#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 3.90 -1.25 2.46 0.11 -1.26 -0.13 120.40 124.23 1xax s VAL 4 Ca 0.00 0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 59.33 1xax s VAL 4 Cb 0.00 -4.83 0.12 0.00 -1.53 0.00 0.00 36.38 30.15 1xax s VAL 4 CO 0.00 -1.65 1.58 -0.22 -3.33 0.00 0.00 175.10 171.48 1xax s LEU 5 N 5.26 4.46 0.07 2.54 0.20 0.29 -4.87 118.68 126.62 1xax s LEU 5 Ca 0.35 -2.71 0.00 0.00 0.69 0.00 0.00 54.13 52.46 1xax s LEU 5 Cb -0.09 -2.49 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 1xax s LEU 5 CO 0.17 -0.96 0.21 0.54 -0.29 0.00 0.00 176.35 176.02 1xax s VAL 6 N 2.88 5.33 -0.03 1.68 0.11 -1.25 0.16 120.40 129.28 1xax s VAL 6 Ca 0.48 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1xax s VAL 6 Cb 0.00 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.26 1xax s VAL 6 CO 0.04 0.11 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.27 1xax s ASP 7 N -2.58 0.68 -0.64 3.54 2.15 0.82 -4.88 116.67 115.77 1xax s ASP 7 Ca 0.35 -0.08 -0.10 0.00 0.43 0.00 0.00 52.55 53.14 1xax s ASP 7 Cb -0.13 -0.32 0.17 0.00 -0.30 0.00 0.00 42.92 42.34 1xax s ASP 7 CO 0.28 -0.06 0.54 -0.76 -0.17 0.00 0.00 175.17 175.00 1xax s LEU 8 N 0.81 6.04 -0.14 -1.34 1.02 -1.26 -0.18 118.68 123.62 1xax s LEU 8 Ca -0.10 -2.39 -0.25 0.00 0.02 0.00 0.00 54.13 51.42 1xax s LEU 8 Cb -0.13 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 1xax s LEU 8 CO -0.00 -0.60 0.81 -1.58 0.02 0.00 0.00 176.35 175.00 1xax s GLN 9 N 0.65 4.33 0.09 1.70 0.74 0.11 -4.79 119.66 122.49 1xax s GLN 9 Ca 0.12 1.01 0.05 0.00 0.05 0.00 0.00 55.36 56.59 1xax s GLN 9 Cb -0.20 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 1xax s GLN 9 CO -0.04 -0.25 -0.01 -1.50 -0.55 0.00 0.00 175.29 172.95 1xax s ILE 10 N 1.86 3.96 -0.10 -2.34 1.10 -1.26 -0.51 121.20 123.90 1xax s ILE 10 Ca 0.39 -1.02 -0.03 0.00 -0.51 0.00 0.00 60.65 59.48 1xax s ILE 10 Cb -0.17 -2.89 -0.26 0.00 0.15 0.00 0.00 42.46 39.29 1xax s ILE 10 CO 0.14 0.11 0.42 0.00 -2.11 0.00 0.00 174.94 173.51 1xax n ALA 11 N 0.55 1.01 -2.00 1.50 0.00 -0.92 -4.91 120.51 115.73 1xax n ALA 11 Ca -0.11 -0.63 -0.20 0.00 0.00 0.00 0.00 53.44 52.50 1xax n ALA 11 Cb 0.52 -0.71 0.06 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.57 2.48 -0.25 0.00 -4.23 -1.26 -5.06 115.64 104.75 1xax s THR 12 Ca -0.19 -0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 59.37 1xax s THR 12 Cb 0.07 -2.68 -0.15 0.00 1.34 0.00 0.00 72.50 71.08 1xax s THR 12 CO 0.78 0.00 -0.15 1.21 -0.54 0.00 0.00 174.62 175.92 1xax n GLU 13 N -2.34 0.59 -3.97 3.99 2.13 -1.26 -4.88 120.64 114.90 1xax n GLU 13 Ca 0.12 0.35 -0.34 0.00 0.66 0.00 0.00 57.16 57.95 1xax n GLU 13 Cb 0.60 -1.58 -0.14 0.00 0.27 0.00 0.00 31.44 30.59 1xax n GLU 13 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xax s ASN 14 N -7.23 4.21 0.23 4.31 2.20 -1.26 -5.11 114.94 112.30 1xax s ASN 14 Ca -0.35 -0.82 0.04 0.00 -0.94 0.00 0.00 52.86 50.80 1xax s ASN 14 Cb 0.11 -1.65 -0.05 0.00 -2.00 0.00 0.00 41.25 37.66 1xax s ASN 14 CO 0.54 -0.11 -0.03 0.27 -2.94 0.00 0.00 177.10 174.83 1xax s ILE 15 N 1.33 1.19 -0.22 0.54 -0.00 -1.26 -5.07 121.20 117.71 1xax s ILE 15 Ca 0.01 -2.06 0.05 0.00 -0.00 0.00 0.00 60.65 58.65 1xax s ILE 15 Cb -0.16 -2.30 -0.17 0.00 -0.00 0.00 0.00 42.46 39.83 1xax s ILE 15 CO -0.05 -0.38 -0.15 -0.62 -0.00 0.00 0.00 174.94 173.74 1xax n GLU 16 N -0.43 0.67 -1.46 0.37 1.02 -1.26 -4.52 120.64 115.04 1xax n GLU 16 Ca -0.06 0.11 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 1xax n GLU 16 Cb 0.63 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.66 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 2.28 5.87 3.35 0.62 0.00 -1.26 -4.86 105.19 111.19 1xax n GLY 17 Ca -0.39 -2.27 0.02 0.00 0.00 0.00 0.00 46.02 43.38 1xax n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xax s LEU 18 N -3.72 -1.12 0.00 0.99 1.98 -1.26 -5.04 118.68 110.51 1xax s LEU 18 Ca 0.61 1.05 0.00 0.00 -2.89 0.00 0.00 54.13 52.90 1xax s LEU 18 Cb 0.48 2.08 0.00 0.00 0.66 0.00 0.00 46.19 49.41 1xax s LEU 18 CO 0.01 -0.21 0.00 -0.81 -1.89 0.00 0.00 176.35 173.45 1xax n PRO 19 N 5.39 3.12 -2.74 0.98 -0.04 -1.26 -4.56 135.00 135.89 1xax n PRO 19 Ca -0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.04 1xax n PRO 19 Cb 0.51 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 1xax n PRO 19 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xax s THR 20 N 1.79 4.16 0.22 0.52 -4.23 -1.26 -4.96 115.64 111.88 1xax s THR 20 Ca 0.00 1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 62.06 1xax s THR 20 Cb 0.00 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.18 1xax s THR 20 CO 0.00 -0.02 1.77 1.05 -0.54 0.00 0.00 174.62 176.89 1xax h GLU 21 N 2.67 0.56 -0.67 3.99 9.09 -1.99 -2.40 114.58 125.82 1xax h GLU 21 Ca -0.48 -0.03 0.13 0.00 0.05 0.00 0.00 59.36 59.02 1xax h GLU 21 Cb 1.19 -0.13 -0.13 0.00 -1.65 0.00 0.00 28.75 28.04 1xax h GLU 21 CO 0.63 0.37 -0.27 0.93 0.05 0.00 0.00 179.01 180.72 1xax h GLU 22 N 0.57 -0.08 0.18 1.06 5.08 -1.96 1.37 114.58 120.80 1xax h GLU 22 Ca 0.34 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1xax h GLU 22 Cb 0.37 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xax h GLU 22 CO -0.27 -0.05 -0.10 0.37 -1.00 0.00 0.00 179.01 177.96 1xax h GLN 23 N -0.08 -0.24 0.24 2.33 -0.00 -1.83 0.16 115.11 115.68 1xax h GLN 23 Ca 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 1xax h GLN 23 Cb 0.55 0.06 -0.03 0.00 0.00 0.00 0.00 27.48 28.05 1xax h GLN 23 CO -0.73 -0.16 -0.43 0.82 0.00 0.00 0.00 178.83 178.33 1xax h ILE 24 N -0.25 0.00 -0.43 2.39 2.04 -1.29 0.23 117.51 120.20 1xax h ILE 24 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1xax h ILE 24 Cb 0.20 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.20 1xax h ILE 24 CO 0.03 0.00 -0.55 0.58 0.00 0.00 0.00 178.15 178.22 1xax h VAL 25 N -0.72 0.00 0.48 1.67 2.07 0.17 0.24 116.25 120.16 1xax h VAL 25 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1xax h VAL 25 Cb 0.67 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1xax h VAL 25 CO -0.15 0.00 -0.45 -0.61 0.02 0.00 0.00 177.57 176.38 1xax h GLN 26 N -0.37 -0.90 -0.12 1.57 4.15 -0.55 1.49 115.11 120.38 1xax h GLN 26 Ca 0.08 0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.58 1xax h GLN 26 Cb 0.57 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.41 1xax h GLN 26 CO -0.60 -0.60 -0.47 2.35 -1.93 0.00 0.00 178.83 177.58 1xax h TRP 27 N -0.93 -1.40 0.00 3.99 2.91 -0.14 0.17 115.95 120.56 1xax h TRP 27 Ca -0.05 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1xax h TRP 27 Cb 0.81 0.63 0.00 0.00 -0.51 0.00 0.00 29.16 30.08 1xax h TRP 27 CO -0.22 -0.47 0.00 0.00 -1.03 0.00 0.00 178.44 176.72 1xax n ALA 28 N -2.95 0.00 0.28 2.65 0.00 0.80 -3.02 120.51 118.27 1xax n ALA 28 Ca -0.05 -0.01 0.18 0.00 0.00 0.00 0.00 53.44 53.56 1xax n ALA 28 Cb 0.32 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.67 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 0.16 0.19 0.00 2.02 -0.34 -0.78 112.91 114.16 1xax h THR 29 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1xax h THR 29 Cb 0.00 0.78 0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1xax h THR 29 CO 0.00 0.00 -1.36 1.23 0.37 0.00 0.00 175.52 175.76 1xax h GLY 30 N 0.00 0.54 2.00 2.16 0.00 0.48 -2.97 103.07 105.28 1xax h GLY 30 Ca 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 47.33 46.06 1xax h GLY 30 CO -0.00 1.15 0.00 0.00 0.00 0.00 0.00 176.54 177.69 1xax n ALA 31 N -2.65 1.94 -0.06 3.60 0.00 -0.33 -2.60 120.51 120.40 1xax n ALA 31 Ca -0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1xax n ALA 31 Cb 1.05 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 1xax n ALA 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1xax n VAL 32 N -1.54 1.55 -2.18 0.00 3.14 -1.00 -4.52 118.33 113.78 1xax n VAL 32 Ca 0.05 -0.75 -0.26 0.00 -2.96 0.00 0.00 64.34 60.42 1xax n VAL 32 Cb 0.24 -1.03 0.01 0.00 -1.06 0.00 0.00 33.84 32.01 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 -3.06 3.52 0.13 1.45 -0.06 -1.13 -4.74 117.38 113.50 1xax n GLN 33 Ca -0.30 -4.27 -0.13 0.00 -2.00 0.00 0.00 57.00 50.30 1xax n GLN 33 Cb 1.08 -2.27 -0.08 0.00 -4.06 0.00 0.00 30.24 24.91 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 2.34 -0.36 -0.06 3.69 0.13 -1.73 -3.35 132.00 132.66 1xax h PRO 34 Ca 0.35 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.49 1xax h PRO 34 Cb 1.27 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1xax h PRO 34 CO 0.82 -0.02 -0.12 0.39 -0.23 0.00 0.00 178.00 178.84 1xax n GLU 35 N -5.08 1.62 -1.08 0.86 1.02 -1.26 -4.96 120.64 111.76 1xax n GLU 35 Ca -0.09 -2.83 -0.01 0.00 -0.02 0.00 0.00 57.16 54.21 1xax n GLU 35 Cb 0.26 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.22 1.87 3.37 0.62 0.00 -1.26 -5.08 105.19 103.49 1xax n GLY 36 Ca 0.19 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.97 -0.67 -4.91 1.61 4.13 -1.26 -3.73 115.26 107.46 1xax n ASN 37 Ca 0.01 -1.31 -0.28 0.00 1.68 0.00 0.00 54.58 54.68 1xax n ASN 37 Cb 0.03 -0.91 -0.03 0.00 -1.54 0.00 0.00 39.78 37.33 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 -5.49 3.61 0.35 3.52 1.03 -1.26 -1.24 118.70 119.23 1xax s GLU 38 Ca 0.67 0.00 -0.14 0.00 0.03 0.00 0.00 54.97 55.53 1xax s GLU 38 Cb -0.03 -2.61 0.05 0.00 -0.80 0.00 0.00 34.13 30.74 1xax s GLU 38 CO 0.48 0.15 0.73 1.33 -1.33 0.00 0.00 175.26 176.62 1xax n VAL 39 N -1.21 0.00 -3.91 1.83 0.24 0.82 -4.72 118.33 111.38 1xax n VAL 39 Ca -0.02 -0.88 -0.18 0.00 -2.04 0.00 0.00 64.34 61.22 1xax n VAL 39 Cb 0.54 0.89 -0.17 0.00 -1.47 0.00 0.00 33.84 33.64 1xax n VAL 39 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1xax s GLU 40 N -2.08 0.36 0.06 7.34 -1.05 -1.26 0.11 118.70 122.17 1xax s GLU 40 Ca 0.15 0.09 -0.00 0.00 -0.15 0.00 0.00 54.97 55.05 1xax s GLU 40 Cb -0.04 -0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 33.03 1xax s GLU 40 CO 0.11 -0.17 -0.04 1.41 0.95 0.00 0.00 175.26 177.52 1xax s MET 41 N 1.23 0.61 -0.10 -4.83 1.75 0.12 -0.26 119.30 117.82 1xax s MET 41 Ca -0.07 -1.13 -0.30 0.00 -1.25 0.00 0.00 55.69 52.94 1xax s MET 41 Cb -0.13 0.08 0.07 0.00 2.84 0.00 0.00 34.83 37.69 1xax s MET 41 CO -0.02 -0.07 0.70 0.99 -0.65 0.00 0.00 175.02 175.96 1xax s THR 42 N -3.38 0.00 0.05 10.11 2.01 0.69 -0.13 115.64 125.00 1xax s THR 42 Ca 0.04 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1xax s THR 42 Cb 0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1xax s THR 42 CO -0.07 0.00 0.02 0.54 -0.69 0.00 0.00 174.62 174.42 1xax s VAL 43 N -0.83 0.19 -0.25 3.82 0.11 0.74 0.14 120.40 124.32 1xax s VAL 43 Ca -0.08 -1.54 -0.03 0.00 -2.93 0.00 0.00 61.98 57.39 1xax s VAL 43 Cb -0.01 -1.30 0.08 0.00 -1.53 0.00 0.00 36.38 33.62 1xax s VAL 43 CO 0.08 -0.85 0.10 -0.60 -3.33 0.00 0.00 175.10 170.49 1xax s ARG 44 N -3.53 0.37 -0.68 1.54 3.52 0.59 0.05 118.95 120.81 1xax s ARG 44 Ca 0.03 -0.54 -0.25 0.00 -0.13 0.00 0.00 55.73 54.84 1xax s ARG 44 Cb 0.05 -1.67 0.05 0.00 -1.56 0.00 0.00 34.95 31.82 1xax s ARG 44 CO -0.09 -0.87 1.11 0.42 -0.81 0.00 0.00 175.30 175.07 1xax s ILE 45 N 1.95 4.05 -0.14 4.11 -1.09 0.33 0.70 121.20 131.12 1xax s ILE 45 Ca 0.06 0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.33 1xax s ILE 45 Cb -0.16 -4.78 0.06 0.00 -1.58 0.00 0.00 42.46 36.00 1xax s ILE 45 CO -0.23 -1.60 0.65 0.54 -1.23 0.00 0.00 174.94 173.07 1xax s VAL 46 N 4.84 0.00 1.01 2.92 0.11 0.17 -2.16 120.40 127.30 1xax s VAL 46 Ca 0.30 -0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.13 1xax s VAL 46 Cb -0.12 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1xax s VAL 46 CO 0.14 -0.02 -0.28 0.47 -3.33 0.00 0.00 175.10 172.08 1xax n ASP 47 N 1.73 -2.69 0.19 3.54 8.00 -1.26 -3.50 116.55 122.57 1xax n ASP 47 Ca -0.17 -0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.04 1xax n ASP 47 Cb 0.56 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.01 -0.52 -0.23 -1.24 5.08 -1.95 -1.63 114.58 112.08 1xax h GLU 48 Ca -0.37 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1xax h GLU 48 Cb 1.09 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 1xax h GLU 48 CO 0.24 -0.23 -0.46 0.00 -1.00 0.00 0.00 179.01 177.56 1xax h ALA 49 N -0.76 -0.63 -0.19 3.43 0.00 -1.98 0.92 119.26 120.04 1xax h ALA 49 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xax h ALA 49 Cb 0.53 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1xax h ALA 49 CO 0.09 -0.96 -0.02 0.93 0.00 0.00 0.00 179.25 179.29 1xax h GLU 50 N -0.46 0.03 0.79 0.00 4.39 -1.93 0.32 114.58 117.72 1xax h GLU 50 Ca 0.08 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1xax h GLU 50 Cb 0.63 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1xax h GLU 50 CO -0.47 0.02 -0.44 1.03 -1.16 0.00 0.00 179.01 177.99 1xax h SER 51 N 0.03 -1.07 -1.00 1.42 0.87 -0.57 0.90 113.55 114.12 1xax h SER 51 Ca 0.09 0.05 0.21 0.00 -1.23 0.00 0.00 61.79 60.91 1xax h SER 51 Cb 0.13 0.30 -0.11 0.00 -0.44 0.00 0.00 62.40 62.27 1xax h SER 51 CO -0.18 -0.70 0.60 0.45 -0.53 0.00 0.00 176.83 176.47 1xax h HIS 52 N -1.14 1.04 -0.44 2.24 3.86 0.94 0.51 115.15 122.17 1xax h HIS 52 Ca -0.11 0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 58.99 1xax h HIS 52 Cb 0.89 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1xax h HIS 52 CO -0.03 0.16 -0.30 1.49 0.86 0.00 0.00 177.93 180.11 1xax h GLU 53 N 0.68 0.97 -0.67 2.45 4.22 -0.00 -1.02 114.58 121.22 1xax h GLU 53 Ca 0.61 -0.46 -0.01 0.00 0.08 0.00 0.00 59.36 59.58 1xax h GLU 53 Cb 1.03 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1xax h GLU 53 CO -0.42 1.13 0.40 1.25 -2.18 0.00 0.00 179.01 179.18 1xax h LEU 54 N 0.82 0.81 0.07 1.64 7.12 0.55 0.38 115.31 126.70 1xax h LEU 54 Ca 0.09 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1xax h LEU 54 Cb 0.89 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1xax h LEU 54 CO 0.08 0.64 -0.03 0.78 -0.13 0.00 0.00 178.44 179.78 1xax h ASN 55 N 0.91 -0.08 0.86 1.25 2.35 -0.56 -2.92 115.58 117.39 1xax h ASN 55 Ca 0.24 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1xax h ASN 55 Cb -0.02 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1xax h ASN 55 CO -0.04 0.50 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.08 1xax h LEU 56 N -0.70 0.00 0.00 1.61 4.07 -1.15 0.36 115.31 119.50 1xax h LEU 56 Ca -0.01 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 1xax h LEU 56 Cb 0.57 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 1xax h LEU 56 CO 0.02 0.08 -0.99 0.00 -1.08 0.00 0.00 178.44 176.47 1xax h THR 57 N 0.00 1.06 -0.01 0.22 1.03 -0.28 -3.16 112.91 111.78 1xax h THR 57 Ca -0.00 -2.62 0.00 0.00 -0.01 0.00 0.00 66.41 63.78 1xax h THR 57 Cb 0.53 2.48 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 1xax h THR 57 CO 0.01 0.60 -0.10 0.00 -0.01 0.00 0.00 175.52 176.03 1xax n TYR 58 N -3.18 0.00 0.00 0.00 4.11 -1.10 -4.87 117.16 112.11 1xax n TYR 58 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 1xax n TYR 58 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.20 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 -0.17 0.00 -1.52 -3.48 0.00 0.91 -5.06 116.66 107.34 1xax n ARG 59 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1xax n ARG 59 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.47 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 -0.38 0.88 0.00 5.14 0.00 0.69 -4.93 105.19 106.59 1xax n GLY 60 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1xax n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xax n LYS 61 N -0.38 -0.16 0.00 1.61 5.02 -1.22 -4.86 118.16 118.18 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xax n LYS 61 Cb 0.32 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 -0.52 0.00 0.00 177.40 173.41 1xax n ASP 62 N -1.65 0.00 -3.38 4.39 -0.08 -1.26 -4.75 116.55 109.83 1xax n ASP 62 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 1xax n ASP 62 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xax n ARG 63 N 0.00 0.97 -1.44 -0.67 1.74 -1.26 -4.84 116.66 111.15 1xax n ARG 63 Ca 0.00 -2.30 -0.19 0.00 -0.77 0.00 0.00 57.85 54.59 1xax n ARG 63 Cb 0.00 0.92 -0.19 0.00 -1.02 0.00 0.00 32.46 32.17 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xax n PRO 64 N -0.70 0.04 -0.47 5.56 -0.02 -1.26 -4.85 135.00 133.30 1xax n PRO 64 Ca -0.09 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1xax n PRO 64 Cb 0.40 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 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 -0.04 3.45 5.66 -1.26 -5.07 114.28 122.68 1xax n THR 65 Ca 0.58 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.53 1xax n THR 65 Cb 0.21 -1.15 -0.06 0.00 -1.55 0.00 0.00 70.33 67.78 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 -1.65 3.03 -3.00 1.09 6.94 -1.26 -4.91 115.26 115.50 1xax n ASN 66 Ca 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 54.58 54.48 1xax n ASN 66 Cb 0.00 0.58 -0.02 0.00 -2.36 0.00 0.00 39.78 37.98 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 -0.75 0.31 3.53 -7.23 -1.26 -4.44 120.40 108.35 1xax s VAL 67 Ca -0.05 -1.02 -0.25 0.00 -1.81 0.00 0.00 61.98 58.84 1xax s VAL 67 Cb 0.03 -0.23 -0.10 0.00 0.56 0.00 0.00 36.38 36.64 1xax s VAL 67 CO 0.32 -0.23 0.92 -0.22 -0.31 0.00 0.00 175.10 175.58 1xax s LEU 68 N 1.01 4.35 0.24 1.32 2.96 -1.15 -4.85 118.68 122.56 1xax s LEU 68 Ca 0.26 1.79 0.05 0.00 -0.22 0.00 0.00 54.13 56.01 1xax s LEU 68 Cb -0.02 -3.95 -0.05 0.00 0.50 0.00 0.00 46.19 42.67 1xax s LEU 68 CO -0.07 -0.05 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.31 1xax s SER 69 N -1.60 2.25 -0.63 3.68 0.15 -1.26 0.03 113.70 116.32 1xax s SER 69 Ca 0.49 -1.16 0.05 0.00 0.70 0.00 0.00 55.95 56.02 1xax s SER 69 Cb -0.19 -0.07 0.15 0.00 -1.71 0.00 0.00 66.02 64.20 1xax s SER 69 CO 0.24 -0.39 0.40 -0.36 1.20 0.00 0.00 173.24 174.32 1xax s PHE 70 N -3.21 3.41 0.34 3.44 0.08 0.43 -4.81 117.98 117.65 1xax s PHE 70 Ca 0.27 -3.27 -0.26 0.00 0.12 0.00 0.00 56.93 53.78 1xax s PHE 70 Cb 0.04 -2.75 -0.09 0.00 -0.57 0.00 0.00 43.02 39.64 1xax s PHE 70 CO 0.09 -0.63 1.01 -2.14 -0.10 0.00 0.00 175.22 173.45 1xax s PRO 71 N -0.97 4.44 1.32 0.24 0.02 -1.25 -0.18 135.00 138.63 1xax s PRO 71 Ca 0.22 1.49 -0.21 0.00 0.02 0.00 0.00 61.00 62.51 1xax s PRO 71 Cb -0.14 -2.79 0.33 0.00 0.02 0.00 0.00 34.50 31.93 1xax s PRO 71 CO -0.10 0.12 1.01 -0.59 -0.33 0.00 0.00 177.00 177.11 1xax s PHE 72 N -1.53 -0.09 -0.93 6.54 -0.71 -1.26 -4.77 117.98 115.23 1xax s PHE 72 Ca 0.52 0.58 -0.25 0.00 -1.04 0.00 0.00 56.93 56.74 1xax s PHE 72 Cb -0.23 -3.13 -0.17 0.00 -1.21 0.00 0.00 43.02 38.28 1xax s PHE 72 CO 0.28 -4.50 1.93 -0.85 -1.34 0.00 0.00 175.22 170.74 1xax n GLU 73 N -5.26 1.05 -1.52 1.99 0.28 -1.26 -4.87 120.64 111.04 1xax n GLU 73 Ca 0.12 -1.99 -0.42 0.00 -0.16 0.00 0.00 57.16 54.72 1xax n GLU 73 Cb 0.59 -3.45 -0.06 0.00 1.43 0.00 0.00 31.44 29.95 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 8.68 1.43 0.00 0.00 -0.02 -1.26 -5.07 135.00 138.77 1xax n PRO 75 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1xax n PRO 75 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 1xax n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xax n ASP 76 N 0.00 0.00 -4.00 2.55 2.03 -1.26 -4.89 116.55 110.98 1xax n ASP 76 Ca 0.00 0.11 -0.31 0.00 0.52 0.00 0.00 54.79 55.11 1xax n ASP 76 Cb 0.00 -0.26 -0.15 0.00 -0.72 0.00 0.00 41.12 39.99 1xax n ASP 76 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1xax s GLU 77 N -0.53 1.64 0.44 -0.67 8.01 -1.26 -4.98 118.70 121.36 1xax s GLU 77 Ca 0.00 -2.12 0.04 0.00 0.01 0.00 0.00 54.97 52.90 1xax s GLU 77 Cb 0.00 -3.25 -0.01 0.00 -4.31 0.00 0.00 34.13 26.56 1xax s GLU 77 CO 0.00 -0.99 0.14 0.14 0.01 0.00 0.00 175.26 174.55 1xax s VAL 78 N 0.52 0.53 -0.46 2.63 -7.23 -1.26 -5.13 120.40 110.01 1xax s VAL 78 Ca 0.13 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 1xax s VAL 78 Cb -0.21 -2.23 0.20 0.00 0.56 0.00 0.00 36.38 34.69 1xax s VAL 78 CO -0.05 0.00 0.83 -1.61 -0.31 0.00 0.00 175.10 173.96 1xax s GLU 79 N -3.67 0.81 -0.04 4.82 2.02 -1.26 -4.86 118.70 116.52 1xax s GLU 79 Ca 0.19 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.37 1xax s GLU 79 Cb 0.01 -0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.22 1xax s GLU 79 CO 0.14 -1.01 0.11 -0.48 0.02 0.00 0.00 175.26 174.04 1xax s LEU 80 N 0.97 1.55 0.14 1.80 2.34 -1.26 -4.95 118.68 119.27 1xax s LEU 80 Ca 0.27 0.23 -0.32 0.00 0.06 0.00 0.00 54.13 54.36 1xax s LEU 80 Cb 0.03 0.38 -0.12 0.00 -0.56 0.00 0.00 46.19 45.92 1xax s LEU 80 CO -0.07 -0.04 1.75 -2.65 -1.06 0.00 0.00 176.35 174.28 1xax n PRO 81 N 3.06 2.60 -3.62 1.48 -0.02 -1.26 -4.77 135.00 132.48 1xax n PRO 81 Ca -0.13 0.94 -0.03 0.00 -2.02 0.00 0.00 63.50 62.26 1xax n PRO 81 Cb 0.59 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1xax n PRO 81 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1xax s LEU 82 N 1.99 -0.08 0.00 2.45 -0.00 -1.26 -4.53 118.68 117.25 1xax s LEU 82 Ca 0.80 0.03 0.00 0.00 -0.00 0.00 0.00 54.13 54.96 1xax s LEU 82 Cb -0.55 1.22 0.00 0.00 -0.00 0.00 0.00 46.19 46.87 1xax s LEU 82 CO 0.37 -0.12 0.00 0.18 -0.00 0.00 0.00 176.35 176.78 1xax n LEU 83 N 0.14 1.12 0.00 1.48 4.77 0.64 -4.82 117.00 120.32 1xax n LEU 83 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1xax n LEU 83 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1xax n LEU 83 CO 0.09 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1xax n GLY 84 N 2.71 -0.87 3.61 -0.72 0.00 -0.91 -4.87 105.19 104.14 1xax n GLY 84 Ca 0.00 -2.20 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.20 4.50 0.07 1.61 1.11 0.75 -0.22 116.67 121.29 1xax s ASP 85 Ca 0.00 -0.48 0.03 0.00 0.18 0.00 0.00 52.55 52.28 1xax s ASP 85 Cb 0.00 -0.86 -0.03 0.00 1.07 0.00 0.00 42.92 43.10 1xax s ASP 85 CO 0.00 0.10 -0.09 -0.22 1.18 0.00 0.00 175.17 176.14 1xax s LEU 86 N -2.83 2.36 -0.45 1.23 2.96 0.37 0.16 118.68 122.49 1xax s LEU 86 Ca 0.26 -0.74 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1xax s LEU 86 Cb -0.09 -0.23 0.16 0.00 0.50 0.00 0.00 46.19 46.52 1xax s LEU 86 CO 0.17 -0.26 0.31 -0.69 -1.32 0.00 0.00 176.35 174.55 1xax s VAL 87 N -2.17 0.89 0.53 1.68 1.01 0.10 0.22 120.40 122.66 1xax s VAL 87 Ca 0.00 -2.65 -0.08 0.00 0.00 0.00 0.00 61.98 59.25 1xax s VAL 87 Cb -0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1xax s VAL 87 CO -0.01 -1.07 0.88 -0.51 0.00 0.00 0.00 175.10 174.39 1xax s ILE 88 N 0.13 4.81 -0.15 2.22 1.10 0.22 -2.95 121.20 126.58 1xax s ILE 88 Ca 0.25 0.54 -0.14 0.00 -0.51 0.00 0.00 60.65 60.79 1xax s ILE 88 Cb -0.09 -3.85 -0.05 0.00 0.15 0.00 0.00 42.46 38.62 1xax s ILE 88 CO -0.10 -0.92 0.31 0.00 -2.11 0.00 0.00 174.94 172.12 1xax n ARG 90 N 3.44 0.90 -0.09 0.00 0.63 -1.23 -3.46 116.66 116.85 1xax n ARG 90 Ca -0.12 -0.33 -0.22 0.00 -0.92 0.00 0.00 57.85 56.26 1xax n ARG 90 Cb 0.52 -1.49 -0.12 0.00 0.45 0.00 0.00 32.46 31.82 1xax n ARG 90 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1xax n GLN 91 N -0.76 0.65 -0.07 -0.14 6.02 -1.26 -3.85 117.38 117.97 1xax n GLN 91 Ca 0.17 0.29 -0.12 0.00 -0.01 0.00 0.00 57.00 57.32 1xax n GLN 91 Cb 0.27 -1.61 -0.11 0.00 1.02 0.00 0.00 30.24 29.81 1xax n GLN 91 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1xax h VAL 92 N -0.39 1.44 -0.57 5.09 3.04 -1.95 -2.87 116.25 120.04 1xax h VAL 92 Ca -0.52 -2.12 -0.08 0.00 -1.01 0.00 0.00 66.70 62.97 1xax h VAL 92 Cb 1.76 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 33.78 1xax h VAL 92 CO -0.14 0.49 0.04 -0.37 -1.01 0.00 0.00 177.57 176.58 1xax h VAL 93 N -1.00 1.25 -0.28 1.51 -1.51 -1.83 0.91 116.25 115.31 1xax h VAL 93 Ca -0.03 -1.04 -0.06 0.00 -1.23 0.00 0.00 66.70 64.34 1xax h VAL 93 Cb 0.87 0.78 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 1xax h VAL 93 CO -0.02 0.38 -0.10 -0.08 -1.23 0.00 0.00 177.57 176.52 1xax h GLU 94 N 0.88 0.46 -0.09 5.19 4.57 -1.71 0.25 114.58 124.13 1xax h GLU 94 Ca 0.17 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1xax h GLU 94 Cb 0.47 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1xax h GLU 94 CO 0.02 0.57 -0.24 0.00 -1.18 0.00 0.00 179.01 178.17 1xax h ARG 95 N 0.43 0.32 -0.29 1.92 -0.00 -1.17 0.31 114.38 115.90 1xax h ARG 95 Ca 0.08 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.98 59.33 1xax h ARG 95 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 1xax h ARG 95 CO 0.02 0.84 0.15 0.93 0.00 0.00 0.00 179.97 181.92 1xax h GLU 96 N -0.15 0.41 -0.13 0.04 4.39 -0.57 0.34 114.58 118.91 1xax h GLU 96 Ca -0.01 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1xax h GLU 96 Cb 0.86 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1xax h GLU 96 CO 0.05 0.37 -0.04 0.00 -1.16 0.00 0.00 179.01 178.22 1xax h ALA 97 N 1.02 0.18 -0.48 3.43 0.00 -0.55 0.28 119.26 123.14 1xax h ALA 97 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xax h ALA 97 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xax h ALA 97 CO -0.02 -0.06 0.24 0.66 0.00 0.00 0.00 179.25 180.07 1xax h SER 98 N -0.07 0.59 0.86 0.00 4.64 -0.28 0.41 113.55 119.70 1xax h SER 98 Ca 0.03 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1xax h SER 98 Cb 0.48 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1xax h SER 98 CO 0.02 0.50 -1.05 -0.08 -0.87 0.00 0.00 176.83 175.35 1xax h GLU 99 N 0.67 0.09 0.00 4.77 4.81 -0.20 -3.26 114.58 121.46 1xax h GLU 99 Ca 0.17 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 59.06 1xax h GLU 99 Cb 0.06 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1xax h GLU 99 CO -0.02 1.05 -0.91 1.96 -0.73 0.00 0.00 179.01 180.36 1xax h GLN 100 N 0.03 0.01 -4.76 1.92 1.08 0.22 -3.48 115.11 110.13 1xax h GLN 100 Ca -0.05 -0.02 -0.26 0.00 -1.45 0.00 0.00 58.65 56.88 1xax h GLN 100 Cb 1.79 0.01 0.13 0.00 -0.05 0.00 0.00 27.48 29.35 1xax h GLN 100 CO 0.15 0.91 -0.58 -1.91 -0.95 0.00 0.00 178.83 176.45 1xax n GLU 101 N -3.48 -5.16 -4.15 1.46 2.13 0.14 -5.04 120.64 106.55 1xax n GLU 101 Ca -0.01 0.64 -0.22 0.00 0.66 0.00 0.00 57.16 58.23 1xax n GLU 101 Cb 0.86 -5.06 -0.05 0.00 0.27 0.00 0.00 31.44 27.45 1xax n GLU 101 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xax s LYS 102 N -5.15 2.64 -0.38 5.31 -2.85 -1.23 -5.03 119.74 113.05 1xax s LYS 102 Ca 0.05 -1.24 -0.38 0.00 -1.00 0.00 0.00 55.97 53.40 1xax s LYS 102 Cb -0.02 -2.38 -0.13 0.00 -2.06 0.00 0.00 37.83 33.23 1xax s LYS 102 CO 0.55 0.34 2.16 -2.30 0.10 0.00 0.00 175.35 176.20 1xax n PRO 103 N -1.09 0.82 -0.13 1.78 -0.02 -1.26 -4.79 135.00 130.30 1xax n PRO 103 Ca -0.06 0.22 0.23 0.00 -2.02 0.00 0.00 63.50 61.87 1xax n PRO 103 Cb 0.59 -2.22 0.65 0.00 -0.02 0.00 0.00 33.50 32.50 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 11.39 0.12 -0.09 2.45 7.12 -1.97 -1.49 115.31 132.85 1xax h LEU 104 Ca -0.24 0.01 0.04 0.00 0.13 0.00 0.00 57.88 57.83 1xax h LEU 104 Cb 1.35 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 41.41 1xax h LEU 104 CO 1.03 0.05 -0.22 0.24 -0.13 0.00 0.00 178.44 179.42 1xax h MET 105 N 0.12 -0.29 0.00 1.25 2.86 -2.01 -0.53 114.93 116.33 1xax h MET 105 Ca 0.37 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 1xax h MET 105 Cb 1.29 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 1xax h MET 105 CO -0.05 -0.19 -0.12 0.00 1.06 0.00 0.00 176.91 177.61 1xax h ALA 106 N 0.65 1.09 0.40 6.32 0.00 -1.66 -3.12 119.26 122.94 1xax h ALA 106 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xax h ALA 106 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xax h ALA 106 CO -0.26 0.14 -0.43 1.25 0.00 0.00 0.00 179.25 179.96 1xax h HIS 107 N 0.00 -1.19 -0.12 0.00 6.17 -0.72 0.35 115.15 119.64 1xax h HIS 107 Ca -0.00 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 1xax h HIS 107 Cb 0.51 0.47 -0.01 0.00 2.52 0.00 0.00 27.41 30.90 1xax h HIS 107 CO 0.00 -0.56 0.05 -1.49 0.71 0.00 0.00 177.93 176.64 1xax h TRP 108 N -0.84 0.19 -0.99 5.26 6.55 -1.56 1.06 115.95 125.61 1xax h TRP 108 Ca -0.05 -0.01 0.14 0.00 0.95 0.00 0.00 58.89 59.91 1xax h TRP 108 Cb 0.73 -0.06 -0.09 0.00 -0.86 0.00 0.00 29.16 28.89 1xax h TRP 108 CO -0.24 0.28 0.62 0.00 -1.05 0.00 0.00 178.44 178.05 1xax h ALA 109 N 0.89 1.58 0.11 1.49 0.00 -1.47 0.15 119.26 122.02 1xax h ALA 109 Ca 0.04 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 1xax h ALA 109 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xax h ALA 109 CO -0.00 0.14 -1.10 1.25 0.00 0.00 0.00 179.25 179.54 1xax h HIS 110 N 0.92 0.43 -0.17 0.00 -0.00 -0.06 -3.15 115.15 113.11 1xax h HIS 110 Ca 0.51 -0.31 0.05 0.00 -0.00 0.00 0.00 60.37 60.62 1xax h HIS 110 Cb 0.59 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 1xax h HIS 110 CO -0.00 1.43 0.18 0.52 -0.00 0.00 0.00 177.93 180.05 1xax h MET 111 N -0.41 0.00 0.00 5.26 2.07 0.16 0.32 114.93 122.33 1xax h MET 111 Ca -0.23 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.36 1xax h MET 111 Cb 1.64 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.37 1xax h MET 111 CO 0.07 0.00 -0.23 -0.39 1.07 0.00 0.00 176.91 177.43 1xax h VAL 112 N 0.00 1.47 -0.20 -2.22 -1.51 -0.81 -2.86 116.25 110.13 1xax h VAL 112 Ca 0.08 -2.19 -0.03 0.00 -1.23 0.00 0.00 66.70 63.32 1xax h VAL 112 Cb 0.43 2.87 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 1xax h VAL 112 CO -0.00 0.50 -0.01 0.58 -1.23 0.00 0.00 177.57 177.41 1xax h VAL 113 N -1.00 1.26 -0.83 7.19 2.07 -1.42 0.20 116.25 123.72 1xax h VAL 113 Ca -0.06 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1xax h VAL 113 Cb 0.97 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1xax h VAL 113 CO -0.04 0.27 0.48 1.12 0.02 0.00 0.00 177.57 179.42 1xax h HIS 114 N 0.11 1.13 0.00 1.57 2.07 -0.54 -1.39 115.15 118.10 1xax h HIS 114 Ca 0.06 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.50 1xax h HIS 114 Cb 0.41 -0.36 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 1xax h HIS 114 CO 0.04 0.77 -0.30 0.78 -3.07 0.00 0.00 177.93 176.15 1xax h GLY 115 N 1.15 0.00 0.02 6.13 0.00 -1.42 -2.57 103.07 106.39 1xax h GLY 115 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1xax h GLY 115 CO -0.05 0.00 -0.01 1.76 0.00 0.00 0.00 176.54 178.24 1xax h SER 116 N 0.00 -0.02 -0.04 0.19 0.02 -0.39 -3.28 113.55 110.03 1xax h SER 116 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xax h SER 116 Cb 1.00 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1xax h SER 116 CO 0.04 0.24 0.02 0.25 -1.14 0.00 0.00 176.83 176.25 1xax h LEU 117 N -0.54 0.05 -2.10 5.07 6.46 -1.42 -2.07 115.31 120.76 1xax h LEU 117 Ca -0.00 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1xax h LEU 117 Cb 0.02 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1xax h LEU 117 CO 0.00 0.09 0.31 -0.74 -0.62 0.00 0.00 178.44 177.48 1xax h HIS 118 N 0.01 0.00 0.11 1.25 2.76 -1.64 1.53 115.15 119.17 1xax h HIS 118 Ca 0.01 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.82 1xax h HIS 118 Cb 0.05 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1xax h HIS 118 CO -0.06 0.00 -2.05 -0.11 -1.30 0.00 0.00 177.93 174.41 1xax n LEU 119 N -2.97 2.65 0.00 0.26 0.00 -0.82 -4.77 117.00 111.34 1xax n LEU 119 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 56.01 56.17 1xax n LEU 119 Cb 0.36 -1.08 0.00 0.00 0.00 0.00 0.00 43.42 42.71 1xax n LEU 119 CO 0.15 0.86 0.00 0.00 0.00 0.00 0.00 177.39 178.40 1xax n LEU 120 N -3.45 0.00 -3.24 -1.96 -0.00 -0.74 -5.06 117.00 102.55 1xax n LEU 120 Ca -0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.61 1xax n LEU 120 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.47 1xax n LEU 120 CO 0.41 0.02 0.20 0.61 -0.00 0.00 0.00 177.39 178.63 1xax n GLY 121 N 0.00 -1.25 0.31 1.47 0.00 0.52 -4.81 105.19 101.43 1xax n GLY 121 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.08 0.00 -0.37 1.61 4.11 -1.26 -3.47 117.16 115.70 1xax n TYR 122 Ca -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.79 1xax n TYR 122 Cb 0.55 -0.04 0.21 0.00 -0.00 0.00 0.00 39.34 40.06 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 -0.07 3.92 -3.63 9.48 -0.08 -1.26 -4.93 116.55 119.97 1xax n ASP 123 Ca 0.00 -2.82 -0.25 0.00 -1.51 0.00 0.00 54.79 50.21 1xax n ASP 123 Cb 0.09 -0.67 0.22 0.00 2.34 0.00 0.00 41.12 43.11 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 -0.00 -2.70 -1.73 -0.67 1.44 -1.23 -4.32 115.22 106.00 1xax n HIS 124 Ca 0.28 -0.33 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 1xax n HIS 124 Cb 1.06 -1.42 0.00 0.00 0.12 0.00 0.00 29.99 29.75 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 -5.04 -5.05 1.68 0.61 -5.35 -1.26 -3.33 119.36 101.62 1xax n ILE 125 Ca 0.08 1.32 0.11 0.00 -0.27 0.00 0.00 62.75 63.98 1xax n ILE 125 Cb 0.50 -2.36 0.51 0.00 -1.74 0.00 0.00 39.64 36.55 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 1.60 1.31 -0.00 6.28 0.28 -1.26 -1.46 120.64 127.39 1xax n GLU 126 Ca 0.00 -0.46 -0.00 0.00 -0.16 0.00 0.00 57.16 56.53 1xax n GLU 126 Cb 0.00 -1.36 -0.00 0.00 1.43 0.00 0.00 31.44 31.51 1xax n GLU 126 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1xax h ASP 127 N 0.96 0.00 0.00 -1.84 5.19 -1.93 -3.43 116.42 115.37 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xax h ASP 127 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1xax h ASP 127 CO 0.00 0.02 0.00 0.47 -3.12 0.00 0.00 179.24 176.61 1xax n ASP 128 N -2.28 0.00 -0.60 6.45 8.00 -1.26 -4.48 116.55 122.37 1xax n ASP 128 Ca -0.00 0.00 0.48 0.00 0.71 0.00 0.00 54.79 55.97 1xax n ASP 128 Cb 0.01 -0.00 0.76 0.00 -0.02 0.00 0.00 41.12 41.86 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 -1.77 -1.57 114.58 114.57 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 -2.74 -0.15 -0.33 2.92 0.00 -0.53 0.15 120.51 119.82 1xax n ALA 130 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.89 1xax n ALA 130 Cb 1.82 0.11 0.16 0.00 0.00 0.00 0.00 19.45 21.54 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 0.98 0.75 0.00 5.08 -1.63 0.22 114.58 119.97 1xax h GLU 131 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1xax h GLU 131 Cb 0.00 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.04 1xax h GLU 131 CO 0.00 0.65 -0.36 0.93 -1.00 0.00 0.00 179.01 179.22 1xax h GLU 132 N 1.00 -0.97 -0.25 2.33 4.39 -1.25 0.56 114.58 120.38 1xax h GLU 132 Ca 0.40 0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.20 1xax h GLU 132 Cb 0.22 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1xax h GLU 132 CO -0.19 -0.65 0.04 1.98 -1.16 0.00 0.00 179.01 179.03 1xax h MET 133 N -1.03 0.13 0.11 2.33 4.05 0.15 0.48 114.93 121.13 1xax h MET 133 Ca -0.10 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1xax h MET 133 Cb 0.78 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1xax h MET 133 CO 0.17 0.08 -0.10 0.93 0.23 0.00 0.00 176.91 178.22 1xax h GLU 134 N 0.13 -0.22 0.83 0.39 5.08 -0.58 0.81 114.58 121.02 1xax h GLU 134 Ca 0.12 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1xax h GLU 134 Cb 0.12 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xax h GLU 134 CO -0.16 -0.15 -0.44 1.03 -1.00 0.00 0.00 179.01 178.29 1xax h SER 135 N -0.23 -1.09 -0.45 1.42 0.87 0.45 0.15 113.55 114.68 1xax h SER 135 Ca 0.00 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1xax h SER 135 Cb 0.22 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 1xax h SER 135 CO -0.03 -0.72 0.22 0.17 -0.53 0.00 0.00 176.83 175.95 1xax h LEU 136 N -1.17 0.33 -0.14 2.23 8.10 -0.01 0.20 115.31 124.84 1xax h LEU 136 Ca -0.11 0.02 0.04 0.00 0.11 0.00 0.00 57.88 57.94 1xax h LEU 136 Cb 0.92 -0.04 -0.05 0.00 -0.44 0.00 0.00 40.66 41.05 1xax h LEU 136 CO 0.15 0.23 -0.14 -0.08 -4.11 0.00 0.00 178.44 174.50 1xax h GLU 137 N 0.45 -0.15 0.00 0.17 4.81 0.76 0.11 114.58 120.73 1xax h GLU 137 Ca 0.19 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1xax h GLU 137 Cb 0.10 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1xax h GLU 137 CO -0.13 -0.10 -0.13 0.00 -0.73 0.00 0.00 179.01 177.91 1xax h THR 138 N -0.16 0.70 -0.13 0.32 1.03 -0.24 0.34 112.91 114.78 1xax h THR 138 Ca 0.10 -0.53 -0.23 0.00 -0.01 0.00 0.00 66.41 65.74 1xax h THR 138 Cb 0.30 1.32 0.01 0.00 -1.07 0.00 0.00 68.15 68.72 1xax h THR 138 CO -0.24 0.13 -0.83 -0.61 -0.01 0.00 0.00 175.52 173.96 1xax h GLN 139 N 0.00 0.78 0.04 0.00 4.15 0.14 1.08 115.11 121.30 1xax h GLN 139 Ca -0.00 -0.67 -0.27 0.00 0.77 0.00 0.00 58.65 58.48 1xax h GLN 139 Cb 0.31 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 1xax h GLN 139 CO 0.02 1.27 -1.39 0.82 -1.93 0.00 0.00 178.83 177.62 1xax h ILE 140 N 0.52 1.26 0.00 2.39 2.04 -0.47 -2.30 117.51 120.95 1xax h ILE 140 Ca -0.07 -3.00 -0.05 0.00 1.00 0.00 0.00 64.86 62.74 1xax h ILE 140 Cb 1.46 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 40.22 1xax h ILE 140 CO 0.17 0.78 -0.50 0.24 0.00 0.00 0.00 178.15 178.84 1xax h MET 141 N 0.02 0.00 0.12 2.37 2.86 -0.40 -3.40 114.93 116.50 1xax h MET 141 Ca -0.17 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.18 1xax h MET 141 Cb 1.92 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.58 1xax h MET 141 CO 0.12 0.37 -1.48 0.37 1.06 0.00 0.00 176.91 177.35 1xax h GLN 142 N -1.00 0.25 -1.67 1.72 4.15 0.20 -2.48 115.11 116.27 1xax h GLN 142 Ca -0.08 -0.43 0.50 0.00 0.77 0.00 0.00 58.65 59.42 1xax h GLN 142 Cb 0.64 0.16 -0.09 0.00 0.21 0.00 0.00 27.48 28.39 1xax h GLN 142 CO -0.05 1.20 1.17 0.78 -1.93 0.00 0.00 178.83 180.00 1xax h GLY 143 N 0.17 0.46 0.00 2.39 0.00 0.14 0.78 103.07 107.01 1xax h GLY 143 Ca -0.32 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1xax h GLY 143 CO 0.06 -0.15 -1.47 1.04 0.00 0.00 0.00 176.54 176.03 1xax n LEU 144 N -4.23 0.00 -1.56 3.11 4.32 -1.24 -5.01 117.00 112.38 1xax n LEU 144 Ca 0.40 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1xax n LEU 144 Cb 1.75 0.08 -0.00 0.00 -1.62 0.00 0.00 43.42 43.63 1xax n LEU 144 CO 0.36 0.08 -0.04 0.61 -1.22 0.00 0.00 177.39 177.18 1xax n GLY 145 N 2.21 -3.08 0.57 -0.72 0.00 0.26 -5.12 105.19 99.32 1xax n GLY 145 Ca -0.07 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01