#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 4.84 0.01 0.44 0.11 -0.16 -0.00 120.40 125.64 1xax s VAL 4 Ca 0.00 1.72 0.02 0.00 -2.93 0.00 0.00 61.98 60.79 1xax s VAL 4 Cb 0.00 -4.18 -0.01 0.00 -1.53 0.00 0.00 36.38 30.67 1xax s VAL 4 CO 0.00 -0.01 -0.06 -0.76 -3.33 0.00 0.00 175.10 170.95 1xax s LEU 5 N 2.30 2.06 0.02 2.54 1.02 0.12 -4.89 118.68 121.85 1xax s LEU 5 Ca 0.40 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.37 1xax s LEU 5 Cb -0.16 -0.25 -0.02 0.00 0.02 0.00 0.00 46.19 45.78 1xax s LEU 5 CO 0.12 0.01 -0.05 0.54 0.02 0.00 0.00 176.35 176.99 1xax s VAL 6 N -0.37 0.28 -0.19 -1.59 0.11 -1.26 0.27 120.40 117.65 1xax s VAL 6 Ca -0.00 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 1xax s VAL 6 Cb -0.04 -0.37 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1xax s VAL 6 CO -0.00 -0.38 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.45 1xax s ASP 7 N -1.29 3.22 -0.38 3.54 1.11 0.12 -4.87 116.67 118.12 1xax s ASP 7 Ca -0.11 -0.77 -0.18 0.00 0.18 0.00 0.00 52.55 51.67 1xax s ASP 7 Cb -0.09 -1.29 0.01 0.00 1.07 0.00 0.00 42.92 42.62 1xax s ASP 7 CO -0.00 -0.10 0.51 -0.76 1.18 0.00 0.00 175.17 176.00 1xax s LEU 8 N 1.38 4.50 -0.27 1.23 2.01 -1.26 0.06 118.68 126.33 1xax s LEU 8 Ca 0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 54.13 53.87 1xax s LEU 8 Cb -0.15 -2.55 0.02 0.00 0.01 0.00 0.00 46.19 43.52 1xax s LEU 8 CO -0.10 -0.56 -0.00 -1.58 1.01 0.00 0.00 176.35 175.12 1xax s GLN 9 N 2.40 2.91 -0.24 1.70 2.00 0.10 -4.93 119.66 123.60 1xax s GLN 9 Ca 0.18 -0.95 -0.10 0.00 -2.00 0.00 0.00 55.36 52.49 1xax s GLN 9 Cb -0.16 -3.14 -0.05 0.00 0.80 0.00 0.00 33.01 30.47 1xax s GLN 9 CO 0.14 -0.43 0.14 0.42 -0.50 0.00 0.00 175.29 175.07 1xax s ILE 10 N 1.39 5.21 0.00 -2.34 -1.09 -1.26 0.17 121.20 123.27 1xax s ILE 10 Ca 0.01 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1xax s ILE 10 Cb -0.17 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1xax s ILE 10 CO -0.02 0.35 0.00 0.00 -1.23 0.00 0.00 174.94 174.05 1xax n ALA 11 N 4.28 1.84 -1.13 9.38 0.00 0.19 -4.93 120.51 130.15 1xax n ALA 11 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 1xax n ALA 11 Cb 0.52 0.20 0.13 0.00 0.00 0.00 0.00 19.45 20.30 1xax n ALA 11 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1xax n THR 12 N -1.75 2.16 -0.12 0.00 5.66 -0.85 -4.91 114.28 114.47 1xax n THR 12 Ca 0.00 -0.22 -0.22 0.00 -3.05 0.00 0.00 64.05 60.57 1xax n THR 12 Cb 0.41 -1.22 -0.09 0.00 -1.55 0.00 0.00 70.33 67.88 1xax n THR 12 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1xax n GLU 13 N -3.26 0.53 -3.47 1.09 4.07 -1.26 -4.91 120.64 113.44 1xax n GLU 13 Ca 0.14 0.19 -0.40 0.00 -0.06 0.00 0.00 57.16 57.02 1xax n GLU 13 Cb 0.50 -1.39 -0.10 0.00 -0.06 0.00 0.00 31.44 30.39 1xax n GLU 13 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1xax s ASN 14 N -6.77 6.12 0.20 4.31 0.01 -1.26 -5.04 114.94 112.51 1xax s ASN 14 Ca -0.32 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 51.55 1xax s ASN 14 Cb 0.11 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.61 1xax s ASN 14 CO 0.46 -0.26 0.31 2.30 -1.51 0.00 0.00 177.10 178.40 1xax n ILE 15 N 5.16 0.00 -1.05 0.60 -6.64 -1.26 -5.01 119.36 111.17 1xax n ILE 15 Ca -0.11 -0.92 -0.25 0.00 -1.77 0.00 0.00 62.75 59.70 1xax n ILE 15 Cb 0.50 0.61 0.11 0.00 -1.44 0.00 0.00 39.64 39.42 1xax n ILE 15 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 1xax n GLU 16 N -0.32 2.24 0.00 6.28 2.13 -1.26 -4.89 120.64 124.82 1xax n GLU 16 Ca -0.01 -2.69 0.00 0.00 0.66 0.00 0.00 57.16 55.13 1xax n GLU 16 Cb 0.33 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xax n GLY 17 N -0.76 2.94 3.46 8.31 0.00 -1.26 -4.99 105.19 112.90 1xax n GLY 17 Ca 0.53 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 1.07 -4.65 0.99 7.99 -1.26 -4.80 117.00 116.34 1xax n LEU 18 Ca 0.00 0.15 -0.51 0.00 -0.01 0.00 0.00 56.01 55.64 1xax n LEU 18 Cb 0.00 -1.11 -0.06 0.00 -0.11 0.00 0.00 43.42 42.15 1xax n LEU 18 CO 0.00 -0.90 1.17 -2.65 -1.51 0.00 0.00 177.39 173.49 1xax n PRO 19 N 8.41 1.57 -3.33 3.23 -0.02 -1.26 -4.94 135.00 138.65 1xax n PRO 19 Ca 0.54 0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 62.22 1xax n PRO 19 Cb 0.16 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 1xax n PRO 19 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xax s THR 20 N 1.85 5.19 0.13 3.45 -4.23 -1.26 -4.96 115.64 115.81 1xax s THR 20 Ca 0.87 0.89 -0.17 0.00 -1.18 0.00 0.00 61.69 62.10 1xax s THR 20 Cb -0.87 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.16 1xax s THR 20 CO 0.49 0.30 1.74 1.05 -0.54 0.00 0.00 174.62 177.67 1xax h GLU 21 N 6.89 0.47 -0.32 3.99 -0.00 -1.92 -1.45 114.58 122.24 1xax h GLU 21 Ca -0.39 -0.05 0.07 0.00 -0.00 0.00 0.00 59.36 58.98 1xax h GLU 21 Cb 1.17 -0.09 -0.08 0.00 -0.00 0.00 0.00 28.75 29.75 1xax h GLU 21 CO 0.75 0.38 -0.32 0.93 -0.00 0.00 0.00 179.01 180.75 1xax h GLU 22 N 0.43 -0.28 0.76 1.06 5.08 -1.97 1.42 114.58 121.09 1xax h GLU 22 Ca 0.12 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1xax h GLU 22 Cb 0.04 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xax h GLU 22 CO -0.02 -0.18 -0.36 0.37 -1.00 0.00 0.00 179.01 177.81 1xax h GLN 23 N -0.29 -0.98 0.49 2.33 4.15 -1.95 0.14 115.11 119.00 1xax h GLN 23 Ca 0.15 0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 1xax h GLN 23 Cb 0.53 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1xax h GLN 23 CO -0.48 -0.65 -0.50 0.82 -1.93 0.00 0.00 178.83 176.09 1xax h ILE 24 N -1.10 0.00 0.11 2.39 2.04 -1.08 0.91 117.51 120.78 1xax h ILE 24 Ca -0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1xax h ILE 24 Cb 0.78 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1xax h ILE 24 CO 0.17 0.00 -0.48 0.58 0.00 0.00 0.00 178.15 178.42 1xax h VAL 25 N -0.99 0.07 -0.61 1.67 2.07 0.19 0.14 116.25 118.79 1xax h VAL 25 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1xax h VAL 25 Cb 0.86 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1xax h VAL 25 CO -0.07 0.00 0.35 -0.61 0.02 0.00 0.00 177.57 177.26 1xax h GLN 26 N -0.71 0.64 0.33 1.57 5.75 -0.66 0.44 115.11 122.47 1xax h GLN 26 Ca 0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1xax h GLN 26 Cb 0.73 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 1xax h GLN 26 CO -0.28 0.42 -0.45 2.35 -2.65 0.00 0.00 178.83 178.23 1xax h TRP 27 N 0.66 -1.25 0.00 3.99 2.91 0.15 0.11 115.95 122.52 1xax h TRP 27 Ca 0.26 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.30 1xax h TRP 27 Cb 0.12 0.50 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 1xax h TRP 27 CO -0.08 -0.56 0.00 0.00 -1.03 0.00 0.00 178.44 176.77 1xax n ALA 28 N -2.78 -0.00 0.09 2.65 0.00 0.45 -3.12 120.51 117.79 1xax n ALA 28 Ca -0.09 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.55 1xax n ALA 28 Cb 0.39 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.53 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 0.26 -0.31 0.00 2.02 -0.40 0.29 112.91 114.78 1xax h THR 29 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1xax h THR 29 Cb 0.00 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1xax h THR 29 CO 0.00 0.00 -0.46 1.23 0.37 0.00 0.00 175.52 176.66 1xax h GLY 30 N 0.00 0.93 0.93 2.16 0.00 0.12 -0.83 103.07 106.38 1xax h GLY 30 Ca 0.21 -1.04 0.15 0.00 0.00 0.00 0.00 47.33 46.65 1xax h GLY 30 CO -0.00 0.94 0.39 0.00 0.00 0.00 0.00 176.54 177.86 1xax h ALA 31 N 0.70 2.50 0.00 3.60 0.00 -0.35 0.19 119.26 125.90 1xax h ALA 31 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xax h ALA 31 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xax h ALA 31 CO 0.11 -0.66 -0.97 1.55 0.00 0.00 0.00 179.25 179.27 1xax n VAL 32 N -4.37 0.10 -0.39 0.00 3.14 -1.06 -4.52 118.33 111.24 1xax n VAL 32 Ca 0.10 -0.17 -0.04 0.00 -2.96 0.00 0.00 64.34 61.27 1xax n VAL 32 Cb 0.61 0.36 -0.00 0.00 -1.06 0.00 0.00 33.84 33.75 1xax n VAL 32 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1xax n GLN 33 N -1.81 -0.29 -0.27 1.45 -0.06 0.66 0.11 117.38 117.16 1xax n GLN 33 Ca 0.03 1.51 -0.01 0.00 -2.00 0.00 0.00 57.00 56.52 1xax n GLN 33 Cb 0.40 -2.24 0.05 0.00 -4.06 0.00 0.00 30.24 24.40 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1xax h PRO 34 N 0.00 -0.06 -1.00 3.69 0.13 -1.79 -1.81 132.00 131.15 1xax h PRO 34 Ca 0.29 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.84 1xax h PRO 34 Cb 0.53 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.27 1xax h PRO 34 CO -0.96 -0.04 -0.57 -1.91 -0.23 0.00 0.00 178.00 174.28 1xax n GLU 35 N -5.48 3.46 -2.89 0.86 4.07 -0.23 -5.02 120.64 115.40 1xax n GLU 35 Ca 0.08 -4.15 -0.42 0.00 -0.06 0.00 0.00 57.16 52.62 1xax n GLU 35 Cb 0.39 -2.27 -0.04 0.00 -0.06 0.00 0.00 31.44 29.45 1xax n GLU 35 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1xax s GLY 36 N -3.33 1.65 0.94 8.31 0.00 0.30 -4.79 107.32 110.41 1xax s GLY 36 Ca 0.52 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 1xax s GLY 36 CO -0.04 1.85 1.18 -2.01 0.00 0.00 0.00 173.10 174.09 1xax n ASN 37 N 6.42 -0.30 -4.67 1.64 2.85 -1.26 -3.95 115.26 115.99 1xax n ASN 37 Ca 0.05 -1.38 -0.42 0.00 -0.11 0.00 0.00 54.58 52.72 1xax n ASN 37 Cb 0.48 -0.93 -0.03 0.00 1.24 0.00 0.00 39.78 40.54 1xax n ASN 37 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1xax s GLU 38 N -5.59 4.22 -0.00 1.20 2.02 -1.26 -0.99 118.70 118.29 1xax s GLU 38 Ca 0.68 2.05 -0.28 0.00 0.02 0.00 0.00 54.97 57.44 1xax s GLU 38 Cb -0.03 -3.82 0.10 0.00 0.10 0.00 0.00 34.13 30.48 1xax s GLU 38 CO 0.49 -0.75 0.82 0.14 0.02 0.00 0.00 175.26 175.98 1xax s VAL 39 N 3.44 0.00 -0.17 2.63 -7.23 1.00 -4.36 120.40 115.71 1xax s VAL 39 Ca 0.68 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.80 1xax s VAL 39 Cb -0.31 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.69 1xax s VAL 39 CO 0.26 0.00 0.11 -1.83 -0.31 0.00 0.00 175.10 173.33 1xax s GLU 40 N -2.64 0.08 0.26 4.82 4.04 -1.23 0.16 118.70 124.19 1xax s GLU 40 Ca 0.01 -0.03 0.07 0.00 0.04 0.00 0.00 54.97 55.05 1xax s GLU 40 Cb -0.01 -1.73 -0.03 0.00 0.02 0.00 0.00 34.13 32.38 1xax s GLU 40 CO -0.05 -0.67 0.22 -1.64 -1.84 0.00 0.00 175.26 171.28 1xax s MET 41 N 2.17 2.96 -0.48 -4.83 -1.94 0.14 -0.59 119.30 116.74 1xax s MET 41 Ca 0.03 -1.04 0.06 0.00 -1.71 0.00 0.00 55.69 53.03 1xax s MET 41 Cb -0.16 -2.59 0.19 0.00 2.01 0.00 0.00 34.83 34.28 1xax s MET 41 CO -0.09 0.39 0.60 2.41 -0.01 0.00 0.00 175.02 178.31 1xax n THR 42 N -1.21 -0.44 -2.62 2.05 -1.04 0.37 0.16 114.28 111.55 1xax n THR 42 Ca -0.08 -1.91 -0.40 0.00 -2.04 0.00 0.00 64.05 59.62 1xax n THR 42 Cb 0.58 0.04 -0.05 0.00 -1.82 0.00 0.00 70.33 69.08 1xax n THR 42 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xax s VAL 43 N 0.55 3.80 -0.07 12.58 0.11 0.11 0.54 120.40 138.02 1xax s VAL 43 Ca 0.31 1.81 0.03 0.00 -2.93 0.00 0.00 61.98 61.20 1xax s VAL 43 Cb 0.02 -4.15 0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1xax s VAL 43 CO -0.11 0.43 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.80 1xax s ARG 44 N -1.27 2.08 -0.17 1.54 0.52 0.11 0.00 118.95 121.77 1xax s ARG 44 Ca 0.43 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 1xax s ARG 44 Cb -0.29 -1.67 -0.01 0.00 0.52 0.00 0.00 34.95 33.50 1xax s ARG 44 CO 0.36 0.09 -0.08 0.42 0.02 0.00 0.00 175.30 176.11 1xax s ILE 45 N 0.51 3.30 -0.18 1.52 -1.09 0.13 -0.64 121.20 124.75 1xax s ILE 45 Ca -0.15 -0.55 -0.35 0.00 -2.23 0.00 0.00 60.65 57.37 1xax s ILE 45 Cb -0.16 -2.44 0.14 0.00 -1.58 0.00 0.00 42.46 38.42 1xax s ILE 45 CO 0.05 0.48 1.29 0.54 -1.23 0.00 0.00 174.94 176.07 1xax s VAL 46 N 0.76 0.00 0.00 2.92 0.11 -1.14 0.54 120.40 123.59 1xax s VAL 46 Ca -0.03 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1xax s VAL 46 Cb -0.15 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 1xax s VAL 46 CO 0.02 0.00 0.00 0.47 -3.33 0.00 0.00 175.10 172.26 1xax n ASP 47 N -0.18 -1.20 -0.08 3.54 9.92 -1.26 -4.07 116.55 123.22 1xax n ASP 47 Ca -0.01 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.03 1xax n ASP 47 Cb 0.59 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.95 1xax n ASP 47 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1xax n GLU 48 N -1.20 0.62 0.28 -1.24 0.28 -1.26 -3.97 120.64 114.15 1xax n GLU 48 Ca 0.00 0.47 -0.16 0.00 -0.16 0.00 0.00 57.16 57.31 1xax n GLU 48 Cb 0.00 -1.72 -0.08 0.00 1.43 0.00 0.00 31.44 31.07 1xax n GLU 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xax h ALA 49 N -0.36 -0.75 -0.06 -1.84 0.00 -1.96 0.95 119.26 115.24 1xax h ALA 49 Ca -0.39 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1xax h ALA 49 Cb 1.53 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 1xax h ALA 49 CO -0.14 -0.93 -0.39 1.49 0.00 0.00 0.00 179.25 179.28 1xax h GLU 50 N -0.74 -0.43 0.49 0.00 4.81 -1.96 0.90 114.58 117.66 1xax h GLU 50 Ca -0.05 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1xax h GLU 50 Cb 0.61 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1xax h GLU 50 CO 0.05 -0.29 -0.31 0.66 -0.73 0.00 0.00 179.01 178.40 1xax h SER 51 N -0.45 -0.77 -0.20 1.04 4.64 -1.68 0.31 113.55 116.45 1xax h SER 51 Ca 0.02 0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 1xax h SER 51 Cb 0.50 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1xax h SER 51 CO -0.30 -0.48 0.24 0.45 -0.87 0.00 0.00 176.83 175.87 1xax h HIS 52 N -0.76 0.00 0.10 4.77 3.86 -0.65 0.26 115.15 122.74 1xax h HIS 52 Ca -0.06 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.86 1xax h HIS 52 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1xax h HIS 52 CO -0.10 0.00 -1.44 0.93 0.86 0.00 0.00 177.93 178.19 1xax h GLU 53 N 0.00 0.22 0.46 2.45 5.08 0.17 -3.02 114.58 119.93 1xax h GLU 53 Ca 0.09 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1xax h GLU 53 Cb 0.57 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1xax h GLU 53 CO -0.00 1.09 -0.22 1.25 -1.00 0.00 0.00 179.01 180.13 1xax h LEU 54 N 0.06 -0.52 -0.57 1.33 5.85 0.27 0.28 115.31 122.01 1xax h LEU 54 Ca -0.20 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.58 1xax h LEU 54 Cb 1.98 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 43.08 1xax h LEU 54 CO 0.16 -0.10 0.19 -0.55 -0.34 0.00 0.00 178.44 177.81 1xax h ASN 55 N -1.12 0.17 0.90 1.25 -1.07 -0.87 0.13 115.58 114.98 1xax h ASN 55 Ca -0.06 0.08 -0.05 0.00 0.07 0.00 0.00 56.30 56.33 1xax h ASN 55 Cb 0.52 0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 36.83 1xax h ASN 55 CO 0.10 0.11 -0.26 -0.07 0.07 0.00 0.00 177.43 177.39 1xax h LEU 56 N 0.36 0.00 -1.62 6.14 4.07 -1.60 0.16 115.31 122.81 1xax h LEU 56 Ca 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.21 1xax h LEU 56 Cb 0.36 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1xax h LEU 56 CO -0.30 0.26 -0.13 0.74 -1.08 0.00 0.00 178.44 177.92 1xax h THR 57 N 0.00 1.12 0.00 0.22 2.02 0.24 -1.35 112.91 115.16 1xax h THR 57 Ca -0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1xax h THR 57 Cb 0.77 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1xax h THR 57 CO 0.03 0.17 -1.19 0.00 0.37 0.00 0.00 175.52 174.90 1xax n TYR 58 N -4.35 0.00 -1.71 3.16 0.18 -1.00 -4.83 117.16 108.62 1xax n TYR 58 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1xax n TYR 58 Cb 0.22 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.07 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 1xax n ARG 59 N -1.66 0.00 -4.16 -3.48 -4.01 0.53 -5.03 116.66 98.85 1xax n ARG 59 Ca -0.01 -0.49 -0.29 0.00 -1.04 0.00 0.00 57.85 56.02 1xax n ARG 59 Cb 0.14 -0.32 -0.06 0.00 -3.04 0.00 0.00 32.46 29.18 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 0.00 -0.17 0.00 2.89 0.00 -0.51 -4.84 105.19 102.56 1xax n GLY 60 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.49 0.18 0.00 1.61 4.81 -1.24 -4.86 118.16 114.17 1xax n LYS 61 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.13 1xax n LYS 61 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 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 -1.24 -0.94 -5.01 3.14 2.03 -1.26 -4.84 116.55 108.42 1xax n ASP 62 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1xax n ASP 62 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.41 2.43 -0.15 -0.67 1.81 -1.26 -4.90 118.95 114.80 1xax s ARG 63 Ca 0.00 -1.58 -0.01 0.00 -1.72 0.00 0.00 55.73 52.42 1xax s ARG 63 Cb 0.00 -2.61 -0.05 0.00 -0.45 0.00 0.00 34.95 31.84 1xax s ARG 63 CO 0.00 -0.68 1.09 -0.35 -0.68 0.00 0.00 175.30 174.68 1xax n PRO 64 N -2.08 0.00 -3.09 3.54 -0.04 -1.26 -4.83 135.00 127.23 1xax n PRO 64 Ca 0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 1xax n PRO 64 Cb 0.61 -0.92 -0.04 0.00 -0.04 0.00 0.00 33.50 33.12 1xax n PRO 64 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xax s THR 65 N 0.00 4.86 -0.15 0.52 2.01 -1.26 -5.01 115.64 116.61 1xax s THR 65 Ca 0.19 0.46 0.18 0.00 0.31 0.00 0.00 61.69 62.84 1xax s THR 65 Cb -0.12 -3.71 -0.25 0.00 0.01 0.00 0.00 72.50 68.42 1xax s THR 65 CO 0.08 -0.38 0.24 -0.46 -0.69 0.00 0.00 174.62 173.42 1xax n ASN 66 N -0.97 0.14 -3.12 3.53 6.94 -1.26 -4.60 115.26 115.92 1xax n ASN 66 Ca 0.01 0.07 -0.20 0.00 -0.02 0.00 0.00 54.58 54.43 1xax n ASN 66 Cb 0.54 0.99 -0.03 0.00 -2.36 0.00 0.00 39.78 38.91 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 -2.72 0.73 -2.11 3.53 0.31 -1.26 -3.35 118.33 113.46 1xax n VAL 67 Ca -0.26 -4.86 -0.31 0.00 -0.01 0.00 0.00 64.34 58.91 1xax n VAL 67 Cb 1.04 -0.57 -0.01 0.00 -0.91 0.00 0.00 33.84 33.40 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 -2.72 3.40 0.10 7.52 2.96 -0.80 -4.90 118.68 124.25 1xax s LEU 68 Ca 0.42 1.44 -0.05 0.00 -0.22 0.00 0.00 54.13 55.72 1xax s LEU 68 Cb 0.33 -4.44 -0.02 0.00 0.50 0.00 0.00 46.19 42.56 1xax s LEU 68 CO -0.10 -0.75 0.12 -0.44 -1.32 0.00 0.00 176.35 173.87 1xax s SER 69 N -3.77 0.24 -0.71 3.68 0.01 -1.26 0.95 113.70 112.83 1xax s SER 69 Ca 0.56 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.94 1xax s SER 69 Cb -0.11 0.31 0.20 0.00 0.21 0.00 0.00 66.02 66.64 1xax s SER 69 CO 0.45 -0.73 0.61 0.49 0.41 0.00 0.00 173.24 174.48 1xax n PHE 70 N -0.06 3.46 -2.63 2.43 3.72 0.17 -4.77 117.46 119.77 1xax n PHE 70 Ca -0.11 -4.23 -0.40 0.00 -0.05 0.00 0.00 57.45 52.67 1xax n PHE 70 Cb 0.62 -0.67 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 1xax n PHE 70 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xax s PRO 71 N -1.79 4.71 1.44 -1.08 0.04 -1.23 -0.58 135.00 136.51 1xax s PRO 71 Ca 0.30 1.60 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 1xax s PRO 71 Cb 0.01 -3.16 0.37 0.00 0.04 0.00 0.00 34.50 31.76 1xax s PRO 71 CO -0.12 0.34 0.92 -0.59 0.04 0.00 0.00 177.00 177.60 1xax s PHE 72 N -1.24 -0.71 -0.41 0.56 -0.71 -1.26 -4.85 117.98 109.37 1xax s PHE 72 Ca 0.44 0.58 -0.28 0.00 -1.04 0.00 0.00 56.93 56.63 1xax s PHE 72 Cb -0.28 -2.87 -0.01 0.00 -1.21 0.00 0.00 43.02 38.66 1xax s PHE 72 CO 0.35 -5.06 1.66 -2.00 -1.34 0.00 0.00 175.22 168.82 1xax s GLU 73 N -5.06 3.30 -0.51 1.99 2.12 -1.26 -4.96 118.70 114.32 1xax s GLU 73 Ca 0.68 1.08 -0.17 0.00 0.36 0.00 0.00 54.97 56.93 1xax s GLU 73 Cb -0.13 -4.17 0.09 0.00 0.26 0.00 0.00 34.13 30.18 1xax s GLU 73 CO 0.58 -1.90 0.51 0.00 -0.54 0.00 0.00 175.26 173.91 1xax n PRO 75 N 5.57 0.00 0.00 0.00 -0.04 -1.26 -5.05 135.00 134.23 1xax n PRO 75 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1xax n PRO 75 Cb 0.43 -0.04 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 0.00 0.00 -0.02 3.54 9.92 -1.26 -5.05 116.55 123.68 1xax n ASP 76 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1xax n ASP 76 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 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 -0.95 0.14 -3.10 -1.24 1.02 -1.26 -4.99 120.64 110.26 1xax n GLU 77 Ca 0.00 0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1xax n GLU 77 Cb 0.00 -0.77 -0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 -3.00 -2.98 -2.77 2.62 0.24 -1.26 -4.70 118.33 106.48 1xax n VAL 78 Ca -0.04 0.56 -0.42 0.00 -2.04 0.00 0.00 64.34 62.40 1xax n VAL 78 Cb 0.13 -3.32 -0.04 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 -0.75 3.18 -0.07 7.34 2.02 -1.26 -4.90 118.70 124.27 1xax s GLU 79 Ca -0.01 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 1xax s GLU 79 Cb 0.00 -4.18 0.11 0.00 0.10 0.00 0.00 34.13 30.16 1xax s GLU 79 CO 0.10 -1.84 0.90 -0.48 0.02 0.00 0.00 175.26 173.95 1xax s LEU 80 N 4.51 -0.41 0.18 1.80 2.34 -1.26 -5.06 118.68 120.78 1xax s LEU 80 Ca 0.28 0.24 -0.30 0.00 0.06 0.00 0.00 54.13 54.41 1xax s LEU 80 Cb -0.14 2.04 -0.08 0.00 -0.56 0.00 0.00 46.19 47.46 1xax s LEU 80 CO 0.13 -0.52 1.11 -2.16 -1.06 0.00 0.00 176.35 173.86 1xax s PRO 81 N -2.12 4.58 -0.27 1.48 0.04 -1.26 -4.74 135.00 132.71 1xax s PRO 81 Ca 0.00 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1xax s PRO 81 Cb -0.01 -3.27 0.18 0.00 0.04 0.00 0.00 34.50 31.44 1xax s PRO 81 CO -0.03 0.06 1.30 -0.48 0.04 0.00 0.00 177.00 177.90 1xax s LEU 82 N -0.39 -0.11 0.00 -3.56 -0.00 -1.26 -4.66 118.68 108.71 1xax s LEU 82 Ca 0.50 0.14 0.00 0.00 -0.00 0.00 0.00 54.13 54.76 1xax s LEU 82 Cb -0.30 1.24 0.00 0.00 -0.00 0.00 0.00 46.19 47.13 1xax s LEU 82 CO 0.35 -0.08 0.00 0.18 -0.00 0.00 0.00 176.35 176.80 1xax n LEU 83 N 0.80 0.00 0.00 1.48 7.99 0.25 -4.67 117.00 122.85 1xax n LEU 83 Ca -0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 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 1.33 -1.05 3.59 -0.72 0.00 -0.77 -4.80 105.19 102.77 1xax n GLY 84 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 4.30 0.17 1.61 -1.08 0.25 -0.47 116.67 117.45 1xax s ASP 85 Ca 0.00 -0.62 0.06 0.00 -0.52 0.00 0.00 52.55 51.47 1xax s ASP 85 Cb 0.00 -0.74 -0.04 0.00 -1.46 0.00 0.00 42.92 40.68 1xax s ASP 85 CO 0.00 0.07 -0.13 -0.22 0.52 0.00 0.00 175.17 175.41 1xax s LEU 86 N -3.10 2.52 -0.45 -1.34 0.20 0.19 0.41 118.68 117.10 1xax s LEU 86 Ca 0.27 -0.97 0.02 0.00 0.69 0.00 0.00 54.13 54.14 1xax s LEU 86 Cb -0.08 -0.55 0.15 0.00 -0.43 0.00 0.00 46.19 45.28 1xax s LEU 86 CO 0.17 -0.21 0.29 -0.69 -0.29 0.00 0.00 176.35 175.61 1xax s VAL 87 N -2.90 1.16 0.14 1.68 1.01 0.27 0.08 120.40 121.83 1xax s VAL 87 Ca 0.18 -2.65 -0.04 0.00 0.00 0.00 0.00 61.98 59.47 1xax s VAL 87 Cb -0.01 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1xax s VAL 87 CO 0.04 -1.00 0.36 -0.63 0.00 0.00 0.00 175.10 173.87 1xax s ILE 88 N 0.18 5.20 -0.14 2.22 1.09 0.19 -1.90 121.20 128.04 1xax s ILE 88 Ca 0.22 -0.06 -0.16 0.00 -1.10 0.00 0.00 60.65 59.56 1xax s ILE 88 Cb -0.16 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.57 1xax s ILE 88 CO -0.06 0.03 0.37 0.00 -0.10 0.00 0.00 174.94 175.18 1xax n ARG 90 N 3.59 0.84 0.07 0.00 -4.01 -1.26 -3.28 116.66 112.61 1xax n ARG 90 Ca -0.10 -0.31 -0.23 0.00 -1.04 0.00 0.00 57.85 56.17 1xax n ARG 90 Cb 0.52 -1.49 -0.15 0.00 -3.04 0.00 0.00 32.46 28.29 1xax n ARG 90 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 1xax h GLN 91 N 0.75 0.40 0.07 2.89 4.15 -1.93 -3.11 115.11 118.33 1xax h GLN 91 Ca 0.00 -0.68 -0.23 0.00 0.77 0.00 0.00 58.65 58.51 1xax h GLN 91 Cb 0.35 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1xax h GLN 91 CO 0.00 1.33 -1.22 -0.24 -1.93 0.00 0.00 178.83 176.76 1xax h VAL 92 N 0.06 1.08 -0.29 2.39 3.04 -1.97 -3.00 116.25 117.57 1xax h VAL 92 Ca -0.33 -2.34 -0.05 0.00 -1.01 0.00 0.00 66.70 62.98 1xax h VAL 92 Cb 2.07 2.67 -0.01 0.00 -2.01 0.00 0.00 31.29 34.01 1xax h VAL 92 CO 0.18 0.60 0.00 -0.37 -1.01 0.00 0.00 177.57 176.97 1xax h VAL 93 N -0.55 1.26 -0.71 1.51 -1.51 -1.77 0.18 116.25 114.66 1xax h VAL 93 Ca -0.28 -0.93 -0.05 0.00 -1.23 0.00 0.00 66.70 64.21 1xax h VAL 93 Cb 1.56 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 31.98 1xax h VAL 93 CO -0.01 0.30 0.23 -0.08 -1.23 0.00 0.00 177.57 176.78 1xax h GLU 94 N 0.30 1.08 -0.10 5.19 4.81 -1.72 0.33 114.58 124.47 1xax h GLU 94 Ca 0.08 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1xax h GLU 94 Cb 0.43 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1xax h GLU 94 CO 0.01 0.91 0.01 0.00 -0.73 0.00 0.00 179.01 179.22 1xax h ARG 95 N 1.05 0.17 -0.76 1.92 3.08 -1.36 0.51 114.38 118.99 1xax h ARG 95 Ca 0.23 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1xax h ARG 95 Cb 0.27 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1xax h ARG 95 CO -0.01 0.41 0.41 1.49 -1.07 0.00 0.00 179.97 181.19 1xax h GLU 96 N -0.09 1.07 -0.36 0.04 4.57 -0.40 0.28 114.58 119.70 1xax h GLU 96 Ca 0.03 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 57.96 1xax h GLU 96 Cb 0.33 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1xax h GLU 96 CO 0.00 0.81 -0.24 0.00 -1.18 0.00 0.00 179.01 178.40 1xax h ALA 97 N 1.21 0.51 -0.46 2.92 0.00 -0.21 0.33 119.26 123.55 1xax h ALA 97 Ca 0.27 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1xax h ALA 97 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xax h ALA 97 CO -0.04 0.50 -0.11 0.77 0.00 0.00 0.00 179.25 180.37 1xax h SER 98 N 0.58 0.84 0.47 0.00 0.02 0.35 -1.07 113.55 114.75 1xax h SER 98 Ca 0.07 -0.26 -0.23 0.00 -0.84 0.00 0.00 61.79 60.54 1xax h SER 98 Cb 0.81 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1xax h SER 98 CO 0.07 0.97 -0.97 -0.33 -1.14 0.00 0.00 176.83 175.42 1xax h GLU 99 N 0.76 0.31 0.00 3.45 4.39 -0.35 -3.16 114.58 119.98 1xax h GLU 99 Ca 0.13 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 1xax h GLU 99 Cb 0.62 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1xax h GLU 99 CO 0.04 1.08 -0.22 1.96 -1.16 0.00 0.00 179.01 180.71 1xax h GLN 100 N 0.16 0.00 -4.12 2.33 4.20 -0.16 -3.47 115.11 114.05 1xax h GLN 100 Ca -0.08 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.41 1xax h GLN 100 Cb 1.63 0.00 0.10 0.00 0.30 0.00 0.00 27.48 29.50 1xax h GLN 100 CO 0.16 0.22 -0.45 -1.91 -0.67 0.00 0.00 178.83 176.18 1xax n GLU 101 N -3.40 -4.53 -4.43 1.46 0.00 -0.42 -5.04 120.64 104.29 1xax n GLU 101 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 57.16 57.44 1xax n GLU 101 Cb 0.42 -4.59 -0.13 0.00 0.00 0.00 0.00 31.44 27.14 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xax s LYS 102 N -5.34 1.17 -0.02 5.31 -0.14 -1.15 -5.09 119.74 114.50 1xax s LYS 102 Ca 0.19 -0.99 -0.36 0.00 -1.36 0.00 0.00 55.97 53.44 1xax s LYS 102 Cb -0.08 -1.32 -0.14 0.00 -1.68 0.00 0.00 37.83 34.61 1xax s LYS 102 CO 0.45 0.32 1.65 -2.30 -0.76 0.00 0.00 175.35 174.71 1xax n PRO 103 N 1.53 1.73 0.33 -1.68 -0.02 -1.26 -4.79 135.00 130.84 1xax n PRO 103 Ca -0.18 0.63 0.21 0.00 -2.02 0.00 0.00 63.50 62.14 1xax n PRO 103 Cb 0.54 -2.38 1.13 0.00 -0.02 0.00 0.00 33.50 32.77 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 6.82 0.00 -0.12 2.45 3.38 -1.99 -2.88 115.31 122.97 1xax h LEU 104 Ca -0.47 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1xax h LEU 104 Cb 1.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1xax h LEU 104 CO 0.90 0.00 -0.46 0.24 0.09 0.00 0.00 178.44 179.21 1xax h MET 105 N 0.00 -0.51 -0.08 1.13 2.86 -2.00 -0.55 114.93 115.78 1xax h MET 105 Ca 0.00 0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1xax h MET 105 Cb 0.09 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1xax h MET 105 CO 0.00 -0.34 -0.29 0.00 1.06 0.00 0.00 176.91 177.34 1xax h ALA 106 N -0.01 1.37 0.33 6.32 0.00 -1.90 -3.03 119.26 122.35 1xax h ALA 106 Ca 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xax h ALA 106 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1xax h ALA 106 CO -0.40 0.45 -0.31 1.25 0.00 0.00 0.00 179.25 180.23 1xax h HIS 107 N 0.13 -0.83 0.01 0.00 6.17 -1.19 0.21 115.15 119.65 1xax h HIS 107 Ca 0.02 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.13 1xax h HIS 107 Cb 0.59 0.32 -0.03 0.00 2.52 0.00 0.00 27.41 30.80 1xax h HIS 107 CO 0.01 -0.45 -0.18 -1.49 0.71 0.00 0.00 177.93 176.53 1xax h TRP 108 N -0.67 -0.47 0.26 5.26 6.55 -1.12 1.07 115.95 126.83 1xax h TRP 108 Ca -0.02 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1xax h TRP 108 Cb 0.60 0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 29.07 1xax h TRP 108 CO -0.18 -0.26 -0.47 0.00 -1.05 0.00 0.00 178.44 176.48 1xax h ALA 109 N 0.61 -1.03 -0.50 1.49 0.00 -1.40 0.20 119.26 118.63 1xax h ALA 109 Ca 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xax h ALA 109 Cb 0.36 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1xax h ALA 109 CO -0.16 -1.11 0.29 1.25 0.00 0.00 0.00 179.25 179.52 1xax h HIS 110 N -0.79 0.54 0.01 0.00 -0.00 -0.45 -2.15 115.15 112.31 1xax h HIS 110 Ca -0.03 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1xax h HIS 110 Cb 0.74 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.93 1xax h HIS 110 CO -0.35 0.30 -0.28 0.52 -0.00 0.00 0.00 177.93 178.12 1xax h MET 111 N 0.58 -0.42 0.13 5.26 2.07 0.16 0.24 114.93 122.94 1xax h MET 111 Ca 0.20 0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.88 1xax h MET 111 Cb 0.04 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.82 1xax h MET 111 CO -0.10 -0.28 -0.31 0.28 1.07 0.00 0.00 176.91 177.57 1xax h VAL 112 N -0.43 0.33 -0.42 -2.22 2.07 -0.41 -0.45 116.25 114.73 1xax h VAL 112 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1xax h VAL 112 Cb 0.52 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1xax h VAL 112 CO -0.24 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.22 1xax h VAL 113 N -0.54 0.91 0.28 2.57 2.07 -1.15 0.16 116.25 120.55 1xax h VAL 113 Ca 0.03 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xax h VAL 113 Cb 0.57 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1xax h VAL 113 CO -0.18 0.04 -0.13 1.12 0.02 0.00 0.00 177.57 178.44 1xax h HIS 114 N 0.24 -0.34 0.00 1.57 2.07 0.58 -2.78 115.15 116.48 1xax h HIS 114 Ca 0.19 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1xax h HIS 114 Cb 0.45 0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1xax h HIS 114 CO -0.00 0.01 0.00 0.41 -3.07 0.00 0.00 177.93 175.28 1xax n GLY 115 N -0.13 -1.05 0.04 6.13 0.00 -0.28 -1.52 105.19 108.38 1xax n GLY 115 Ca -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.09 1.61 4.64 -0.58 -3.31 113.55 116.00 1xax h SER 116 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1xax h SER 116 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1xax h SER 116 CO 0.00 0.43 -1.05 0.25 -0.87 0.00 0.00 176.83 175.58 1xax h LEU 117 N -0.74 0.30 -2.73 5.97 5.85 -1.59 -3.25 115.31 119.12 1xax h LEU 117 Ca 0.00 -0.85 -0.00 0.00 0.84 0.00 0.00 57.88 57.86 1xax h LEU 117 Cb 0.11 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1xax h LEU 117 CO 0.00 1.46 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.82 1xax h HIS 118 N -0.50 0.00 0.00 1.25 2.76 -1.45 -1.61 115.15 115.60 1xax h HIS 118 Ca -0.23 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.94 1xax h HIS 118 Cb 1.57 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.53 1xax h HIS 118 CO 0.16 0.01 -0.00 1.25 -1.30 0.00 0.00 177.93 178.05 1xax h LEU 119 N 0.00 -0.00 0.00 0.26 5.85 -1.65 -3.46 115.31 116.31 1xax h LEU 119 Ca -0.00 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.04 1xax h LEU 119 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1xax h LEU 119 CO 0.00 0.84 0.00 -0.11 -0.34 0.00 0.00 178.44 178.83 1xax n LEU 120 N -4.67 0.65 0.00 2.25 7.94 -1.09 -5.09 117.00 117.00 1xax n LEU 120 Ca -0.07 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1xax n LEU 120 Cb 0.33 -0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.09 1xax n LEU 120 CO 0.23 -0.66 0.00 0.61 -1.11 0.00 0.00 177.39 176.46 1xax n GLY 121 N 3.42 0.54 0.32 -3.96 0.00 -0.63 -4.96 105.19 99.92 1xax n GLY 121 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.45 1.61 4.01 -1.26 -4.11 117.16 116.96 1xax n TYR 122 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1xax n TYR 122 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.10 3.77 0.00 7.72 2.03 -1.26 -4.70 116.55 124.20 1xax n ASP 123 Ca 0.00 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.26 1xax n ASP 123 Cb 0.00 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1xax n ASP 123 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1xax n HIS 124 N 1.90 0.00 -4.32 -0.67 8.25 -1.26 -4.69 115.22 114.43 1xax n HIS 124 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.29 1xax n HIS 124 Cb 0.43 -0.08 -0.08 0.00 1.12 0.00 0.00 29.99 31.38 1xax n HIS 124 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1xax s ILE 125 N -1.44 2.59 -2.59 1.59 -0.00 -1.26 -4.99 121.20 115.10 1xax s ILE 125 Ca 0.00 -1.94 0.24 0.00 -0.00 0.00 0.00 60.65 58.95 1xax s ILE 125 Cb 0.00 -2.83 0.14 0.00 -0.00 0.00 0.00 42.46 39.77 1xax s ILE 125 CO 0.00 -0.17 1.24 -1.84 -0.00 0.00 0.00 174.94 174.16 1xax n GLU 126 N -0.99 1.84 -0.01 0.37 0.00 -1.26 -1.85 120.64 118.75 1xax n GLU 126 Ca -0.04 -1.49 -0.00 0.00 0.00 0.00 0.00 57.16 55.62 1xax n GLU 126 Cb 0.63 -1.47 -0.00 0.00 0.00 0.00 0.00 31.44 30.60 1xax n GLU 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1xax h ASP 127 N 3.65 0.00 0.00 -1.84 3.32 -1.97 -3.43 116.42 116.15 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 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1xax h ASP 127 CO 0.00 0.07 0.00 0.47 -1.72 0.00 0.00 179.24 178.06 1xax n ASP 128 N -2.44 0.00 -0.64 6.45 9.92 -1.26 -4.34 116.55 124.23 1xax n ASP 128 Ca -0.01 0.03 0.50 0.00 -0.53 0.00 0.00 54.79 54.78 1xax n ASP 128 Cb 0.02 -0.11 0.79 0.00 -0.64 0.00 0.00 41.12 41.18 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 -1.85 -1.83 114.58 114.23 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 -2.82 -0.26 -0.32 2.92 0.00 -0.77 0.29 120.51 119.55 1xax n ALA 130 Ca 0.43 0.00 0.17 0.00 0.00 0.00 0.00 53.44 54.05 1xax n ALA 130 Cb 1.89 0.05 0.42 0.00 0.00 0.00 0.00 19.45 21.81 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 0.56 0.89 0.00 5.08 -1.55 0.33 114.58 119.89 1xax h GLU 131 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1xax h GLU 131 Cb 0.00 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.13 1xax h GLU 131 CO 0.00 0.37 -0.43 0.93 -1.00 0.00 0.00 179.01 178.88 1xax h GLU 132 N 0.57 -1.15 -0.60 2.33 5.08 -1.29 0.35 114.58 119.88 1xax h GLU 132 Ca 0.57 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 59.04 1xax h GLU 132 Cb 1.15 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1xax h GLU 132 CO -0.33 -0.77 0.35 0.52 -1.00 0.00 0.00 179.01 177.78 1xax h MET 133 N -1.26 0.65 0.87 2.33 2.86 0.60 0.81 114.93 121.79 1xax h MET 133 Ca -0.12 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1xax h MET 133 Cb 0.92 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.44 1xax h MET 133 CO 0.20 0.43 -0.43 0.93 1.06 0.00 0.00 176.91 179.11 1xax h GLU 134 N 0.67 -1.14 0.15 1.72 4.39 -0.33 0.35 114.58 120.40 1xax h GLU 134 Ca 0.25 0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 1xax h GLU 134 Cb 0.08 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xax h GLU 134 CO -0.13 -0.76 -0.07 0.66 -1.16 0.00 0.00 179.01 177.55 1xax h SER 135 N -1.18 -0.17 0.51 1.42 4.64 -0.19 0.37 113.55 118.95 1xax h SER 135 Ca -0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1xax h SER 135 Cb 0.91 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1xax h SER 135 CO 0.19 -0.12 -0.50 0.25 -0.87 0.00 0.00 176.83 175.78 1xax h LEU 136 N -0.21 -1.37 0.13 5.97 7.12 0.64 0.47 115.31 128.05 1xax h LEU 136 Ca -0.02 0.11 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 1xax h LEU 136 Cb 0.16 0.45 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1xax h LEU 136 CO 0.03 -0.67 -0.10 -0.08 -0.13 0.00 0.00 178.44 177.50 1xax h GLU 137 N -1.01 -0.23 -0.50 1.25 4.81 -0.29 0.01 114.58 118.62 1xax h GLU 137 Ca -0.06 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1xax h GLU 137 Cb 0.87 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1xax h GLU 137 CO -0.06 -0.16 0.34 1.15 -0.73 0.00 0.00 179.01 179.56 1xax h THR 138 N -0.24 0.93 0.13 0.32 2.02 -0.16 0.29 112.91 116.20 1xax h THR 138 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1xax h THR 138 Cb 0.22 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1xax h THR 138 CO -0.01 0.07 -0.06 -0.61 0.37 0.00 0.00 175.52 175.27 1xax h GLN 139 N 0.36 -0.17 -0.00 6.66 4.15 0.51 0.39 115.11 127.00 1xax h GLN 139 Ca 0.23 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 1xax h GLN 139 Cb 0.42 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1xax h GLN 139 CO -0.06 0.22 -0.16 0.82 -1.93 0.00 0.00 178.83 177.72 1xax h ILE 140 N -0.95 1.12 0.00 2.39 2.04 -0.83 1.12 117.51 122.40 1xax h ILE 140 Ca -0.02 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1xax h ILE 140 Cb 0.47 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1xax h ILE 140 CO 0.03 0.16 -0.26 0.24 0.00 0.00 0.00 178.15 178.32 1xax h MET 141 N 0.01 0.00 0.00 2.37 2.86 -0.49 -3.40 114.93 116.27 1xax h MET 141 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1xax h MET 141 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1xax h MET 141 CO 0.02 0.00 -0.44 0.37 1.06 0.00 0.00 176.91 177.92 1xax h GLN 142 N -0.85 0.00 -1.10 1.72 4.15 -0.28 -2.29 115.11 116.46 1xax h GLN 142 Ca 0.00 0.00 0.30 0.00 0.77 0.00 0.00 58.65 59.72 1xax h GLN 142 Cb 0.26 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.86 1xax h GLN 142 CO 0.00 0.44 0.72 0.78 -1.93 0.00 0.00 178.83 178.84 1xax h GLY 143 N 2.28 1.02 0.00 2.39 0.00 0.14 -2.51 103.07 106.39 1xax h GLY 143 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 1xax h GLY 143 CO 0.06 -0.15 -1.65 1.04 0.00 0.00 0.00 176.54 175.84 1xax n LEU 144 N -4.56 0.00 -2.16 3.11 4.32 -1.22 -5.06 117.00 111.43 1xax n LEU 144 Ca 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.23 1xax n LEU 144 Cb 1.01 0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 43.01 1xax n LEU 144 CO 0.27 0.22 -0.38 0.61 -1.22 0.00 0.00 177.39 176.89 1xax n GLY 145 N 2.38 -4.22 0.85 -0.72 0.00 -0.86 -5.16 105.19 97.46 1xax n GLY 145 Ca -0.15 0.78 0.11 0.00 0.00 0.00 0.00 46.02 46.76 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01