#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xax s VAL 4 N 0.00 4.75 -0.29 2.46 0.11 -0.53 -0.18 120.40 126.73 1xax s VAL 4 Ca 0.00 -0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 58.83 1xax s VAL 4 Cb 0.00 -4.33 0.02 0.00 -1.53 0.00 0.00 36.38 30.54 1xax s VAL 4 CO 0.00 -0.83 0.03 -0.76 -3.33 0.00 0.00 175.10 170.21 1xax s LEU 5 N 2.98 3.71 -0.01 2.54 1.43 0.12 -4.93 118.68 124.52 1xax s LEU 5 Ca 0.20 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1xax s LEU 5 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1xax s LEU 5 CO 0.15 -0.20 -0.22 0.54 0.23 0.00 0.00 176.35 176.86 1xax s VAL 6 N 1.41 1.71 -0.07 -1.59 0.11 -1.26 -0.10 120.40 120.62 1xax s VAL 6 Ca 0.00 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 58.07 1xax s VAL 6 Cb -0.18 -1.43 0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1xax s VAL 6 CO -0.00 0.45 0.14 1.51 -3.33 0.00 0.00 175.10 173.87 1xax s ASP 7 N -0.59 0.18 0.01 3.54 -4.77 0.63 -4.96 116.67 110.71 1xax s ASP 7 Ca 0.08 0.28 0.08 0.00 -3.30 0.00 0.00 52.55 49.69 1xax s ASP 7 Cb -0.08 0.17 -0.02 0.00 -1.09 0.00 0.00 42.92 41.89 1xax s ASP 7 CO -0.01 -0.18 -0.24 -1.48 0.70 0.00 0.00 175.17 173.97 1xax s LEU 8 N 1.50 2.22 0.01 2.11 0.05 -1.26 -0.09 118.68 123.22 1xax s LEU 8 Ca -0.05 -0.48 0.01 0.00 0.05 0.00 0.00 54.13 53.65 1xax s LEU 8 Cb -0.12 -1.36 -0.01 0.00 -2.05 0.00 0.00 46.19 42.65 1xax s LEU 8 CO -0.06 0.29 -0.03 0.00 -0.55 0.00 0.00 176.35 176.01 1xax s GLN 9 N -0.93 0.25 0.19 1.48 0.00 0.35 -4.85 119.66 116.15 1xax s GLN 9 Ca 0.11 -0.37 0.07 0.00 -0.00 0.00 0.00 55.36 55.17 1xax s GLN 9 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 33.01 32.82 1xax s GLN 9 CO 0.01 0.00 0.08 -1.50 0.00 0.00 0.00 175.29 173.88 1xax s ILE 10 N -0.78 4.07 -0.11 3.63 2.07 -1.26 0.70 121.20 129.52 1xax s ILE 10 Ca -0.07 -1.35 0.16 0.00 -1.41 0.00 0.00 60.65 57.98 1xax s ILE 10 Cb -0.06 -3.09 0.32 0.00 0.13 0.00 0.00 42.46 39.76 1xax s ILE 10 CO -0.00 -0.17 1.18 0.00 -1.91 0.00 0.00 174.94 174.03 1xax n ALA 11 N -0.43 2.90 -2.23 1.50 0.00 0.02 -4.88 120.51 117.40 1xax n ALA 11 Ca -0.09 -1.73 -0.16 0.00 0.00 0.00 0.00 53.44 51.47 1xax n ALA 11 Cb 0.56 -0.67 0.10 0.00 0.00 0.00 0.00 19.45 19.44 1xax n ALA 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xax n THR 12 N -0.23 0.00 -0.10 0.00 -2.24 -1.26 -4.15 114.28 106.30 1xax n THR 12 Ca -0.08 -0.95 -0.16 0.00 -2.27 0.00 0.00 64.05 60.59 1xax n THR 12 Cb 0.90 -1.24 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 1xax n THR 12 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xax n GLU 13 N -2.47 0.50 -3.65 -0.78 4.07 -1.26 -5.02 120.64 112.04 1xax n GLU 13 Ca 0.11 0.14 -0.10 0.00 -0.06 0.00 0.00 57.16 57.26 1xax n GLU 13 Cb 0.40 -1.38 -0.08 0.00 -0.06 0.00 0.00 31.44 30.33 1xax n GLU 13 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1xax s ASN 14 N -6.22 -0.82 0.26 4.31 0.01 -1.26 -5.18 114.94 106.04 1xax s ASN 14 Ca -0.28 1.39 0.01 0.00 -0.71 0.00 0.00 52.86 53.27 1xax s ASN 14 Cb 0.08 1.31 -0.05 0.00 0.41 0.00 0.00 41.25 43.01 1xax s ASN 14 CO 0.45 -0.23 0.12 -0.63 -1.51 0.00 0.00 177.10 175.30 1xax s ILE 15 N 1.19 0.41 -0.42 0.60 1.09 -1.26 -5.04 121.20 117.77 1xax s ILE 15 Ca -0.07 -2.00 0.03 0.00 -1.10 0.00 0.00 60.65 57.51 1xax s ILE 15 Cb -0.05 -2.58 0.56 0.00 -1.06 0.00 0.00 42.46 39.33 1xax s ILE 15 CO -0.12 0.00 1.84 -0.62 -0.10 0.00 0.00 174.94 175.93 1xax n GLU 16 N -0.47 2.14 0.00 2.79 1.02 -1.26 -4.67 120.64 120.19 1xax n GLU 16 Ca 0.01 -2.66 0.00 0.00 -0.02 0.00 0.00 57.16 54.48 1xax n GLU 16 Cb 0.66 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.90 -0.61 3.44 0.62 0.00 -1.26 -5.14 105.19 101.34 1xax n GLY 17 Ca 0.53 0.37 -0.41 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.25 -4.77 0.99 -0.00 -1.26 -4.92 117.00 106.78 1xax n LEU 18 Ca 0.00 0.88 -0.38 0.00 -0.00 0.00 0.00 56.01 56.51 1xax n LEU 18 Cb 0.00 -1.10 -0.06 0.00 -0.00 0.00 0.00 43.42 42.26 1xax n LEU 18 CO 0.00 -3.04 0.63 -2.16 -0.00 0.00 0.00 177.39 172.82 1xax s PRO 19 N -1.57 4.69 -0.12 1.47 0.04 -1.26 -5.07 135.00 133.19 1xax s PRO 19 Ca 0.63 1.37 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1xax s PRO 19 Cb -0.59 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 30.92 1xax s PRO 19 CO 0.58 0.40 -0.19 -0.08 0.04 0.00 0.00 177.00 177.75 1xax s THR 20 N -1.41 2.44 0.13 1.26 -1.32 -1.26 -4.98 115.64 110.50 1xax s THR 20 Ca 0.45 -0.87 -0.19 0.00 -1.21 0.00 0.00 61.69 59.87 1xax s THR 20 Cb -0.22 -1.98 -0.05 0.00 -1.51 0.00 0.00 72.50 68.74 1xax s THR 20 CO 0.27 0.54 1.77 1.05 -2.21 0.00 0.00 174.62 176.04 1xax h GLU 21 N 6.85 0.24 -0.24 7.08 -0.00 -1.97 -0.67 114.58 125.88 1xax h GLU 21 Ca -0.24 -0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.16 1xax h GLU 21 Cb 1.22 -0.06 -0.07 0.00 -0.00 0.00 0.00 28.75 29.84 1xax h GLU 21 CO 0.52 0.16 -0.31 0.93 -0.00 0.00 0.00 179.01 180.31 1xax h GLU 22 N 0.25 -0.31 0.84 1.06 5.08 -1.97 1.35 114.58 120.88 1xax h GLU 22 Ca 0.09 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1xax h GLU 22 Cb 0.01 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1xax h GLU 22 CO -0.06 -0.21 -0.40 0.37 -1.00 0.00 0.00 179.01 177.71 1xax h GLN 23 N -0.33 -1.08 0.59 2.33 5.75 -1.94 0.12 115.11 120.54 1xax h GLN 23 Ca 0.13 0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1xax h GLN 23 Cb 0.53 0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 1xax h GLN 23 CO -0.42 -0.71 -0.41 0.82 -2.65 0.00 0.00 178.83 175.45 1xax h ILE 24 N -1.22 0.00 -0.25 2.39 2.04 -0.93 0.99 117.51 120.53 1xax h ILE 24 Ca -0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1xax h ILE 24 Cb 0.87 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 1xax h ILE 24 CO 0.19 0.00 -0.38 0.58 0.00 0.00 0.00 178.15 178.54 1xax h VAL 25 N -0.95 0.19 -0.83 1.67 2.07 0.17 0.21 116.25 118.78 1xax h VAL 25 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1xax h VAL 25 Cb 0.78 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1xax h VAL 25 CO 0.04 0.00 0.52 -0.61 0.02 0.00 0.00 177.57 177.55 1xax h GLN 26 N -0.38 1.12 0.46 1.57 4.15 -0.71 0.79 115.11 122.11 1xax h GLN 26 Ca 0.12 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1xax h GLN 26 Cb 0.58 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1xax h GLN 26 CO -0.45 0.77 -0.43 2.35 -1.93 0.00 0.00 178.83 179.13 1xax h TRP 27 N 1.14 -1.19 0.00 3.99 -0.00 0.25 0.45 115.95 120.59 1xax h TRP 27 Ca 0.30 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.20 1xax h TRP 27 Cb -0.08 0.46 0.00 0.00 -0.00 0.00 0.00 29.16 29.54 1xax h TRP 27 CO -0.01 -0.58 0.00 0.00 -0.00 0.00 0.00 178.44 177.85 1xax n ALA 28 N -2.72 0.00 0.29 2.65 0.00 0.61 -3.14 120.51 118.20 1xax n ALA 28 Ca -0.10 -0.01 0.18 0.00 0.00 0.00 0.00 53.44 53.51 1xax n ALA 28 Cb 0.40 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.80 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 0.17 -0.13 0.00 2.02 -0.54 -0.46 112.91 113.97 1xax h THR 29 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.95 1xax h THR 29 Cb 0.00 0.83 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1xax h THR 29 CO 0.00 0.00 -0.81 1.23 0.37 0.00 0.00 175.52 176.31 1xax h GLY 30 N 0.00 0.84 1.29 2.16 0.00 0.26 -1.65 103.07 105.96 1xax h GLY 30 Ca 0.03 -1.22 0.10 0.00 0.00 0.00 0.00 47.33 46.24 1xax h GLY 30 CO -0.00 1.08 0.26 0.00 0.00 0.00 0.00 176.54 177.89 1xax h ALA 31 N 0.56 2.29 0.00 3.60 0.00 -0.55 0.16 119.26 125.32 1xax h ALA 31 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xax h ALA 31 Cb 1.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1xax h ALA 31 CO 0.16 -0.39 -0.67 1.55 0.00 0.00 0.00 179.25 179.90 1xax n VAL 32 N -4.44 0.06 -0.21 0.00 3.14 -1.13 -4.42 118.33 111.34 1xax n VAL 32 Ca 0.06 -0.07 -0.06 0.00 -2.96 0.00 0.00 64.34 61.31 1xax n VAL 32 Cb 0.42 0.31 -0.01 0.00 -1.06 0.00 0.00 33.84 33.50 1xax n VAL 32 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1xax h GLN 33 N 0.00 -0.18 -1.75 1.45 5.75 0.32 0.94 115.11 121.64 1xax h GLN 33 Ca 0.00 0.01 0.51 0.00 -0.15 0.00 0.00 58.65 59.02 1xax h GLN 33 Cb 0.56 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.08 1xax h GLN 33 CO 0.00 -0.12 1.30 -1.00 -2.65 0.00 0.00 178.83 176.36 1xax h PRO 34 N -0.18 0.00 0.00 -2.39 0.13 -1.77 -1.46 132.00 126.32 1xax h PRO 34 Ca 0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.27 1xax h PRO 34 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1xax h PRO 34 CO -0.69 0.00 -0.85 -1.91 -0.23 0.00 0.00 178.00 174.32 1xax n GLU 35 N -3.92 0.49 -1.38 0.86 0.00 0.24 -5.10 120.64 111.84 1xax n GLU 35 Ca 0.39 0.49 -0.00 0.00 0.00 0.00 0.00 57.16 58.04 1xax n GLU 35 Cb 1.83 -1.67 -0.00 0.00 0.00 0.00 0.00 31.44 31.61 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xax n GLY 36 N 1.54 -3.37 3.05 8.31 0.00 -0.55 -5.05 105.19 109.11 1xax n GLY 36 Ca -0.16 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 1xax n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xax s ASN 37 N -0.11 1.55 -0.16 1.61 -0.87 -1.26 -4.54 114.94 111.16 1xax s ASN 37 Ca -0.02 -0.25 -0.29 0.00 -1.57 0.00 0.00 52.86 50.74 1xax s ASN 37 Cb 0.00 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.25 40.75 1xax s ASN 37 CO 0.04 0.10 2.12 -0.70 -2.57 0.00 0.00 177.10 176.09 1xax s GLU 38 N 0.14 3.41 -0.09 -0.60 2.12 -1.25 -1.45 118.70 120.98 1xax s GLU 38 Ca -0.03 2.14 -0.30 0.00 0.36 0.00 0.00 54.97 57.13 1xax s GLU 38 Cb -0.10 -4.30 0.12 0.00 0.26 0.00 0.00 34.13 30.11 1xax s GLU 38 CO 0.01 -1.79 0.97 0.14 -0.54 0.00 0.00 175.26 174.05 1xax s VAL 39 N 7.21 0.00 -0.36 3.70 -7.23 0.75 -4.51 120.40 119.95 1xax s VAL 39 Ca 0.96 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 61.14 1xax s VAL 39 Cb -0.35 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.71 1xax s VAL 39 CO 0.36 0.00 0.15 -0.70 -0.31 0.00 0.00 175.10 174.60 1xax s GLU 40 N -2.34 1.01 -0.39 4.82 2.12 -1.25 0.14 118.70 122.81 1xax s GLU 40 Ca 0.03 -1.52 -0.15 0.00 0.36 0.00 0.00 54.97 53.70 1xax s GLU 40 Cb -0.01 -2.24 0.01 0.00 0.26 0.00 0.00 34.13 32.15 1xax s GLU 40 CO -0.05 -1.05 0.33 1.41 -0.54 0.00 0.00 175.26 175.35 1xax s MET 41 N 1.05 3.21 -0.13 4.30 1.75 0.86 -0.29 119.30 130.05 1xax s MET 41 Ca 0.13 -0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 53.77 1xax s MET 41 Cb -0.20 -3.91 -0.02 0.00 2.84 0.00 0.00 34.83 33.53 1xax s MET 41 CO -0.13 -0.67 -0.07 0.99 -0.65 0.00 0.00 175.02 174.49 1xax s THR 42 N 1.84 3.62 0.01 10.11 2.01 0.46 -0.27 115.64 133.42 1xax s THR 42 Ca 0.08 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1xax s THR 42 Cb -0.18 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 1xax s THR 42 CO 0.11 0.53 -0.02 0.68 -0.69 0.00 0.00 174.62 175.23 1xax s VAL 43 N 0.07 0.07 -0.04 3.82 -7.23 0.86 -0.79 120.40 117.16 1xax s VAL 43 Ca -0.02 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1xax s VAL 43 Cb -0.14 -0.15 0.03 0.00 0.56 0.00 0.00 36.38 36.68 1xax s VAL 43 CO 0.03 -0.25 0.03 -0.60 -0.31 0.00 0.00 175.10 174.01 1xax s ARG 44 N -0.74 0.15 -0.47 4.82 3.52 0.30 -0.49 118.95 126.04 1xax s ARG 44 Ca -0.08 0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.67 1xax s ARG 44 Cb -0.05 -0.59 0.11 0.00 -1.56 0.00 0.00 34.95 32.86 1xax s ARG 44 CO -0.00 -0.28 0.35 0.96 -0.81 0.00 0.00 175.30 175.52 1xax s ILE 45 N 1.84 4.41 0.22 4.11 -4.36 0.22 0.19 121.20 127.83 1xax s ILE 45 Ca 0.01 -1.61 0.09 0.00 -0.26 0.00 0.00 60.65 58.88 1xax s ILE 45 Cb -0.12 -3.82 -0.05 0.00 1.25 0.00 0.00 42.46 39.71 1xax s ILE 45 CO -0.03 -0.71 -0.16 0.54 0.24 0.00 0.00 174.94 174.82 1xax s VAL 46 N 1.43 1.89 1.10 8.37 0.11 -0.47 -0.80 120.40 132.02 1xax s VAL 46 Ca 0.05 -2.25 -0.19 0.00 -2.93 0.00 0.00 61.98 56.65 1xax s VAL 46 Cb -0.26 -2.09 0.07 0.00 -1.53 0.00 0.00 36.38 32.56 1xax s VAL 46 CO 0.01 -0.56 -0.17 0.47 -3.33 0.00 0.00 175.10 171.53 1xax n ASP 47 N -0.43 -2.47 0.16 3.54 8.00 -1.26 -3.35 116.55 120.74 1xax n ASP 47 Ca -0.07 -0.09 -0.06 0.00 0.71 0.00 0.00 54.79 55.28 1xax n ASP 47 Cb 0.60 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 1xax n ASP 47 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xax h GLU 48 N -1.91 -0.39 -0.56 -1.24 4.81 -1.96 -1.42 114.58 111.90 1xax h GLU 48 Ca -0.52 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1xax h GLU 48 Cb 1.36 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.79 1xax h GLU 48 CO 0.36 -0.26 0.33 0.00 -0.73 0.00 0.00 179.01 178.71 1xax h ALA 49 N -1.74 0.72 -0.46 2.92 0.00 -1.98 -1.81 119.26 116.91 1xax h ALA 49 Ca -0.04 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xax h ALA 49 Cb 0.31 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1xax h ALA 49 CO 0.07 0.04 0.06 0.93 0.00 0.00 0.00 179.25 180.34 1xax h GLU 50 N 0.65 0.18 0.31 0.00 5.08 -1.92 0.31 114.58 119.19 1xax h GLU 50 Ca 0.23 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1xax h GLU 50 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xax h GLU 50 CO -0.11 0.12 -0.15 0.66 -1.00 0.00 0.00 179.01 178.53 1xax h SER 51 N 0.18 -0.36 -0.13 1.42 4.64 -0.88 0.88 113.55 119.29 1xax h SER 51 Ca 0.23 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.53 1xax h SER 51 Cb 0.32 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1xax h SER 51 CO -0.33 -0.17 0.10 0.45 -0.87 0.00 0.00 176.83 176.01 1xax h HIS 52 N -0.53 0.00 0.11 4.77 3.86 -0.95 0.19 115.15 122.60 1xax h HIS 52 Ca -0.04 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.87 1xax h HIS 52 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1xax h HIS 52 CO -0.03 0.00 -1.47 0.93 0.86 0.00 0.00 177.93 178.22 1xax h GLU 53 N 0.00 0.22 0.62 2.45 4.39 0.01 -3.02 114.58 119.25 1xax h GLU 53 Ca 0.06 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 1xax h GLU 53 Cb 0.27 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1xax h GLU 53 CO -0.00 1.09 -0.30 1.25 -1.16 0.00 0.00 179.01 179.89 1xax h LEU 54 N 0.06 -0.70 -0.58 1.33 7.12 0.23 0.27 115.31 123.05 1xax h LEU 54 Ca -0.22 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 57.80 1xax h LEU 54 Cb 2.00 0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 42.27 1xax h LEU 54 CO 0.16 -0.34 0.35 -0.55 -0.13 0.00 0.00 178.44 177.92 1xax h ASN 55 N -1.10 0.56 -0.00 1.25 -1.07 -0.86 -2.67 115.58 111.69 1xax h ASN 55 Ca -0.08 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.29 1xax h ASN 55 Cb 0.68 -0.11 -0.00 0.00 -2.07 0.00 0.00 38.32 36.82 1xax h ASN 55 CO 0.14 0.39 -0.00 -0.07 0.07 0.00 0.00 177.43 177.96 1xax h LEU 56 N 0.68 0.00 -2.13 6.14 4.07 -1.57 0.15 115.31 122.66 1xax h LEU 56 Ca 0.23 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1xax h LEU 56 Cb 0.03 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1xax h LEU 56 CO -0.10 0.40 0.13 0.00 -1.08 0.00 0.00 178.44 177.79 1xax h THR 57 N -0.40 0.00 0.00 0.22 1.03 -0.34 -0.93 112.91 112.49 1xax h THR 57 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.35 1xax h THR 57 Cb 0.40 0.71 -0.01 0.00 -1.07 0.00 0.00 68.15 68.18 1xax h THR 57 CO 0.00 0.00 -1.46 0.00 -0.01 0.00 0.00 175.52 174.06 1xax n TYR 58 N -2.73 0.00 0.00 0.00 4.11 -1.02 -4.92 117.16 112.61 1xax n TYR 58 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 1xax n TYR 58 Cb 0.18 -0.27 0.00 0.00 -0.00 0.00 0.00 39.34 39.25 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 -1.98 0.00 -0.48 -3.48 0.00 0.44 -5.08 116.66 106.08 1xax n ARG 59 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1xax n ARG 59 Cb 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 32.46 32.54 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 0.27 0.66 0.00 5.14 0.00 -0.40 -4.93 105.19 105.93 1xax n GLY 60 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.32 0.03 -0.03 1.61 4.76 -1.24 -4.89 118.16 118.09 1xax n LYS 61 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1xax n LYS 61 Cb 0.13 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.33 1xax n LYS 61 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xax n ASP 62 N -1.80 -1.15 -2.29 4.39 8.00 -1.26 -4.82 116.55 117.62 1xax n ASP 62 Ca 0.00 -0.03 -0.02 0.00 0.71 0.00 0.00 54.79 55.45 1xax n ASP 62 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1xax n ASP 62 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1xax n ARG 63 N -1.07 1.27 -1.10 -1.24 3.00 -1.26 -4.90 116.66 111.37 1xax n ARG 63 Ca 0.00 -0.34 -0.03 0.00 -0.00 0.00 0.00 57.85 57.48 1xax n ARG 63 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 32.46 32.47 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 -0.79 0.02 -0.16 -0.14 -0.02 -1.26 -4.81 135.00 127.83 1xax n PRO 64 Ca 0.00 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 1xax n PRO 64 Cb 0.06 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 5.33 0.00 -0.03 3.45 5.66 -1.26 -5.07 114.28 122.36 1xax n THR 65 Ca 0.08 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1xax n THR 65 Cb 0.48 -1.58 -0.02 0.00 -1.55 0.00 0.00 70.33 67.66 1xax n THR 65 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xax n ASN 66 N -1.16 3.27 -2.91 1.09 5.15 -1.26 -4.95 115.26 114.49 1xax n ASN 66 Ca 0.00 -0.02 -0.09 0.00 -0.60 0.00 0.00 54.58 53.87 1xax n ASN 66 Cb 0.00 -0.09 -0.02 0.00 -0.53 0.00 0.00 39.78 39.15 1xax n ASN 66 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xax s VAL 67 N -2.10 -0.70 0.45 3.44 1.01 -1.26 -3.91 120.40 117.33 1xax s VAL 67 Ca -0.07 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1xax s VAL 67 Cb 0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 36.38 36.02 1xax s VAL 67 CO 0.11 -0.28 0.94 -1.48 0.00 0.00 0.00 175.10 174.39 1xax s LEU 68 N 0.71 3.84 0.27 3.92 0.05 -1.15 -4.89 118.68 121.43 1xax s LEU 68 Ca 0.30 1.59 0.02 0.00 0.05 0.00 0.00 54.13 56.09 1xax s LEU 68 Cb 0.01 -4.47 -0.05 0.00 -2.05 0.00 0.00 46.19 39.63 1xax s LEU 68 CO -0.08 -0.43 0.12 -0.44 -0.55 0.00 0.00 176.35 174.96 1xax s SER 69 N -2.54 1.19 -0.64 1.48 0.01 -1.26 0.61 113.70 112.55 1xax s SER 69 Ca 0.60 -1.43 0.05 0.00 1.31 0.00 0.00 55.95 56.48 1xax s SER 69 Cb -0.09 0.24 0.18 0.00 0.21 0.00 0.00 66.02 66.56 1xax s SER 69 CO 0.20 -0.78 0.50 0.49 0.41 0.00 0.00 173.24 174.06 1xax n PHE 70 N -0.48 2.49 -2.63 2.43 3.72 1.00 -4.85 117.46 119.14 1xax n PHE 70 Ca 0.00 -4.11 -0.40 0.00 -0.05 0.00 0.00 57.45 52.89 1xax n PHE 70 Cb 0.66 -0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1xax n PHE 70 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1xax s PRO 71 N -1.33 4.72 0.79 -1.08 0.02 -1.26 -0.69 135.00 136.17 1xax s PRO 71 Ca 0.28 1.61 -0.13 0.00 0.02 0.00 0.00 61.00 62.78 1xax s PRO 71 Cb 0.00 -3.28 0.07 0.00 0.02 0.00 0.00 34.50 31.32 1xax s PRO 71 CO -0.16 0.29 1.18 -0.59 -0.33 0.00 0.00 177.00 177.39 1xax s PHE 72 N -0.75 1.98 -0.84 6.54 -0.71 -1.26 -4.76 117.98 118.18 1xax s PHE 72 Ca 0.45 1.66 -0.22 0.00 -1.04 0.00 0.00 56.93 57.77 1xax s PHE 72 Cb -0.28 -3.38 -0.18 0.00 -1.21 0.00 0.00 43.02 37.96 1xax s PHE 72 CO 0.34 -2.57 2.33 -1.91 -1.34 0.00 0.00 175.22 172.07 1xax n GLU 73 N -3.26 0.41 -1.54 1.99 2.13 -1.26 -4.83 120.64 114.29 1xax n GLU 73 Ca 0.12 -0.71 -0.40 0.00 0.66 0.00 0.00 57.16 56.83 1xax n GLU 73 Cb 0.51 -3.12 -0.05 0.00 0.27 0.00 0.00 31.44 29.04 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xax n PRO 75 N 8.80 1.91 0.00 0.00 -0.02 -1.26 -5.07 135.00 139.36 1xax n PRO 75 Ca 0.40 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1xax n PRO 75 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1xax n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xax n ASP 76 N 0.00 0.00 -2.56 2.55 8.00 -1.26 -4.83 116.55 118.45 1xax n ASP 76 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1xax n ASP 76 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.41 2.28 -0.28 -1.24 1.02 -1.26 -4.86 120.64 115.90 1xax n GLU 77 Ca 0.00 -3.84 0.09 0.00 -0.02 0.00 0.00 57.16 53.38 1xax n GLU 77 Cb 0.00 -1.75 0.32 0.00 -0.02 0.00 0.00 31.44 29.99 1xax n GLU 77 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1xax h VAL 78 N 2.99 0.93 -4.71 2.62 -1.51 -2.01 -3.47 116.25 111.09 1xax h VAL 78 Ca 0.09 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1xax h VAL 78 Cb 1.11 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1xax h VAL 78 CO 0.63 0.15 -0.15 -0.62 -1.23 0.00 0.00 177.57 176.36 1xax n GLU 79 N -4.54 -1.28 -3.82 5.19 1.02 -1.26 -5.07 120.64 110.88 1xax n GLU 79 Ca 0.16 1.42 -0.12 0.00 -0.02 0.00 0.00 57.16 58.59 1xax n GLU 79 Cb 0.35 -4.61 -0.09 0.00 -0.02 0.00 0.00 31.44 27.07 1xax n GLU 79 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1xax s LEU 80 N -2.96 1.22 -0.10 -4.62 0.05 -1.26 -4.89 118.68 106.12 1xax s LEU 80 Ca 0.07 -0.10 -0.24 0.00 0.05 0.00 0.00 54.13 53.92 1xax s LEU 80 Cb -0.02 0.97 -0.03 0.00 -2.05 0.00 0.00 46.19 45.06 1xax s LEU 80 CO 0.56 -0.43 0.72 -2.16 -0.55 0.00 0.00 176.35 174.49 1xax s PRO 81 N -1.52 4.38 0.00 1.48 0.04 -1.26 -4.68 135.00 133.44 1xax s PRO 81 Ca -0.13 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1xax s PRO 81 Cb -0.06 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1xax s PRO 81 CO 0.02 -0.06 0.00 1.47 0.04 0.00 0.00 177.00 178.47 1xax n LEU 82 N 4.26 0.00 0.00 -3.56 -0.00 -1.26 -4.34 117.00 112.09 1xax n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xax n LEU 82 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1xax n LEU 82 CO 0.47 0.00 -0.34 0.18 -0.00 0.00 0.00 177.39 177.70 1xax n LEU 83 N 0.00 0.00 0.00 1.47 7.99 0.60 -4.65 117.00 122.42 1xax n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1xax n LEU 83 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1xax n LEU 83 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1xax n GLY 84 N 1.73 -1.74 3.89 -0.72 0.00 -1.03 -4.75 105.19 102.58 1xax n GLY 84 Ca 0.00 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 1xax n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xax s ASP 85 N -4.00 5.64 -0.26 1.61 -1.08 0.14 -0.41 116.67 118.32 1xax s ASP 85 Ca 0.00 -0.29 -0.02 0.00 -0.52 0.00 0.00 52.55 51.72 1xax s ASP 85 Cb 0.00 -1.25 0.11 0.00 -1.46 0.00 0.00 42.92 40.32 1xax s ASP 85 CO 0.00 -0.26 0.24 -0.22 0.52 0.00 0.00 175.17 175.44 1xax s LEU 86 N -4.00 -0.05 -1.23 -1.34 0.20 0.03 -0.00 118.68 112.30 1xax s LEU 86 Ca 0.39 -0.65 -0.15 0.00 0.69 0.00 0.00 54.13 54.41 1xax s LEU 86 Cb -0.08 0.30 0.15 0.00 -0.43 0.00 0.00 46.19 46.14 1xax s LEU 86 CO 0.28 -0.37 1.49 -0.69 -0.29 0.00 0.00 176.35 176.76 1xax s VAL 87 N 2.30 4.86 0.56 1.68 1.01 0.20 0.11 120.40 131.12 1xax s VAL 87 Ca 0.08 -2.50 -0.13 0.00 0.00 0.00 0.00 61.98 59.44 1xax s VAL 87 Cb -0.15 -4.97 -0.06 0.00 0.00 0.00 0.00 36.38 31.21 1xax s VAL 87 CO -0.26 -1.70 0.99 -0.63 0.00 0.00 0.00 175.10 173.50 1xax s ILE 88 N 2.09 4.65 -0.16 2.22 1.01 0.13 -2.91 121.20 128.23 1xax s ILE 88 Ca 0.45 0.97 -0.11 0.00 0.00 0.00 0.00 60.65 61.96 1xax s ILE 88 Cb -0.01 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1xax s ILE 88 CO 0.02 -0.92 0.19 0.00 0.00 0.00 0.00 174.94 174.22 1xax n ARG 90 N 3.13 0.86 -0.05 0.00 5.12 -1.21 -3.40 116.66 121.10 1xax n ARG 90 Ca -0.16 -0.32 -0.17 0.00 -1.93 0.00 0.00 57.85 55.28 1xax n ARG 90 Cb 0.53 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 30.20 1xax n ARG 90 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1xax n GLN 91 N -0.79 0.70 -0.07 5.56 -0.06 -1.26 -3.58 117.38 117.87 1xax n GLN 91 Ca 0.16 0.20 -0.17 0.00 -2.00 0.00 0.00 57.00 55.19 1xax n GLN 91 Cb 0.27 -1.65 -0.13 0.00 -4.06 0.00 0.00 30.24 24.68 1xax n GLN 91 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 1xax h VAL 92 N 0.03 1.50 -0.18 1.69 -1.51 -1.93 -2.82 116.25 113.02 1xax h VAL 92 Ca -0.46 -2.31 -0.07 0.00 -1.23 0.00 0.00 66.70 62.64 1xax h VAL 92 Cb 2.02 3.02 -0.00 0.00 -2.13 0.00 0.00 31.29 34.20 1xax h VAL 92 CO 0.03 0.53 -0.16 -0.37 -1.23 0.00 0.00 177.57 176.36 1xax h VAL 93 N -0.96 1.33 -0.83 7.19 -1.51 -1.81 0.19 116.25 119.85 1xax h VAL 93 Ca -0.12 -1.31 -0.03 0.00 -1.23 0.00 0.00 66.70 64.01 1xax h VAL 93 Cb 1.13 1.78 -0.04 0.00 -2.13 0.00 0.00 31.29 32.03 1xax h VAL 93 CO -0.06 0.39 0.41 -0.08 -1.23 0.00 0.00 177.57 177.00 1xax h GLU 94 N 0.10 1.19 -0.05 5.19 4.81 -1.75 0.29 114.58 124.37 1xax h GLU 94 Ca 0.03 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1xax h GLU 94 Cb 0.70 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1xax h GLU 94 CO 0.04 0.91 -0.02 -0.09 -0.73 0.00 0.00 179.01 179.12 1xax h ARG 95 N 1.18 0.09 -0.76 1.92 2.43 -1.42 0.30 114.38 118.13 1xax h ARG 95 Ca 0.29 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1xax h ARG 95 Cb 0.11 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1xax h ARG 95 CO -0.04 0.48 0.46 1.49 -1.51 0.00 0.00 179.97 180.85 1xax h GLU 96 N -0.29 0.85 -0.24 0.20 4.57 -0.36 0.25 114.58 119.56 1xax h GLU 96 Ca 0.01 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1xax h GLU 96 Cb 0.45 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1xax h GLU 96 CO 0.01 0.56 -0.05 0.00 -1.18 0.00 0.00 179.01 178.35 1xax h ALA 97 N 1.35 0.33 0.00 2.92 0.00 -0.34 0.31 119.26 123.82 1xax h ALA 97 Ca 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xax h ALA 97 Cb 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xax h ALA 97 CO -0.14 0.12 -0.09 0.77 0.00 0.00 0.00 179.25 179.91 1xax h SER 98 N 0.20 0.00 0.75 0.00 0.02 0.18 0.28 113.55 114.97 1xax h SER 98 Ca 0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.76 1xax h SER 98 Cb 0.51 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1xax h SER 98 CO 0.02 0.09 -1.36 -0.33 -1.14 0.00 0.00 176.83 174.11 1xax h GLU 99 N 0.00 0.00 -0.01 3.45 5.08 -0.22 -3.31 114.58 119.57 1xax h GLU 99 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1xax h GLU 99 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1xax h GLU 99 CO 0.01 0.73 -0.69 0.37 -1.00 0.00 0.00 179.01 178.43 1xax h GLN 100 N 0.00 0.05 -2.93 2.33 5.75 0.50 -3.48 115.11 117.32 1xax h GLN 100 Ca -0.15 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 1xax h GLN 100 Cb 1.89 0.01 0.03 0.00 1.07 0.00 0.00 27.48 30.48 1xax h GLN 100 CO 0.10 0.72 -0.13 0.39 -2.65 0.00 0.00 178.83 177.27 1xax n GLU 101 N -3.74 -0.74 -3.85 1.69 -0.58 0.00 -5.07 120.64 108.36 1xax n GLU 101 Ca -0.01 0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 1xax n GLU 101 Cb 0.68 -2.65 -0.11 0.00 -0.57 0.00 0.00 31.44 28.79 1xax n GLU 101 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xax s LYS 102 N -3.77 0.39 0.21 3.49 2.47 -1.22 -5.10 119.74 116.21 1xax s LYS 102 Ca 0.03 -0.17 -0.32 0.00 -1.56 0.00 0.00 55.97 53.95 1xax s LYS 102 Cb -0.00 0.17 -0.15 0.00 -1.46 0.00 0.00 37.83 36.38 1xax s LYS 102 CO 0.12 -0.08 1.15 -2.30 0.16 0.00 0.00 175.35 174.39 1xax n PRO 103 N 1.98 1.30 0.34 4.03 -0.02 -1.26 -4.77 135.00 136.59 1xax n PRO 103 Ca -0.19 0.46 0.22 0.00 -2.02 0.00 0.00 63.50 61.97 1xax n PRO 103 Cb 0.57 -1.95 1.20 0.00 -0.02 0.00 0.00 33.50 33.29 1xax n PRO 103 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xax h LEU 104 N 3.16 0.00 -0.06 2.45 -0.00 -2.00 -3.14 115.31 115.72 1xax h LEU 104 Ca -0.42 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.47 1xax h LEU 104 Cb 1.33 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 1xax h LEU 104 CO 0.69 0.00 -0.18 -0.03 -0.00 0.00 0.00 178.44 178.92 1xax h MET 105 N 0.00 -0.18 -0.77 1.13 4.05 -2.00 0.90 114.93 118.06 1xax h MET 105 Ca 0.00 0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.56 1xax h MET 105 Cb 0.00 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 1xax h MET 105 CO -0.00 -0.12 0.51 0.00 0.23 0.00 0.00 176.91 177.53 1xax h ALA 106 N -1.04 1.98 0.49 0.39 0.00 -1.93 -1.85 119.26 117.30 1xax h ALA 106 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xax h ALA 106 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xax h ALA 106 CO -0.15 -0.17 -0.29 1.25 0.00 0.00 0.00 179.25 179.89 1xax h HIS 107 N 0.53 -0.75 0.29 0.00 6.17 -1.31 0.18 115.15 120.26 1xax h HIS 107 Ca 0.37 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.44 1xax h HIS 107 Cb 0.71 0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.89 1xax h HIS 107 CO -0.00 -0.44 -0.23 -1.49 0.71 0.00 0.00 177.93 176.47 1xax h TRP 108 N -0.73 -0.62 -0.86 5.26 6.55 -0.31 1.27 115.95 126.51 1xax h TRP 108 Ca -0.06 -0.00 0.16 0.00 0.95 0.00 0.00 58.89 59.94 1xax h TRP 108 Cb 0.59 0.23 -0.10 0.00 -0.86 0.00 0.00 29.16 29.03 1xax h TRP 108 CO -0.08 -0.35 0.44 0.00 -1.05 0.00 0.00 178.44 177.40 1xax h ALA 109 N 0.11 1.32 -0.16 1.49 0.00 -1.30 0.16 119.26 120.88 1xax h ALA 109 Ca -0.02 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1xax h ALA 109 Cb 0.47 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xax h ALA 109 CO -0.02 -0.11 -0.73 1.25 0.00 0.00 0.00 179.25 179.64 1xax h HIS 110 N 0.61 1.00 0.49 0.00 -0.00 -0.11 -3.10 115.15 114.03 1xax h HIS 110 Ca 0.48 -0.42 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1xax h HIS 110 Cb 0.71 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.94 1xax h HIS 110 CO -0.09 1.24 -0.46 1.98 -0.00 0.00 0.00 177.93 180.60 1xax h MET 111 N 0.52 -0.90 -0.61 5.26 -1.53 0.38 0.37 114.93 118.42 1xax h MET 111 Ca -0.04 0.06 0.12 0.00 -3.44 0.00 0.00 59.70 56.41 1xax h MET 111 Cb 1.35 0.21 -0.11 0.00 -0.55 0.00 0.00 31.60 32.49 1xax h MET 111 CO 0.15 -0.60 -0.10 -0.39 0.14 0.00 0.00 176.91 176.11 1xax h VAL 112 N -0.94 0.43 -0.18 -5.77 -1.51 -0.89 -0.33 116.25 107.05 1xax h VAL 112 Ca -0.06 -0.01 -0.11 0.00 -1.23 0.00 0.00 66.70 65.28 1xax h VAL 112 Cb 0.81 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1xax h VAL 112 CO -0.04 0.01 -0.37 1.62 -1.23 0.00 0.00 177.57 177.56 1xax h VAL 113 N 0.04 1.29 0.13 7.19 3.04 -1.43 0.17 116.25 126.68 1xax h VAL 113 Ca 0.30 -1.47 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 1xax h VAL 113 Cb 0.48 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 1xax h VAL 113 CO -0.59 0.45 -0.06 1.12 -1.01 0.00 0.00 177.57 177.48 1xax h HIS 114 N 0.34 -0.16 0.06 3.17 2.07 0.13 -2.67 115.15 118.09 1xax h HIS 114 Ca 0.04 -0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.40 1xax h HIS 114 Cb 0.80 0.05 0.02 0.00 2.57 0.00 0.00 27.41 30.85 1xax h HIS 114 CO 0.02 0.09 -0.64 0.78 -3.07 0.00 0.00 177.93 175.11 1xax h GLY 115 N -0.39 0.37 0.31 6.13 0.00 -1.22 -2.07 103.07 106.19 1xax h GLY 115 Ca -0.02 -0.76 0.17 0.00 0.00 0.00 0.00 47.33 46.72 1xax h GLY 115 CO 0.03 0.67 0.61 0.23 0.00 0.00 0.00 176.54 178.08 1xax h SER 116 N -0.28 0.72 0.00 0.19 0.87 -0.76 -0.43 113.55 113.86 1xax h SER 116 Ca -0.10 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1xax h SER 116 Cb 1.41 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1xax h SER 116 CO 0.12 0.31 -0.18 0.25 -0.53 0.00 0.00 176.83 176.81 1xax h LEU 117 N 0.73 0.00 -1.84 2.23 5.85 -1.57 -2.27 115.31 118.45 1xax h LEU 117 Ca 0.52 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.53 1xax h LEU 117 Cb 0.83 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1xax h LEU 117 CO -0.28 0.50 0.84 -0.74 -0.34 0.00 0.00 178.44 178.41 1xax h HIS 118 N -0.82 0.00 0.00 1.25 2.76 -1.33 1.20 115.15 118.21 1xax h HIS 118 Ca 0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 1xax h HIS 118 Cb 0.18 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.07 1xax h HIS 118 CO -0.08 0.00 -2.33 1.28 -1.30 0.00 0.00 177.93 175.51 1xax n LEU 119 N -3.89 0.47 -0.11 0.26 4.32 -0.18 -4.74 117.00 113.13 1xax n LEU 119 Ca 0.21 0.03 -0.24 0.00 -0.02 0.00 0.00 56.01 55.99 1xax n LEU 119 Cb 1.17 0.28 -0.08 0.00 -1.62 0.00 0.00 43.42 43.17 1xax n LEU 119 CO 0.35 0.55 -1.28 0.00 -1.22 0.00 0.00 177.39 175.78 1xax n LEU 120 N -2.85 1.74 0.00 2.23 -0.00 -0.31 -4.87 117.00 112.94 1xax n LEU 120 Ca -0.33 0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1xax n LEU 120 Cb 1.13 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1xax n LEU 120 CO 0.41 0.51 0.00 0.61 -0.00 0.00 0.00 177.39 178.92 1xax n GLY 121 N 1.65 0.78 0.59 1.47 0.00 0.40 -4.93 105.19 105.16 1xax n GLY 121 Ca -0.44 -0.73 0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.00 -0.32 1.61 4.02 -1.26 -1.98 117.16 119.23 1xax n TYR 122 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 1xax n TYR 122 Cb 0.00 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 38.92 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1xax n ASP 123 N -3.52 2.73 -3.62 7.72 -0.08 -1.26 -4.80 116.55 113.72 1xax n ASP 123 Ca 0.34 -1.79 0.00 0.00 -1.51 0.00 0.00 54.79 51.83 1xax n ASP 123 Cb 1.69 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 44.53 1xax n ASP 123 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1xax n HIS 124 N 1.99 -1.20 -0.93 -0.67 8.25 -0.84 -4.89 115.22 116.93 1xax n HIS 124 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 1xax n HIS 124 Cb 0.31 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.49 1xax n HIS 124 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1xax n ILE 125 N -1.50 0.00 0.37 1.59 -0.00 -1.26 -4.71 119.36 113.84 1xax n ILE 125 Ca 0.00 -0.32 0.09 0.00 -0.00 0.00 0.00 62.75 62.52 1xax n ILE 125 Cb 0.00 -0.18 0.14 0.00 -0.00 0.00 0.00 39.64 39.60 1xax n ILE 125 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1xax n GLU 126 N 1.21 2.01 0.00 6.28 0.28 -1.26 -2.29 120.64 126.87 1xax n GLU 126 Ca 0.00 -1.90 0.00 0.00 -0.16 0.00 0.00 57.16 55.10 1xax n GLU 126 Cb 0.60 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 32.08 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 1.08 0.00 0.00 -1.84 9.92 -1.26 -4.66 116.55 119.80 1xax n ASP 127 Ca 0.14 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1xax n ASP 127 Cb 0.49 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -2.20 0.00 -0.48 -2.24 9.92 -1.26 -4.55 116.55 115.73 1xax n ASP 128 Ca 0.00 0.03 0.43 0.00 -0.53 0.00 0.00 54.79 54.72 1xax n ASP 128 Cb 0.00 -0.25 0.73 0.00 -0.64 0.00 0.00 41.12 40.95 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1xax h GLU 129 N 0.00 0.00 0.00 -1.24 4.57 -1.83 -2.75 114.58 113.33 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 -2.72 -0.09 -0.20 2.92 0.00 -0.97 0.86 120.51 120.31 1xax n ALA 130 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.76 1xax n ALA 130 Cb 1.68 0.22 0.09 0.00 0.00 0.00 0.00 19.45 21.43 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 0.51 0.15 0.00 4.39 -1.75 0.24 114.58 118.11 1xax h GLU 131 Ca 0.00 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1xax h GLU 131 Cb 0.00 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1xax h GLU 131 CO 0.00 0.33 -0.40 0.93 -1.16 0.00 0.00 179.01 178.72 1xax h GLU 132 N 0.52 -0.59 -0.34 2.33 4.39 -1.41 0.20 114.58 119.68 1xax h GLU 132 Ca 0.28 0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.03 1xax h GLU 132 Cb 0.25 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1xax h GLU 132 CO -0.22 -0.39 0.21 0.52 -1.16 0.00 0.00 179.01 177.97 1xax h MET 133 N -0.61 0.41 -0.31 2.33 2.86 0.65 0.50 114.93 120.77 1xax h MET 133 Ca -0.01 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1xax h MET 133 Cb 0.59 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.08 1xax h MET 133 CO -0.18 0.27 -0.29 0.93 1.06 0.00 0.00 176.91 178.70 1xax h GLU 134 N 0.43 -0.25 -0.29 1.72 5.08 -0.22 0.33 114.58 121.37 1xax h GLU 134 Ca 0.13 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 1xax h GLU 134 Cb -0.02 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xax h GLU 134 CO -0.05 -0.17 -0.36 0.77 -1.00 0.00 0.00 179.01 178.20 1xax h SER 135 N -0.26 0.83 -0.56 1.42 0.02 -0.38 0.25 113.55 114.86 1xax h SER 135 Ca 0.15 -0.49 0.08 0.00 -0.84 0.00 0.00 61.79 60.69 1xax h SER 135 Cb 0.51 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.75 1xax h SER 135 CO -0.46 1.15 0.20 0.25 -1.14 0.00 0.00 176.83 176.83 1xax h LEU 136 N 0.52 0.19 0.00 5.07 7.12 0.73 0.28 115.31 129.22 1xax h LEU 136 Ca 0.04 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 1xax h LEU 136 Cb 0.95 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1xax h LEU 136 CO 0.09 0.12 -0.15 -0.08 -0.13 0.00 0.00 178.44 178.29 1xax h GLU 137 N 0.37 0.00 -1.00 1.25 4.22 -0.37 -3.07 114.58 115.98 1xax h GLU 137 Ca 0.28 0.00 0.22 0.00 0.08 0.00 0.00 59.36 59.94 1xax h GLU 137 Cb 0.33 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.47 1xax h GLU 137 CO -0.29 0.34 0.61 1.15 -2.18 0.00 0.00 179.01 178.65 1xax h THR 138 N -1.00 0.62 -0.01 0.32 2.02 -0.50 0.79 112.91 115.16 1xax h THR 138 Ca -0.02 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1xax h THR 138 Cb 0.42 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1xax h THR 138 CO -0.01 0.11 -0.04 -0.61 0.37 0.00 0.00 175.52 175.35 1xax h GLN 139 N 0.63 0.04 -0.05 6.66 4.15 -0.58 0.30 115.11 126.26 1xax h GLN 139 Ca 0.60 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.85 1xax h GLN 139 Cb 1.12 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1xax h GLN 139 CO -0.39 0.69 -0.60 0.82 -1.93 0.00 0.00 178.83 177.42 1xax h ILE 140 N -0.61 1.40 0.00 2.39 2.04 -1.32 0.41 117.51 121.83 1xax h ILE 140 Ca -0.00 -2.00 -0.02 0.00 1.00 0.00 0.00 64.86 63.84 1xax h ILE 140 Cb 0.70 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1xax h ILE 140 CO 0.01 0.58 -0.35 0.24 0.00 0.00 0.00 178.15 178.63 1xax h MET 141 N 0.11 0.00 0.00 2.37 2.86 0.51 -3.35 114.93 117.43 1xax h MET 141 Ca -0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1xax h MET 141 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1xax h MET 141 CO 0.09 0.11 -0.70 1.96 1.06 0.00 0.00 176.91 179.43 1xax h GLN 142 N -1.00 0.00 -0.83 1.72 4.20 -0.56 -3.24 115.11 115.40 1xax h GLN 142 Ca -0.02 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1xax h GLN 142 Cb 0.40 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.10 1xax h GLN 142 CO -0.01 0.25 0.17 0.41 -0.67 0.00 0.00 178.83 178.97 1xax n GLY 143 N 1.23 2.93 0.80 3.46 0.00 0.14 -4.25 105.19 109.51 1xax n GLY 143 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.03 0.47 -1.14 0.99 7.94 -1.21 -4.79 117.00 119.28 1xax n LEU 144 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1xax n LEU 144 Cb 1.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.98 1xax n LEU 144 CO 0.29 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1xax n GLY 145 N 2.02 -2.19 0.67 -3.96 0.00 -1.22 -5.11 105.19 95.39 1xax n GLY 145 Ca 0.00 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01