#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 4.18 -0.27 -3.33 0.11 0.12 -0.05 120.40 121.16 1xax s VAL 4 Ca 0.00 -0.44 -0.22 0.00 -2.93 0.00 0.00 61.98 58.38 1xax s VAL 4 Cb 0.00 -4.82 -0.01 0.00 -1.53 0.00 0.00 36.38 30.02 1xax s VAL 4 CO 0.00 -1.65 0.73 -0.22 -3.33 0.00 0.00 175.10 170.63 1xax s LEU 5 N 4.39 4.08 0.27 2.54 2.96 0.12 -4.86 118.68 128.17 1xax s LEU 5 Ca 0.31 0.77 0.06 0.00 -0.22 0.00 0.00 54.13 55.05 1xax s LEU 5 Cb -0.10 -3.01 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 1xax s LEU 5 CO 0.05 -0.49 -0.06 0.68 -1.32 0.00 0.00 176.35 175.22 1xax s VAL 6 N 2.73 1.56 -0.17 1.68 -7.23 -1.26 0.00 120.40 117.71 1xax s VAL 6 Ca 0.30 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 1xax s VAL 6 Cb -0.15 -2.41 0.06 0.00 0.56 0.00 0.00 36.38 34.44 1xax s VAL 6 CO 0.09 -0.32 0.43 -0.62 -0.31 0.00 0.00 175.10 174.37 1xax s ASP 7 N -3.42 -0.53 -0.67 4.85 2.15 0.31 -4.93 116.67 114.43 1xax s ASP 7 Ca 0.29 0.92 0.02 0.00 0.43 0.00 0.00 52.55 54.21 1xax s ASP 7 Cb 0.04 0.83 0.17 0.00 -0.30 0.00 0.00 42.92 43.66 1xax s ASP 7 CO 0.11 -0.19 0.47 -1.48 -0.17 0.00 0.00 175.17 173.92 1xax s LEU 8 N 1.13 4.92 -0.11 -1.34 -0.00 -1.25 0.14 118.68 122.17 1xax s LEU 8 Ca -0.07 -3.36 -0.21 0.00 -0.00 0.00 0.00 54.13 50.48 1xax s LEU 8 Cb -0.07 -1.74 -0.04 0.00 -0.00 0.00 0.00 46.19 44.34 1xax s LEU 8 CO -0.10 -0.21 0.63 -1.58 -0.00 0.00 0.00 176.35 175.09 1xax s GLN 9 N -0.78 4.36 -0.16 1.48 0.74 0.72 -4.96 119.66 121.06 1xax s GLN 9 Ca 0.21 0.71 -0.03 0.00 0.05 0.00 0.00 55.36 56.31 1xax s GLN 9 Cb -0.15 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.47 1xax s GLN 9 CO -0.08 0.02 -0.07 -1.50 -0.55 0.00 0.00 175.29 173.11 1xax s ILE 10 N 1.01 3.51 -0.88 -2.34 -1.16 -1.26 0.56 121.20 120.64 1xax s ILE 10 Ca 0.33 -0.49 0.00 0.00 -0.51 0.00 0.00 60.65 59.98 1xax s ILE 10 Cb -0.17 -2.53 0.33 0.00 0.61 0.00 0.00 42.46 40.71 1xax s ILE 10 CO 0.14 0.49 1.63 0.00 -2.81 0.00 0.00 174.94 174.40 1xax n ALA 11 N 3.76 5.80 -2.65 1.50 0.00 0.11 -4.95 120.51 124.08 1xax n ALA 11 Ca -0.18 -4.54 -0.20 0.00 0.00 0.00 0.00 53.44 48.52 1xax n ALA 11 Cb 0.52 -1.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 1xax n ALA 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xax s THR 12 N -4.55 1.25 0.08 0.00 -4.23 -1.26 -4.64 115.64 102.30 1xax s THR 12 Ca 0.44 -1.26 -0.27 0.00 -1.18 0.00 0.00 61.69 59.41 1xax s THR 12 Cb 0.26 -1.16 -0.17 0.00 1.34 0.00 0.00 72.50 72.77 1xax s THR 12 CO -0.18 -0.11 1.69 -0.08 -0.54 0.00 0.00 174.62 175.40 1xax h GLU 13 N 4.46 -0.39 0.00 3.99 4.57 -2.02 -3.45 114.58 121.74 1xax h GLU 13 Ca -0.41 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1xax h GLU 13 Cb 1.18 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1xax h GLU 13 CO 0.41 -0.26 0.00 0.09 -1.18 0.00 0.00 179.01 178.07 1xax n ASN 14 N -5.27 0.35 -4.25 1.04 3.02 -1.26 -5.11 115.26 103.78 1xax n ASN 14 Ca -0.10 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.12 1xax n ASN 14 Cb 0.18 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.20 1xax n ASN 14 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xax s ILE 15 N 1.91 2.68 -0.28 2.41 1.01 -1.26 -4.96 121.20 122.71 1xax s ILE 15 Ca 0.00 -0.75 0.21 0.00 0.00 0.00 0.00 60.65 60.11 1xax s ILE 15 Cb 0.00 -2.15 0.49 0.00 0.01 0.00 0.00 42.46 40.81 1xax s ILE 15 CO 0.00 0.51 1.05 -1.84 0.00 0.00 0.00 174.94 174.65 1xax n GLU 16 N 4.24 1.50 0.00 2.79 0.00 -1.26 -4.90 120.64 123.01 1xax n GLU 16 Ca -0.19 -3.41 0.00 0.00 0.00 0.00 0.00 57.16 53.56 1xax n GLU 16 Cb 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xax n GLY 17 N -0.39 2.53 3.50 -1.84 0.00 -1.26 -4.93 105.19 102.80 1xax n GLY 17 Ca 0.08 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1xax n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xax n LEU 18 N 0.00 -0.14 0.00 0.99 7.94 -1.26 -4.87 117.00 119.66 1xax n LEU 18 Ca 0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1xax n LEU 18 Cb 0.00 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1xax n LEU 18 CO 0.00 -0.97 0.00 -0.81 -1.11 0.00 0.00 177.39 174.50 1xax n PRO 19 N 7.67 2.77 -2.99 1.96 -0.04 -1.26 -4.99 135.00 138.13 1xax n PRO 19 Ca 0.66 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.71 1xax n PRO 19 Cb 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.49 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 1.85 5.00 0.14 0.52 -4.23 -1.26 -4.97 115.64 112.70 1xax s THR 20 Ca 0.00 1.53 -0.17 0.00 -1.18 0.00 0.00 61.69 61.87 1xax s THR 20 Cb 0.00 -4.08 -0.00 0.00 1.34 0.00 0.00 72.50 69.75 1xax s THR 20 CO 0.00 0.20 1.77 1.05 -0.54 0.00 0.00 174.62 177.10 1xax h GLU 21 N 6.89 0.51 -0.29 3.99 4.11 -1.98 -1.55 114.58 126.26 1xax h GLU 21 Ca -0.39 -0.05 0.07 0.00 0.07 0.00 0.00 59.36 59.06 1xax h GLU 21 Cb 1.19 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1xax h GLU 21 CO 0.77 0.39 -0.31 0.93 0.07 0.00 0.00 179.01 180.86 1xax h GLU 22 N 0.48 -0.28 0.51 1.06 4.39 -1.97 1.05 114.58 119.82 1xax h GLU 22 Ca 0.13 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1xax h GLU 22 Cb 0.01 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1xax h GLU 22 CO -0.02 -0.19 -0.26 0.37 -1.16 0.00 0.00 179.01 177.75 1xax h GLN 23 N -0.29 -0.68 0.14 2.33 4.15 -1.94 0.13 115.11 118.95 1xax h GLN 23 Ca 0.14 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1xax h GLN 23 Cb 0.52 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1xax h GLN 23 CO -0.45 -0.45 -0.24 0.82 -1.93 0.00 0.00 178.83 176.57 1xax h ILE 24 N -0.70 0.00 -0.44 2.39 1.08 -1.11 0.92 117.51 119.64 1xax h ILE 24 Ca -0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 1xax h ILE 24 Cb 0.55 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.20 1xax h ILE 24 CO 0.10 0.00 -0.44 0.58 -0.69 0.00 0.00 178.15 177.70 1xax h VAL 25 N -0.41 0.10 0.16 1.67 2.07 0.11 0.23 116.25 120.18 1xax h VAL 25 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1xax h VAL 25 Cb 0.38 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1xax h VAL 25 CO -0.08 0.00 -0.08 -0.61 0.02 0.00 0.00 177.57 176.82 1xax h GLN 26 N -0.31 -0.21 0.09 1.57 4.15 -0.64 1.71 115.11 121.47 1xax h GLN 26 Ca 0.14 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1xax h GLN 26 Cb 0.58 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 1xax h GLN 26 CO -0.60 -0.13 -0.44 2.35 -1.93 0.00 0.00 178.83 178.09 1xax h TRP 27 N -0.23 -1.27 0.00 3.99 2.91 0.16 0.19 115.95 121.70 1xax h TRP 27 Ca -0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1xax h TRP 27 Cb 0.18 0.54 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 1xax h TRP 27 CO -0.06 -0.49 0.00 0.00 -1.03 0.00 0.00 178.44 176.86 1xax n ALA 28 N -2.85 -0.00 0.26 2.65 0.00 0.75 -3.12 120.51 118.20 1xax n ALA 28 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.52 1xax n ALA 28 Cb 0.34 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.62 1xax n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xax h THR 29 N 0.00 0.60 -0.20 0.00 1.35 -0.54 -1.90 112.91 112.22 1xax h THR 29 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 1xax h THR 29 Cb 0.00 0.95 0.01 0.00 -1.73 0.00 0.00 68.15 67.37 1xax h THR 29 CO 0.00 0.00 -0.68 1.23 -0.25 0.00 0.00 175.52 175.82 1xax h GLY 30 N 0.00 0.88 2.00 5.82 0.00 0.54 -2.43 103.07 109.88 1xax h GLY 30 Ca 0.03 -1.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.20 1xax h GLY 30 CO -0.00 1.03 -0.06 0.00 0.00 0.00 0.00 176.54 177.51 1xax h ALA 31 N 0.64 1.07 0.00 3.60 0.00 -0.39 -2.51 119.26 121.66 1xax h ALA 31 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xax h ALA 31 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xax h ALA 31 CO 0.14 0.08 -0.95 1.55 0.00 0.00 0.00 179.25 180.07 1xax n VAL 32 N -3.26 0.38 -2.31 0.00 3.14 -1.09 -4.29 118.33 110.91 1xax n VAL 32 Ca -0.01 -0.38 -0.21 0.00 -2.96 0.00 0.00 64.34 60.78 1xax n VAL 32 Cb 0.27 -0.11 0.02 0.00 -1.06 0.00 0.00 33.84 32.96 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 -2.29 3.17 0.28 1.45 3.00 -0.93 -4.82 117.38 117.24 1xax n GLN 33 Ca 0.01 -4.15 0.19 0.00 -0.01 0.00 0.00 57.00 53.04 1xax n GLN 33 Cb 0.49 -2.12 0.99 0.00 0.00 0.00 0.00 30.24 29.60 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1xax h PRO 34 N 2.43 0.00 0.00 -1.09 0.13 -1.70 -3.19 132.00 128.58 1xax h PRO 34 Ca 0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.27 1xax h PRO 34 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1xax h PRO 34 CO 0.71 0.00 -1.32 0.39 -0.23 0.00 0.00 178.00 177.56 1xax n GLU 35 N -2.82 0.49 0.00 0.86 1.02 -1.26 -5.11 120.64 113.82 1xax n GLU 35 Ca -0.02 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1xax n GLU 35 Cb 0.08 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.62 2.55 2.91 0.62 0.00 -1.20 -5.15 105.19 106.54 1xax n GLY 36 Ca -0.23 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 1xax n GLY 36 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xax s ASN 37 N 0.00 0.60 -0.02 1.61 3.84 -1.26 -4.89 114.94 114.82 1xax s ASN 37 Ca 0.00 -0.08 -0.30 0.00 0.21 0.00 0.00 52.86 52.69 1xax s ASN 37 Cb 0.00 -0.16 -0.06 0.00 -0.55 0.00 0.00 41.25 40.47 1xax s ASN 37 CO 0.00 0.01 1.65 -0.70 -2.79 0.00 0.00 177.10 175.27 1xax s GLU 38 N 0.30 4.19 0.18 0.43 2.12 -1.25 0.13 118.70 124.80 1xax s GLU 38 Ca -0.03 2.22 -0.17 0.00 0.36 0.00 0.00 54.97 57.35 1xax s GLU 38 Cb -0.07 -3.89 0.03 0.00 0.26 0.00 0.00 34.13 30.46 1xax s GLU 38 CO -0.00 -0.81 0.48 0.08 -0.54 0.00 0.00 175.26 174.47 1xax s VAL 39 N 3.68 0.04 -0.14 3.70 1.01 0.93 -4.79 120.40 124.83 1xax s VAL 39 Ca 0.74 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1xax s VAL 39 Cb -0.35 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.58 1xax s VAL 39 CO 0.30 -0.16 0.21 -0.70 0.00 0.00 0.00 175.10 174.75 1xax s GLU 40 N -3.87 0.12 -0.29 2.72 2.56 -1.25 0.13 118.70 118.82 1xax s GLU 40 Ca 0.09 0.49 -0.02 0.00 0.00 0.00 0.00 54.97 55.53 1xax s GLU 40 Cb -0.00 -0.53 0.10 0.00 2.00 0.00 0.00 34.13 35.70 1xax s GLU 40 CO -0.04 -0.42 0.10 -1.64 -0.56 0.00 0.00 175.26 172.70 1xax s MET 41 N 2.34 0.51 -0.47 4.30 -1.94 0.10 0.37 119.30 124.52 1xax s MET 41 Ca 0.04 -0.82 -0.16 0.00 -1.71 0.00 0.00 55.69 53.04 1xax s MET 41 Cb -0.13 -1.69 0.06 0.00 2.01 0.00 0.00 34.83 35.07 1xax s MET 41 CO -0.09 -0.97 0.44 0.99 -0.01 0.00 0.00 175.02 175.38 1xax s THR 42 N 1.82 5.14 -0.10 2.05 2.01 0.43 -0.53 115.64 126.45 1xax s THR 42 Ca 0.09 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 1xax s THR 42 Cb -0.17 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1xax s THR 42 CO -0.28 -0.58 0.09 -0.69 -0.69 0.00 0.00 174.62 172.47 1xax s VAL 43 N 1.93 5.01 -0.03 3.82 1.01 0.38 0.16 120.40 132.69 1xax s VAL 43 Ca 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1xax s VAL 43 Cb -0.22 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1xax s VAL 43 CO 0.09 0.59 -0.07 -0.60 0.00 0.00 0.00 175.10 175.11 1xax s ARG 44 N -1.04 0.86 -0.04 2.72 6.06 0.36 -0.20 118.95 127.68 1xax s ARG 44 Ca 0.15 -0.23 0.06 0.00 -2.50 0.00 0.00 55.73 53.21 1xax s ARG 44 Cb -0.12 -0.82 -0.01 0.00 0.06 0.00 0.00 34.95 34.06 1xax s ARG 44 CO 0.04 0.06 -0.23 0.96 -2.50 0.00 0.00 175.30 173.63 1xax s ILE 45 N 0.36 1.86 -0.22 4.11 -4.36 0.19 -0.10 121.20 123.04 1xax s ILE 45 Ca -0.05 -0.97 -0.36 0.00 -0.26 0.00 0.00 60.65 59.00 1xax s ILE 45 Cb -0.10 -1.56 0.15 0.00 1.25 0.00 0.00 42.46 42.20 1xax s ILE 45 CO 0.00 0.52 1.26 0.54 0.24 0.00 0.00 174.94 177.51 1xax s VAL 46 N -0.27 0.00 1.05 8.37 0.11 -1.13 0.04 120.40 128.56 1xax s VAL 46 Ca 0.01 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.88 1xax s VAL 46 Cb -0.12 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.80 1xax s VAL 46 CO 0.02 0.00 -0.19 0.47 -3.33 0.00 0.00 175.10 172.06 1xax n ASP 47 N -0.05 -2.67 0.17 3.54 9.92 -1.26 -3.39 116.55 122.80 1xax n ASP 47 Ca 0.02 -0.19 -0.12 0.00 -0.53 0.00 0.00 54.79 53.98 1xax n ASP 47 Cb 0.58 -0.80 -0.07 0.00 -0.64 0.00 0.00 41.12 40.19 1xax n ASP 47 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1xax h GLU 48 N -2.07 -0.46 0.14 -1.24 5.08 -1.98 -2.60 114.58 111.45 1xax h GLU 48 Ca -0.41 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1xax h GLU 48 Cb 1.15 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1xax h GLU 48 CO 0.27 -0.14 -0.43 0.00 -1.00 0.00 0.00 179.01 177.71 1xax h ALA 49 N -0.61 -0.78 -0.23 3.43 0.00 -1.99 0.28 119.26 119.36 1xax h ALA 49 Ca -0.05 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xax h ALA 49 Cb 0.53 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1xax h ALA 49 CO 0.08 -1.01 -0.31 0.93 0.00 0.00 0.00 179.25 178.94 1xax h GLU 50 N -0.68 -0.32 -0.59 0.00 5.08 -1.93 0.46 114.58 116.61 1xax h GLU 50 Ca 0.02 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1xax h GLU 50 Cb 0.69 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1xax h GLU 50 CO -0.24 -0.21 0.26 1.03 -1.00 0.00 0.00 179.01 178.85 1xax h SER 51 N -0.33 0.32 0.55 1.42 0.87 -1.23 0.15 113.55 115.29 1xax h SER 51 Ca 0.12 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1xax h SER 51 Cb 0.53 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1xax h SER 51 CO -0.42 0.20 -0.26 0.45 -0.53 0.00 0.00 176.83 176.28 1xax h HIS 52 N 0.48 -0.68 -0.59 2.24 3.86 0.05 0.35 115.15 120.86 1xax h HIS 52 Ca 0.28 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.59 1xax h HIS 52 Cb 0.28 0.23 -0.09 0.00 1.06 0.00 0.00 27.41 28.89 1xax h HIS 52 CO -0.13 -0.36 0.10 1.05 0.86 0.00 0.00 177.93 179.45 1xax h GLU 53 N -0.95 0.23 0.00 2.45 4.11 0.06 0.62 114.58 121.10 1xax h GLU 53 Ca -0.08 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 1xax h GLU 53 Cb 0.63 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xax h GLU 53 CO 0.12 0.15 -0.17 1.25 0.07 0.00 0.00 179.01 180.44 1xax h LEU 54 N 0.23 0.00 0.80 3.06 7.12 -0.62 0.32 115.31 126.22 1xax h LEU 54 Ca 0.31 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.28 1xax h LEU 54 Cb 0.46 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1xax h LEU 54 CO -0.41 0.17 -0.38 -1.13 -0.13 0.00 0.00 178.44 176.55 1xax h ASN 55 N 0.00 -0.91 0.55 1.25 -1.24 0.44 -2.44 115.58 113.23 1xax h ASN 55 Ca -0.00 0.03 -0.28 0.00 0.71 0.00 0.00 56.30 56.76 1xax h ASN 55 Cb 0.31 0.24 0.01 0.00 0.73 0.00 0.00 38.32 39.60 1xax h ASN 55 CO 0.02 -0.61 -1.27 -0.07 -1.29 0.00 0.00 177.43 174.21 1xax h LEU 56 N -1.16 0.51 -1.84 0.34 4.07 -1.23 -0.12 115.31 115.88 1xax h LEU 56 Ca -0.11 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.31 1xax h LEU 56 Cb 0.82 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1xax h LEU 56 CO 0.18 1.42 0.00 0.00 -1.08 0.00 0.00 178.44 178.96 1xax h THR 57 N 0.10 0.00 0.00 0.22 1.03 -0.46 -2.71 112.91 111.08 1xax h THR 57 Ca -0.15 -0.22 -0.02 0.00 -0.01 0.00 0.00 66.41 66.00 1xax h THR 57 Cb 1.99 1.10 -0.00 0.00 -1.07 0.00 0.00 68.15 70.16 1xax h THR 57 CO 0.22 0.00 -1.30 0.00 -0.01 0.00 0.00 175.52 174.43 1xax n TYR 58 N -2.82 0.00 0.00 0.00 4.11 -0.92 -4.93 117.16 112.60 1xax n TYR 58 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1xax n TYR 58 Cb 0.17 -0.17 0.00 0.00 -0.00 0.00 0.00 39.34 39.35 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 -1.82 0.00 -0.75 -3.48 -4.01 -0.35 -5.07 116.66 101.17 1xax n ARG 59 Ca -0.03 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.78 1xax n ARG 59 Cb 0.28 -0.31 0.00 0.00 -3.04 0.00 0.00 32.46 29.39 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 0.18 0.86 0.00 2.89 0.00 -0.21 -4.93 105.19 103.98 1xax n GLY 60 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.69 2.31 -0.25 1.61 4.81 -1.23 -4.91 118.16 119.81 1xax n LYS 61 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1xax n LYS 61 Cb 0.24 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.36 1xax n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xax n ASP 62 N -1.18 -1.93 -0.30 3.14 8.00 -1.26 -4.70 116.55 118.33 1xax n ASP 62 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1xax n ASP 62 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xax n ARG 63 N -0.95 3.29 -1.39 -1.24 1.74 -1.26 -4.76 116.66 112.09 1xax n ARG 63 Ca 0.03 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 1xax n ARG 63 Cb 0.13 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.43 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 0.00 0.00 -0.65 5.56 -0.02 -1.26 -4.86 135.00 133.77 1xax n PRO 64 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xax n PRO 64 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 6.98 0.00 -0.06 3.45 5.66 -1.26 -5.09 114.28 123.96 1xax n THR 65 Ca 0.61 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.54 1xax n THR 65 Cb 0.02 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.74 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 -0.50 2.97 -3.29 1.09 5.15 -1.26 -4.90 115.26 114.51 1xax n ASN 66 Ca 0.00 -0.05 -0.22 0.00 -0.60 0.00 0.00 54.58 53.71 1xax n ASN 66 Cb 0.00 0.08 -0.08 0.00 -0.53 0.00 0.00 39.78 39.25 1xax n ASN 66 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xax s VAL 67 N -2.23 0.01 0.07 3.44 -7.23 -1.26 -3.64 120.40 109.56 1xax s VAL 67 Ca -0.13 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.69 1xax s VAL 67 Cb 0.04 -0.95 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 1xax s VAL 67 CO 0.31 -0.93 0.95 -0.22 -0.31 0.00 0.00 175.10 174.90 1xax s LEU 68 N 0.49 4.46 0.24 1.32 2.96 -0.92 -4.60 118.68 122.63 1xax s LEU 68 Ca 0.29 1.73 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 1xax s LEU 68 Cb -0.02 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1xax s LEU 68 CO -0.13 -0.11 0.02 -0.44 -1.32 0.00 0.00 176.35 174.37 1xax s SER 69 N 0.28 1.70 -0.58 3.68 0.01 -1.26 0.25 113.70 117.78 1xax s SER 69 Ca 0.48 -1.26 0.05 0.00 1.31 0.00 0.00 55.95 56.53 1xax s SER 69 Cb -0.22 0.04 0.18 0.00 0.21 0.00 0.00 66.02 66.23 1xax s SER 69 CO 0.29 -0.56 0.48 0.49 0.41 0.00 0.00 173.24 174.34 1xax n PHE 70 N -0.43 1.66 -1.73 2.43 3.72 0.11 -4.87 117.46 118.35 1xax n PHE 70 Ca -0.04 -3.91 -0.31 0.00 -0.05 0.00 0.00 57.45 53.14 1xax n PHE 70 Cb 0.64 -0.31 0.03 0.00 -0.94 0.00 0.00 39.48 38.91 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 -1.07 3.26 0.39 -1.08 0.02 -1.25 -0.40 135.00 134.87 1xax s PRO 71 Ca 0.30 0.87 -0.26 0.00 0.02 0.00 0.00 61.00 61.93 1xax s PRO 71 Cb 0.02 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 1xax s PRO 71 CO -0.16 -0.84 1.20 -0.59 -0.33 0.00 0.00 177.00 176.28 1xax s PHE 72 N -3.09 3.04 -0.36 6.54 -0.71 -1.26 -4.87 117.98 117.28 1xax s PHE 72 Ca 0.57 1.53 -0.38 0.00 -1.04 0.00 0.00 56.93 57.60 1xax s PHE 72 Cb -0.13 -3.45 -0.14 0.00 -1.21 0.00 0.00 43.02 38.09 1xax s PHE 72 CO 0.54 -1.44 2.06 -1.91 -1.34 0.00 0.00 175.22 173.12 1xax n GLU 73 N 0.16 0.87 -2.97 1.99 2.13 -1.26 -4.87 120.64 116.70 1xax n GLU 73 Ca 0.04 0.27 -0.26 0.00 0.66 0.00 0.00 57.16 57.86 1xax n GLU 73 Cb 0.46 -2.17 -0.04 0.00 0.27 0.00 0.00 31.44 29.96 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xax h PRO 75 N 3.00 0.00 -0.81 0.00 0.13 -2.04 -3.29 132.00 128.99 1xax h PRO 75 Ca 0.13 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.71 1xax h PRO 75 Cb 0.55 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.25 1xax h PRO 75 CO 0.79 0.59 -0.82 -0.25 -0.23 0.00 0.00 178.00 178.08 1xax n ASP 76 N -3.24 4.82 -0.21 1.44 9.92 -1.26 -5.06 116.55 122.96 1xax n ASP 76 Ca 0.01 -3.70 -0.02 0.00 -0.53 0.00 0.00 54.79 50.54 1xax n ASP 76 Cb 0.78 -0.35 -0.01 0.00 -0.64 0.00 0.00 41.12 40.90 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 -0.69 0.00 -1.11 -1.24 1.02 -1.24 -4.89 120.64 112.49 1xax n GLU 77 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1xax n GLU 77 Cb 0.94 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 32.29 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 0.34 0.00 -3.33 2.62 0.24 -1.26 -4.79 118.33 112.14 1xax n VAL 78 Ca 0.03 0.00 -0.47 0.00 -2.04 0.00 0.00 64.34 61.86 1xax n VAL 78 Cb -0.00 -0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 31.85 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 -0.96 3.69 -0.12 7.34 2.02 -1.26 -4.69 118.70 124.72 1xax s GLU 79 Ca 0.00 -2.58 -0.04 0.00 0.02 0.00 0.00 54.97 52.37 1xax s GLU 79 Cb 0.00 -4.44 0.06 0.00 0.10 0.00 0.00 34.13 29.85 1xax s GLU 79 CO 0.00 -1.28 0.18 -0.51 0.02 0.00 0.00 175.26 173.66 1xax s LEU 80 N -0.06 -0.06 0.13 1.80 2.01 -1.26 -4.98 118.68 116.25 1xax s LEU 80 Ca 0.20 0.14 -0.31 0.00 0.01 0.00 0.00 54.13 54.17 1xax s LEU 80 Cb -0.10 0.29 -0.09 0.00 0.01 0.00 0.00 46.19 46.29 1xax s LEU 80 CO -0.09 -0.27 1.63 -2.84 1.01 0.00 0.00 176.35 175.79 1xax s PRO 81 N 2.30 4.20 0.00 1.29 0.02 -1.26 -4.91 135.00 136.63 1xax s PRO 81 Ca 0.04 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1xax s PRO 81 Cb -0.13 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1xax s PRO 81 CO -0.08 -0.68 0.00 1.47 -0.33 0.00 0.00 177.00 177.38 1xax n LEU 82 N 4.76 0.00 0.00 -5.54 -0.00 -1.26 -4.66 117.00 110.30 1xax n LEU 82 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1xax n LEU 82 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1xax n LEU 82 CO 0.62 0.00 -0.34 -0.11 -0.00 0.00 0.00 177.39 177.56 1xax n LEU 83 N 0.00 0.00 0.00 1.47 -0.00 0.16 -4.85 117.00 113.78 1xax n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xax n LEU 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xax n LEU 83 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1xax n GLY 84 N 2.18 -0.59 3.75 -3.96 0.00 -1.02 -4.76 105.19 100.80 1xax n GLY 84 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 1xax n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xax s ASP 85 N -4.00 5.22 -0.00 1.61 1.01 0.46 -0.43 116.67 120.54 1xax s ASP 85 Ca 0.00 -0.29 -0.02 0.00 0.71 0.00 0.00 52.55 52.96 1xax s ASP 85 Cb 0.00 -1.26 -0.00 0.00 1.01 0.00 0.00 42.92 42.67 1xax s ASP 85 CO 0.00 0.04 0.03 -0.22 0.21 0.00 0.00 175.17 175.23 1xax s LEU 86 N -3.30 1.96 -0.51 1.23 0.20 0.43 0.09 118.68 118.76 1xax s LEU 86 Ca 0.31 -0.16 0.04 0.00 0.69 0.00 0.00 54.13 55.01 1xax s LEU 86 Cb -0.09 0.18 0.17 0.00 -0.43 0.00 0.00 46.19 46.02 1xax s LEU 86 CO 0.22 -0.15 0.39 -0.69 -0.29 0.00 0.00 176.35 175.83 1xax s VAL 87 N -0.65 1.21 0.28 1.68 1.01 0.70 0.14 120.40 124.77 1xax s VAL 87 Ca -0.07 -3.20 -0.16 0.00 0.00 0.00 0.00 61.98 58.55 1xax s VAL 87 Cb -0.04 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 1xax s VAL 87 CO -0.00 -1.15 0.72 -0.63 0.00 0.00 0.00 175.10 174.03 1xax s ILE 88 N -0.45 4.66 -0.07 2.22 1.09 0.86 -2.16 121.20 127.35 1xax s ILE 88 Ca 0.30 1.04 -0.30 0.00 -1.10 0.00 0.00 60.65 60.59 1xax s ILE 88 Cb 0.01 -3.69 -0.02 0.00 -1.06 0.00 0.00 42.46 37.69 1xax s ILE 88 CO -0.18 -0.04 1.05 0.00 -0.10 0.00 0.00 174.94 175.66 1xax n ARG 90 N 4.85 0.76 0.05 0.00 0.63 -1.22 -3.58 116.66 118.14 1xax n ARG 90 Ca 0.09 -0.19 -0.18 0.00 -0.92 0.00 0.00 57.85 56.64 1xax n ARG 90 Cb 0.48 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.76 1xax n ARG 90 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1xax h GLN 91 N 0.47 0.26 0.05 -0.14 3.07 -1.91 -3.18 115.11 113.73 1xax h GLN 91 Ca 0.00 -0.45 -0.00 0.00 0.09 0.00 0.00 58.65 58.29 1xax h GLN 91 Cb 0.29 0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.02 1xax h GLN 91 CO 0.00 1.12 -0.02 0.28 0.09 0.00 0.00 178.83 180.30 1xax h VAL 92 N 0.07 0.00 -0.40 1.86 2.07 -1.97 -2.75 116.25 115.13 1xax h VAL 92 Ca -0.31 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.41 1xax h VAL 92 Cb 2.04 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1xax h VAL 92 CO 0.14 0.00 0.16 -0.37 0.02 0.00 0.00 177.57 177.52 1xax h VAL 93 N -0.91 0.91 -0.37 2.57 -1.51 -1.79 0.24 116.25 115.40 1xax h VAL 93 Ca -0.01 -0.11 -0.03 0.00 -1.23 0.00 0.00 66.70 65.32 1xax h VAL 93 Cb 0.05 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 1xax h VAL 93 CO 0.01 0.06 0.09 -0.08 -1.23 0.00 0.00 177.57 176.43 1xax h GLU 94 N 0.33 0.53 -0.16 5.19 4.57 -1.73 0.27 114.58 123.59 1xax h GLU 94 Ca 0.18 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1xax h GLU 94 Cb 0.14 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1xax h GLU 94 CO -0.17 0.49 -0.17 -0.09 -1.18 0.00 0.00 179.01 177.90 1xax h ARG 95 N 0.53 0.40 -0.61 1.92 9.65 -0.96 0.42 114.38 125.72 1xax h ARG 95 Ca 0.12 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 1xax h ARG 95 Cb 0.19 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 1xax h ARG 95 CO -0.00 0.78 0.18 1.49 2.80 0.00 0.00 179.97 185.21 1xax h GLU 96 N 0.03 0.96 -0.25 0.20 4.81 -0.13 0.28 114.58 120.47 1xax h GLU 96 Ca 0.02 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 1xax h GLU 96 Cb 0.71 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1xax h GLU 96 CO 0.04 0.86 -0.36 0.00 -0.73 0.00 0.00 179.01 178.81 1xax h ALA 97 N 1.06 0.38 -0.12 2.92 0.00 -0.44 0.32 119.26 123.37 1xax h ALA 97 Ca 0.20 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1xax h ALA 97 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xax h ALA 97 CO -0.00 0.45 -0.31 0.66 0.00 0.00 0.00 179.25 180.05 1xax h SER 98 N 0.41 0.24 0.78 0.00 4.64 0.01 0.71 113.55 120.33 1xax h SER 98 Ca 0.03 -0.08 -0.25 0.00 -0.47 0.00 0.00 61.79 61.02 1xax h SER 98 Cb 0.95 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1xax h SER 98 CO 0.08 0.55 -1.26 -0.08 -0.87 0.00 0.00 176.83 175.25 1xax h GLU 99 N 0.21 0.05 0.02 4.77 4.81 -0.35 -3.32 114.58 120.77 1xax h GLU 99 Ca 0.03 -0.09 -0.25 0.00 -0.13 0.00 0.00 59.36 58.92 1xax h GLU 99 Cb 0.66 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1xax h GLU 99 CO 0.05 0.91 -1.28 1.96 -0.73 0.00 0.00 179.01 179.92 1xax h GLN 100 N 0.01 0.04 -3.82 1.92 1.08 -0.13 -3.48 115.11 110.73 1xax h GLN 100 Ca -0.12 -0.07 -0.29 0.00 -1.45 0.00 0.00 58.65 56.73 1xax h GLN 100 Cb 1.88 0.02 0.07 0.00 -0.05 0.00 0.00 27.48 29.40 1xax h GLN 100 CO 0.13 0.87 -0.46 0.39 -0.95 0.00 0.00 178.83 178.81 1xax n GLU 101 N -3.28 -4.46 -3.96 1.46 -0.58 0.24 -5.02 120.64 105.04 1xax n GLU 101 Ca -0.07 0.63 -0.21 0.00 -0.42 0.00 0.00 57.16 57.09 1xax n GLU 101 Cb 0.99 -4.97 -0.02 0.00 -0.57 0.00 0.00 31.44 26.87 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1xax s LYS 102 N -5.61 3.38 -0.42 3.49 3.01 -1.22 -5.00 119.74 117.37 1xax s LYS 102 Ca 0.30 -0.80 -0.34 0.00 -1.01 0.00 0.00 55.97 54.12 1xax s LYS 102 Cb -0.13 -2.86 -0.12 0.00 -1.01 0.00 0.00 37.83 33.71 1xax s LYS 102 CO 0.38 0.41 2.25 -2.30 0.51 0.00 0.00 175.35 176.60 1xax n PRO 103 N -1.40 0.95 0.26 -1.68 -0.02 -1.26 -4.81 135.00 127.05 1xax n PRO 103 Ca -0.09 0.23 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1xax n PRO 103 Cb 0.57 -2.44 0.64 0.00 -0.02 0.00 0.00 33.50 32.25 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 12.90 0.00 -0.13 2.45 3.38 -1.95 -3.05 115.31 128.91 1xax h LEU 104 Ca -0.24 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1xax h LEU 104 Cb 1.32 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1xax h LEU 104 CO 1.06 0.01 -0.32 -0.03 0.09 0.00 0.00 178.44 179.26 1xax h MET 105 N 0.00 -0.29 -0.15 1.13 4.05 -2.02 0.91 114.93 118.56 1xax h MET 105 Ca -0.00 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1xax h MET 105 Cb 0.03 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1xax h MET 105 CO 0.00 -0.19 0.11 0.00 0.23 0.00 0.00 176.91 177.06 1xax h ALA 106 N -0.71 2.14 0.35 0.39 0.00 -1.94 -2.85 119.26 116.65 1xax h ALA 106 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xax h ALA 106 Cb 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xax h ALA 106 CO -0.29 -0.19 -0.38 1.25 0.00 0.00 0.00 179.25 179.64 1xax h HIS 107 N 0.00 -1.07 -0.63 0.00 6.17 -0.76 0.20 115.15 119.06 1xax h HIS 107 Ca 0.07 0.01 0.12 0.00 0.71 0.00 0.00 60.37 61.28 1xax h HIS 107 Cb 0.30 0.42 -0.12 0.00 2.52 0.00 0.00 27.41 30.53 1xax h HIS 107 CO 0.00 -0.50 -0.27 -1.49 0.71 0.00 0.00 177.93 176.38 1xax h TRP 108 N -0.74 -0.70 -0.99 5.26 6.55 -1.04 1.59 115.95 125.87 1xax h TRP 108 Ca -0.04 0.07 0.06 0.00 0.95 0.00 0.00 58.89 59.92 1xax h TRP 108 Cb 0.65 0.40 -0.06 0.00 -0.86 0.00 0.00 29.16 29.29 1xax h TRP 108 CO -0.23 -0.35 0.65 0.00 -1.05 0.00 0.00 178.44 177.46 1xax h ALA 109 N 1.27 1.40 0.00 1.49 0.00 -1.45 0.15 119.26 122.11 1xax h ALA 109 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xax h ALA 109 Cb 0.53 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xax h ALA 109 CO -0.69 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 180.26 1xax h HIS 110 N 1.19 0.00 -0.56 0.00 -0.00 0.21 -2.99 115.15 113.00 1xax h HIS 110 Ca 0.42 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.89 1xax h HIS 110 Cb 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 1xax h HIS 110 CO -0.00 0.78 0.38 0.00 -0.00 0.00 0.00 177.93 179.08 1xax h MET 111 N -1.00 0.33 -0.01 5.26 -0.00 0.22 0.27 114.93 119.99 1xax h MET 111 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 1xax h MET 111 Cb 0.78 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 1xax h MET 111 CO -0.00 0.22 -0.10 -0.39 -0.00 0.00 0.00 176.91 176.64 1xax h VAL 112 N 0.33 1.53 0.00 -0.10 -1.51 -1.08 -2.22 116.25 113.21 1xax h VAL 112 Ca 0.26 -1.70 -0.05 0.00 -1.23 0.00 0.00 66.70 63.98 1xax h VAL 112 Cb 0.57 2.62 -0.01 0.00 -2.13 0.00 0.00 31.29 32.35 1xax h VAL 112 CO -0.06 0.45 -0.21 0.58 -1.23 0.00 0.00 177.57 177.10 1xax h VAL 113 N -0.57 0.94 0.15 7.19 2.07 -1.27 0.52 116.25 125.27 1xax h VAL 113 Ca -0.01 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1xax h VAL 113 Cb 0.79 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1xax h VAL 113 CO 0.02 0.21 -0.07 -0.74 0.02 0.00 0.00 177.57 177.01 1xax h HIS 114 N 0.00 -0.18 0.00 1.57 -0.00 -0.50 -2.99 115.15 113.04 1xax h HIS 114 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1xax h HIS 114 Cb 0.44 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1xax h HIS 114 CO 0.00 0.27 0.00 0.41 -0.00 0.00 0.00 177.93 178.61 1xax n GLY 115 N 0.64 -1.43 0.07 5.26 0.00 -0.84 -2.13 105.19 106.77 1xax n GLY 115 Ca -0.08 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1xax n GLY 115 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xax h SER 116 N 0.00 -0.02 0.63 1.61 4.64 -0.94 -3.29 113.55 116.19 1xax h SER 116 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1xax h SER 116 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1xax h SER 116 CO 0.00 0.81 -0.16 -0.11 -0.87 0.00 0.00 176.83 176.50 1xax n LEU 117 N -4.69 0.28 0.06 5.97 0.00 -1.13 -3.10 117.00 114.40 1xax n LEU 117 Ca -0.08 0.19 -0.14 0.00 0.00 0.00 0.00 56.01 55.98 1xax n LEU 117 Cb 0.35 -0.32 -0.14 0.00 0.00 0.00 0.00 43.42 43.32 1xax n LEU 117 CO 0.27 0.06 -0.22 0.45 0.00 0.00 0.00 177.39 177.95 1xax h HIS 118 N 0.20 0.35 0.00 1.96 3.86 -1.55 -2.79 115.15 117.17 1xax h HIS 118 Ca 0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1xax h HIS 118 Cb 0.44 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1xax h HIS 118 CO 0.00 1.27 -1.83 -0.11 0.86 0.00 0.00 177.93 178.12 1xax n LEU 119 N -3.42 0.15 0.00 2.43 0.00 -1.24 -4.74 117.00 110.19 1xax n LEU 119 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 55.88 1xax n LEU 119 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 44.44 1xax n LEU 119 CO 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 177.39 177.54 1xax n LEU 120 N -2.23 1.95 -2.05 -1.96 -0.00 -1.18 -4.96 117.00 106.57 1xax n LEU 120 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1xax n LEU 120 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1xax n LEU 120 CO 0.45 0.32 0.11 0.61 -0.00 0.00 0.00 177.39 178.89 1xax n GLY 121 N 2.87 -0.56 0.30 1.47 0.00 -1.05 -4.90 105.19 103.32 1xax n GLY 121 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.33 0.00 0.38 1.61 4.11 -1.26 -3.51 117.16 117.16 1xax n TYR 122 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.95 1xax n TYR 122 Cb 0.50 -0.05 0.20 0.00 -0.00 0.00 0.00 39.34 39.99 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 -0.15 2.80 -3.09 9.48 2.03 -1.26 -4.83 116.55 121.53 1xax n ASP 123 Ca 0.00 -2.21 -0.06 0.00 0.52 0.00 0.00 54.79 53.05 1xax n ASP 123 Cb 0.13 -0.41 0.06 0.00 -0.72 0.00 0.00 41.12 40.18 1xax n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xax n HIS 124 N 0.58 -1.95 -1.31 -0.67 1.44 -1.23 -4.58 115.22 107.49 1xax n HIS 124 Ca 0.15 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1xax n HIS 124 Cb 0.52 -0.32 0.00 0.00 0.12 0.00 0.00 29.99 30.31 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 -3.37 -0.37 1.26 0.61 -5.35 -1.26 -3.93 119.36 106.95 1xax n ILE 125 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1xax n ILE 125 Cb 0.12 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 36.96 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 1.71 0.79 0.00 6.28 0.28 -1.26 -2.67 120.64 125.77 1xax n GLU 126 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1xax n GLU 126 Cb 0.00 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 31.71 1xax n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xax n ASP 127 N -0.26 0.00 0.00 -1.84 8.00 -1.26 -4.70 116.55 116.49 1xax n ASP 127 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1xax n ASP 127 Cb 0.08 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1xax n ASP 127 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xax n ASP 128 N -2.13 0.00 -0.33 -2.24 9.92 -1.26 -4.44 116.55 116.07 1xax n ASP 128 Ca 0.00 0.03 0.26 0.00 -0.53 0.00 0.00 54.79 54.55 1xax n ASP 128 Cb 0.00 -0.31 0.49 0.00 -0.64 0.00 0.00 41.12 40.66 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 0.23 -1.24 4.57 -1.85 -1.04 114.58 115.25 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 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1xax h GLU 129 CO 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 179.01 177.52 1xax h ALA 130 N 2.00 -0.94 0.13 2.92 0.00 -1.63 1.30 119.26 123.05 1xax h ALA 130 Ca 0.77 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.59 1xax h ALA 130 Cb 1.92 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 1xax h ALA 130 CO -0.83 -0.98 -0.20 0.93 0.00 0.00 0.00 179.25 178.18 1xax h GLU 131 N -0.55 -0.38 0.31 0.00 3.07 -1.45 0.26 114.58 115.84 1xax h GLU 131 Ca -0.03 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xax h GLU 131 Cb 0.50 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1xax h GLU 131 CO -0.08 -0.25 -0.32 1.49 -1.40 0.00 0.00 179.01 178.45 1xax h GLU 132 N -0.39 -0.64 -0.38 2.33 4.81 -1.19 0.33 114.58 119.45 1xax h GLU 132 Ca 0.02 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1xax h GLU 132 Cb 0.40 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1xax h GLU 132 CO -0.09 -0.43 0.01 1.98 -0.73 0.00 0.00 179.01 179.75 1xax h MET 133 N -0.67 0.12 -0.28 1.92 4.05 0.18 0.39 114.93 120.64 1xax h MET 133 Ca -0.01 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1xax h MET 133 Cb 0.61 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1xax h MET 133 CO -0.07 0.08 0.15 0.93 0.23 0.00 0.00 176.91 178.22 1xax h GLU 134 N 0.12 0.30 0.78 0.39 5.08 -0.18 0.90 114.58 121.96 1xax h GLU 134 Ca 0.19 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1xax h GLU 134 Cb 0.26 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xax h GLU 134 CO -0.30 0.20 -0.46 1.03 -1.00 0.00 0.00 179.01 178.48 1xax h SER 135 N 0.31 -1.14 0.09 1.42 0.87 0.53 0.12 113.55 115.75 1xax h SER 135 Ca 0.11 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1xax h SER 135 Cb 0.03 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1xax h SER 135 CO -0.07 -0.72 -0.07 0.17 -0.53 0.00 0.00 176.83 175.61 1xax h LEU 136 N -1.15 -0.18 -0.44 2.23 8.10 -0.14 0.24 115.31 123.97 1xax h LEU 136 Ca -0.10 0.01 0.09 0.00 0.11 0.00 0.00 57.88 57.99 1xax h LEU 136 Cb 0.92 0.06 -0.10 0.00 -0.44 0.00 0.00 40.66 41.10 1xax h LEU 136 CO 0.12 -0.11 -0.27 -0.08 -4.11 0.00 0.00 178.44 173.99 1xax h GLU 137 N -0.17 -0.18 0.00 0.17 4.81 0.90 0.84 114.58 120.95 1xax h GLU 137 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1xax h GLU 137 Cb 0.15 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xax h GLU 137 CO -0.00 -0.12 -0.17 0.00 -0.73 0.00 0.00 179.01 177.99 1xax h THR 138 N -0.18 0.77 -0.02 0.32 1.03 -0.50 0.26 112.91 114.58 1xax h THR 138 Ca 0.20 -0.66 -0.21 0.00 -0.01 0.00 0.00 66.41 65.74 1xax h THR 138 Cb 0.50 1.40 -0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1xax h THR 138 CO -0.55 0.16 -0.86 -0.61 -0.01 0.00 0.00 175.52 173.65 1xax h GLN 139 N 0.00 0.36 0.10 0.00 4.15 0.37 1.15 115.11 121.24 1xax h GLN 139 Ca -0.00 -0.35 -0.30 0.00 0.77 0.00 0.00 58.65 58.77 1xax h GLN 139 Cb 0.38 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1xax h GLN 139 CO 0.02 1.02 -1.52 0.82 -1.93 0.00 0.00 178.83 177.25 1xax h ILE 140 N 0.21 1.16 0.00 2.39 2.04 0.91 -2.44 117.51 121.78 1xax h ILE 140 Ca -0.06 -2.82 -0.05 0.00 1.00 0.00 0.00 64.86 62.93 1xax h ILE 140 Cb 1.47 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 40.28 1xax h ILE 140 CO 0.14 0.81 -0.49 0.24 0.00 0.00 0.00 178.15 178.85 1xax h MET 141 N 0.06 0.00 0.17 2.37 2.86 -0.56 -3.40 114.93 116.43 1xax h MET 141 Ca -0.23 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.06 1xax h MET 141 Cb 2.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.67 1xax h MET 141 CO 0.15 0.37 -1.77 0.37 1.06 0.00 0.00 176.91 177.10 1xax h GLN 142 N -1.00 0.36 -1.69 1.72 4.15 0.40 -3.15 115.11 115.90 1xax h GLN 142 Ca -0.08 -0.61 0.49 0.00 0.77 0.00 0.00 58.65 59.22 1xax h GLN 142 Cb 0.64 0.23 -0.07 0.00 0.21 0.00 0.00 27.48 28.49 1xax h GLN 142 CO -0.05 1.29 1.21 0.78 -1.93 0.00 0.00 178.83 180.13 1xax h GLY 143 N 0.68 0.06 0.00 2.39 0.00 0.14 0.50 103.07 106.84 1xax h GLY 143 Ca -0.36 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1xax h GLY 143 CO 0.15 -0.02 -2.00 1.04 0.00 0.00 0.00 176.54 175.72 1xax n LEU 144 N -4.05 0.00 -1.79 3.11 4.32 -1.25 -5.01 117.00 112.34 1xax n LEU 144 Ca 0.38 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.36 1xax n LEU 144 Cb 1.74 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 43.73 1xax n LEU 144 CO 0.42 0.19 0.05 0.61 -1.22 0.00 0.00 177.39 177.45 1xax n GLY 145 N 1.68 -0.59 0.05 -0.72 0.00 0.17 -5.14 105.19 100.65 1xax n GLY 145 Ca -0.15 0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.04 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01