLU 77 Cb 0.00 -3.28 -0.08 0.00 -1.01 0.00 0.00 31.44 27.07 1xax n GLU 77 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1xax s VAL 78 N 12.44 0.51 -0.32 2.62 -7.23 -1.26 -5.14 120.40 122.02 1xax s VAL 78 Ca 1.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 1xax s VAL 78 Cb -0.27 -2.38 0.15 0.00 0.56 0.00 0.00 36.38 34.44 1xax s VAL 78 CO 0.22 0.00 0.35 -1.61 -0.31 0.00 0.00 175.10 173.74 1xax s GLU 79 N -3.69 0.47 -0.24 4.82 8.01 -1.26 -4.83 118.70 121.98 1xax s GLU 79 Ca 0.27 -0.40 -0.34 0.00 0.01 0.00 0.00 54.97 54.51 1xax s GLU 79 Cb 0.03 -0.63 0.16 0.00 -4.31 0.00 0.00 34.13 29.37 1xax s GLU 79 CO 0.16 -1.10 1.27 -0.48 0.01 0.00 0.00 175.26 175.13 1xax s LEU 80 N 2.00 -0.10 -0.33 1.80 2.34 -1.26 -4.96 118.68 118.18 1xax s LEU 80 Ca 0.12 0.04 -0.28 0.00 0.06 0.00 0.00 54.13 54.08 1xax s LEU 80 Cb -0.14 1.26 -0.02 0.00 -0.56 0.00 0.00 46.19 46.72 1xax s LEU 80 CO -0.20 -0.14 1.88 -2.16 -1.06 0.00 0.00 176.35 174.67 1xax s PRO 81 N -1.83 3.25 -0.25 1.48 0.04 -1.26 -4.56 135.00 131.88 1xax s PRO 81 Ca 0.09 1.49 -0.33 0.00 0.04 0.00 0.00 61.00 62.29 1xax s PRO 81 Cb -0.01 -4.24 0.16 0.00 0.04 0.00 0.00 34.50 30.46 1xax s PRO 81 CO -0.05 -1.95 1.28 -0.48 0.04 0.00 0.00 177.00 175.84 1xax s LEU 82 N 7.29 -0.10 0.00 -3.56 -0.00 -1.26 -4.67 118.68 116.39 1xax s LEU 82 Ca 0.83 0.06 0.00 0.00 -0.00 0.00 0.00 54.13 55.02 1xax s LEU 82 Cb -0.24 1.25 0.00 0.00 -0.00 0.00 0.00 46.19 47.20 1xax s LEU 82 CO 0.33 -0.12 0.00 0.18 -0.00 0.00 0.00 176.35 176.74 1xax n LEU 83 N 0.27 1.40 0.00 1.48 4.32 -0.63 -4.86 117.00 118.98 1xax n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1xax n LEU 83 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1xax n LEU 83 CO 0.09 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 1xax n GLY 84 N 2.72 -1.16 3.96 -0.72 0.00 -1.17 -4.88 105.19 103.93 1xax n GLY 84 Ca 0.00 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.02 6.22 0.11 1.61 -1.08 0.11 0.55 116.67 122.17 1xax s ASP 85 Ca 0.00 0.24 0.02 0.00 -0.52 0.00 0.00 52.55 52.29 1xax s ASP 85 Cb 0.00 -1.84 -0.04 0.00 -1.46 0.00 0.00 42.92 39.58 1xax s ASP 85 CO 0.00 -0.28 -0.05 -0.22 0.52 0.00 0.00 175.17 175.14 1xax s LEU 86 N -4.22 2.43 -0.25 -1.34 2.96 0.34 -0.01 118.68 118.59 1xax s LEU 86 Ca 0.39 -1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 1xax s LEU 86 Cb -0.09 -0.07 0.09 0.00 0.50 0.00 0.00 46.19 46.62 1xax s LEU 86 CO 0.33 -0.49 0.14 -0.69 -1.32 0.00 0.00 176.35 174.33 1xax s VAL 87 N -3.63 -0.13 0.39 1.68 1.01 0.32 0.05 120.40 120.08 1xax s VAL 87 Ca 0.14 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1xax s VAL 87 Cb 0.05 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 1xax s VAL 87 CO -0.03 -0.54 0.55 0.27 0.00 0.00 0.00 175.10 175.35 1xax s ILE 88 N 2.16 3.76 -0.16 2.22 -0.00 0.27 -0.65 121.20 128.80 1xax s ILE 88 Ca 0.07 -0.88 -0.14 0.00 -0.00 0.00 0.00 60.65 59.70 1xax s ILE 88 Cb -0.16 -3.32 -0.05 0.00 -0.00 0.00 0.00 42.46 38.94 1xax s ILE 88 CO -0.27 -0.15 0.31 0.00 -0.00 0.00 0.00 174.94 174.83 1xax n ARG 90 N 3.68 0.82 -0.08 0.00 0.00 -1.03 -3.27 116.66 116.78 1xax n ARG 90 Ca -0.11 -0.30 -0.11 0.00 -0.00 0.00 0.00 57.85 57.33 1xax n ARG 90 Cb 0.52 -1.49 -0.09 0.00 0.00 0.00 0.00 32.46 31.39 1xax n ARG 90 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1xax n GLN 91 N -0.83 0.76 -0.05 -0.14 7.27 -1.26 -4.17 117.38 118.97 1xax n GLN 91 Ca 0.16 0.08 -0.01 0.00 0.07 0.00 0.00 57.00 57.29 1xax n GLN 91 Cb 0.27 -1.36 -0.00 0.00 2.41 0.00 0.00 30.24 31.56 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 -0.19 1.69 2.07 -1.97 -2.72 116.25 115.13 1xax h VAL 92 Ca -0.39 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1xax h VAL 92 Cb 1.67 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1xax h VAL 92 CO -0.04 0.00 -0.11 -0.37 0.02 0.00 0.00 177.57 177.07 1xax h VAL 93 N -0.88 1.18 -0.21 2.57 -1.51 -1.86 0.13 116.25 115.67 1xax h VAL 93 Ca 0.00 -0.79 -0.13 0.00 -1.23 0.00 0.00 66.70 64.55 1xax h VAL 93 Cb 0.11 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1xax h VAL 93 CO 0.00 0.25 -0.40 -0.08 -1.23 0.00 0.00 177.57 176.11 1xax h GLU 94 N 0.28 0.49 -0.18 5.19 4.81 -1.72 0.26 114.58 123.70 1xax h GLU 94 Ca 0.06 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 1xax h GLU 94 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1xax h GLU 94 CO 0.02 0.81 -0.31 0.00 -0.73 0.00 0.00 179.01 178.80 1xax h ARG 95 N 0.40 0.52 -0.38 1.92 3.08 -0.96 0.24 114.38 119.21 1xax h ARG 95 Ca 0.04 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 1xax h ARG 95 Cb 0.88 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1xax h ARG 95 CO 0.07 0.93 0.07 0.93 -1.07 0.00 0.00 179.97 180.91 1xax h GLU 96 N 0.17 0.62 0.00 0.04 3.07 -0.65 0.38 114.58 118.22 1xax h GLU 96 Ca 0.01 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.64 1xax h GLU 96 Cb 0.90 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1xax h GLU 96 CO 0.07 0.67 -0.33 0.00 -1.40 0.00 0.00 179.01 178.02 1xax h ALA 97 N 0.92 1.07 0.08 3.43 0.00 -0.49 0.36 119.26 124.64 1xax h ALA 97 Ca 0.12 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1xax h ALA 97 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xax h ALA 97 CO 0.00 0.41 -1.34 1.03 0.00 0.00 0.00 179.25 179.36 1xax h SER 98 N 0.00 0.28 0.50 0.00 0.87 -0.12 -3.35 113.55 111.72 1xax h SER 98 Ca -0.00 -0.34 -0.30 0.00 -1.23 0.00 0.00 61.79 59.92 1xax h SER 98 Cb 0.79 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1xax h SER 98 CO 0.04 1.28 -1.54 -0.33 -0.53 0.00 0.00 176.83 175.75 1xax h GLU 99 N 0.05 0.17 -0.64 2.24 5.08 -0.10 -3.32 114.58 118.06 1xax h GLU 99 Ca -0.16 -0.29 0.19 0.00 -1.00 0.00 0.00 59.36 58.09 1xax h GLU 99 Cb 1.95 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.28 1xax h GLU 99 CO 0.16 0.98 0.48 -0.56 -1.00 0.00 0.00 179.01 179.07 1xax h GLN 100 N 0.05 0.00 -4.74 2.33 3.07 -0.41 -3.46 115.11 111.95 1xax h GLN 100 Ca -0.24 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.26 1xax h GLN 100 Cb 1.99 0.00 0.13 0.00 0.08 0.00 0.00 27.48 29.68 1xax h GLN 100 CO 0.14 0.00 -0.58 0.39 0.09 0.00 0.00 178.83 178.86 1xax n GLU 101 N -4.28 -4.68 -3.99 0.06 1.02 -1.25 -5.04 120.64 102.48 1xax n GLU 101 Ca 0.12 0.64 -0.10 0.00 -0.02 0.00 0.00 57.16 57.81 1xax n GLU 101 Cb 0.73 -5.00 -0.07 0.00 -0.02 0.00 0.00 31.44 27.08 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 -4.94 1.15 0.13 3.49 1.02 -1.26 -5.13 119.74 114.21 1xax s LYS 102 Ca 0.03 -1.22 -0.32 0.00 0.02 0.00 0.00 55.97 54.48 1xax s LYS 102 Cb -0.00 0.36 -0.11 0.00 -0.52 0.00 0.00 37.83 37.56 1xax s LYS 102 CO 0.55 -0.41 1.79 -0.35 -0.92 0.00 0.00 175.35 176.00 1xax n PRO 103 N -0.21 2.66 0.11 -1.68 -0.04 -1.26 -4.86 135.00 129.72 1xax n PRO 103 Ca -0.07 0.96 0.10 0.00 -0.04 0.00 0.00 63.50 64.46 1xax n PRO 103 Cb 0.63 -2.83 0.46 0.00 -0.04 0.00 0.00 33.50 31.72 1xax n PRO 103 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xax n LEU 104 N 5.11 0.51 -0.19 1.53 4.77 -1.26 -3.45 117.00 124.02 1xax n LEU 104 Ca 0.18 0.66 -0.08 0.00 -0.03 0.00 0.00 56.01 56.74 1xax n LEU 104 Cb 0.35 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1xax n LEU 104 CO 0.66 -0.63 0.58 0.24 -1.33 0.00 0.00 177.39 176.91 1xax h MET 105 N 0.00 -0.23 -0.18 3.23 2.86 -1.99 0.35 114.93 118.97 1xax h MET 105 Ca 0.00 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1xax h MET 105 Cb 0.22 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1xax h MET 105 CO 0.00 -0.15 -0.39 0.00 1.06 0.00 0.00 176.91 177.43 1xax h ALA 106 N 0.65 1.01 -0.29 6.32 0.00 -1.97 -3.14 119.26 121.84 1xax h ALA 106 Ca 0.18 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1xax h ALA 106 Cb 0.56 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1xax h ALA 106 CO -0.66 0.61 -0.33 1.25 0.00 0.00 0.00 179.25 180.11 1xax h HIS 107 N 0.33 -0.93 0.27 0.00 6.17 -1.10 0.15 115.15 120.04 1xax h HIS 107 Ca 0.03 0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1xax h HIS 107 Cb 0.83 0.45 -0.01 0.00 2.52 0.00 0.00 27.41 31.20 1xax h HIS 107 CO 0.02 -0.40 -0.19 -1.49 0.71 0.00 0.00 177.93 176.59 1xax h TRP 108 N -0.32 -0.50 -0.94 5.26 4.06 -1.37 0.99 115.95 123.13 1xax h TRP 108 Ca 0.14 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.31 1xax h TRP 108 Cb 0.55 0.18 -0.12 0.00 -1.00 0.00 0.00 29.16 28.77 1xax h TRP 108 CO -0.49 -0.29 0.48 0.00 -3.56 0.00 0.00 178.44 174.57 1xax h ALA 109 N 0.24 1.57 0.07 1.49 0.00 -1.36 0.16 119.26 121.43 1xax h ALA 109 Ca -0.02 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1xax h ALA 109 Cb 0.40 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xax h ALA 109 CO 0.01 -0.30 -0.57 1.25 0.00 0.00 0.00 179.25 179.64 1xax h HIS 110 N 0.49 0.27 -0.96 0.00 -0.00 -0.27 -3.10 115.15 111.58 1xax h HIS 110 Ca 0.59 -0.20 0.16 0.00 -0.00 0.00 0.00 60.37 60.92 1xax h HIS 110 Cb 1.10 -0.01 -0.09 0.00 -0.00 0.00 0.00 27.41 28.42 1xax h HIS 110 CO -0.08 1.22 0.61 0.52 -0.00 0.00 0.00 177.93 180.20 1xax h MET 111 N -0.67 0.73 0.40 5.26 2.07 0.17 0.31 114.93 123.20 1xax h MET 111 Ca -0.11 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.45 1xax h MET 111 Cb 1.36 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.93 1xax h MET 111 CO 0.05 0.48 -0.19 0.28 1.07 0.00 0.00 176.91 178.60 1xax h VAL 112 N 0.75 0.44 -0.84 -2.22 2.07 -0.82 -1.33 116.25 114.29 1xax h VAL 112 Ca 0.51 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1xax h VAL 112 Cb 0.79 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1xax h VAL 112 CO -0.27 0.08 0.50 -0.37 0.02 0.00 0.00 177.57 177.53 1xax h VAL 113 N -0.95 0.94 0.68 2.57 -1.51 -1.36 0.23 116.25 116.86 1xax h VAL 113 Ca -0.06 -0.29 -0.03 0.00 -1.23 0.00 0.00 66.70 65.09 1xax h VAL 113 Cb 0.55 0.02 0.01 0.00 -2.13 0.00 0.00 31.29 29.74 1xax h VAL 113 CO 0.09 0.16 -0.33 -0.74 -1.23 0.00 0.00 177.57 175.52 1xax h HIS 114 N 0.85 -0.85 0.00 5.19 -0.00 -0.44 0.13 115.15 120.03 1xax h HIS 114 Ca 0.40 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.74 1xax h HIS 114 Cb 0.32 0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1xax h HIS 114 CO -0.05 -0.50 -0.04 0.78 -0.00 0.00 0.00 177.93 178.12 1xax h GLY 115 N -1.12 0.00 1.35 5.26 0.00 -1.04 -0.17 103.07 107.35 1xax h GLY 115 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 1xax h GLY 115 CO 0.15 0.00 -1.37 0.23 0.00 0.00 0.00 176.54 175.55 1xax h SER 116 N 0.00 0.00 0.75 0.19 0.87 -0.40 -3.31 113.55 111.65 1xax h SER 116 Ca -0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1xax h SER 116 Cb 0.17 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1xax h SER 116 CO 0.01 0.90 -1.31 0.25 -0.53 0.00 0.00 176.83 176.14 1xax h LEU 117 N 0.00 0.05 -0.82 2.23 6.46 -0.12 -1.64 115.31 121.47 1xax h LEU 117 Ca -0.17 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.45 1xax h LEU 117 Cb 1.83 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.73 1xax h LEU 117 CO 0.09 1.06 0.01 -0.74 -0.62 0.00 0.00 178.44 178.23 1xax h HIS 118 N 0.01 0.96 0.00 1.25 2.76 -1.19 0.63 115.15 119.57 1xax h HIS 118 Ca -0.13 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 1xax h HIS 118 Cb 1.89 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.59 1xax h HIS 118 CO 0.01 0.86 -1.82 1.28 -1.30 0.00 0.00 177.93 176.96 1xax n LEU 119 N -4.20 0.16 -0.05 0.26 4.32 -1.25 -4.68 117.00 111.57 1xax n LEU 119 Ca 0.03 -0.02 -0.09 0.00 -0.02 0.00 0.00 56.01 55.91 1xax n LEU 119 Cb 0.31 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.07 1xax n LEU 119 CO 0.42 0.01 -0.83 0.00 -1.22 0.00 0.00 177.39 175.78 1xax n LEU 120 N -2.22 1.66 -1.03 2.23 -0.00 -0.62 -5.02 117.00 112.01 1xax n LEU 120 Ca -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1xax n LEU 120 Cb 0.54 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1xax n LEU 120 CO 0.45 0.39 0.00 0.61 -0.00 0.00 0.00 177.39 178.85 1xax n GLY 121 N 2.66 0.06 0.29 1.47 0.00 0.22 -4.72 105.19 105.18 1xax n GLY 121 Ca -0.18 -0.37 0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.69 0.36 1.11 1.61 4.02 -1.26 0.22 117.16 122.53 1xax n TYR 122 Ca 0.00 0.37 0.08 0.00 -0.01 0.00 0.00 57.90 58.33 1xax n TYR 122 Cb 0.34 -0.74 0.46 0.00 -0.02 0.00 0.00 39.34 39.38 1xax n TYR 122 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1xax n ASP 123 N -3.76 0.00 -4.66 7.72 8.00 -1.26 -4.66 116.55 117.93 1xax n ASP 123 Ca 0.24 -0.63 -0.36 0.00 0.71 0.00 0.00 54.79 54.75 1xax n ASP 123 Cb 0.95 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 42.14 1xax n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xax n HIS 124 N -0.93 1.14 -2.18 1.24 1.44 0.58 -4.37 115.22 112.13 1xax n HIS 124 Ca 0.12 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.23 1xax n HIS 124 Cb 0.05 -2.14 0.00 0.00 0.12 0.00 0.00 29.99 28.02 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 -2.44 -0.40 1.78 0.61 -5.35 -1.26 -3.96 119.36 108.34 1xax n ILE 125 Ca 0.14 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.66 1xax n ILE 125 Cb 0.49 -1.71 0.17 0.00 -1.74 0.00 0.00 39.64 36.85 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 2.12 1.17 0.00 6.28 0.00 -1.26 -2.14 120.64 126.81 1xax n GLU 126 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 57.16 56.90 1xax n GLU 126 Cb 0.00 -1.13 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 -0.40 0.00 0.00 0.00 177.13 176.73 1xax n ASP 127 N -0.36 0.00 0.00 -1.84 5.68 -1.26 -4.76 116.55 114.01 1xax n ASP 127 Ca 0.06 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 1xax n ASP 127 Cb 0.08 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1xax n ASP 127 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1xax n ASP 128 N -2.19 0.00 -0.61 -1.12 8.00 -1.26 -4.63 116.55 114.74 1xax n ASP 128 Ca 0.00 0.00 0.48 0.00 0.71 0.00 0.00 54.79 55.98 1xax n ASP 128 Cb 0.00 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 41.85 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xax h GLU 129 N 0.00 0.00 0.00 -1.24 4.57 -1.80 -2.38 114.58 113.73 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 -2.79 -0.20 -0.26 2.92 0.00 -0.91 0.63 120.51 119.89 1xax n ALA 130 Ca 0.40 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.92 1xax n ALA 130 Cb 1.92 0.27 0.21 0.00 0.00 0.00 0.00 19.45 21.85 1xax n ALA 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xax h GLU 131 N 0.00 0.24 0.14 0.00 4.81 -1.69 0.35 114.58 118.42 1xax h GLU 131 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xax h GLU 131 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1xax h GLU 131 CO 0.00 0.16 -0.14 0.93 -0.73 0.00 0.00 179.01 179.22 1xax h GLU 132 N 0.24 -0.30 0.70 1.92 4.39 -1.50 0.35 114.58 120.38 1xax h GLU 132 Ca 0.45 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.14 1xax h GLU 132 Cb 0.81 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1xax h GLU 132 CO -0.56 -0.20 -0.33 0.52 -1.16 0.00 0.00 179.01 177.28 1xax h MET 133 N -0.31 -0.90 -0.24 2.33 2.86 0.17 0.40 114.93 119.23 1xax h MET 133 Ca 0.01 0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1xax h MET 133 Cb 0.30 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 1xax h MET 133 CO -0.04 -0.60 -0.33 1.49 1.06 0.00 0.00 176.91 178.49 1xax h GLU 134 N -1.05 -0.33 0.88 1.72 4.57 -0.40 1.00 114.58 120.98 1xax h GLU 134 Ca -0.10 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1xax h GLU 134 Cb 0.72 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1xax h GLU 134 CO 0.16 -0.22 -0.44 0.77 -1.18 0.00 0.00 179.01 178.10 1xax h SER 135 N -0.34 -1.05 -0.01 1.04 0.02 -0.33 0.18 113.55 113.05 1xax h SER 135 Ca 0.12 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1xax h SER 135 Cb 0.54 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1xax h SER 135 CO -0.43 -0.73 -0.13 0.17 -1.14 0.00 0.00 176.83 174.57 1xax h LEU 136 N -1.20 -0.38 -0.14 5.07 8.10 0.04 0.24 115.31 127.04 1xax h LEU 136 Ca -0.12 0.06 0.04 0.00 0.11 0.00 0.00 57.88 57.97 1xax h LEU 136 Cb 0.93 0.16 -0.05 0.00 -0.44 0.00 0.00 40.66 41.27 1xax h LEU 136 CO 0.19 -0.18 -0.14 -0.08 -4.11 0.00 0.00 178.44 174.11 1xax h GLU 137 N -0.22 -0.16 -0.06 0.17 4.81 0.11 0.41 114.58 119.64 1xax h GLU 137 Ca 0.05 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1xax h GLU 137 Cb 0.28 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xax h GLU 137 CO -0.14 -0.11 0.05 1.15 -0.73 0.00 0.00 179.01 179.23 1xax h THR 138 N -0.17 0.83 0.15 0.32 2.02 -0.30 0.22 112.91 115.97 1xax h THR 138 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1xax h THR 138 Cb 0.31 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1xax h THR 138 CO -0.24 0.00 -0.07 -0.61 0.37 0.00 0.00 175.52 174.97 1xax h GLN 139 N 0.00 -0.19 -0.24 6.66 4.15 0.19 0.44 115.11 126.13 1xax h GLN 139 Ca 0.03 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1xax h GLN 139 Cb 0.12 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1xax h GLN 139 CO -0.00 -0.01 0.12 0.82 -1.93 0.00 0.00 178.83 177.83 1xax h ILE 140 N -1.03 1.08 0.00 2.39 2.04 -0.15 0.85 117.51 122.69 1xax h ILE 140 Ca -0.02 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1xax h ILE 140 Cb 0.27 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1xax h ILE 140 CO 0.03 0.09 -0.25 0.24 0.00 0.00 0.00 178.15 178.26 1xax h MET 141 N 0.32 0.00 0.17 2.37 2.86 -0.67 -3.40 114.93 116.59 1xax h MET 141 Ca 0.08 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.37 1xax h MET 141 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1xax h MET 141 CO -0.01 0.00 -1.79 1.96 1.06 0.00 0.00 176.91 178.13 1xax h GLN 142 N -0.84 0.37 -1.16 1.72 4.20 -0.34 -3.20 115.11 115.86 1xax h GLN 142 Ca 0.00 -0.63 0.34 0.00 0.06 0.00 0.00 58.65 58.42 1xax h GLN 142 Cb 0.25 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 1xax h GLN 142 CO 0.00 1.29 0.96 0.78 -0.67 0.00 0.00 178.83 181.19 1xax h GLY 143 N 0.81 0.00 0.16 3.46 0.00 0.36 0.18 103.07 108.04 1xax h GLY 143 Ca -0.35 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.61 1xax h GLY 143 CO 0.16 0.00 -2.30 1.04 0.00 0.00 0.00 176.54 175.45 1xax n LEU 144 N -3.85 0.80 -2.13 3.11 4.32 -1.10 -5.00 117.00 113.15 1xax n LEU 144 Ca 0.25 0.04 -0.05 0.00 -0.02 0.00 0.00 56.01 56.23 1xax n LEU 144 Cb 1.33 0.12 0.02 0.00 -1.62 0.00 0.00 43.42 43.28 1xax n LEU 144 CO 0.35 0.58 0.02 0.61 -1.22 0.00 0.00 177.39 177.74 1xax n GLY 145 N 1.83 0.10 0.00 -0.72 0.00 0.63 -5.14 105.19 101.90 1xax n GLY 145 Ca -0.33 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01