#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 5.16 -0.42 2.46 0.11 -1.09 -0.20 120.40 126.43 1xax s VAL 4 Ca 0.00 -0.36 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 1xax s VAL 4 Cb 0.00 -3.95 0.09 0.00 -1.53 0.00 0.00 36.38 30.99 1xax s VAL 4 CO 0.00 -0.31 0.24 -0.76 -3.33 0.00 0.00 175.10 170.94 1xax s LEU 5 N 1.96 5.18 -0.15 2.54 1.02 0.11 -4.98 118.68 124.35 1xax s LEU 5 Ca 0.10 -1.72 -0.00 0.00 0.02 0.00 0.00 54.13 52.52 1xax s LEU 5 Cb -0.18 -1.92 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 1xax s LEU 5 CO 0.12 -0.55 -0.13 0.54 0.02 0.00 0.00 176.35 176.36 1xax s VAL 6 N 1.32 2.98 -0.11 -1.59 0.11 -1.26 0.00 120.40 121.85 1xax s VAL 6 Ca 0.04 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1xax s VAL 6 Cb -0.23 -2.26 -0.01 0.00 -1.53 0.00 0.00 36.38 32.34 1xax s VAL 6 CO -0.01 0.51 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.46 1xax s ASP 7 N 0.62 3.52 -0.03 3.54 2.15 0.12 -4.97 116.67 121.62 1xax s ASP 7 Ca -0.07 -0.45 0.01 0.00 0.43 0.00 0.00 52.55 52.47 1xax s ASP 7 Cb -0.15 -1.46 0.01 0.00 -0.30 0.00 0.00 42.92 41.02 1xax s ASP 7 CO 0.03 0.17 -0.04 -1.48 -0.17 0.00 0.00 175.17 173.68 1xax s LEU 8 N 0.29 1.55 -0.04 -1.34 -0.00 -1.26 0.13 118.68 118.02 1xax s LEU 8 Ca -0.14 -0.11 0.02 0.00 -0.00 0.00 0.00 54.13 53.91 1xax s LEU 8 Cb -0.17 -0.36 0.01 0.00 -0.00 0.00 0.00 46.19 45.67 1xax s LEU 8 CO 0.07 -0.01 -0.09 0.00 -0.00 0.00 0.00 176.35 176.32 1xax s GLN 9 N 0.55 1.08 -0.03 1.48 0.00 0.18 -4.97 119.66 117.95 1xax s GLN 9 Ca -0.07 -0.29 -0.02 0.00 -0.00 0.00 0.00 55.36 54.98 1xax s GLN 9 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 33.01 31.88 1xax s GLN 9 CO -0.00 0.06 0.08 0.42 0.00 0.00 0.00 175.29 175.85 1xax s ILE 10 N 0.41 4.82 0.00 3.63 -1.09 -1.26 -0.48 121.20 127.22 1xax s ILE 10 Ca -0.07 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.14 1xax s ILE 10 Cb -0.11 -3.16 0.10 0.00 -1.58 0.00 0.00 42.46 37.71 1xax s ILE 10 CO 0.01 0.43 0.95 0.00 -1.23 0.00 0.00 174.94 175.10 1xax n ALA 11 N 1.44 2.92 -3.40 9.38 0.00 -1.09 -4.96 120.51 124.79 1xax n ALA 11 Ca -0.15 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1xax n ALA 11 Cb 0.53 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1xax n ALA 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xax n THR 12 N 0.12 0.00 0.39 0.00 -2.24 -1.26 -4.90 114.28 106.39 1xax n THR 12 Ca -0.12 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1xax n THR 12 Cb 0.77 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 69.20 1xax n THR 12 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xax n GLU 13 N 0.00 2.46 0.00 -0.78 2.13 -1.26 -4.90 120.64 118.29 1xax n GLU 13 Ca 0.00 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.24 1xax n GLU 13 Cb 0.00 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1xax n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xax n ASN 14 N 0.54 0.00 0.00 4.31 5.03 -1.26 -4.76 115.26 119.12 1xax n ASN 14 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1xax n ASN 14 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1xax n ASN 14 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1xax n ILE 15 N -0.52 0.00 -0.48 2.41 -6.64 -1.26 -4.63 119.36 108.25 1xax n ILE 15 Ca 0.00 0.00 0.42 0.00 -1.77 0.00 0.00 62.75 61.40 1xax n ILE 15 Cb 0.00 0.00 0.78 0.00 -1.44 0.00 0.00 39.64 38.98 1xax n ILE 15 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 1xax h GLU 16 N 0.00 0.00 -2.78 6.28 4.57 -1.99 -3.39 114.58 117.27 1xax h GLU 16 Ca 0.00 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1xax h GLU 16 Cb 0.00 -0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 28.35 1xax h GLU 16 CO 0.00 0.00 -0.26 0.20 -1.18 0.00 0.00 179.01 177.78 1xax s GLY 17 N -3.92 -0.30 -0.13 1.92 0.00 -1.26 -5.11 107.32 98.52 1xax s GLY 17 Ca -0.05 1.12 -0.31 0.00 0.00 0.00 0.00 44.72 45.48 1xax s GLY 17 CO 0.84 0.97 2.08 -0.10 0.00 0.00 0.00 173.10 176.90 1xax n LEU 18 N 2.90 3.46 -4.64 0.66 -0.00 -1.26 -4.88 117.00 113.23 1xax n LEU 18 Ca -0.13 0.58 -0.42 0.00 -0.00 0.00 0.00 56.01 56.03 1xax n LEU 18 Cb 0.57 -1.48 -0.03 0.00 -0.00 0.00 0.00 43.42 42.48 1xax n LEU 18 CO 0.13 -0.30 1.63 -2.16 -0.00 0.00 0.00 177.39 176.69 1xax s PRO 19 N 5.35 3.89 0.04 1.96 0.04 -1.26 -4.89 135.00 140.13 1xax s PRO 19 Ca 0.97 2.39 -0.37 0.00 0.04 0.00 0.00 61.00 64.03 1xax s PRO 19 Cb -0.49 -4.19 -0.16 0.00 0.04 0.00 0.00 34.50 29.70 1xax s PRO 19 CO 0.42 -1.24 1.41 0.25 0.04 0.00 0.00 177.00 177.88 1xax n THR 20 N 6.11 0.04 -0.31 1.26 -2.24 -1.26 -4.86 114.28 113.03 1xax n THR 20 Ca 0.22 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.95 1xax n THR 20 Cb 0.42 -0.91 0.08 0.00 -2.10 0.00 0.00 70.33 67.82 1xax n THR 20 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1xax h GLU 21 N 5.00 1.11 -0.38 -0.78 4.11 -1.96 -2.46 114.58 119.22 1xax h GLU 21 Ca -0.47 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 58.96 1xax h GLU 21 Cb 1.33 -0.25 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1xax h GLU 21 CO 0.81 0.74 -0.32 1.49 0.07 0.00 0.00 179.01 181.79 1xax h GLU 22 N 1.14 -0.25 0.16 1.06 4.22 -1.97 0.93 114.58 119.86 1xax h GLU 22 Ca 0.31 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.76 1xax h GLU 22 Cb -0.12 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1xax h GLU 22 CO -0.06 -0.17 -0.08 1.96 -2.18 0.00 0.00 179.01 178.48 1xax h GLN 23 N -0.26 -0.21 -0.08 1.92 1.08 -1.89 0.10 115.11 115.78 1xax h GLN 23 Ca 0.17 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1xax h GLN 23 Cb 0.54 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 1xax h GLN 23 CO -0.52 -0.14 -0.48 0.82 -0.95 0.00 0.00 178.83 177.56 1xax h ILE 24 N -0.23 0.00 -0.03 2.54 1.08 -1.34 0.73 117.51 120.26 1xax h ILE 24 Ca -0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1xax h ILE 24 Cb 0.17 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.86 1xax h ILE 24 CO 0.04 0.00 -0.39 0.58 -0.69 0.00 0.00 178.15 177.68 1xax h VAL 25 N -0.55 0.19 0.44 1.67 2.07 0.79 0.19 116.25 121.05 1xax h VAL 25 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1xax h VAL 25 Cb 0.62 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1xax h VAL 25 CO -0.36 0.00 -0.28 -0.61 0.02 0.00 0.00 177.57 176.33 1xax h GLN 26 N -0.53 -0.67 0.16 1.57 5.75 -0.49 1.30 115.11 122.20 1xax h GLN 26 Ca 0.06 0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1xax h GLN 26 Cb 0.63 0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.29 1xax h GLN 26 CO -0.33 -0.45 -0.46 2.35 -2.65 0.00 0.00 178.83 177.29 1xax h TRP 27 N -0.69 -1.34 0.00 3.99 2.91 0.68 0.26 115.95 121.76 1xax h TRP 27 Ca -0.05 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1xax h TRP 27 Cb 0.57 0.56 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 1xax h TRP 27 CO -0.10 -0.54 0.00 0.00 -1.03 0.00 0.00 178.44 176.77 1xax n ALA 28 N -2.85 -0.03 -0.01 2.65 0.00 0.63 -2.85 120.51 118.04 1xax n ALA 28 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1xax n ALA 28 Cb 0.37 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.32 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 0.97 -0.32 0.00 2.02 -0.37 -1.74 112.91 113.47 1xax h THR 29 Ca 0.00 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 1xax h THR 29 Cb 0.00 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1xax h THR 29 CO 0.00 0.07 -0.26 1.23 0.37 0.00 0.00 175.52 176.93 1xax h GLY 30 N 0.40 0.70 2.00 2.16 0.00 0.50 -2.33 103.07 106.49 1xax h GLY 30 Ca 0.20 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1xax h GLY 30 CO -0.05 0.55 -0.13 0.00 0.00 0.00 0.00 176.54 176.92 1xax h ALA 31 N 1.15 1.05 0.00 3.60 0.00 -0.41 -2.72 119.26 121.93 1xax h ALA 31 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xax h ALA 31 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1xax h ALA 31 CO 0.06 0.16 -0.77 1.55 0.00 0.00 0.00 179.25 180.25 1xax n VAL 32 N -3.32 0.23 -2.31 0.00 3.14 -1.00 -4.25 118.33 110.82 1xax n VAL 32 Ca -0.00 -0.22 -0.21 0.00 -2.96 0.00 0.00 64.34 60.94 1xax n VAL 32 Cb 0.35 0.06 0.02 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.97 3.17 0.19 1.45 -0.06 -0.91 -4.81 117.38 114.44 1xax n GLN 33 Ca 0.03 -4.15 0.14 0.00 -2.00 0.00 0.00 57.00 51.03 1xax n GLN 33 Cb 0.42 -2.12 0.62 0.00 -4.06 0.00 0.00 30.24 25.11 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 2.42 0.00 0.00 3.69 0.13 -1.71 -3.28 132.00 133.25 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 -1.33 0.39 -0.23 0.00 0.00 178.00 177.54 1xax n GLU 35 N -2.55 0.54 0.00 0.86 1.02 -1.26 -5.10 120.64 114.15 1xax n GLU 35 Ca 0.01 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1xax n GLU 35 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.43 2.00 2.88 0.62 0.00 -1.24 -5.12 105.19 105.77 1xax n GLY 36 Ca -0.24 -0.30 -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 -1.31 0.00 0.00 0.00 173.32 172.01 1xax s ASN 37 N 0.00 0.62 0.25 1.61 0.02 -1.26 -4.78 114.94 111.40 1xax s ASN 37 Ca 0.00 -0.08 -0.30 0.00 -1.02 0.00 0.00 52.86 51.46 1xax s ASN 37 Cb 0.00 -0.25 -0.10 0.00 0.02 0.00 0.00 41.25 40.92 1xax s ASN 37 CO 0.00 -0.04 1.49 -1.83 0.02 0.00 0.00 177.10 176.74 1xax s GLU 38 N 0.64 4.23 -0.29 -0.60 -1.05 -1.24 -2.68 118.70 117.72 1xax s GLU 38 Ca -0.07 2.37 -0.27 0.00 -0.15 0.00 0.00 54.97 56.85 1xax s GLU 38 Cb -0.10 -3.09 0.19 0.00 -0.44 0.00 0.00 34.13 30.68 1xax s GLU 38 CO -0.01 -0.48 1.37 0.14 0.95 0.00 0.00 175.26 177.23 1xax s VAL 39 N 0.08 0.00 -0.10 1.83 -7.23 0.72 -4.74 120.40 110.96 1xax s VAL 39 Ca 0.61 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.76 1xax s VAL 39 Cb -0.43 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.54 1xax s VAL 39 CO 0.43 0.00 0.02 -1.83 -0.31 0.00 0.00 175.10 173.42 1xax s GLU 40 N -0.45 0.50 0.08 4.82 4.04 -1.26 0.04 118.70 126.47 1xax s GLU 40 Ca 0.07 0.02 0.07 0.00 0.04 0.00 0.00 54.97 55.17 1xax s GLU 40 Cb -0.03 -1.21 -0.03 0.00 0.02 0.00 0.00 34.13 32.87 1xax s GLU 40 CO -0.11 -0.40 -0.19 0.00 -1.84 0.00 0.00 175.26 172.72 1xax s MET 41 N 1.98 1.08 0.16 -4.83 0.23 0.10 -0.73 119.30 117.30 1xax s MET 41 Ca 0.04 -1.05 0.04 0.00 -1.03 0.00 0.00 55.69 53.68 1xax s MET 41 Cb -0.13 -1.25 -0.05 0.00 -1.53 0.00 0.00 34.83 31.87 1xax s MET 41 CO -0.06 0.30 -0.07 0.99 -2.03 0.00 0.00 175.02 174.15 1xax s THR 42 N -1.11 1.08 -0.21 3.16 2.01 0.12 0.13 115.64 120.82 1xax s THR 42 Ca 0.04 -2.04 -0.08 0.00 0.31 0.00 0.00 61.69 59.92 1xax s THR 42 Cb -0.10 -1.97 0.09 0.00 0.01 0.00 0.00 72.50 70.54 1xax s THR 42 CO 0.03 -0.64 0.47 0.68 -0.69 0.00 0.00 174.62 174.47 1xax s VAL 43 N -3.39 -0.60 -0.21 3.82 -7.23 0.34 -2.56 120.40 110.58 1xax s VAL 43 Ca 0.19 0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.47 1xax s VAL 43 Cb 0.04 -0.73 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1xax s VAL 43 CO 0.02 0.05 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.16 1xax s ARG 44 N 2.46 3.18 -0.28 4.82 3.52 0.12 -0.65 118.95 132.12 1xax s ARG 44 Ca -0.04 -0.73 -0.13 0.00 -0.13 0.00 0.00 55.73 54.70 1xax s ARG 44 Cb -0.11 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 1xax s ARG 44 CO -0.14 -0.22 0.27 0.42 -0.81 0.00 0.00 175.30 174.82 1xax s ILE 45 N 1.39 5.25 -0.16 4.11 -1.09 0.37 -0.32 121.20 130.75 1xax s ILE 45 Ca 0.05 0.29 -0.34 0.00 -2.23 0.00 0.00 60.65 58.43 1xax s ILE 45 Cb -0.14 -3.62 0.13 0.00 -1.58 0.00 0.00 42.46 37.26 1xax s ILE 45 CO -0.07 0.18 1.15 0.54 -1.23 0.00 0.00 174.94 175.51 1xax s VAL 46 N 1.89 0.00 1.04 2.92 0.11 -1.12 -2.69 120.40 122.55 1xax s VAL 46 Ca 0.10 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.01 1xax s VAL 46 Cb -0.16 -1.00 0.21 0.00 -1.53 0.00 0.00 36.38 33.90 1xax s VAL 46 CO 0.11 0.00 0.48 -0.90 -3.33 0.00 0.00 175.10 171.46 1xax n ASP 47 N -0.11 -3.22 -0.07 3.54 5.75 -1.26 -3.55 116.55 117.63 1xax n ASP 47 Ca -0.01 -0.49 -0.10 0.00 -0.01 0.00 0.00 54.79 54.18 1xax n ASP 47 Cb 0.59 -0.77 -0.08 0.00 -1.03 0.00 0.00 41.12 39.83 1xax n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1xax h GLU 48 N 0.00 0.00 0.02 0.11 5.08 -1.97 -2.96 114.58 114.86 1xax h GLU 48 Ca -0.22 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1xax h GLU 48 Cb 0.74 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1xax h GLU 48 CO 0.13 0.61 -0.44 0.00 -1.00 0.00 0.00 179.01 178.31 1xax h ALA 49 N -0.46 -0.73 -0.77 3.43 0.00 -1.98 0.80 119.26 119.55 1xax h ALA 49 Ca -0.05 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1xax h ALA 49 Cb 0.70 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1xax h ALA 49 CO -0.03 -0.99 0.43 1.49 0.00 0.00 0.00 179.25 180.15 1xax h GLU 50 N -0.61 0.74 0.74 0.00 4.81 -1.95 0.19 114.58 118.49 1xax h GLU 50 Ca 0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1xax h GLU 50 Cb 0.67 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1xax h GLU 50 CO -0.31 0.49 -0.35 0.77 -0.73 0.00 0.00 179.01 178.87 1xax h SER 51 N 0.76 -0.84 -0.18 1.04 0.02 -1.13 0.33 113.55 113.56 1xax h SER 51 Ca 0.36 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.38 1xax h SER 51 Cb 0.29 0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1xax h SER 51 CO -0.22 -0.55 -0.43 0.45 -1.14 0.00 0.00 176.83 174.94 1xax h HIS 52 N -1.08 -1.23 -0.61 3.45 3.86 0.80 0.93 115.15 121.27 1xax h HIS 52 Ca -0.10 0.05 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1xax h HIS 52 Cb 0.76 0.56 -0.04 0.00 1.06 0.00 0.00 27.41 29.75 1xax h HIS 52 CO 0.04 -0.47 0.40 0.93 0.86 0.00 0.00 177.93 179.69 1xax h GLU 53 N -0.47 0.48 0.45 2.45 5.08 -0.66 0.30 114.58 122.22 1xax h GLU 53 Ca 0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1xax h GLU 53 Cb 0.62 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xax h GLU 53 CO -0.43 0.32 -0.21 1.25 -1.00 0.00 0.00 179.01 178.93 1xax h LEU 54 N 0.49 -0.51 -0.40 1.33 5.85 0.25 0.26 115.31 122.59 1xax h LEU 54 Ca 0.27 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1xax h LEU 54 Cb 0.43 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1xax h LEU 54 CO -0.08 -0.08 0.15 0.78 -0.34 0.00 0.00 178.44 178.87 1xax h ASN 55 N -1.12 0.17 -0.30 1.25 4.21 0.97 0.56 115.58 121.34 1xax h ASN 55 Ca -0.06 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 1xax h ASN 55 Cb 0.51 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1xax h ASN 55 CO 0.10 0.14 0.15 -0.07 -1.29 0.00 0.00 177.43 176.46 1xax h LEU 56 N 0.32 0.41 -1.22 1.61 4.07 -0.48 0.27 115.31 120.30 1xax h LEU 56 Ca 0.18 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.03 1xax h LEU 56 Cb 0.15 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1xax h LEU 56 CO -0.17 0.36 -0.35 0.74 -1.08 0.00 0.00 178.44 177.94 1xax h THR 57 N 0.47 1.26 -0.15 0.22 2.02 0.25 -0.74 112.91 116.24 1xax h THR 57 Ca 0.12 -1.26 -0.08 0.00 0.77 0.00 0.00 66.41 65.96 1xax h THR 57 Cb 0.07 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1xax h THR 57 CO -0.02 0.37 -0.23 1.88 0.37 0.00 0.00 175.52 177.89 1xax h TYR 58 N 0.06 0.53 0.00 3.16 0.05 0.34 -3.45 116.97 117.66 1xax h TYR 58 Ca 0.01 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1xax h TYR 58 Cb 0.65 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1xax h TYR 58 CO 0.00 0.86 0.00 -2.13 -1.05 0.00 0.00 178.16 175.84 1xax n ARG 59 N -4.45 0.00 0.00 4.88 0.00 -0.06 -5.07 116.66 111.95 1xax n ARG 59 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1xax n ARG 59 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.76 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 -0.39 0.86 0.00 5.14 0.00 -0.31 -4.95 105.19 105.54 1xax n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xax n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xax n LYS 61 N 0.00 0.29 0.00 1.61 -0.00 -1.26 -4.92 118.16 113.89 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xax n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1xax n LYS 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xax n ASP 62 N -1.31 0.00 0.00 -5.58 9.92 -1.26 -4.82 116.55 113.49 1xax n ASP 62 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xax n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xax n ASP 62 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1xax n ARG 63 N 0.00 1.38 -1.10 -1.24 0.63 -1.26 -4.91 116.66 110.16 1xax n ARG 63 Ca 0.00 0.00 -0.48 0.00 -0.92 0.00 0.00 57.85 56.45 1xax n ARG 63 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1xax n ARG 63 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1xax n PRO 64 N 0.00 0.00 -3.40 -0.14 -0.04 -1.26 -4.90 135.00 125.26 1xax n PRO 64 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1xax n PRO 64 Cb 0.00 -1.12 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 3.47 -0.48 0.21 0.52 2.01 -1.26 -5.03 115.64 115.08 1xax s THR 65 Ca 0.85 -0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 1xax s THR 65 Cb -1.12 -0.82 0.15 0.00 0.01 0.00 0.00 72.50 70.71 1xax s THR 65 CO 0.55 -0.24 1.72 -0.55 -0.69 0.00 0.00 174.62 175.41 1xax h ASN 66 N 8.24 0.08 -2.19 3.53 -1.07 -1.91 -2.47 115.58 119.79 1xax h ASN 66 Ca -0.16 0.10 -0.71 0.00 0.07 0.00 0.00 56.30 55.59 1xax h ASN 66 Cb 1.13 0.12 -0.33 0.00 -2.07 0.00 0.00 38.32 37.17 1xax h ASN 66 CO 0.29 0.05 0.34 1.33 0.07 0.00 0.00 177.43 179.51 1xax n VAL 67 N -5.08 4.56 -2.76 6.14 0.24 -1.26 -2.22 118.33 117.94 1xax n VAL 67 Ca 0.08 -5.60 -0.41 0.00 -2.04 0.00 0.00 64.34 56.37 1xax n VAL 67 Cb 0.29 -1.45 -0.04 0.00 -1.47 0.00 0.00 33.84 31.18 1xax n VAL 67 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xax s LEU 68 N -3.96 4.47 0.16 1.34 2.96 -0.93 -4.66 118.68 118.05 1xax s LEU 68 Ca 0.44 1.72 -0.04 0.00 -0.22 0.00 0.00 54.13 56.04 1xax s LEU 68 Cb 0.26 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 1xax s LEU 68 CO -0.17 -0.09 0.15 -0.44 -1.32 0.00 0.00 176.35 174.49 1xax s SER 69 N 0.16 0.19 -0.55 3.68 0.01 -1.26 0.18 113.70 116.11 1xax s SER 69 Ca 0.47 -1.13 -0.10 0.00 1.31 0.00 0.00 55.95 56.49 1xax s SER 69 Cb -0.23 0.36 0.14 0.00 0.21 0.00 0.00 66.02 66.51 1xax s SER 69 CO 0.29 -0.81 0.44 -0.36 0.41 0.00 0.00 173.24 173.21 1xax s PHE 70 N -4.04 3.45 -0.02 2.43 0.08 0.30 -4.85 117.98 115.32 1xax s PHE 70 Ca 0.25 -1.89 -0.30 0.00 0.12 0.00 0.00 56.93 55.11 1xax s PHE 70 Cb 0.06 -3.57 -0.03 0.00 -0.57 0.00 0.00 43.02 38.91 1xax s PHE 70 CO 0.03 -0.98 1.10 -1.25 -0.10 0.00 0.00 175.22 174.02 1xax s PRO 71 N 1.06 4.44 1.07 0.24 0.04 -1.26 -0.68 135.00 139.92 1xax s PRO 71 Ca 0.08 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 1xax s PRO 71 Cb -0.24 -3.48 0.20 0.00 0.04 0.00 0.00 34.50 31.02 1xax s PRO 71 CO -0.02 -0.26 0.39 1.97 0.04 0.00 0.00 177.00 179.12 1xax n PHE 72 N 4.50 -2.50 -2.24 0.56 -1.74 -1.26 -4.98 117.46 109.80 1xax n PHE 72 Ca 0.09 -0.11 -0.27 0.00 -0.56 0.00 0.00 57.45 56.59 1xax n PHE 72 Cb 0.48 -1.39 0.05 0.00 1.52 0.00 0.00 39.48 40.14 1xax n PHE 72 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1xax s GLU 73 N -3.69 2.58 -0.66 3.97 -1.05 -1.26 -5.06 118.70 113.55 1xax s GLU 73 Ca 0.41 -0.05 0.03 0.00 -0.15 0.00 0.00 54.97 55.21 1xax s GLU 73 Cb -0.07 -2.19 0.16 0.00 -0.44 0.00 0.00 34.13 31.59 1xax s GLU 73 CO 0.38 -0.99 0.44 0.00 0.95 0.00 0.00 175.26 176.04 1xax n PRO 75 N 2.63 0.00 0.00 0.00 -0.04 -1.26 -4.88 135.00 131.44 1xax n PRO 75 Ca 0.13 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1xax n PRO 75 Cb 0.35 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.50 0.00 -0.32 3.54 9.92 -1.26 -4.94 116.55 121.99 1xax n ASP 76 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.34 1xax n ASP 76 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1xax n ASP 76 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1xax n GLU 77 N -0.51 1.35 -4.32 -1.24 0.00 -1.26 -4.98 120.64 109.68 1xax n GLU 77 Ca 0.00 -2.82 -0.38 0.00 0.00 0.00 0.00 57.16 53.95 1xax n GLU 77 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 29.90 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1xax n VAL 78 N -1.24 -0.66 -1.15 3.84 0.24 -1.26 -4.66 118.33 113.44 1xax n VAL 78 Ca 0.17 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.24 1xax n VAL 78 Cb 0.67 -1.27 -0.11 0.00 -1.47 0.00 0.00 33.84 31.66 1xax n VAL 78 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xax n GLU 79 N -4.25 2.69 -4.00 7.34 1.02 -1.26 -4.61 120.64 117.57 1xax n GLU 79 Ca 0.09 -1.53 -0.09 0.00 -0.02 0.00 0.00 57.16 55.61 1xax n GLU 79 Cb 0.48 -2.31 -0.08 0.00 -0.02 0.00 0.00 31.44 29.50 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 -0.06 1.46 0.00 -4.62 2.34 -1.26 -4.87 118.68 111.67 1xax s LEU 80 Ca 0.68 -0.92 0.00 0.00 0.06 0.00 0.00 54.13 53.94 1xax s LEU 80 Cb 0.27 0.80 0.00 0.00 -0.56 0.00 0.00 46.19 46.70 1xax s LEU 80 CO -0.03 -0.78 0.00 -0.81 -1.06 0.00 0.00 176.35 173.67 1xax n PRO 81 N -0.11 0.00 -1.02 1.48 -0.04 -1.26 -4.60 135.00 129.45 1xax n PRO 81 Ca -0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1xax n PRO 81 Cb 0.63 -0.14 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 1xax n PRO 81 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1xax n LEU 82 N 0.00 -0.42 0.00 1.53 -0.00 -1.26 -4.95 117.00 111.90 1xax n LEU 82 Ca 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 1xax n LEU 82 Cb 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 43.42 41.43 1xax n LEU 82 CO 0.00 -0.39 -0.34 0.18 -0.00 0.00 0.00 177.39 176.84 1xax n LEU 83 N -2.66 0.00 0.00 1.47 7.99 0.09 -4.83 117.00 119.05 1xax n LEU 83 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1xax n LEU 83 Cb 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1xax n LEU 83 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1xax n GLY 84 N 2.07 -1.97 3.82 -0.72 0.00 -1.10 -4.82 105.19 102.47 1xax n GLY 84 Ca 0.00 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.80 5.32 0.10 1.61 1.01 0.14 -0.70 116.67 120.36 1xax s ASP 85 Ca 0.00 -0.40 0.04 0.00 0.71 0.00 0.00 52.55 52.89 1xax s ASP 85 Cb 0.00 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 1xax s ASP 85 CO 0.00 -0.18 -0.10 -0.22 0.21 0.00 0.00 175.17 174.88 1xax s LEU 86 N -3.90 2.41 -0.42 1.23 2.96 -1.06 0.11 118.68 120.01 1xax s LEU 86 Ca 0.36 -0.83 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1xax s LEU 86 Cb -0.07 -0.30 0.17 0.00 0.50 0.00 0.00 46.19 46.49 1xax s LEU 86 CO 0.25 -0.27 0.40 -0.69 -1.32 0.00 0.00 176.35 174.72 1xax s VAL 87 N -2.52 0.02 0.67 1.68 1.01 0.48 0.12 120.40 121.86 1xax s VAL 87 Ca 0.06 -2.12 -0.05 0.00 0.00 0.00 0.00 61.98 59.87 1xax s VAL 87 Cb -0.02 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.45 1xax s VAL 87 CO -0.00 -0.94 0.96 -0.51 0.00 0.00 0.00 175.10 174.61 1xax s ILE 88 N 0.41 2.36 0.17 2.22 1.10 0.56 -2.60 121.20 125.43 1xax s ILE 88 Ca 0.30 -0.35 -0.12 0.00 -0.51 0.00 0.00 60.65 59.96 1xax s ILE 88 Cb -0.01 -3.00 -0.07 0.00 0.15 0.00 0.00 42.46 39.53 1xax s ILE 88 CO -0.14 -0.00 0.54 0.00 -2.11 0.00 0.00 174.94 173.23 1xax n ARG 90 N 0.51 0.88 -0.06 0.00 0.00 -1.23 -3.82 116.66 112.93 1xax n ARG 90 Ca -0.04 -0.33 -0.02 0.00 -0.00 0.00 0.00 57.85 57.46 1xax n ARG 90 Cb 0.52 -1.49 -0.13 0.00 -0.00 0.00 0.00 32.46 31.36 1xax n ARG 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1xax n GLN 91 N -0.77 1.12 -0.07 2.89 6.02 -1.26 -4.09 117.38 121.21 1xax n GLN 91 Ca 0.16 -0.06 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1xax n GLN 91 Cb 0.27 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 1xax n GLN 91 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1xax h VAL 92 N 0.00 0.81 -0.12 5.09 3.04 -1.97 -2.94 116.25 120.16 1xax h VAL 92 Ca -0.29 -1.68 -0.07 0.00 -1.01 0.00 0.00 66.70 63.64 1xax h VAL 92 Cb 1.59 1.60 -0.00 0.00 -2.01 0.00 0.00 31.29 32.47 1xax h VAL 92 CO 0.02 0.27 -0.21 -0.37 -1.01 0.00 0.00 177.57 176.27 1xax h VAL 93 N -1.00 1.37 -0.35 1.51 -1.51 -1.85 0.97 116.25 115.39 1xax h VAL 93 Ca -0.05 -1.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 1xax h VAL 93 Cb 0.64 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.82 1xax h VAL 93 CO -0.03 0.43 0.23 -0.08 -1.23 0.00 0.00 177.57 176.89 1xax h GLU 94 N -0.05 0.46 -0.40 5.19 4.22 -1.77 0.26 114.58 122.49 1xax h GLU 94 Ca 0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.34 1xax h GLU 94 Cb 0.79 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1xax h GLU 94 CO 0.05 0.31 -0.08 -0.09 -2.18 0.00 0.00 179.01 177.01 1xax h ARG 95 N 0.48 0.76 -0.30 1.92 2.43 -1.54 0.36 114.38 118.48 1xax h ARG 95 Ca 0.13 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1xax h ARG 95 Cb -0.05 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1xax h ARG 95 CO -0.03 0.89 0.18 0.93 -1.51 0.00 0.00 179.97 180.43 1xax h GLU 96 N 0.58 0.36 0.22 0.20 4.39 -0.46 0.34 114.58 120.22 1xax h GLU 96 Ca 0.10 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1xax h GLU 96 Cb 0.59 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1xax h GLU 96 CO 0.04 0.24 -0.11 0.00 -1.16 0.00 0.00 179.01 178.02 1xax h ALA 97 N 1.13 -0.30 -0.32 3.43 0.00 -0.40 0.27 119.26 123.07 1xax h ALA 97 Ca 0.12 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1xax h ALA 97 Cb -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xax h ALA 97 CO -0.05 -0.39 0.22 0.66 0.00 0.00 0.00 179.25 179.70 1xax h SER 98 N -0.86 0.11 0.10 0.00 4.64 -0.28 -0.11 113.55 117.16 1xax h SER 98 Ca -0.03 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.08 1xax h SER 98 Cb 0.51 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1xax h SER 98 CO 0.05 0.07 -1.02 -0.08 -0.87 0.00 0.00 176.83 174.98 1xax h GLU 99 N 0.13 0.22 -0.14 4.77 4.81 -0.32 -3.32 114.58 120.73 1xax h GLU 99 Ca 0.15 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1xax h GLU 99 Cb 0.42 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1xax h GLU 99 CO -0.02 1.18 0.09 1.96 -0.73 0.00 0.00 179.01 181.49 1xax h GLN 100 N -0.46 0.15 -3.05 1.92 4.20 -0.01 -3.46 115.11 114.40 1xax h GLN 100 Ca -0.21 -0.01 -0.40 0.00 0.06 0.00 0.00 58.65 58.09 1xax h GLN 100 Cb 1.60 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.34 1xax h GLN 100 CO 0.07 0.10 -0.52 -1.91 -0.67 0.00 0.00 178.83 175.89 1xax n GLU 101 N -4.52 -2.02 -3.49 1.46 0.00 -0.09 -4.99 120.64 106.99 1xax n GLU 101 Ca -0.01 0.96 -0.21 0.00 0.00 0.00 0.00 57.16 57.90 1xax n GLU 101 Cb 0.11 -5.59 -0.02 0.00 0.00 0.00 0.00 31.44 25.94 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 -5.09 2.53 -0.31 5.31 3.01 -1.26 -5.02 119.74 118.91 1xax s LYS 102 Ca 0.04 -1.55 -0.34 0.00 -1.01 0.00 0.00 55.97 53.10 1xax s LYS 102 Cb -0.02 -2.42 -0.11 0.00 -1.01 0.00 0.00 37.83 34.28 1xax s LYS 102 CO 0.05 -0.29 2.16 -2.30 0.51 0.00 0.00 175.35 175.48 1xax n PRO 103 N -1.65 1.27 0.27 -1.68 -0.02 -1.26 -4.81 135.00 127.12 1xax n PRO 103 Ca 0.04 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1xax n PRO 103 Cb 0.62 -2.57 0.78 0.00 -0.02 0.00 0.00 33.50 32.31 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 12.35 0.00 -0.12 2.45 3.38 -1.95 -2.99 115.31 128.43 1xax h LEU 104 Ca -0.31 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1xax h LEU 104 Cb 1.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 1xax h LEU 104 CO 1.00 0.08 -0.37 -0.03 0.09 0.00 0.00 178.44 179.21 1xax h MET 105 N 0.00 -0.44 -0.26 1.13 4.05 -1.99 -1.28 114.93 116.14 1xax h MET 105 Ca -0.00 0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 1xax h MET 105 Cb 0.22 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1xax h MET 105 CO 0.01 -0.29 -0.24 0.00 0.23 0.00 0.00 176.91 176.62 1xax h ALA 106 N 0.25 1.12 -0.49 0.39 0.00 -1.93 -3.06 119.26 115.53 1xax h ALA 106 Ca 0.08 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xax h ALA 106 Cb 0.59 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1xax h ALA 106 CO -0.37 0.55 -0.02 1.25 0.00 0.00 0.00 179.25 180.67 1xax h HIS 107 N 0.43 -0.06 0.43 0.00 6.17 -1.17 0.18 115.15 121.13 1xax h HIS 107 Ca 0.06 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.16 1xax h HIS 107 Cb 0.65 0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.68 1xax h HIS 107 CO 0.02 -0.13 -0.21 -1.49 0.71 0.00 0.00 177.93 176.84 1xax h TRP 108 N 0.10 -0.54 -0.99 5.26 -0.00 -1.23 1.19 115.95 119.74 1xax h TRP 108 Ca 0.25 -0.01 0.20 0.00 -0.00 0.00 0.00 58.89 59.33 1xax h TRP 108 Cb 0.38 0.18 -0.10 0.00 -0.00 0.00 0.00 29.16 29.62 1xax h TRP 108 CO -0.33 -0.32 0.62 0.00 -0.00 0.00 0.00 178.44 178.41 1xax h ALA 109 N -0.04 1.85 0.06 1.49 0.00 -1.35 0.26 119.26 121.53 1xax h ALA 109 Ca -0.06 0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1xax h ALA 109 Cb 0.46 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xax h ALA 109 CO 0.10 -0.21 -1.11 1.25 0.00 0.00 0.00 179.25 179.28 1xax h HIS 110 N 0.65 0.77 -0.60 0.00 -0.00 -0.17 -2.84 115.15 112.96 1xax h HIS 110 Ca 0.56 -0.47 0.05 0.00 -0.00 0.00 0.00 60.37 60.51 1xax h HIS 110 Cb 1.02 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 28.32 1xax h HIS 110 CO -0.00 1.31 0.33 1.98 -0.00 0.00 0.00 177.93 181.55 1xax h MET 111 N 0.23 0.62 -0.01 5.26 -1.53 0.46 0.33 114.93 120.30 1xax h MET 111 Ca -0.13 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.09 1xax h MET 111 Cb 1.78 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 32.69 1xax h MET 111 CO 0.20 0.41 -0.01 -0.39 0.14 0.00 0.00 176.91 177.26 1xax h VAL 112 N 0.64 1.34 0.74 -5.77 -1.51 -0.84 -0.90 116.25 109.95 1xax h VAL 112 Ca 0.26 -1.01 -0.04 0.00 -1.23 0.00 0.00 66.70 64.68 1xax h VAL 112 Cb 0.12 2.00 0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1xax h VAL 112 CO -0.15 0.27 -0.36 0.58 -1.23 0.00 0.00 177.57 176.68 1xax h VAL 113 N -0.39 0.12 -0.80 7.19 2.07 -1.31 0.12 116.25 123.25 1xax h VAL 113 Ca 0.00 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1xax h VAL 113 Cb 0.44 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1xax h VAL 113 CO 0.00 0.01 0.48 1.12 0.02 0.00 0.00 177.57 179.21 1xax h HIS 114 N -1.18 0.89 0.00 1.57 2.07 -0.46 0.82 115.15 118.87 1xax h HIS 114 Ca -0.10 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 1xax h HIS 114 Cb 0.78 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 30.48 1xax h HIS 114 CO -0.00 0.46 0.00 0.41 -3.07 0.00 0.00 177.93 175.72 1xax n GLY 115 N -1.31 -1.47 0.28 6.13 0.00 -0.34 -2.93 105.19 105.55 1xax n GLY 115 Ca 0.11 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1xax n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xax n SER 116 N -2.18 1.71 -0.23 1.61 2.88 0.41 -4.16 113.62 113.66 1xax n SER 116 Ca 0.04 0.29 0.13 0.00 -1.33 0.00 0.00 58.87 58.00 1xax n SER 116 Cb 0.32 -0.66 0.42 0.00 -0.75 0.00 0.00 64.21 63.54 1xax n SER 116 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1xax h LEU 117 N -0.81 0.56 -0.23 2.46 7.12 0.46 0.22 115.31 125.09 1xax h LEU 117 Ca -0.21 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 1xax h LEU 117 Cb 1.06 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.11 1xax h LEU 117 CO -0.13 0.29 -0.05 0.45 -0.13 0.00 0.00 178.44 178.87 1xax h HIS 118 N 0.59 0.00 0.00 1.25 3.86 -1.68 -2.55 115.15 116.62 1xax h HIS 118 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1xax h HIS 118 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1xax h HIS 118 CO -0.00 0.05 -0.39 1.25 0.86 0.00 0.00 177.93 179.71 1xax h LEU 119 N 0.00 0.00 0.03 2.43 7.12 -1.18 -3.44 115.31 120.27 1xax h LEU 119 Ca -0.00 0.00 -0.39 0.00 0.13 0.00 0.00 57.88 57.62 1xax h LEU 119 Cb 0.96 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.04 1xax h LEU 119 CO 0.01 0.62 -2.38 0.00 -0.13 0.00 0.00 178.44 176.56 1xax n LEU 120 N -4.31 2.91 -1.55 2.25 -0.00 -0.40 -5.03 117.00 110.87 1xax n LEU 120 Ca -0.05 -0.07 -0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1xax n LEU 120 Cb 0.20 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1xax n LEU 120 CO 0.08 0.92 0.01 0.61 -0.00 0.00 0.00 177.39 179.01 1xax n GLY 121 N 2.20 -0.25 0.00 1.47 0.00 -0.96 -4.87 105.19 102.78 1xax n GLY 121 Ca -0.43 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.06 0.00 0.41 1.61 0.18 -1.26 -2.34 117.16 114.69 1xax n TYR 122 Ca -0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1xax n TYR 122 Cb 0.50 -0.04 0.11 0.00 -0.38 0.00 0.00 39.34 39.53 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1xax n ASP 123 N -1.00 2.59 0.00 9.48 2.03 -1.26 -4.67 116.55 123.72 1xax n ASP 123 Ca 0.00 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.99 1xax n ASP 123 Cb 0.00 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 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 0.15 0.00 -0.43 -0.67 -0.00 -0.99 -4.70 115.22 108.59 1xax n HIS 124 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 1xax n HIS 124 Cb 0.60 0.00 0.23 0.00 -0.00 0.00 0.00 29.99 30.82 1xax n HIS 124 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 1xax n ILE 125 N 0.00 0.00 -0.03 0.61 -0.00 -1.26 -4.95 119.36 113.72 1xax n ILE 125 Ca 0.00 -0.14 -0.06 0.00 -0.00 0.00 0.00 62.75 62.55 1xax n ILE 125 Cb 0.00 -0.77 -0.03 0.00 -0.00 0.00 0.00 39.64 38.84 1xax n ILE 125 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1xax n GLU 126 N -3.85 0.14 0.04 6.28 2.13 -1.26 -3.92 120.64 120.20 1xax n GLU 126 Ca 0.07 0.05 0.12 0.00 0.66 0.00 0.00 57.16 58.06 1xax n GLU 126 Cb 0.52 -0.89 0.19 0.00 0.27 0.00 0.00 31.44 31.52 1xax n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xax n ASP 127 N -3.04 0.62 0.00 4.31 9.92 -1.26 -3.70 116.55 123.41 1xax n ASP 127 Ca -0.12 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1xax n ASP 127 Cb 0.60 0.22 0.00 0.00 -0.64 0.00 0.00 41.12 41.30 1xax n ASP 127 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1xax n ASP 128 N -1.92 0.00 0.11 -2.24 2.03 -1.26 -4.79 116.55 108.48 1xax n ASP 128 Ca 0.04 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.47 1xax n ASP 128 Cb 0.41 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.97 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xax h GLU 129 N 0.00 0.00 -0.02 -0.67 4.57 -1.85 -3.38 114.58 113.23 1xax h GLU 129 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1xax h GLU 129 Cb 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 1xax h GLU 129 CO 0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 179.01 177.48 1xax h ALA 130 N 2.28 -0.50 0.67 2.92 0.00 -1.70 1.12 119.26 124.05 1xax h ALA 130 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xax h ALA 130 Cb 0.86 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1xax h ALA 130 CO 0.00 -0.86 -0.48 1.49 0.00 0.00 0.00 179.25 179.40 1xax h GLU 131 N -0.49 -1.07 0.07 0.00 4.57 -1.73 0.30 114.58 116.23 1xax h GLU 131 Ca 0.06 0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1xax h GLU 131 Cb 0.58 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 1xax h GLU 131 CO -0.30 -0.71 -0.18 1.49 -1.18 0.00 0.00 179.01 178.13 1xax h GLU 132 N -1.11 -0.31 -0.11 1.92 4.81 -1.71 0.37 114.58 118.44 1xax h GLU 132 Ca -0.09 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1xax h GLU 132 Cb 0.91 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 1xax h GLU 132 CO 0.04 -0.21 -0.17 1.98 -0.73 0.00 0.00 179.01 179.92 1xax h MET 133 N -0.32 -0.22 -0.57 1.92 4.05 0.14 0.87 114.93 120.79 1xax h MET 133 Ca 0.04 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1xax h MET 133 Cb 0.36 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1xax h MET 133 CO -0.12 -0.14 0.35 0.93 0.23 0.00 0.00 176.91 178.15 1xax h GLU 134 N -0.22 0.78 0.75 0.39 5.08 -0.17 0.63 114.58 121.82 1xax h GLU 134 Ca 0.09 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1xax h GLU 134 Cb 0.35 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xax h GLU 134 CO -0.24 0.56 -0.36 0.77 -1.00 0.00 0.00 179.01 178.73 1xax h SER 135 N 0.77 -0.86 -0.45 1.42 0.02 0.37 0.24 113.55 115.07 1xax h SER 135 Ca 0.21 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1xax h SER 135 Cb -0.02 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1xax h SER 135 CO -0.04 -0.52 0.28 0.17 -1.14 0.00 0.00 176.83 175.58 1xax h LEU 136 N -1.18 0.46 0.49 5.07 8.10 0.79 0.31 115.31 129.34 1xax h LEU 136 Ca -0.10 -0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.87 1xax h LEU 136 Cb 0.79 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.90 1xax h LEU 136 CO 0.17 0.33 -0.34 -0.08 -4.11 0.00 0.00 178.44 174.41 1xax h GLU 137 N 0.56 -0.77 0.00 0.17 4.81 0.29 -0.03 114.58 119.61 1xax h GLU 137 Ca 0.18 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1xax h GLU 137 Cb -0.01 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1xax h GLU 137 CO -0.07 -0.52 -0.01 1.15 -0.73 0.00 0.00 179.01 178.84 1xax h THR 138 N -0.80 0.13 0.05 0.32 2.02 -0.33 0.19 112.91 114.48 1xax h THR 138 Ca -0.05 -0.08 -0.25 0.00 0.77 0.00 0.00 66.41 66.80 1xax h THR 138 Cb 0.67 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1xax h THR 138 CO 0.03 0.01 -1.07 -0.61 0.37 0.00 0.00 175.52 174.24 1xax h GLN 139 N 0.00 0.48 0.12 6.66 4.15 0.99 1.22 115.11 128.73 1xax h GLN 139 Ca -0.00 -0.57 -0.31 0.00 0.77 0.00 0.00 58.65 58.53 1xax h GLN 139 Cb 0.06 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1xax h GLN 139 CO 0.00 1.21 -1.57 0.82 -1.93 0.00 0.00 178.83 177.37 1xax h ILE 140 N 0.24 1.11 0.00 2.39 2.04 -0.05 -2.42 117.51 120.81 1xax h ILE 140 Ca -0.12 -2.75 -0.10 0.00 1.00 0.00 0.00 64.86 62.89 1xax h ILE 140 Cb 1.73 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 40.54 1xax h ILE 140 CO 0.19 0.82 -0.63 0.24 0.00 0.00 0.00 178.15 178.76 1xax h MET 141 N 0.07 0.00 0.10 2.37 2.86 -0.77 -3.37 114.93 116.20 1xax h MET 141 Ca -0.26 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.11 1xax h MET 141 Cb 2.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.68 1xax h MET 141 CO 0.16 0.70 -1.40 0.37 1.06 0.00 0.00 176.91 177.79 1xax h GLN 142 N -1.00 0.22 -0.79 1.72 4.15 -0.15 -3.20 115.11 116.06 1xax h GLN 142 Ca -0.15 -0.38 0.18 0.00 0.77 0.00 0.00 58.65 59.07 1xax h GLN 142 Cb 0.92 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 28.61 1xax h GLN 142 CO -0.09 1.18 -0.02 0.78 -1.93 0.00 0.00 178.83 178.75 1xax h GLY 143 N 0.03 0.86 2.00 2.39 0.00 0.17 0.36 103.07 108.88 1xax h GLY 143 Ca -0.31 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1xax h GLY 143 CO 0.04 -0.31 -0.28 1.41 0.00 0.00 0.00 176.54 177.39 1xax h LEU 144 N 0.08 0.00 -2.52 3.11 4.07 -1.71 -3.49 115.31 114.86 1xax h LEU 144 Ca 0.43 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 58.17 1xax h LEU 144 Cb 0.76 0.00 0.17 0.00 1.08 0.00 0.00 40.66 42.68 1xax h LEU 144 CO -0.71 0.28 -0.74 0.61 -1.08 0.00 0.00 178.44 176.80 1xax n GLY 145 N 1.06 -0.92 0.00 0.83 0.00 0.13 -5.12 105.19 101.17 1xax n GLY 145 Ca 0.03 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.55 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01