#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xax s VAL 4 N 0.00 3.50 -1.21 0.44 0.11 -1.25 -0.16 120.40 121.84 1xax s VAL 4 Ca 0.00 -0.48 -0.22 0.00 -2.93 0.00 0.00 61.98 58.35 1xax s VAL 4 Cb 0.00 -4.16 -0.07 0.00 -1.53 0.00 0.00 36.38 30.62 1xax s VAL 4 CO 0.00 -1.04 1.91 -0.22 -3.33 0.00 0.00 175.10 172.42 1xax s LEU 5 N 9.73 3.16 -0.17 2.54 2.96 0.36 -4.81 118.68 132.45 1xax s LEU 5 Ca 0.68 -1.80 -0.05 0.00 -0.22 0.00 0.00 54.13 52.74 1xax s LEU 5 Cb -0.05 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1xax s LEU 5 CO 0.00 -2.82 -0.01 0.54 -1.32 0.00 0.00 176.35 172.75 1xax s VAL 6 N 10.07 4.10 -0.11 1.68 0.11 -1.26 -0.53 120.40 134.46 1xax s VAL 6 Ca 0.66 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 1xax s VAL 6 Cb 0.00 -2.82 -0.01 0.00 -1.53 0.00 0.00 36.38 32.02 1xax s VAL 6 CO 0.13 0.47 -0.16 -1.81 -3.33 0.00 0.00 175.10 170.40 1xax s ASP 7 N 0.49 3.77 -0.14 3.54 1.01 0.59 -4.92 116.67 121.01 1xax s ASP 7 Ca -0.02 -0.37 -0.06 0.00 0.71 0.00 0.00 52.55 52.81 1xax s ASP 7 Cb -0.14 -1.44 -0.04 0.00 1.01 0.00 0.00 42.92 42.31 1xax s ASP 7 CO 0.02 0.19 0.08 -0.22 0.21 0.00 0.00 175.17 175.45 1xax s LEU 8 N 0.20 3.99 -0.10 1.23 1.98 -1.26 0.05 118.68 124.77 1xax s LEU 8 Ca -0.10 0.23 -0.00 0.00 -2.89 0.00 0.00 54.13 51.37 1xax s LEU 8 Cb -0.16 -1.98 0.02 0.00 0.66 0.00 0.00 46.19 44.74 1xax s LEU 8 CO 0.06 0.29 -0.06 -1.58 -1.89 0.00 0.00 176.35 173.17 1xax s GLN 9 N -0.35 1.34 -0.20 1.98 0.74 0.11 -4.80 119.66 118.48 1xax s GLN 9 Ca 0.10 -0.19 -0.02 0.00 0.05 0.00 0.00 55.36 55.29 1xax s GLN 9 Cb -0.12 -1.44 -0.00 0.00 1.10 0.00 0.00 33.01 32.55 1xax s GLN 9 CO 0.02 -0.25 -0.09 0.42 -0.55 0.00 0.00 175.29 174.83 1xax s ILE 10 N 1.68 3.03 -0.42 -2.34 -1.09 -1.26 -0.16 121.20 120.65 1xax s ILE 10 Ca 0.04 -0.61 0.09 0.00 -2.23 0.00 0.00 60.65 57.93 1xax s ILE 10 Cb -0.13 -2.35 0.42 0.00 -1.58 0.00 0.00 42.46 38.82 1xax s ILE 10 CO -0.07 0.46 1.03 0.00 -1.23 0.00 0.00 174.94 175.13 1xax n ALA 11 N 4.68 4.40 -2.51 9.38 0.00 -0.98 -4.98 120.51 130.49 1xax n ALA 11 Ca -0.19 -3.98 -0.41 0.00 0.00 0.00 0.00 53.44 48.86 1xax n ALA 11 Cb 0.51 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 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 -4.58 5.21 0.58 0.00 -4.23 -1.26 -4.30 115.64 107.06 1xax s THR 12 Ca 0.42 -0.24 0.29 0.00 -1.18 0.00 0.00 61.69 60.97 1xax s THR 12 Cb 0.40 -3.85 0.39 0.00 1.34 0.00 0.00 72.50 70.78 1xax s THR 12 CO -0.11 -0.17 1.93 -0.33 -0.54 0.00 0.00 174.62 175.40 1xax h GLU 13 N 8.55 0.00 -1.55 3.99 5.08 -1.97 -3.38 114.58 125.30 1xax h GLU 13 Ca -0.29 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1xax h GLU 13 Cb 1.14 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.18 1xax h GLU 13 CO 0.70 0.00 -0.14 -0.80 -1.00 0.00 0.00 179.01 177.77 1xax s ASN 14 N -5.38 -1.17 0.20 1.42 0.01 -1.26 -5.17 114.94 103.59 1xax s ASN 14 Ca -0.04 1.26 0.08 0.00 -0.71 0.00 0.00 52.86 53.44 1xax s ASN 14 Cb 0.16 2.19 -0.05 0.00 0.41 0.00 0.00 41.25 43.96 1xax s ASN 14 CO 0.57 -0.22 -0.14 0.27 -1.51 0.00 0.00 177.10 176.07 1xax s ILE 15 N 2.86 1.70 0.27 0.60 -5.25 -1.26 -5.03 121.20 115.08 1xax s ILE 15 Ca 0.03 -2.19 0.23 0.00 -0.99 0.00 0.00 60.65 57.74 1xax s ILE 15 Cb -0.12 -2.02 0.22 0.00 2.95 0.00 0.00 42.46 43.49 1xax s ILE 15 CO -0.19 -0.60 1.90 -0.33 -1.79 0.00 0.00 174.94 173.93 1xax h GLU 16 N 2.61 0.00 -0.48 0.37 4.39 -2.02 -3.41 114.58 116.04 1xax h GLU 16 Ca -0.38 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.41 1xax h GLU 16 Cb 1.22 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.68 1xax h GLU 16 CO 0.62 0.23 -0.20 0.20 -1.16 0.00 0.00 179.01 178.69 1xax s GLY 17 N -4.27 -1.35 0.15 -3.84 0.00 -1.26 -5.14 107.32 91.62 1xax s GLY 17 Ca -0.01 1.14 -0.34 0.00 0.00 0.00 0.00 44.72 45.51 1xax s GLY 17 CO 0.63 4.06 1.40 1.47 0.00 0.00 0.00 173.10 180.66 1xax n LEU 18 N 4.26 2.36 -4.98 0.66 -0.00 -1.26 -4.97 117.00 113.06 1xax n LEU 18 Ca 0.08 1.12 -0.23 0.00 -0.00 0.00 0.00 56.01 56.97 1xax n LEU 18 Cb 0.60 -1.32 0.08 0.00 -0.00 0.00 0.00 43.42 42.79 1xax n LEU 18 CO -0.09 -0.74 0.49 -2.16 -0.00 0.00 0.00 177.39 174.89 1xax s PRO 19 N 0.30 1.99 -0.08 1.47 0.04 -1.26 -5.11 135.00 132.34 1xax s PRO 19 Ca 0.78 -0.97 0.02 0.00 0.04 0.00 0.00 61.00 60.87 1xax s PRO 19 Cb -0.79 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 31.39 1xax s PRO 19 CO 0.45 -1.20 -0.14 -0.08 0.04 0.00 0.00 177.00 176.08 1xax s THR 20 N -3.02 1.32 0.17 1.26 -1.32 -1.26 -5.01 115.64 107.78 1xax s THR 20 Ca 0.63 -0.57 -0.16 0.00 -1.21 0.00 0.00 61.69 60.38 1xax s THR 20 Cb -0.07 -1.20 0.08 0.00 -1.51 0.00 0.00 72.50 69.80 1xax s THR 20 CO 0.42 0.40 1.69 1.05 -2.21 0.00 0.00 174.62 175.97 1xax h GLU 21 N 7.07 0.09 -0.64 7.08 -0.00 -1.99 -2.40 114.58 123.80 1xax h GLU 21 Ca -0.29 -0.01 0.11 0.00 -0.00 0.00 0.00 59.36 59.17 1xax h GLU 21 Cb 1.19 -0.02 -0.12 0.00 -0.00 0.00 0.00 28.75 29.80 1xax h GLU 21 CO 0.47 0.06 -0.35 0.93 -0.00 0.00 0.00 179.01 180.13 1xax h GLU 22 N 0.09 -0.14 0.16 1.06 4.39 -1.96 1.44 114.58 119.62 1xax h GLU 22 Ca 0.20 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1xax h GLU 22 Cb 0.29 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1xax h GLU 22 CO -0.35 -0.09 -0.09 0.37 -1.16 0.00 0.00 179.01 177.69 1xax h GLN 23 N -0.15 -0.22 0.08 2.33 -0.00 -1.89 0.65 115.11 115.92 1xax h GLN 23 Ca 0.24 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.92 1xax h GLN 23 Cb 0.56 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.04 1xax h GLN 23 CO -0.71 -0.15 -0.45 0.82 0.00 0.00 0.00 178.83 178.34 1xax h ILE 24 N -0.23 0.00 -0.38 2.39 2.04 -1.15 0.48 117.51 120.66 1xax h ILE 24 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1xax h ILE 24 Cb 0.18 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.18 1xax h ILE 24 CO 0.03 0.00 -0.50 0.58 0.00 0.00 0.00 178.15 178.26 1xax h VAL 25 N -0.62 0.00 0.31 1.67 2.07 0.19 0.25 116.25 120.12 1xax h VAL 25 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xax h VAL 25 Cb 0.64 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1xax h VAL 25 CO -0.25 0.00 -0.31 -0.61 0.02 0.00 0.00 177.57 176.41 1xax h GLN 26 N -0.35 -0.63 -0.08 1.57 4.15 -0.68 1.19 115.11 120.29 1xax h GLN 26 Ca 0.07 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.55 1xax h GLN 26 Cb 0.52 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 1xax h GLN 26 CO -0.54 -0.42 -0.45 2.35 -1.93 0.00 0.00 178.83 177.84 1xax h TRP 27 N -0.65 -1.33 0.00 3.99 2.91 0.45 0.19 115.95 121.51 1xax h TRP 27 Ca -0.02 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1xax h TRP 27 Cb 0.60 0.59 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 1xax h TRP 27 CO -0.19 -0.46 0.00 0.00 -1.03 0.00 0.00 178.44 176.76 1xax n ALA 28 N -2.92 -0.00 -0.31 2.65 0.00 0.84 -3.05 120.51 117.72 1xax n ALA 28 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1xax n ALA 28 Cb 0.32 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.03 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 0.70 -0.68 0.00 2.02 -0.59 -0.22 112.91 114.15 1xax h THR 29 Ca 0.00 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1xax h THR 29 Cb 0.00 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 1xax h THR 29 CO 0.00 0.12 0.41 1.23 0.37 0.00 0.00 175.52 177.65 1xax h GLY 30 N 0.65 0.97 1.98 2.16 0.00 0.43 -0.63 103.07 108.63 1xax h GLY 30 Ca 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1xax h GLY 30 CO -0.38 0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1xax n ALA 31 N -2.43 2.07 -0.00 3.60 0.00 -0.13 -2.49 120.51 121.13 1xax n ALA 31 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1xax n ALA 31 Cb 0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 1xax n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xax h VAL 32 N 0.00 0.00 -1.24 0.00 2.07 -0.68 -3.41 116.25 112.99 1xax h VAL 32 Ca 0.00 -0.61 -0.60 0.00 0.82 0.00 0.00 66.70 66.31 1xax h VAL 32 Cb 0.39 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 29.76 1xax h VAL 32 CO 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 177.57 177.09 1xax n GLN 33 N -3.89 3.39 -0.14 1.57 1.13 -1.18 -4.85 117.38 113.41 1xax n GLN 33 Ca -0.01 -4.21 -0.03 0.00 -1.94 0.00 0.00 57.00 50.81 1xax n GLN 33 Cb 0.03 -2.27 0.05 0.00 0.11 0.00 0.00 30.24 28.16 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1xax h PRO 34 N 2.43 0.16 -0.28 -1.09 0.13 -1.72 -2.68 132.00 128.95 1xax h PRO 34 Ca 0.37 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.31 1xax h PRO 34 Cb 1.07 -0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.03 1xax h PRO 34 CO 0.92 0.11 -0.43 0.39 -0.23 0.00 0.00 178.00 178.76 1xax n GLU 35 N -5.16 2.11 0.00 0.86 1.02 -1.26 -5.02 120.64 113.19 1xax n GLU 35 Ca 0.04 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1xax n GLU 35 Cb 0.23 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 -1.03 3.21 3.59 0.62 0.00 -1.01 -5.15 105.19 105.43 1xax n GLY 36 Ca 0.29 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 1xax n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xax n ASN 37 N 0.00 1.19 -4.80 1.61 5.15 -1.26 -4.69 115.26 112.45 1xax n ASN 37 Ca 0.00 -2.02 -0.34 0.00 -0.60 0.00 0.00 54.58 51.62 1xax n ASN 37 Cb 0.00 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 38.60 1xax n ASN 37 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1xax s GLU 38 N -4.94 3.85 0.20 1.20 2.12 -1.26 -3.80 118.70 116.07 1xax s GLU 38 Ca 0.62 1.28 -0.09 0.00 0.36 0.00 0.00 54.97 57.14 1xax s GLU 38 Cb -0.03 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 1xax s GLU 38 CO 0.41 -0.38 0.32 0.08 -0.54 0.00 0.00 175.26 175.16 1xax s VAL 39 N -2.10 0.03 -0.33 3.70 1.01 0.78 -4.79 120.40 118.69 1xax s VAL 39 Ca 0.65 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1xax s VAL 39 Cb -0.14 -2.14 0.13 0.00 0.00 0.00 0.00 36.38 34.23 1xax s VAL 39 CO 0.21 -0.11 0.19 -0.70 0.00 0.00 0.00 175.10 174.69 1xax s GLU 40 N -4.03 0.44 -0.35 2.72 -6.30 -1.25 0.14 118.70 110.07 1xax s GLU 40 Ca 0.24 -1.08 0.03 0.00 -2.50 0.00 0.00 54.97 51.67 1xax s GLU 40 Cb 0.03 -1.23 0.10 0.00 0.00 0.00 0.00 34.13 33.03 1xax s GLU 40 CO 0.06 -1.16 0.07 1.41 0.02 0.00 0.00 175.26 175.67 1xax s MET 41 N 1.38 1.43 -0.13 4.30 1.75 0.31 0.49 119.30 128.83 1xax s MET 41 Ca 0.15 -1.85 -0.07 0.00 -1.25 0.00 0.00 55.69 52.68 1xax s MET 41 Cb -0.21 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.36 1xax s MET 41 CO -0.10 -0.96 0.12 0.99 -0.65 0.00 0.00 175.02 174.42 1xax s THR 42 N 0.88 5.30 0.01 10.11 2.01 0.12 -0.30 115.64 133.78 1xax s THR 42 Ca 0.11 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1xax s THR 42 Cb -0.19 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1xax s THR 42 CO -0.09 0.58 -0.00 0.68 -0.69 0.00 0.00 174.62 175.09 1xax s VAL 43 N -0.67 0.09 -0.02 3.82 -7.23 0.11 -1.00 120.40 115.50 1xax s VAL 43 Ca 0.13 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 1xax s VAL 43 Cb -0.12 -0.26 0.01 0.00 0.56 0.00 0.00 36.38 36.57 1xax s VAL 43 CO 0.02 -0.43 0.06 -0.60 -0.31 0.00 0.00 175.10 173.85 1xax s ARG 44 N -1.28 0.07 -0.32 4.82 3.52 0.13 0.06 118.95 125.96 1xax s ARG 44 Ca -0.14 0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.57 1xax s ARG 44 Cb -0.09 0.03 0.10 0.00 -1.56 0.00 0.00 34.95 33.43 1xax s ARG 44 CO -0.01 -0.01 0.05 0.96 -0.81 0.00 0.00 175.30 175.49 1xax s ILE 45 N 0.05 1.81 0.19 4.11 -0.00 0.77 -0.24 121.20 127.88 1xax s ILE 45 Ca -0.00 -1.97 0.06 0.00 -0.00 0.00 0.00 60.65 58.73 1xax s ILE 45 Cb -0.01 -2.31 -0.05 0.00 -0.00 0.00 0.00 42.46 40.09 1xax s ILE 45 CO 0.00 -0.57 -0.10 0.54 -0.00 0.00 0.00 174.94 174.81 1xax s VAL 46 N 1.15 1.38 1.00 8.37 0.11 -0.47 -2.33 120.40 129.61 1xax s VAL 46 Ca 0.09 -2.11 -0.17 0.00 -2.93 0.00 0.00 61.98 56.86 1xax s VAL 46 Cb -0.18 -2.05 0.07 0.00 -1.53 0.00 0.00 36.38 32.69 1xax s VAL 46 CO -0.13 -0.59 -0.15 0.47 -3.33 0.00 0.00 175.10 171.37 1xax n ASP 47 N -0.33 -2.72 0.11 3.54 8.00 -1.26 -3.94 116.55 119.95 1xax n ASP 47 Ca -0.08 -0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.16 1xax n ASP 47 Cb 0.61 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.14 -0.29 -0.61 -1.24 4.81 -1.97 -2.69 114.58 110.45 1xax h GLU 48 Ca -0.34 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1xax h GLU 48 Cb 1.01 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.36 1xax h GLU 48 CO 0.22 -0.20 0.05 0.00 -0.73 0.00 0.00 179.01 178.36 1xax h ALA 49 N -1.67 0.65 0.33 2.92 0.00 -1.99 -0.74 119.26 118.78 1xax h ALA 49 Ca -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xax h ALA 49 Cb 0.23 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xax h ALA 49 CO 0.05 -0.37 -0.39 1.49 0.00 0.00 0.00 179.25 180.03 1xax h GLU 50 N 0.16 -0.71 -0.06 0.00 4.57 -1.93 0.31 114.58 116.92 1xax h GLU 50 Ca 0.32 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.59 1xax h GLU 50 Cb 0.52 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.21 1xax h GLU 50 CO -0.49 -0.47 -0.42 0.66 -1.18 0.00 0.00 179.01 177.11 1xax h SER 51 N -0.74 -1.31 -0.46 1.04 4.64 -1.15 0.87 113.55 116.45 1xax h SER 51 Ca -0.04 0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.54 1xax h SER 51 Cb 0.65 0.52 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 1xax h SER 51 CO -0.08 -0.45 -0.12 0.45 -0.87 0.00 0.00 176.83 175.77 1xax h HIS 52 N -0.54 -0.26 -0.60 4.77 3.86 -1.04 0.19 115.15 121.54 1xax h HIS 52 Ca 0.06 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1xax h HIS 52 Cb 0.64 0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.27 1xax h HIS 52 CO -0.46 -0.20 0.27 0.93 0.86 0.00 0.00 177.93 179.34 1xax h GLU 53 N -0.01 0.87 -0.47 2.45 4.39 0.30 0.73 114.58 122.85 1xax h GLU 53 Ca 0.22 -0.14 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1xax h GLU 53 Cb 0.34 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 1xax h GLU 53 CO -0.47 0.71 0.14 1.25 -1.16 0.00 0.00 179.01 179.48 1xax h LEU 54 N 0.82 0.12 0.26 1.33 7.12 0.26 0.82 115.31 126.04 1xax h LEU 54 Ca 0.20 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.26 1xax h LEU 54 Cb 0.14 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1xax h LEU 54 CO -0.02 0.10 -0.13 0.78 -0.13 0.00 0.00 178.44 179.04 1xax h ASN 55 N 0.30 -0.30 0.34 1.25 2.35 -0.44 -2.95 115.58 116.13 1xax h ASN 55 Ca 0.22 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1xax h ASN 55 Cb 0.25 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xax h ASN 55 CO -0.25 0.18 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.61 1xax h LEU 56 N -0.91 0.00 0.01 1.61 4.07 -0.76 0.52 115.31 119.85 1xax h LEU 56 Ca -0.04 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.68 1xax h LEU 56 Cb 0.50 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1xax h LEU 56 CO 0.06 0.03 -1.23 0.00 -1.08 0.00 0.00 178.44 176.22 1xax h THR 57 N 0.00 1.44 -0.04 0.22 1.03 0.64 -3.06 112.91 113.14 1xax h THR 57 Ca -0.00 -3.18 0.00 0.00 -0.01 0.00 0.00 66.41 63.22 1xax h THR 57 Cb 0.21 2.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 1xax h THR 57 CO 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 175.52 176.35 1xax n TYR 58 N -3.28 0.04 0.00 0.00 4.11 -1.02 -4.84 117.16 112.18 1xax n TYR 58 Ca -0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 57.90 57.76 1xax n TYR 58 Cb 0.98 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 40.31 1xax n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1xax n ARG 59 N 0.33 0.00 -1.55 -3.48 0.00 0.16 -5.05 116.66 107.07 1xax n ARG 59 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1xax n ARG 59 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.53 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 -0.37 0.96 0.00 5.14 0.00 0.03 -4.92 105.19 106.03 1xax n GLY 60 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.51 -0.55 0.00 1.61 4.81 -1.23 -4.83 118.16 117.45 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xax n LYS 61 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xax n ASP 62 N -1.64 0.00 -3.20 3.14 -0.08 -1.26 -4.75 116.55 108.76 1xax n ASP 62 Ca 0.00 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.10 1xax n ASP 62 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xax n ARG 63 N 0.00 0.62 -0.78 -0.67 5.12 -1.26 -4.85 116.66 114.84 1xax n ARG 63 Ca 0.00 -2.58 -0.12 0.00 -1.93 0.00 0.00 57.85 53.22 1xax n ARG 63 Cb 0.00 1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 32.68 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1xax n PRO 64 N -0.66 0.00 -0.37 5.56 -0.02 -1.26 -4.83 135.00 133.41 1xax n PRO 64 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1xax n PRO 64 Cb 0.46 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 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 2.87 0.00 0.00 3.45 5.66 -1.26 -5.09 114.28 119.90 1xax n THR 65 Ca 0.35 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 1xax n THR 65 Cb 0.07 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 67.98 1xax n THR 65 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1xax n ASN 66 N -0.90 1.64 -3.36 1.09 6.94 -1.26 -4.96 115.26 114.44 1xax n ASN 66 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.30 1xax n ASN 66 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 1xax n ASN 66 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1xax n VAL 67 N -2.62 -1.16 -2.91 3.53 0.31 -1.26 -3.40 118.33 110.83 1xax n VAL 67 Ca 0.00 -3.39 -0.40 0.00 -0.01 0.00 0.00 64.34 60.54 1xax n VAL 67 Cb 0.41 -1.59 -0.06 0.00 -0.91 0.00 0.00 33.84 31.69 1xax n VAL 67 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1xax s LEU 68 N 0.00 4.59 0.00 7.52 2.96 -0.94 -4.90 118.68 127.91 1xax s LEU 68 Ca 0.33 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1xax s LEU 68 Cb 0.05 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.35 1xax s LEU 68 CO -0.19 0.16 0.00 -1.54 -1.32 0.00 0.00 176.35 173.46 1xax n SER 69 N 1.79 1.64 -3.05 3.68 3.41 -1.26 0.04 113.62 119.87 1xax n SER 69 Ca -0.04 -1.01 -0.11 0.00 -0.26 0.00 0.00 58.87 57.45 1xax n SER 69 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1xax n SER 69 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xax s PHE 70 N -0.64 -0.76 0.52 7.33 0.40 0.12 -4.71 117.98 120.22 1xax s PHE 70 Ca 0.00 -0.97 -0.18 0.00 -0.60 0.00 0.00 56.93 55.18 1xax s PHE 70 Cb -0.00 -0.09 -0.07 0.00 0.51 0.00 0.00 43.02 43.37 1xax s PHE 70 CO 0.00 -1.11 1.01 -1.25 0.70 0.00 0.00 175.22 174.57 1xax s PRO 71 N 0.83 3.78 1.16 0.24 0.04 -1.26 -0.06 135.00 139.72 1xax s PRO 71 Ca 0.28 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.29 1xax s PRO 71 Cb -0.01 -2.10 0.27 0.00 0.04 0.00 0.00 34.50 32.70 1xax s PRO 71 CO -0.09 -0.43 1.17 -0.59 0.04 0.00 0.00 177.00 177.11 1xax s PHE 72 N -2.33 0.61 0.40 0.56 -0.71 -1.26 -4.91 117.98 110.34 1xax s PHE 72 Ca 0.63 0.40 -0.27 0.00 -1.04 0.00 0.00 56.93 56.65 1xax s PHE 72 Cb -0.13 -3.66 -0.10 0.00 -1.21 0.00 0.00 43.02 37.93 1xax s PHE 72 CO 0.27 -3.66 1.43 -1.83 -1.34 0.00 0.00 175.22 170.09 1xax s GLU 73 N -5.58 3.98 -0.60 1.99 -1.05 -1.26 -4.98 118.70 111.20 1xax s GLU 73 Ca 0.72 2.44 -0.02 0.00 -0.15 0.00 0.00 54.97 57.97 1xax s GLU 73 Cb -0.07 -2.85 0.15 0.00 -0.44 0.00 0.00 34.13 30.92 1xax s GLU 73 CO 0.55 -0.59 0.40 0.00 0.95 0.00 0.00 175.26 176.58 1xax n PRO 75 N 3.42 0.00 0.00 0.00 -0.04 -1.26 -5.04 135.00 132.09 1xax n PRO 75 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1xax n PRO 75 Cb 0.37 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 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 0.00 0.00 -0.06 3.54 8.00 -1.26 -5.00 116.55 121.77 1xax n ASP 76 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1xax n ASP 76 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.42 1.48 0.00 -1.24 4.71 -1.26 -4.99 120.64 118.91 1xax n GLU 77 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1xax n GLU 77 Cb 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 1xax n GLU 77 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1xax n VAL 78 N -2.60 0.00 -2.30 2.62 0.31 -1.26 -4.73 118.33 110.37 1xax n VAL 78 Ca -0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.10 1xax n VAL 78 Cb 0.81 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.75 1xax n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xax n GLU 79 N 0.00 -1.86 -3.62 5.55 1.02 -1.26 -5.09 120.64 115.38 1xax n GLU 79 Ca 0.00 1.74 -0.04 0.00 -0.02 0.00 0.00 57.16 58.84 1xax n GLU 79 Cb 0.00 -3.94 -0.03 0.00 -0.02 0.00 0.00 31.44 27.45 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 -1.51 -0.10 0.30 -4.62 -0.00 -1.26 -4.97 118.68 106.52 1xax s LEU 80 Ca 0.08 0.06 -0.29 0.00 -0.00 0.00 0.00 54.13 53.98 1xax s LEU 80 Cb -0.02 1.26 -0.10 0.00 -0.00 0.00 0.00 46.19 47.33 1xax s LEU 80 CO 0.49 -0.13 1.12 -2.16 -0.00 0.00 0.00 176.35 175.67 1xax s PRO 81 N -1.66 4.55 -0.26 1.48 0.04 -1.26 -4.39 135.00 133.50 1xax s PRO 81 Ca 0.08 1.83 -0.28 0.00 0.04 0.00 0.00 61.00 62.67 1xax s PRO 81 Cb -0.01 -3.11 0.18 0.00 0.04 0.00 0.00 34.50 31.60 1xax s PRO 81 CO -0.05 0.12 1.29 -0.48 0.04 0.00 0.00 177.00 177.93 1xax s LEU 82 N -1.61 -0.12 0.00 -3.56 -0.00 -1.26 -4.67 118.68 107.46 1xax s LEU 82 Ca 0.46 0.16 0.00 0.00 -0.00 0.00 0.00 54.13 54.75 1xax s LEU 82 Cb -0.32 1.27 0.00 0.00 -0.00 0.00 0.00 46.19 47.14 1xax s LEU 82 CO 0.41 -0.09 0.00 0.18 -0.00 0.00 0.00 176.35 176.85 1xax n LEU 83 N 0.84 0.00 0.00 1.48 7.99 0.18 -4.90 117.00 122.59 1xax n LEU 83 Ca -0.04 -0.19 0.00 0.00 -0.01 0.00 0.00 56.01 55.77 1xax n LEU 83 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1xax n LEU 83 CO 0.07 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.56 1xax n GLY 84 N 1.16 -0.07 3.89 -0.72 0.00 -0.90 -4.69 105.19 103.87 1xax n GLY 84 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 5.55 0.03 1.61 -1.08 0.91 0.13 116.67 119.82 1xax s ASP 85 Ca 0.00 -0.35 -0.01 0.00 -0.52 0.00 0.00 52.55 51.67 1xax s ASP 85 Cb 0.00 -1.15 -0.02 0.00 -1.46 0.00 0.00 42.92 40.29 1xax s ASP 85 CO 0.00 -0.31 -0.01 -0.22 0.52 0.00 0.00 175.17 175.14 1xax s LEU 86 N -4.02 2.26 -0.37 -1.34 2.96 -0.17 0.11 118.68 118.11 1xax s LEU 86 Ca 0.40 -0.64 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1xax s LEU 86 Cb -0.07 0.19 0.15 0.00 0.50 0.00 0.00 46.19 46.96 1xax s LEU 86 CO 0.28 -0.41 0.34 -0.69 -1.32 0.00 0.00 176.35 174.54 1xax s VAL 87 N -2.27 -0.22 0.22 1.68 1.01 0.11 0.23 120.40 121.15 1xax s VAL 87 Ca -0.08 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 60.80 1xax s VAL 87 Cb -0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1xax s VAL 87 CO -0.04 -0.68 0.19 -0.63 0.00 0.00 0.00 175.10 173.94 1xax s ILE 88 N 1.35 4.55 -0.25 2.22 1.09 0.66 -2.21 121.20 128.61 1xax s ILE 88 Ca 0.17 -1.25 -0.20 0.00 -1.10 0.00 0.00 60.65 58.27 1xax s ILE 88 Cb -0.17 -3.41 -0.02 0.00 -1.06 0.00 0.00 42.46 37.80 1xax s ILE 88 CO -0.03 -0.27 0.63 0.00 -0.10 0.00 0.00 174.94 175.18 1xax n ARG 90 N 5.66 0.35 0.03 0.00 0.00 -1.25 -3.33 116.66 118.12 1xax n ARG 90 Ca -0.01 0.08 -0.19 0.00 -0.00 0.00 0.00 57.85 57.73 1xax n ARG 90 Cb 0.49 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.33 1xax n ARG 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 1xax h GLN 91 N 0.00 0.44 0.01 -0.14 3.07 -1.91 -2.80 115.11 113.77 1xax h GLN 91 Ca 0.00 -0.55 -0.01 0.00 0.09 0.00 0.00 58.65 58.19 1xax h GLN 91 Cb 0.16 0.17 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1xax h GLN 91 CO 0.00 1.20 -0.04 -0.39 0.09 0.00 0.00 178.83 179.69 1xax h VAL 92 N -0.08 1.78 -0.24 1.86 -1.51 -1.95 -2.77 116.25 113.35 1xax h VAL 92 Ca -0.12 -2.36 -0.02 0.00 -1.23 0.00 0.00 66.70 62.98 1xax h VAL 92 Cb 1.52 3.38 -0.01 0.00 -2.13 0.00 0.00 31.29 34.06 1xax h VAL 92 CO 0.15 0.61 0.08 -0.37 -1.23 0.00 0.00 177.57 176.82 1xax h VAL 93 N -0.97 1.18 -0.34 7.19 -1.51 -1.74 0.82 116.25 120.88 1xax h VAL 93 Ca -0.01 -0.56 -0.03 0.00 -1.23 0.00 0.00 66.70 64.87 1xax h VAL 93 Cb 1.03 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1xax h VAL 93 CO 0.01 0.18 0.07 -0.08 -1.23 0.00 0.00 177.57 176.52 1xax h GLU 94 N 0.22 0.50 -0.03 5.19 4.57 -1.66 0.26 114.58 123.63 1xax h GLU 94 Ca 0.08 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1xax h GLU 94 Cb 0.20 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1xax h GLU 94 CO -0.00 0.47 -0.00 -0.09 -1.18 0.00 0.00 179.01 178.21 1xax h ARG 95 N 0.49 0.06 -0.45 1.92 2.43 -1.15 0.78 114.38 118.48 1xax h ARG 95 Ca 0.12 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1xax h ARG 95 Cb 0.21 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1xax h ARG 95 CO -0.00 0.38 0.24 1.49 -1.51 0.00 0.00 179.97 180.57 1xax h GLU 96 N -0.26 0.62 -0.19 0.20 4.81 -0.43 0.27 114.58 119.61 1xax h GLU 96 Ca 0.01 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1xax h GLU 96 Cb 0.35 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1xax h GLU 96 CO 0.00 0.50 0.02 0.00 -0.73 0.00 0.00 179.01 178.80 1xax h ALA 97 N 1.09 0.25 -0.86 2.92 0.00 -0.44 0.26 119.26 122.47 1xax h ALA 97 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xax h ALA 97 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xax h ALA 97 CO -0.02 -0.07 0.55 1.03 0.00 0.00 0.00 179.25 180.74 1xax h SER 98 N 0.09 1.01 0.62 0.00 0.87 0.79 0.26 113.55 117.20 1xax h SER 98 Ca 0.05 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.44 1xax h SER 98 Cb 0.34 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1xax h SER 98 CO 0.01 0.76 -0.63 -0.08 -0.53 0.00 0.00 176.83 176.35 1xax h GLU 99 N 1.18 0.01 0.00 2.24 4.81 -0.32 -2.94 114.58 119.55 1xax h GLU 99 Ca 0.31 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1xax h GLU 99 Cb -0.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1xax h GLU 99 CO -0.06 0.64 -0.14 1.96 -0.73 0.00 0.00 179.01 180.68 1xax h GLN 100 N 0.01 0.00 -4.81 1.92 4.20 0.36 -3.48 115.11 113.31 1xax h GLN 100 Ca -0.01 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.39 1xax h GLN 100 Cb 1.12 0.00 0.11 0.00 0.30 0.00 0.00 27.48 29.01 1xax h GLN 100 CO 0.08 0.14 -0.54 0.39 -0.67 0.00 0.00 178.83 178.23 1xax n GLU 101 N -3.14 -6.24 -4.00 1.46 -0.58 0.84 -5.02 120.64 103.96 1xax n GLU 101 Ca 0.03 0.65 -0.23 0.00 -0.42 0.00 0.00 57.16 57.20 1xax n GLU 101 Cb 0.58 -5.16 -0.06 0.00 -0.57 0.00 0.00 31.44 26.23 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 -5.99 2.41 0.22 3.49 3.01 -1.15 -5.07 119.74 116.66 1xax s LYS 102 Ca 0.44 -1.56 -0.31 0.00 -1.01 0.00 0.00 55.97 53.53 1xax s LYS 102 Cb -0.19 -2.21 -0.10 0.00 -1.01 0.00 0.00 37.83 34.31 1xax s LYS 102 CO 0.57 0.03 1.55 -1.25 0.51 0.00 0.00 175.35 176.77 1xax s PRO 103 N -3.91 4.20 0.39 -1.68 0.04 -1.26 -4.84 135.00 127.94 1xax s PRO 103 Ca 0.40 2.41 0.18 0.00 0.04 0.00 0.00 61.00 64.03 1xax s PRO 103 Cb -0.02 -3.11 0.80 0.00 0.04 0.00 0.00 34.50 32.21 1xax s PRO 103 CO 0.24 -0.57 1.81 -0.07 0.04 0.00 0.00 177.00 178.45 1xax h LEU 104 N 5.93 0.00 -0.32 -3.56 -0.00 -1.98 -2.89 115.31 112.49 1xax h LEU 104 Ca -0.44 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.48 1xax h LEU 104 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.83 1xax h LEU 104 CO 0.86 0.35 0.07 -0.03 -0.00 0.00 0.00 178.44 179.69 1xax h MET 105 N 0.00 0.18 -0.14 1.13 4.05 -2.00 -2.15 114.93 116.00 1xax h MET 105 Ca -0.00 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1xax h MET 105 Cb 0.74 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1xax h MET 105 CO 0.05 0.12 -0.28 0.00 0.23 0.00 0.00 176.91 177.02 1xax h ALA 106 N 1.23 0.22 -0.62 0.39 0.00 -1.95 -2.81 119.26 115.72 1xax h ALA 106 Ca 0.15 -0.40 0.12 0.00 0.00 0.00 0.00 54.91 54.77 1xax h ALA 106 Cb 0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.79 1xax h ALA 106 CO -0.19 0.23 -0.25 1.25 0.00 0.00 0.00 179.25 180.29 1xax h HIS 107 N 0.05 -0.65 -0.35 0.00 6.17 -1.29 0.27 115.15 119.34 1xax h HIS 107 Ca 0.00 0.07 -0.04 0.00 0.71 0.00 0.00 60.37 61.11 1xax h HIS 107 Cb 0.88 0.38 -0.01 0.00 2.52 0.00 0.00 27.41 31.17 1xax h HIS 107 CO 0.10 -0.34 0.06 -1.49 0.71 0.00 0.00 177.93 176.97 1xax h TRP 108 N -0.09 0.61 -0.56 5.26 6.55 -1.46 0.83 115.95 127.09 1xax h TRP 108 Ca 0.27 -0.08 0.08 0.00 0.95 0.00 0.00 58.89 60.11 1xax h TRP 108 Cb 0.52 -0.17 -0.06 0.00 -0.86 0.00 0.00 29.16 28.59 1xax h TRP 108 CO -0.59 0.63 0.23 0.00 -1.05 0.00 0.00 178.44 177.66 1xax h ALA 109 N 0.91 0.72 0.13 1.49 0.00 -0.85 0.28 119.26 121.93 1xax h ALA 109 Ca 0.11 0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 1xax h ALA 109 Cb 0.35 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xax h ALA 109 CO 0.01 -0.17 -1.25 1.25 0.00 0.00 0.00 179.25 179.09 1xax h HIS 110 N 0.43 0.90 0.13 0.00 -0.00 -0.42 -3.06 115.15 113.13 1xax h HIS 110 Ca 0.27 -0.58 0.01 0.00 -0.00 0.00 0.00 60.37 60.07 1xax h HIS 110 Cb 0.29 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 1xax h HIS 110 CO -0.15 1.43 -0.22 0.52 -0.00 0.00 0.00 177.93 179.51 1xax h MET 111 N 0.23 -0.41 -0.00 5.26 2.07 0.12 0.22 114.93 122.42 1xax h MET 111 Ca -0.18 0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.50 1xax h MET 111 Cb 1.92 0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 31.71 1xax h MET 111 CO 0.23 -0.27 -0.15 -0.39 1.07 0.00 0.00 176.91 177.40 1xax h VAL 112 N -0.42 0.63 -0.56 -2.22 -1.51 -0.57 0.38 116.25 111.97 1xax h VAL 112 Ca 0.02 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.53 1xax h VAL 112 Cb 0.43 0.63 -0.04 0.00 -2.13 0.00 0.00 31.29 30.18 1xax h VAL 112 CO -0.11 0.00 0.31 0.58 -1.23 0.00 0.00 177.57 177.13 1xax h VAL 113 N -0.25 1.00 0.37 7.19 2.07 -1.40 0.11 116.25 125.34 1xax h VAL 113 Ca 0.05 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xax h VAL 113 Cb 0.31 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1xax h VAL 113 CO -0.15 0.11 -0.18 1.12 0.02 0.00 0.00 177.57 178.49 1xax h HIS 114 N 0.61 -0.46 0.00 1.57 2.07 -0.17 -1.97 115.15 116.80 1xax h HIS 114 Ca 0.24 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.75 1xax h HIS 114 Cb 0.10 0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.24 1xax h HIS 114 CO -0.08 -0.28 0.00 0.78 -3.07 0.00 0.00 177.93 175.27 1xax h GLY 115 N -0.51 0.00 0.05 6.13 0.00 -0.66 0.11 103.07 108.19 1xax h GLY 115 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xax h GLY 115 CO 0.08 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.36 1xax h SER 116 N 0.00 -0.05 0.10 0.19 0.02 -0.24 -3.33 113.55 110.24 1xax h SER 116 Ca 0.00 -0.08 -0.22 0.00 -0.84 0.00 0.00 61.79 60.65 1xax h SER 116 Cb 0.26 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1xax h SER 116 CO 0.00 0.48 -1.09 0.25 -1.14 0.00 0.00 176.83 175.32 1xax h LEU 117 N -1.01 0.34 -2.48 5.07 6.46 -1.38 -3.27 115.31 119.03 1xax h LEU 117 Ca -0.01 -0.87 0.01 0.00 -0.12 0.00 0.00 57.88 56.89 1xax h LEU 117 Cb 0.13 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1xax h LEU 117 CO 0.01 1.48 0.17 -0.74 -0.62 0.00 0.00 178.44 178.74 1xax h HIS 118 N -0.45 0.00 0.00 1.25 2.76 -0.95 0.71 115.15 118.47 1xax h HIS 118 Ca -0.23 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.80 1xax h HIS 118 Cb 1.62 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.55 1xax h HIS 118 CO 0.16 0.00 -1.64 -0.11 -1.30 0.00 0.00 177.93 175.04 1xax n LEU 119 N -3.07 0.54 0.02 0.26 0.00 -1.25 -4.80 117.00 108.70 1xax n LEU 119 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 56.01 56.22 1xax n LEU 119 Cb 0.23 0.11 0.00 0.00 0.00 0.00 0.00 43.42 43.76 1xax n LEU 119 CO 0.18 0.12 -0.19 0.00 0.00 0.00 0.00 177.39 177.50 1xax n LEU 120 N -2.70 0.11 0.00 -1.96 -0.00 -0.47 -5.05 117.00 106.93 1xax n LEU 120 Ca -0.11 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1xax n LEU 120 Cb 0.79 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.22 1xax n LEU 120 CO 0.43 -0.37 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 1xax n GLY 121 N 2.32 0.78 0.00 1.47 0.00 0.24 -4.96 105.19 105.03 1xax n GLY 121 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.75 1.61 4.01 -1.26 -3.02 117.16 117.75 1xax n TYR 122 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1xax n TYR 122 Cb 0.00 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.55 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xax n ASP 123 N -1.46 5.75 0.10 7.72 2.03 -1.26 -4.41 116.55 125.01 1xax n ASP 123 Ca 0.00 -2.67 -0.07 0.00 0.52 0.00 0.00 54.79 52.57 1xax n ASP 123 Cb 0.02 -1.15 -0.04 0.00 -0.72 0.00 0.00 41.12 39.23 1xax n ASP 123 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1xax h HIS 124 N 1.54 -0.32 -3.37 -0.67 2.07 -1.91 -3.44 115.15 109.05 1xax h HIS 124 Ca 0.14 -0.01 -0.55 0.00 -2.85 0.00 0.00 60.37 57.10 1xax h HIS 124 Cb 1.02 0.10 -0.04 0.00 2.57 0.00 0.00 27.41 31.07 1xax h HIS 124 CO 0.69 -0.09 0.21 0.96 -3.07 0.00 0.00 177.93 176.64 1xax s ILE 125 N -2.95 4.97 -2.18 6.12 -4.36 -1.26 -4.94 121.20 116.61 1xax s ILE 125 Ca -0.08 1.68 0.26 0.00 -0.26 0.00 0.00 60.65 62.25 1xax s ILE 125 Cb 0.00 -4.15 0.65 0.00 1.25 0.00 0.00 42.46 40.22 1xax s ILE 125 CO 0.26 0.20 1.87 -1.84 0.24 0.00 0.00 174.94 175.67 1xax n GLU 126 N 3.95 1.30 -0.00 0.37 0.00 -1.26 -1.24 120.64 123.75 1xax n GLU 126 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 57.16 56.74 1xax n GLU 126 Cb 0.51 -1.43 -0.00 0.00 0.00 0.00 0.00 31.44 30.52 1xax n GLU 126 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1xax h ASP 127 N 1.00 0.00 0.00 -1.84 1.82 -1.98 -3.43 116.42 111.99 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1xax h ASP 127 Cb 0.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1xax h ASP 127 CO 0.00 0.02 0.00 0.47 -1.61 0.00 0.00 179.24 178.12 1xax n ASP 128 N -2.29 0.00 -0.40 2.28 9.92 -1.26 -4.49 116.55 120.31 1xax n ASP 128 Ca -0.00 0.00 0.36 0.00 -0.53 0.00 0.00 54.79 54.62 1xax n ASP 128 Cb 0.01 0.00 0.64 0.00 -0.64 0.00 0.00 41.12 41.12 1xax n ASP 128 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1xax h GLU 129 N 0.00 0.00 0.00 -1.24 4.39 -1.77 -0.08 114.58 115.89 1xax h GLU 129 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xax h GLU 129 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xax h GLU 129 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1xax n ALA 130 N -2.40 -0.14 -0.23 3.43 0.00 -0.38 0.14 120.51 120.94 1xax n ALA 130 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 1xax n ALA 130 Cb 1.44 0.13 0.10 0.00 0.00 0.00 0.00 19.45 21.12 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 0.64 0.31 0.00 5.08 -1.67 0.18 114.58 119.12 1xax h GLU 131 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xax h GLU 131 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1xax h GLU 131 CO 0.00 0.42 -0.38 0.93 -1.00 0.00 0.00 179.01 178.98 1xax h GLU 132 N 0.66 -0.68 -0.78 2.33 4.39 -0.95 0.18 114.58 119.73 1xax h GLU 132 Ca 0.31 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.14 1xax h GLU 132 Cb 0.23 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1xax h GLU 132 CO -0.20 -0.45 0.43 0.52 -1.16 0.00 0.00 179.01 178.15 1xax h MET 133 N -0.71 0.72 0.30 2.33 2.86 0.15 0.84 114.93 121.43 1xax h MET 133 Ca -0.04 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xax h MET 133 Cb 0.63 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1xax h MET 133 CO -0.08 0.48 -0.50 0.93 1.06 0.00 0.00 176.91 178.80 1xax h GLU 134 N 0.74 -0.82 -0.52 1.72 5.08 -0.22 0.46 114.58 121.03 1xax h GLU 134 Ca 0.37 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1xax h GLU 134 Cb 0.33 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1xax h GLU 134 CO -0.24 -0.55 0.27 0.77 -1.00 0.00 0.00 179.01 178.27 1xax h SER 135 N -0.85 0.64 0.65 1.42 0.02 -0.20 0.89 113.55 116.12 1xax h SER 135 Ca -0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1xax h SER 135 Cb 0.79 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1xax h SER 135 CO -0.17 0.53 -0.50 0.25 -1.14 0.00 0.00 176.83 175.80 1xax h LEU 136 N 0.72 -1.31 -1.03 5.07 7.12 0.18 0.35 115.31 126.41 1xax h LEU 136 Ca 0.19 0.09 -0.05 0.00 0.13 0.00 0.00 57.88 58.23 1xax h LEU 136 Cb 0.04 0.41 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 1xax h LEU 136 CO -0.03 -0.71 0.13 -0.08 -0.13 0.00 0.00 178.44 177.63 1xax h GLU 137 N -1.10 0.83 -0.15 1.25 4.81 0.08 -2.37 114.58 117.93 1xax h GLU 137 Ca -0.08 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1xax h GLU 137 Cb 0.91 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1xax h GLU 137 CO 0.02 0.74 -0.27 0.00 -0.73 0.00 0.00 179.01 178.78 1xax h THR 138 N 0.80 1.25 -0.09 0.32 1.03 -0.57 0.36 112.91 116.02 1xax h THR 138 Ca 0.18 -1.18 -0.22 0.00 -0.01 0.00 0.00 66.41 65.17 1xax h THR 138 Cb 0.29 1.44 0.01 0.00 -1.07 0.00 0.00 68.15 68.81 1xax h THR 138 CO -0.00 0.36 -0.83 -0.61 -0.01 0.00 0.00 175.52 174.43 1xax h GLN 139 N 0.25 0.63 0.06 0.00 5.75 0.12 0.33 115.11 122.25 1xax h GLN 139 Ca 0.04 -0.56 -0.28 0.00 -0.15 0.00 0.00 58.65 57.70 1xax h GLN 139 Cb 0.61 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1xax h GLN 139 CO 0.04 1.17 -1.46 -0.84 -2.65 0.00 0.00 178.83 175.10 1xax h ILE 140 N 0.41 1.20 0.03 2.39 3.07 -1.31 -1.86 117.51 121.44 1xax h ILE 140 Ca -0.06 -2.91 -0.17 0.00 1.55 0.00 0.00 64.86 63.27 1xax h ILE 140 Cb 1.45 2.69 -0.02 0.00 -0.27 0.00 0.00 36.82 40.68 1xax h ILE 140 CO 0.16 0.78 -0.90 0.24 -1.05 0.00 0.00 178.15 177.38 1xax h MET 141 N 0.04 0.06 0.00 0.16 2.86 -0.35 -3.36 114.93 114.33 1xax h MET 141 Ca -0.20 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1xax h MET 141 Cb 1.96 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.65 1xax h MET 141 CO 0.13 1.05 -0.56 0.37 1.06 0.00 0.00 176.91 178.96 1xax h GLN 142 N -0.84 0.00 -0.13 1.72 4.15 -0.48 -2.19 115.11 117.35 1xax h GLN 142 Ca -0.23 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.06 1xax h GLN 142 Cb 1.32 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 1xax h GLN 142 CO -0.08 0.00 -0.49 0.78 -1.93 0.00 0.00 178.83 177.10 1xax h GLY 143 N 4.20 0.37 0.00 2.39 0.00 -1.01 -3.33 103.07 105.69 1xax h GLY 143 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1xax h GLY 143 CO 0.00 0.36 -0.38 1.47 0.00 0.00 0.00 176.54 177.98 1xax n LEU 144 N -3.96 0.09 -1.44 3.11 -0.00 -1.26 -5.04 117.00 108.50 1xax n LEU 144 Ca -0.02 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.62 1xax n LEU 144 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1xax n LEU 144 CO 0.44 0.02 -0.38 0.61 -0.00 0.00 0.00 177.39 178.08 1xax n GLY 145 N 1.40 -4.58 0.00 1.47 0.00 -0.82 -5.11 105.19 97.55 1xax n GLY 145 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01