#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 4.64 0.01 2.46 0.11 -1.06 -0.06 120.40 126.51 1xax s VAL 4 Ca 0.00 0.40 0.04 0.00 -2.93 0.00 0.00 61.98 59.50 1xax s VAL 4 Cb 0.00 -4.33 -0.01 0.00 -1.53 0.00 0.00 36.38 30.50 1xax s VAL 4 CO 0.00 -0.74 -0.13 -0.76 -3.33 0.00 0.00 175.10 170.14 1xax s LEU 5 N 3.31 2.09 -0.09 2.54 1.02 0.16 -4.88 118.68 122.83 1xax s LEU 5 Ca 0.30 -0.33 -0.04 0.00 0.02 0.00 0.00 54.13 54.07 1xax s LEU 5 Cb -0.12 -0.64 0.04 0.00 0.02 0.00 0.00 46.19 45.49 1xax s LEU 5 CO 0.22 0.11 0.20 0.54 0.02 0.00 0.00 176.35 177.44 1xax s VAL 6 N -0.54 -0.06 -0.20 -1.59 0.11 -1.26 0.12 120.40 116.98 1xax s VAL 6 Ca 0.04 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1xax s VAL 6 Cb -0.06 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1xax s VAL 6 CO 0.00 0.07 -0.16 -1.81 -3.33 0.00 0.00 175.10 169.87 1xax s ASP 7 N 1.29 3.49 -0.09 3.54 1.01 0.66 -4.95 116.67 121.61 1xax s ASP 7 Ca -0.09 -0.86 0.02 0.00 0.71 0.00 0.00 52.55 52.32 1xax s ASP 7 Cb -0.11 -1.46 -0.02 0.00 1.01 0.00 0.00 42.92 42.34 1xax s ASP 7 CO -0.07 -0.07 -0.13 -1.48 0.21 0.00 0.00 175.17 173.63 1xax s LEU 8 N 1.26 2.75 0.02 1.23 0.05 -1.26 0.77 118.68 123.50 1xax s LEU 8 Ca 0.01 -0.25 0.01 0.00 0.05 0.00 0.00 54.13 53.94 1xax s LEU 8 Cb -0.15 -1.59 -0.02 0.00 -2.05 0.00 0.00 46.19 42.38 1xax s LEU 8 CO -0.10 0.25 -0.04 0.00 -0.55 0.00 0.00 176.35 175.91 1xax s GLN 9 N -0.18 0.35 0.25 1.48 -2.07 0.46 -4.58 119.66 115.36 1xax s GLN 9 Ca 0.00 -0.51 -0.00 0.00 -1.82 0.00 0.00 55.36 53.03 1xax s GLN 9 Cb -0.13 -0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.64 1xax s GLN 9 CO 0.03 0.01 0.44 -1.50 -1.32 0.00 0.00 175.29 172.95 1xax s ILE 10 N -1.03 5.17 -0.35 3.63 2.07 -1.26 -0.07 121.20 129.36 1xax s ILE 10 Ca -0.09 -0.41 0.15 0.00 -1.41 0.00 0.00 60.65 58.89 1xax s ILE 10 Cb -0.07 -3.77 0.41 0.00 0.13 0.00 0.00 42.46 39.15 1xax s ILE 10 CO -0.00 -0.29 0.89 0.00 -1.91 0.00 0.00 174.94 173.63 1xax n ALA 11 N -1.02 2.65 -3.77 1.50 0.00 0.55 -4.79 120.51 115.63 1xax n ALA 11 Ca -0.05 -3.09 -0.06 0.00 0.00 0.00 0.00 53.44 50.24 1xax n ALA 11 Cb 0.55 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 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 0.05 0.00 -0.09 0.00 -2.24 -1.26 -4.04 114.28 106.70 1xax n THR 12 Ca 0.14 -0.54 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 1xax n THR 12 Cb 0.76 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1xax n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xax n GLU 13 N -0.22 0.40 -4.19 -0.78 4.71 -1.26 -5.02 120.64 114.28 1xax n GLU 13 Ca -0.02 0.17 -0.19 0.00 -0.01 0.00 0.00 57.16 57.11 1xax n GLU 13 Cb 0.14 -1.18 -0.16 0.00 -1.01 0.00 0.00 31.44 29.23 1xax n GLU 13 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1xax s ASN 14 N -6.61 0.90 0.05 1.62 -0.87 -1.26 -5.15 114.94 103.62 1xax s ASN 14 Ca -0.26 -0.13 0.01 0.00 -1.57 0.00 0.00 52.86 50.92 1xax s ASN 14 Cb 0.09 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.25 40.93 1xax s ASN 14 CO 0.33 -0.02 -0.06 -0.63 -2.57 0.00 0.00 177.10 174.15 1xax s ILE 15 N 0.65 0.47 -0.76 0.60 1.09 -1.26 -5.05 121.20 116.94 1xax s ILE 15 Ca -0.09 -1.27 -0.06 0.00 -1.10 0.00 0.00 60.65 58.14 1xax s ILE 15 Cb -0.12 -0.82 -0.01 0.00 -1.06 0.00 0.00 42.46 40.45 1xax s ILE 15 CO 0.00 -0.54 2.87 -0.62 -0.10 0.00 0.00 174.94 176.55 1xax n GLU 16 N 1.09 3.11 0.00 2.79 -0.58 -1.26 -4.45 120.64 121.35 1xax n GLU 16 Ca -0.20 -2.37 0.00 0.00 -0.42 0.00 0.00 57.16 54.17 1xax n GLU 16 Cb 0.56 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xax n GLY 17 N 1.80 0.80 3.43 0.62 0.00 -1.26 -5.04 105.19 105.53 1xax n GLY 17 Ca 0.55 -0.44 -0.50 0.00 0.00 0.00 0.00 46.02 45.63 1xax n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xax n LEU 18 N 0.00 1.71 -4.55 0.99 7.99 -1.26 -4.77 117.00 117.11 1xax n LEU 18 Ca 0.00 0.34 -0.26 0.00 -0.01 0.00 0.00 56.01 56.08 1xax n LEU 18 Cb 0.00 -1.19 -0.07 0.00 -0.11 0.00 0.00 43.42 42.05 1xax n LEU 18 CO 0.00 -0.81 1.71 -0.81 -1.51 0.00 0.00 177.39 175.97 1xax n PRO 19 N 8.20 0.69 -2.34 3.23 -0.04 -1.26 -4.90 135.00 138.57 1xax n PRO 19 Ca 0.46 -0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1xax n PRO 19 Cb 0.19 -3.24 -0.03 0.00 -0.04 0.00 0.00 33.50 30.38 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 12.25 3.69 0.14 0.52 -4.23 -1.26 -4.84 115.64 121.91 1xax s THR 20 Ca 1.01 1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 62.63 1xax s THR 20 Cb -0.29 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 69.72 1xax s THR 20 CO 0.23 0.14 1.76 1.05 -0.54 0.00 0.00 174.62 177.25 1xax h GLU 21 N 6.26 0.49 -0.35 3.99 4.11 -1.91 -1.86 114.58 125.31 1xax h GLU 21 Ca -0.43 -0.05 0.07 0.00 0.07 0.00 0.00 59.36 59.03 1xax h GLU 21 Cb 1.21 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1xax h GLU 21 CO 0.80 0.38 -0.32 1.49 0.07 0.00 0.00 179.01 181.43 1xax h GLU 22 N 0.46 -0.26 0.56 1.06 4.81 -1.95 1.06 114.58 120.31 1xax h GLU 22 Ca 0.13 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1xax h GLU 22 Cb 0.02 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xax h GLU 22 CO -0.02 -0.18 -0.27 1.96 -0.73 0.00 0.00 179.01 179.77 1xax h GLN 23 N -0.27 -0.72 0.14 1.92 1.08 -1.94 0.17 115.11 115.47 1xax h GLN 23 Ca 0.16 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1xax h GLN 23 Cb 0.53 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1xax h GLN 23 CO -0.50 -0.48 -0.35 0.82 -0.95 0.00 0.00 178.83 177.37 1xax h ILE 24 N -0.77 0.00 -0.32 2.54 2.04 -1.17 0.76 117.51 120.58 1xax h ILE 24 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1xax h ILE 24 Cb 0.57 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 1xax h ILE 24 CO 0.13 0.00 -0.29 0.58 0.00 0.00 0.00 178.15 178.56 1xax h VAL 25 N -0.54 0.29 0.16 1.67 2.07 0.11 0.19 116.25 120.19 1xax h VAL 25 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1xax h VAL 25 Cb 0.52 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1xax h VAL 25 CO -0.16 0.00 -0.08 -0.61 0.02 0.00 0.00 177.57 176.74 1xax h GLN 26 N -0.26 -0.20 0.26 1.57 4.15 -0.47 0.58 115.11 120.73 1xax h GLN 26 Ca 0.16 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1xax h GLN 26 Cb 0.51 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1xax h GLN 26 CO -0.47 -0.12 -0.44 2.35 -1.93 0.00 0.00 178.83 178.22 1xax h TRP 27 N -0.23 -1.24 0.00 3.99 2.91 0.11 0.20 115.95 121.68 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 0.18 0.51 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1xax h TRP 27 CO -0.06 -0.53 0.00 0.00 -1.03 0.00 0.00 178.44 176.81 1xax n ALA 28 N -2.79 -0.03 -0.33 2.65 0.00 0.63 -3.04 120.51 117.60 1xax n ALA 28 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.51 1xax n ALA 28 Cb 0.37 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.21 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 0.67 -0.90 0.00 2.02 -0.34 0.09 112.91 114.45 1xax h THR 29 Ca 0.00 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1xax h THR 29 Cb 0.00 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.34 1xax h THR 29 CO 0.00 0.12 0.60 1.23 0.37 0.00 0.00 175.52 177.83 1xax h GLY 30 N 0.63 1.28 2.00 2.16 0.00 0.31 -1.18 103.07 108.27 1xax h GLY 30 Ca 0.56 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1xax h GLY 30 CO -0.33 0.45 -0.12 0.00 0.00 0.00 0.00 176.54 176.54 1xax h ALA 31 N 1.34 1.37 -0.01 3.60 0.00 -0.81 -1.94 119.26 122.81 1xax h ALA 31 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xax h ALA 31 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xax h ALA 31 CO -0.08 0.15 -0.28 1.55 0.00 0.00 0.00 179.25 180.59 1xax n VAL 32 N -3.77 0.00 -2.14 0.00 3.14 -0.54 -4.28 118.33 110.74 1xax n VAL 32 Ca -0.02 -0.21 -0.26 0.00 -2.96 0.00 0.00 64.34 60.88 1xax n VAL 32 Cb 0.22 0.78 0.02 0.00 -1.06 0.00 0.00 33.84 33.80 1xax n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xax n GLN 33 N -0.19 3.48 0.09 1.45 10.64 -0.65 -4.72 117.38 127.47 1xax n GLN 33 Ca 0.12 -4.22 -0.22 0.00 -1.83 0.00 0.00 57.00 50.85 1xax n GLN 33 Cb 0.41 -2.27 -0.13 0.00 -0.86 0.00 0.00 30.24 27.39 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1xax h PRO 34 N 2.33 0.62 0.00 2.61 0.13 -1.74 -3.41 132.00 132.55 1xax h PRO 34 Ca 0.36 -0.82 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1xax h PRO 34 Cb 1.24 0.27 -0.02 0.00 0.13 0.00 0.00 31.00 32.62 1xax h PRO 34 CO 0.85 1.37 -1.37 -1.91 -0.23 0.00 0.00 178.00 176.71 1xax n GLU 35 N -3.79 0.54 0.00 0.86 2.13 -1.26 -5.09 120.64 114.03 1xax n GLU 35 Ca -0.13 0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1xax n GLU 35 Cb 0.98 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 31.21 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xax n GLY 36 N 1.42 2.49 3.12 8.31 0.00 -1.26 -5.19 105.19 114.07 1xax n GLY 36 Ca -0.25 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 0.09 -3.46 1.61 4.13 -1.26 -5.03 115.26 111.34 1xax n ASN 37 Ca 0.00 -3.09 -0.12 0.00 1.68 0.00 0.00 54.58 53.06 1xax n ASN 37 Cb 0.00 1.35 -0.10 0.00 -1.54 0.00 0.00 39.78 39.49 1xax n ASN 37 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1xax s GLU 38 N -3.37 0.28 -0.24 3.52 2.02 -1.26 -2.55 118.70 117.11 1xax s GLU 38 Ca 0.31 0.56 -0.37 0.00 0.02 0.00 0.00 54.97 55.49 1xax s GLU 38 Cb 0.01 -0.47 0.16 0.00 0.10 0.00 0.00 34.13 33.94 1xax s GLU 38 CO 0.22 -0.54 1.41 0.14 0.02 0.00 0.00 175.26 176.51 1xax s VAL 39 N 2.49 0.00 -0.05 2.63 -7.23 0.91 -4.63 120.40 114.52 1xax s VAL 39 Ca 0.08 -0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.24 1xax s VAL 39 Cb -0.15 -1.30 0.03 0.00 0.56 0.00 0.00 36.38 35.52 1xax s VAL 39 CO -0.14 0.00 0.02 -0.70 -0.31 0.00 0.00 175.10 173.97 1xax s GLU 40 N -2.00 0.34 0.02 4.82 2.12 -1.25 0.35 118.70 123.11 1xax s GLU 40 Ca 0.13 0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.72 1xax s GLU 40 Cb 0.02 -0.74 -0.02 0.00 0.26 0.00 0.00 34.13 33.64 1xax s GLU 40 CO -0.04 -0.28 -0.21 -1.64 -0.54 0.00 0.00 175.26 172.56 1xax s MET 41 N 1.87 1.48 -0.08 4.30 -1.94 0.12 0.91 119.30 125.96 1xax s MET 41 Ca 0.02 -0.88 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1xax s MET 41 Cb -0.12 -1.54 0.01 0.00 2.01 0.00 0.00 34.83 35.19 1xax s MET 41 CO -0.04 0.40 -0.15 0.95 -0.01 0.00 0.00 175.02 176.18 1xax s THR 42 N -0.70 1.36 -0.05 2.05 -4.23 0.18 -0.24 115.64 114.00 1xax s THR 42 Ca 0.08 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1xax s THR 42 Cb -0.09 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1xax s THR 42 CO 0.01 0.41 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.67 1xax s VAL 43 N 0.73 1.21 -0.06 2.29 1.01 0.23 0.84 120.40 126.65 1xax s VAL 43 Ca -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1xax s VAL 43 Cb -0.16 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1xax s VAL 43 CO 0.03 0.36 -0.05 -0.60 0.00 0.00 0.00 175.10 174.84 1xax s ARG 44 N 0.27 1.03 -0.47 2.72 3.00 0.11 -0.41 118.95 125.20 1xax s ARG 44 Ca -0.07 -0.13 -0.10 0.00 -1.00 0.00 0.00 55.73 54.43 1xax s ARG 44 Cb -0.12 -1.08 0.11 0.00 0.00 0.00 0.00 34.95 33.86 1xax s ARG 44 CO 0.02 -0.14 0.35 0.42 0.00 0.00 0.00 175.30 175.95 1xax s ILE 45 N 1.24 4.33 0.03 4.11 -1.09 0.90 -0.36 121.20 130.36 1xax s ILE 45 Ca -0.05 -1.68 0.04 0.00 -2.23 0.00 0.00 60.65 56.73 1xax s ILE 45 Cb -0.14 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 1xax s ILE 45 CO -0.02 -0.74 -0.13 0.54 -1.23 0.00 0.00 174.94 173.36 1xax s VAL 46 N 1.40 1.04 1.03 2.92 0.11 0.26 0.20 120.40 127.35 1xax s VAL 46 Ca 0.05 -0.91 -0.18 0.00 -2.93 0.00 0.00 61.98 58.00 1xax s VAL 46 Cb -0.26 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1xax s VAL 46 CO 0.00 0.02 -0.27 0.47 -3.33 0.00 0.00 175.10 171.99 1xax n ASP 47 N 2.03 -2.68 0.10 3.54 8.00 -1.26 -3.83 116.55 122.45 1xax n ASP 47 Ca -0.18 -0.17 -0.04 0.00 0.71 0.00 0.00 54.79 55.11 1xax n ASP 47 Cb 0.55 -0.77 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 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 -2.01 -0.26 -0.49 -1.24 4.81 -1.98 -0.72 114.58 112.69 1xax h GLU 48 Ca -0.39 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.94 1xax h GLU 48 Cb 1.12 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1xax h GLU 48 CO 0.25 -0.17 0.09 0.00 -0.73 0.00 0.00 179.01 178.46 1xax h ALA 49 N -1.78 0.55 -1.01 2.92 0.00 -1.97 0.41 119.26 118.38 1xax h ALA 49 Ca -0.03 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xax h ALA 49 Cb 0.20 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1xax h ALA 49 CO 0.04 -0.31 0.66 1.49 0.00 0.00 0.00 179.25 181.13 1xax h GLU 50 N 0.23 1.24 0.33 0.00 4.81 -1.92 0.33 114.58 119.61 1xax h GLU 50 Ca 0.25 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1xax h GLU 50 Cb 0.33 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1xax h GLU 50 CO -0.33 0.82 -0.16 1.03 -0.73 0.00 0.00 179.01 179.65 1xax h SER 51 N 1.28 -0.38 -0.40 1.04 0.87 0.10 0.33 113.55 116.39 1xax h SER 51 Ca 0.40 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 61.09 1xax h SER 51 Cb -0.01 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1xax h SER 51 CO -0.12 -0.02 0.38 0.45 -0.53 0.00 0.00 176.83 176.99 1xax h HIS 52 N -0.94 0.00 0.14 2.24 3.86 -0.20 0.28 115.15 120.52 1xax h HIS 52 Ca -0.05 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.84 1xax h HIS 52 Cb 0.34 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1xax h HIS 52 CO 0.02 0.00 -1.64 1.49 0.86 0.00 0.00 177.93 178.65 1xax h GLU 53 N 0.00 0.29 0.81 2.45 4.57 -0.35 -3.02 114.58 119.33 1xax h GLU 53 Ca 0.19 -0.49 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 1xax h GLU 53 Cb 0.95 0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1xax h GLU 53 CO -0.00 1.16 -0.39 1.25 -1.18 0.00 0.00 179.01 179.85 1xax h LEU 54 N 0.08 -0.92 -0.14 1.64 7.12 0.29 0.28 115.31 123.65 1xax h LEU 54 Ca -0.29 0.02 0.02 0.00 0.13 0.00 0.00 57.88 57.76 1xax h LEU 54 Cb 2.05 0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 42.40 1xax h LEU 54 CO 0.16 -0.59 0.03 -0.55 -0.13 0.00 0.00 178.44 177.36 1xax h ASN 55 N -1.21 0.02 0.34 1.25 -1.07 -0.89 -2.87 115.58 111.15 1xax h ASN 55 Ca -0.11 0.02 -0.02 0.00 0.07 0.00 0.00 56.30 56.26 1xax h ASN 55 Cb 0.85 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.12 1xax h ASN 55 CO 0.18 0.03 -0.16 -0.07 0.07 0.00 0.00 177.43 177.48 1xax h LEU 56 N 0.09 -0.38 -1.75 6.14 4.07 -1.56 0.27 115.31 122.20 1xax h LEU 56 Ca 0.06 -0.06 0.10 0.00 0.08 0.00 0.00 57.88 58.06 1xax h LEU 56 Cb 0.05 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1xax h LEU 56 CO -0.08 -0.18 0.54 0.00 -1.08 0.00 0.00 178.44 177.65 1xax h THR 57 N -0.58 0.20 0.00 0.22 1.03 -0.40 0.30 112.91 113.68 1xax h THR 57 Ca -0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.24 1xax h THR 57 Cb 0.43 0.53 -0.02 0.00 -1.07 0.00 0.00 68.15 68.02 1xax h THR 57 CO 0.08 0.00 -1.68 0.00 -0.01 0.00 0.00 175.52 173.90 1xax n TYR 58 N -3.34 0.00 0.00 0.00 4.11 -1.07 -4.90 117.16 111.96 1xax n TYR 58 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 1xax n TYR 58 Cb 0.68 -0.44 0.00 0.00 -0.00 0.00 0.00 39.34 39.59 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1xax n ARG 59 N -2.20 0.00 -0.60 -3.48 -4.01 0.91 -5.07 116.66 102.21 1xax n ARG 59 Ca -0.11 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.70 1xax n ARG 59 Cb 0.63 -0.45 0.00 0.00 -3.04 0.00 0.00 32.46 29.60 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 0.63 0.57 0.00 2.89 0.00 0.01 -4.93 105.19 104.36 1xax n GLY 60 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xax n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xax n LYS 61 N -0.26 -0.27 0.00 1.61 3.00 -1.25 -4.88 118.16 116.11 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xax n LYS 61 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xax n ASP 62 N -1.78 -1.09 -4.80 3.14 2.03 -1.26 -4.81 116.55 107.98 1xax n ASP 62 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1xax n ASP 62 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1xax n ASP 62 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xax s ARG 63 N -1.64 2.22 -0.32 -0.67 1.81 -1.26 -4.88 118.95 114.21 1xax s ARG 63 Ca 0.00 -2.37 -0.03 0.00 -1.72 0.00 0.00 55.73 51.61 1xax s ARG 63 Cb 0.00 -1.61 -0.11 0.00 -0.45 0.00 0.00 34.95 32.78 1xax s ARG 63 CO 0.00 -0.44 0.76 -2.30 -0.68 0.00 0.00 175.30 172.64 1xax n PRO 64 N -1.38 0.00 -0.49 3.54 -0.02 -1.26 -4.83 135.00 130.56 1xax n PRO 64 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1xax n PRO 64 Cb 0.67 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 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 2.08 0.00 0.00 3.45 5.66 -1.26 -5.08 114.28 119.13 1xax n THR 65 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 1xax n THR 65 Cb 0.08 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 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 -1.69 2.68 -3.20 1.09 5.15 -1.26 -4.93 115.26 113.11 1xax n ASN 66 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1xax n ASN 66 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1xax n ASN 66 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1xax n VAL 67 N -2.34 -0.51 -2.76 3.44 0.24 -1.26 -4.53 118.33 110.60 1xax n VAL 67 Ca 0.00 -4.10 -0.41 0.00 -2.04 0.00 0.00 64.34 57.79 1xax n VAL 67 Cb 0.38 -1.89 -0.04 0.00 -1.47 0.00 0.00 33.84 30.82 1xax n VAL 67 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xax s LEU 68 N -1.31 4.47 0.22 1.34 2.96 -1.22 -4.79 118.68 120.36 1xax s LEU 68 Ca 0.36 1.72 0.02 0.00 -0.22 0.00 0.00 54.13 56.00 1xax s LEU 68 Cb 0.18 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 1xax s LEU 68 CO -0.10 -0.08 0.05 -0.44 -1.32 0.00 0.00 176.35 174.46 1xax s SER 69 N 0.13 1.24 -0.49 3.68 0.01 -1.26 -0.02 113.70 116.97 1xax s SER 69 Ca 0.46 -1.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.41 1xax s SER 69 Cb -0.23 0.14 0.13 0.00 0.21 0.00 0.00 66.02 66.27 1xax s SER 69 CO 0.29 -0.65 0.29 -0.36 0.41 0.00 0.00 173.24 173.22 1xax s PHE 70 N -3.70 3.51 0.32 2.43 0.08 0.11 -4.83 117.98 115.90 1xax s PHE 70 Ca 0.32 -2.55 -0.27 0.00 0.12 0.00 0.00 56.93 54.54 1xax s PHE 70 Cb 0.07 -3.21 -0.09 0.00 -0.57 0.00 0.00 43.02 39.22 1xax s PHE 70 CO 0.09 -0.92 1.01 -1.25 -0.10 0.00 0.00 175.22 174.06 1xax s PRO 71 N 0.64 4.53 1.16 0.24 0.04 -1.26 -0.24 135.00 140.11 1xax s PRO 71 Ca 0.12 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1xax s PRO 71 Cb -0.22 -2.91 0.28 0.00 0.04 0.00 0.00 34.50 31.69 1xax s PRO 71 CO -0.04 0.19 1.17 -0.59 0.04 0.00 0.00 177.00 177.77 1xax s PHE 72 N -1.44 0.59 0.35 0.56 -0.71 -1.26 -4.93 117.98 111.14 1xax s PHE 72 Ca 0.49 0.39 -0.25 0.00 -1.04 0.00 0.00 56.93 56.52 1xax s PHE 72 Cb -0.24 -3.67 -0.13 0.00 -1.21 0.00 0.00 43.02 37.76 1xax s PHE 72 CO 0.30 -3.66 0.75 0.39 -1.34 0.00 0.00 175.22 171.66 1xax n GLU 73 N -4.56 0.84 -3.22 1.99 1.02 -1.26 -4.93 120.64 110.52 1xax n GLU 73 Ca 0.15 0.30 -0.30 0.00 -0.02 0.00 0.00 57.16 57.29 1xax n GLU 73 Cb 0.60 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xax n PRO 75 N 0.63 0.49 0.00 0.00 -0.04 -1.26 -4.99 135.00 129.83 1xax n PRO 75 Ca 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1xax n PRO 75 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.97 0.00 0.00 3.54 9.92 -1.26 -4.81 116.55 122.97 1xax n ASP 76 Ca 0.00 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1xax n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xax n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1xax n GLU 77 N -0.60 0.00 -3.03 -1.24 1.02 -1.26 -4.98 120.64 110.55 1xax n GLU 77 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1xax n GLU 77 Cb 0.00 -0.56 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1xax n VAL 78 N -2.25 -3.48 -2.37 2.62 0.24 -1.26 -4.75 118.33 107.08 1xax n VAL 78 Ca 0.00 0.61 -0.39 0.00 -2.04 0.00 0.00 64.34 62.52 1xax n VAL 78 Cb 0.24 -3.44 -0.03 0.00 -1.47 0.00 0.00 33.84 29.14 1xax n VAL 78 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xax s GLU 79 N -0.50 3.06 -0.18 7.34 8.01 -1.26 -4.92 118.70 130.26 1xax s GLU 79 Ca -0.03 -0.21 -0.28 0.00 0.01 0.00 0.00 54.97 54.45 1xax s GLU 79 Cb 0.00 -4.57 0.10 0.00 -4.31 0.00 0.00 34.13 25.35 1xax s GLU 79 CO 0.15 -2.44 0.85 -0.48 0.01 0.00 0.00 175.26 173.35 1xax s LEU 80 N 6.90 -0.55 0.11 1.80 2.34 -1.26 -4.96 118.68 123.06 1xax s LEU 80 Ca 0.49 0.81 -0.30 0.00 0.06 0.00 0.00 54.13 55.19 1xax s LEU 80 Cb -0.07 2.20 -0.06 0.00 -0.56 0.00 0.00 46.19 47.69 1xax s LEU 80 CO 0.10 -0.36 1.04 -2.16 -1.06 0.00 0.00 176.35 173.90 1xax s PRO 81 N -0.54 4.61 -0.15 1.48 0.04 -1.26 -4.45 135.00 134.74 1xax s PRO 81 Ca -0.03 1.57 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 1xax s PRO 81 Cb -0.02 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 31.30 1xax s PRO 81 CO 0.02 0.07 1.24 -0.48 0.04 0.00 0.00 177.00 177.89 1xax s LEU 82 N 0.17 -0.11 0.00 -3.56 -0.00 -1.26 -4.38 118.68 109.54 1xax s LEU 82 Ca 0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 54.13 54.59 1xax s LEU 82 Cb -0.26 1.37 0.00 0.00 -0.00 0.00 0.00 46.19 47.31 1xax s LEU 82 CO 0.31 -0.24 0.00 -0.11 -0.00 0.00 0.00 176.35 176.31 1xax n LEU 83 N -0.19 1.52 0.00 1.48 -0.00 0.26 -4.67 117.00 115.39 1xax n LEU 83 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1xax n LEU 83 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1xax n LEU 83 CO 0.10 0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1xax n GLY 84 N 2.76 -1.18 3.83 -3.96 0.00 -1.13 -4.85 105.19 100.67 1xax n GLY 84 Ca 0.00 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.87 5.63 0.06 1.61 -1.08 0.67 0.47 116.67 121.16 1xax s ASP 85 Ca 0.00 -0.17 0.04 0.00 -0.52 0.00 0.00 52.55 51.90 1xax s ASP 85 Cb 0.00 -1.48 -0.03 0.00 -1.46 0.00 0.00 42.92 39.95 1xax s ASP 85 CO 0.00 -0.01 -0.11 -0.76 0.52 0.00 0.00 175.17 174.81 1xax s LEU 86 N -3.61 2.29 -0.40 -1.34 1.43 0.25 0.09 118.68 117.37 1xax s LEU 86 Ca 0.32 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1xax s LEU 86 Cb -0.09 -0.35 0.16 0.00 0.03 0.00 0.00 46.19 45.95 1xax s LEU 86 CO 0.25 -0.15 0.34 -0.69 0.23 0.00 0.00 176.35 176.33 1xax s VAL 87 N -1.50 0.16 0.31 -1.59 1.01 0.97 0.05 120.40 119.81 1xax s VAL 87 Ca -0.04 -2.25 0.07 0.00 0.00 0.00 0.00 61.98 59.77 1xax s VAL 87 Cb -0.09 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1xax s VAL 87 CO 0.01 -1.07 0.26 -0.63 0.00 0.00 0.00 175.10 173.67 1xax s ILE 88 N 0.40 3.81 0.12 2.22 1.09 0.52 -3.39 121.20 125.98 1xax s ILE 88 Ca 0.29 -1.39 -0.04 0.00 -1.10 0.00 0.00 60.65 58.40 1xax s ILE 88 Cb -0.03 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 38.07 1xax s ILE 88 CO -0.14 -0.23 0.34 0.00 -0.10 0.00 0.00 174.94 174.81 1xax n ARG 90 N 0.14 0.91 -0.03 0.00 0.00 -1.26 -3.93 116.66 112.48 1xax n ARG 90 Ca -0.03 -0.34 -0.15 0.00 -0.00 0.00 0.00 57.85 57.33 1xax n ARG 90 Cb 0.52 -1.49 -0.14 0.00 0.00 0.00 0.00 32.46 31.34 1xax n ARG 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1xax n GLN 91 N -0.75 0.69 0.00 -0.14 6.02 -1.26 -3.72 117.38 118.22 1xax n GLN 91 Ca 0.17 0.23 -0.02 0.00 -0.01 0.00 0.00 57.00 57.37 1xax n GLN 91 Cb 0.27 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 29.83 1xax n GLN 91 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1xax h VAL 92 N 0.03 0.00 -0.74 5.09 -1.51 -1.95 -2.86 116.25 114.30 1xax h VAL 92 Ca -0.41 -0.77 -0.04 0.00 -1.23 0.00 0.00 66.70 64.25 1xax h VAL 92 Cb 2.03 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 1xax h VAL 92 CO 0.06 0.00 0.32 -0.37 -1.23 0.00 0.00 177.57 176.35 1xax h VAL 93 N -0.87 1.24 -0.43 7.19 -1.51 -1.83 0.24 116.25 120.29 1xax h VAL 93 Ca -0.01 -0.73 -0.04 0.00 -1.23 0.00 0.00 66.70 64.69 1xax h VAL 93 Cb 0.08 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 29.55 1xax h VAL 93 CO 0.02 0.30 0.10 -0.08 -1.23 0.00 0.00 177.57 176.68 1xax h GLU 94 N 1.07 0.64 -0.18 5.19 4.81 -1.73 0.33 114.58 124.70 1xax h GLU 94 Ca 0.25 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1xax h GLU 94 Cb 0.16 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1xax h GLU 94 CO -0.03 0.59 -0.28 -0.09 -0.73 0.00 0.00 179.01 178.47 1xax h ARG 95 N 0.62 0.51 -0.72 1.92 2.43 -1.10 0.33 114.38 118.37 1xax h ARG 95 Ca 0.14 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 1xax h ARG 95 Cb 0.24 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1xax h ARG 95 CO -0.00 0.90 0.27 1.49 -1.51 0.00 0.00 179.97 181.12 1xax h GLU 96 N 0.16 1.08 0.15 0.20 4.81 -0.51 0.30 114.58 120.77 1xax h GLU 96 Ca 0.02 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1xax h GLU 96 Cb 0.86 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1xax h GLU 96 CO 0.06 0.88 -0.07 0.00 -0.73 0.00 0.00 179.01 179.15 1xax h ALA 97 N 1.25 -0.21 -0.33 2.92 0.00 -0.27 0.29 119.26 122.91 1xax h ALA 97 Ca 0.24 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xax h ALA 97 Cb 0.22 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xax h ALA 97 CO -0.02 -0.33 0.22 1.03 0.00 0.00 0.00 179.25 180.15 1xax h SER 98 N -0.78 0.31 0.82 0.00 0.87 -0.27 -1.23 113.55 113.28 1xax h SER 98 Ca -0.02 -0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.29 1xax h SER 98 Cb 0.53 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1xax h SER 98 CO 0.03 0.22 -1.14 -0.08 -0.53 0.00 0.00 176.83 175.34 1xax h GLU 99 N 0.37 0.11 0.00 2.24 4.57 -0.39 -3.20 114.58 118.27 1xax h GLU 99 Ca 0.13 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1xax h GLU 99 Cb 0.07 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1xax h GLU 99 CO -0.03 1.07 0.00 1.96 -1.18 0.00 0.00 179.01 180.83 1xax h GLN 100 N 0.03 0.00 -2.20 1.92 1.08 0.73 -3.46 115.11 113.21 1xax h GLN 100 Ca -0.08 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.92 1xax h GLN 100 Cb 1.86 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 29.31 1xax h GLN 100 CO 0.16 0.00 -0.29 0.39 -0.95 0.00 0.00 178.83 178.13 1xax n GLU 101 N -2.77 -2.00 -4.35 1.46 4.71 -0.77 -5.03 120.64 111.88 1xax n GLU 101 Ca 0.01 0.47 -0.20 0.00 -0.01 0.00 0.00 57.16 57.43 1xax n GLU 101 Cb 0.25 -4.44 -0.13 0.00 -1.01 0.00 0.00 31.44 26.11 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1xax s LYS 102 N -4.94 0.91 0.39 3.49 3.01 -1.19 -5.09 119.74 116.31 1xax s LYS 102 Ca 0.11 -0.71 -0.26 0.00 -1.01 0.00 0.00 55.97 54.10 1xax s LYS 102 Cb -0.05 -0.90 -0.11 0.00 -1.01 0.00 0.00 37.83 35.76 1xax s LYS 102 CO 0.13 0.22 1.11 -2.30 0.51 0.00 0.00 175.35 175.03 1xax n PRO 103 N 1.99 1.60 0.29 -1.68 -0.02 -1.26 -4.62 135.00 131.30 1xax n PRO 103 Ca -0.18 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.07 1xax n PRO 103 Cb 0.55 -2.13 0.99 0.00 -0.02 0.00 0.00 33.50 32.89 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 1.89 0.00 0.00 2.45 3.38 -1.99 -3.23 115.31 117.81 1xax h LEU 104 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xax h LEU 104 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1xax h LEU 104 CO 0.59 0.00 0.00 0.23 0.09 0.00 0.00 178.44 179.35 1xax n MET 105 N -2.90 0.00 -0.35 1.13 2.81 -1.26 -0.12 117.12 116.43 1xax n MET 105 Ca -0.02 0.68 0.01 0.00 -1.81 0.00 0.00 57.70 56.56 1xax n MET 105 Cb 0.11 -1.34 0.16 0.00 -0.71 0.00 0.00 33.22 31.45 1xax n MET 105 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xax h ALA 106 N -1.54 1.37 -0.45 3.04 0.00 -1.96 -2.58 119.26 117.15 1xax h ALA 106 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1xax h ALA 106 Cb 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 17.79 17.35 1xax h ALA 106 CO 0.00 0.53 -0.28 1.25 0.00 0.00 0.00 179.25 180.75 1xax h HIS 107 N 1.22 -0.76 -0.08 0.00 6.17 -1.44 0.66 115.15 120.93 1xax h HIS 107 Ca 0.39 0.06 0.02 0.00 0.71 0.00 0.00 60.37 61.55 1xax h HIS 107 Cb 0.01 0.40 -0.02 0.00 2.52 0.00 0.00 27.41 30.32 1xax h HIS 107 CO -0.00 -0.35 -0.06 -1.49 0.71 0.00 0.00 177.93 176.74 1xax h TRP 108 N -0.19 -0.14 -0.77 5.26 6.55 -0.12 1.39 115.95 127.94 1xax h TRP 108 Ca 0.20 0.01 0.17 0.00 0.95 0.00 0.00 58.89 60.22 1xax h TRP 108 Cb 0.51 0.07 -0.11 0.00 -0.86 0.00 0.00 29.16 28.78 1xax h TRP 108 CO -0.53 -0.09 0.25 0.00 -1.05 0.00 0.00 178.44 177.02 1xax h ALA 109 N 1.01 1.06 0.01 1.49 0.00 -1.02 0.40 119.26 122.21 1xax h ALA 109 Ca 0.05 0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1xax h ALA 109 Cb 0.14 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xax h ALA 109 CO -0.12 -0.31 -0.90 1.25 0.00 0.00 0.00 179.25 179.17 1xax h HIS 110 N 0.34 0.17 -0.59 0.00 -0.00 -0.22 -2.92 115.15 111.93 1xax h HIS 110 Ca 0.44 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.70 1xax h HIS 110 Cb 0.75 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1xax h HIS 110 CO -0.22 0.95 0.32 1.98 -0.00 0.00 0.00 177.93 180.96 1xax h MET 111 N 0.06 0.81 0.08 5.26 -1.53 0.57 0.33 114.93 120.50 1xax h MET 111 Ca -0.03 -0.08 -0.21 0.00 -3.44 0.00 0.00 59.70 55.93 1xax h MET 111 Cb 1.56 -0.17 0.02 0.00 -0.55 0.00 0.00 31.60 32.46 1xax h MET 111 CO 0.13 0.60 -0.88 -0.39 0.14 0.00 0.00 176.91 176.51 1xax h VAL 112 N 0.82 1.40 -0.09 -5.77 -1.51 -0.43 -2.85 116.25 107.81 1xax h VAL 112 Ca 0.21 -2.33 -0.12 0.00 -1.23 0.00 0.00 66.70 63.23 1xax h VAL 112 Cb 0.02 2.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1xax h VAL 112 CO -0.03 0.68 -0.40 -0.37 -1.23 0.00 0.00 177.57 176.22 1xax h VAL 113 N -0.04 1.39 -0.30 7.19 -1.51 -1.32 0.20 116.25 121.86 1xax h VAL 113 Ca -0.13 -1.75 -0.05 0.00 -1.23 0.00 0.00 66.70 63.53 1xax h VAL 113 Cb 1.61 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 32.99 1xax h VAL 113 CO 0.17 0.52 -0.04 1.12 -1.23 0.00 0.00 177.57 178.11 1xax h HIS 114 N -0.01 0.49 0.00 5.19 2.07 -0.50 -1.60 115.15 120.80 1xax h HIS 114 Ca -0.02 -0.05 -0.05 0.00 -2.85 0.00 0.00 60.37 57.39 1xax h HIS 114 Cb 1.04 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.87 1xax h HIS 114 CO 0.12 0.52 -1.01 0.78 -3.07 0.00 0.00 177.93 175.26 1xax h GLY 115 N 0.83 0.00 1.05 6.13 0.00 -1.52 -2.85 103.07 106.71 1xax h GLY 115 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.18 1xax h GLY 115 CO 0.01 0.00 -1.02 1.76 0.00 0.00 0.00 176.54 177.29 1xax h SER 116 N 0.00 0.75 0.00 0.19 0.02 -0.28 -3.18 113.55 111.06 1xax h SER 116 Ca -0.05 -0.82 -0.05 0.00 -0.84 0.00 0.00 61.79 60.04 1xax h SER 116 Cb 1.18 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1xax h SER 116 CO 0.02 1.49 -0.35 0.25 -1.14 0.00 0.00 176.83 177.10 1xax h LEU 117 N 0.11 0.00 -2.00 5.07 6.46 -1.46 -3.13 115.31 120.37 1xax h LEU 117 Ca -0.15 -0.41 0.02 0.00 -0.12 0.00 0.00 57.88 57.21 1xax h LEU 117 Cb 1.72 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1xax h LEU 117 CO 0.20 0.90 0.35 -0.74 -0.62 0.00 0.00 178.44 178.53 1xax h HIS 118 N -1.00 0.00 0.00 1.25 2.76 -1.70 0.98 115.15 117.45 1xax h HIS 118 Ca -0.07 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.79 1xax h HIS 118 Cb 0.67 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.58 1xax h HIS 118 CO 0.07 0.00 -1.83 -0.11 -1.30 0.00 0.00 177.93 174.75 1xax n LEU 119 N -3.01 0.74 0.00 0.26 -0.00 -1.20 -4.83 117.00 108.96 1xax n LEU 119 Ca -0.01 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 1xax n LEU 119 Cb 0.41 0.21 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1xax n LEU 119 CO 0.15 0.41 0.00 0.00 -0.00 0.00 0.00 177.39 177.96 1xax n LEU 120 N -3.00 0.00 -0.84 -1.96 -0.00 -0.04 -4.98 117.00 106.18 1xax n LEU 120 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1xax n LEU 120 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.49 1xax n LEU 120 CO 0.45 -0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.44 1xax n GLY 121 N 1.17 0.24 0.30 1.47 0.00 0.32 -4.93 105.19 103.76 1xax n GLY 121 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1xax n GLY 121 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xax n TYR 122 N -0.58 0.00 -0.43 1.61 4.11 -1.26 -3.40 117.16 117.21 1xax n TYR 122 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 1xax n TYR 122 Cb 0.28 -0.04 0.30 0.00 -0.00 0.00 0.00 39.34 39.88 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1xax n ASP 123 N -0.09 4.52 -3.68 9.48 -0.08 -1.26 -4.86 116.55 120.58 1xax n ASP 123 Ca 0.00 -2.72 -0.30 0.00 -1.51 0.00 0.00 54.79 50.26 1xax n ASP 123 Cb 0.10 -0.65 0.24 0.00 2.34 0.00 0.00 41.12 43.15 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 0.41 -3.94 -1.57 -0.67 1.44 -1.22 -4.70 115.22 104.98 1xax n HIS 124 Ca 0.22 -1.06 0.00 0.00 -2.01 0.00 0.00 57.72 54.87 1xax n HIS 124 Cb 0.99 -1.11 0.00 0.00 0.12 0.00 0.00 29.99 29.98 1xax n HIS 124 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1xax n ILE 125 N -4.54 -4.23 0.43 0.61 5.41 -1.26 -3.28 119.36 112.50 1xax n ILE 125 Ca 0.16 1.98 0.05 0.00 1.00 0.00 0.00 62.75 65.93 1xax n ILE 125 Cb 0.59 -2.90 -0.01 0.00 -0.71 0.00 0.00 39.64 36.61 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 -1.64 2.30 -0.00 0.38 0.28 -1.26 -2.80 120.64 117.89 1xax n GLU 126 Ca 0.00 -0.53 -0.00 0.00 -0.16 0.00 0.00 57.16 56.47 1xax n GLU 126 Cb 0.21 -1.06 -0.00 0.00 1.43 0.00 0.00 31.44 32.02 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 0.97 0.00 0.00 -1.84 3.32 -1.98 -3.43 116.42 113.46 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xax h ASP 127 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xax h ASP 127 CO 0.00 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 178.01 1xax n ASP 128 N -2.31 0.00 -0.62 6.45 9.92 -1.26 -4.46 116.55 124.26 1xax n ASP 128 Ca -0.00 0.00 0.49 0.00 -0.53 0.00 0.00 54.79 54.75 1xax n ASP 128 Cb 0.01 0.00 0.78 0.00 -0.64 0.00 0.00 41.12 41.26 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 -1.80 -1.22 114.58 114.90 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 -2.78 -0.17 -0.22 2.92 0.00 -1.12 0.11 120.51 119.25 1xax n ALA 130 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.85 1xax n ALA 130 Cb 1.86 0.08 0.10 0.00 0.00 0.00 0.00 19.45 21.48 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 0.63 0.44 0.00 4.39 -1.63 0.22 114.58 118.63 1xax h GLU 131 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1xax h GLU 131 Cb 0.00 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1xax h GLU 131 CO 0.00 0.42 -0.43 0.93 -1.16 0.00 0.00 179.01 178.77 1xax h GLU 132 N 0.65 -0.85 -0.32 2.33 3.07 -1.24 0.27 114.58 118.49 1xax h GLU 132 Ca 0.30 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1xax h GLU 132 Cb 0.20 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1xax h GLU 132 CO -0.19 -0.57 0.17 1.98 -1.40 0.00 0.00 179.01 179.01 1xax h MET 133 N -0.88 0.35 0.40 2.33 4.05 0.11 0.87 114.93 122.16 1xax h MET 133 Ca -0.04 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1xax h MET 133 Cb 0.77 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 1xax h MET 133 CO -0.06 0.23 -0.43 0.93 0.23 0.00 0.00 176.91 177.82 1xax h GLU 134 N 0.36 -0.80 -0.41 0.39 5.08 -0.34 0.40 114.58 119.26 1xax h GLU 134 Ca 0.13 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1xax h GLU 134 Cb 0.02 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1xax h GLU 134 CO -0.08 -0.53 0.24 0.77 -1.00 0.00 0.00 179.01 178.41 1xax h SER 135 N -0.83 0.51 0.45 1.42 0.02 -0.38 0.21 113.55 114.94 1xax h SER 135 Ca -0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1xax h SER 135 Cb 0.73 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1xax h SER 135 CO -0.06 0.43 -0.49 0.25 -1.14 0.00 0.00 176.83 175.82 1xax h LEU 136 N 0.54 -1.36 0.16 5.07 7.12 0.95 0.35 115.31 128.15 1xax h LEU 136 Ca 0.15 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.26 1xax h LEU 136 Cb 0.03 0.45 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1xax h LEU 136 CO -0.03 -0.63 -0.08 -0.08 -0.13 0.00 0.00 178.44 177.49 1xax h GLU 137 N -0.94 -0.21 -0.42 1.25 4.22 -0.16 -1.26 114.58 117.06 1xax h GLU 137 Ca -0.06 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.52 1xax h GLU 137 Cb 0.83 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1xax h GLU 137 CO -0.08 -0.14 0.33 1.15 -2.18 0.00 0.00 179.01 178.08 1xax h THR 138 N -0.22 0.68 0.08 0.32 2.02 -0.47 0.26 112.91 115.58 1xax h THR 138 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1xax h THR 138 Cb 0.17 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1xax h THR 138 CO 0.03 0.00 -0.04 -0.61 0.37 0.00 0.00 175.52 175.28 1xax h GLN 139 N 0.00 -0.10 -0.03 6.66 4.15 0.46 0.31 115.11 126.56 1xax h GLN 139 Ca 0.20 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 1xax h GLN 139 Cb 0.85 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 1xax h GLN 139 CO -0.00 0.37 -0.23 0.82 -1.93 0.00 0.00 178.83 177.86 1xax h ILE 140 N -0.95 1.18 0.00 2.39 2.04 -0.87 0.83 117.51 122.13 1xax h ILE 140 Ca -0.01 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1xax h ILE 140 Cb 0.52 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1xax h ILE 140 CO 0.02 0.24 -0.25 0.24 0.00 0.00 0.00 178.15 178.40 1xax h MET 141 N 0.04 0.00 0.00 2.37 2.86 -0.58 -3.39 114.93 116.22 1xax h MET 141 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xax h MET 141 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1xax h MET 141 CO 0.03 0.00 0.00 0.37 1.06 0.00 0.00 176.91 178.37 1xax h GLN 142 N -0.85 0.00 -0.90 1.72 4.15 -0.45 -2.97 115.11 115.80 1xax h GLN 142 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1xax h GLN 142 Cb 0.25 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1xax h GLN 142 CO 0.00 0.00 0.10 0.41 -1.93 0.00 0.00 178.83 177.41 1xax n GLY 143 N 0.62 2.41 0.58 2.39 0.00 0.29 -4.21 105.19 107.26 1xax n GLY 143 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1xax n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xax n LEU 144 N 0.10 0.00 -1.05 0.99 4.32 -1.21 -4.91 117.00 115.24 1xax n LEU 144 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1xax n LEU 144 Cb 0.74 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.62 1xax n LEU 144 CO 0.16 -0.14 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 1xax n GLY 145 N -0.10 -1.10 0.00 -0.72 0.00 -1.13 -5.15 105.19 96.99 1xax n GLY 145 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01