#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfl s ALA 2 N 0.00 0.43 0.00 3.17 0.00 -1.26 -5.09 121.76 119.01 1xfl s ALA 2 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1xfl s ALA 2 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1xfl s ALA 2 CO 0.00 0.06 0.00 0.43 0.00 0.00 0.00 175.76 176.25 1xfl n SER 3 N 2.56 -3.87 0.00 0.00 7.64 -1.26 -4.78 113.62 113.91 1xfl n SER 3 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1xfl n SER 3 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1xfl n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1xfl n GLU 4 N -0.87 0.00 0.00 1.43 4.07 -1.26 -5.09 120.64 118.92 1xfl n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xfl n GLU 4 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1xfl n GLU 4 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1xfl n GLU 5 N -1.01 0.00 -0.41 5.31 4.71 -1.26 -4.92 120.64 123.06 1xfl n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1xfl n GLU 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1xfl n GLU 5 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xfl n GLY 6 N 0.00 0.78 3.26 0.62 0.00 -1.24 -4.92 105.19 103.68 1xfl n GLY 6 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1xfl n GLY 6 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xfl s GLN 7 N -0.67 1.12 -0.12 1.61 1.03 -1.26 -4.52 119.66 116.84 1xfl s GLN 7 Ca 0.00 -1.52 0.01 0.00 0.04 0.00 0.00 55.36 53.89 1xfl s GLN 7 Cb 0.00 -0.44 -0.01 0.00 0.03 0.00 0.00 33.01 32.59 1xfl s GLN 7 CO 0.00 -0.05 -0.17 0.08 -2.54 0.00 0.00 175.29 172.61 1xfl s VAL 8 N -3.50 2.68 -0.39 3.63 1.01 -1.26 -4.67 120.40 117.89 1xfl s VAL 8 Ca 0.22 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1xfl s VAL 8 Cb 0.05 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1xfl s VAL 8 CO 0.03 0.53 1.05 -0.63 0.00 0.00 0.00 175.10 176.08 1xfl s ILE 9 N 0.41 4.43 -0.46 2.22 1.09 -0.48 -4.72 121.20 123.69 1xfl s ILE 9 Ca -0.13 1.37 -0.23 0.00 -1.10 0.00 0.00 60.65 60.56 1xfl s ILE 9 Cb -0.17 -4.46 0.03 0.00 -1.06 0.00 0.00 42.46 36.81 1xfl s ILE 9 CO 0.06 -0.69 0.80 0.00 -0.10 0.00 0.00 174.94 175.02 1xfl s ALA 10 N 3.87 3.28 -0.12 9.38 0.00 -1.26 -0.07 121.76 136.85 1xfl s ALA 10 Ca 0.44 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 1xfl s ALA 10 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1xfl s ALA 10 CO 0.22 -1.98 0.43 0.00 0.00 0.00 0.00 175.76 174.43 1xfl n HIS 12 N 3.48 0.00 -4.04 0.00 8.25 -1.26 -3.61 115.22 118.04 1xfl n HIS 12 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 1xfl n HIS 12 Cb 0.52 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.52 1xfl n HIS 12 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xfl s THR 13 N -0.77 0.30 -0.06 1.59 -4.23 -1.26 -4.67 115.64 106.53 1xfl s THR 13 Ca 0.10 -1.26 0.27 0.00 -1.18 0.00 0.00 61.69 59.62 1xfl s THR 13 Cb 0.07 -0.77 0.31 0.00 1.34 0.00 0.00 72.50 73.45 1xfl s THR 13 CO 0.12 -0.62 1.79 1.62 -0.54 0.00 0.00 174.62 176.99 1xfl h VAL 14 N 4.10 0.22 -0.03 2.29 3.04 -1.98 -2.76 116.25 121.13 1xfl h VAL 14 Ca -0.34 -0.96 0.02 0.00 -1.01 0.00 0.00 66.70 64.42 1xfl h VAL 14 Cb 1.19 1.79 -0.03 0.00 -2.01 0.00 0.00 31.29 32.23 1xfl h VAL 14 CO 0.49 0.10 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.70 1xfl h GLU 15 N 0.00 -0.19 -0.48 4.17 3.07 -1.99 0.40 114.58 119.56 1xfl h GLU 15 Ca -0.00 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1xfl h GLU 15 Cb 0.79 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1xfl h GLU 15 CO 0.01 -0.12 -0.02 1.15 -1.40 0.00 0.00 179.01 178.63 1xfl h THR 16 N -0.19 1.26 -0.24 1.13 2.02 -1.96 -2.14 112.91 112.80 1xfl h THR 16 Ca 0.06 -1.10 0.05 0.00 0.77 0.00 0.00 66.41 66.18 1xfl h THR 16 Cb 0.27 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1xfl h THR 16 CO -0.15 0.38 -0.06 -0.25 0.37 0.00 0.00 175.52 175.82 1xfl h TRP 17 N 0.71 -0.13 -0.27 3.16 2.91 -1.20 -1.01 115.95 120.12 1xfl h TRP 17 Ca 0.13 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1xfl h TRP 17 Cb 0.54 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.27 1xfl h TRP 17 CO 0.04 -0.10 0.18 -0.97 -1.03 0.00 0.00 178.44 176.55 1xfl h ASN 18 N 0.00 0.31 -0.32 2.65 -0.73 -0.10 -1.16 115.58 116.23 1xfl h ASN 18 Ca 0.12 -0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.31 1xfl h ASN 18 Cb 0.18 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1xfl h ASN 18 CO -0.25 0.22 0.13 -0.08 -0.37 0.00 0.00 177.43 177.08 1xfl h GLU 19 N 0.36 0.28 -0.46 6.67 4.81 -1.03 0.39 114.58 125.60 1xfl h GLU 19 Ca 0.10 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1xfl h GLU 19 Cb -0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1xfl h GLU 19 CO -0.02 0.18 -0.15 1.96 -0.73 0.00 0.00 179.01 180.25 1xfl h GLN 20 N 0.28 0.88 -0.36 1.92 1.08 -0.99 0.21 115.11 118.13 1xfl h GLN 20 Ca 0.14 -0.33 -0.05 0.00 -1.45 0.00 0.00 58.65 56.97 1xfl h GLN 20 Cb 0.08 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1xfl h GLN 20 CO -0.12 0.97 0.05 -0.07 -0.95 0.00 0.00 178.83 178.70 1xfl h LEU 21 N 0.78 0.58 -0.40 1.46 3.38 -0.88 0.10 115.31 120.33 1xfl h LEU 21 Ca 0.12 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xfl h LEU 21 Cb 0.68 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1xfl h LEU 21 CO 0.05 0.71 0.19 -0.61 0.09 0.00 0.00 178.44 178.86 1xfl h GLN 22 N 0.43 0.38 -0.96 1.13 4.15 -0.71 0.13 115.11 119.66 1xfl h GLN 22 Ca 0.11 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1xfl h GLN 22 Cb 0.38 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1xfl h GLN 22 CO 0.01 0.25 0.63 -0.22 -1.93 0.00 0.00 178.83 177.57 1xfl h LYS 23 N 0.39 1.26 -0.31 1.69 3.64 -0.68 0.51 116.57 123.06 1xfl h LYS 23 Ca 0.17 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 1xfl h LYS 23 Cb 0.09 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1xfl h LYS 23 CO -0.13 0.83 -0.46 0.00 -2.27 0.00 0.00 179.45 177.42 1xfl h ALA 24 N 1.35 0.59 0.19 5.00 0.00 -0.26 -1.98 119.26 124.16 1xfl h ALA 24 Ca 0.35 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xfl h ALA 24 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xfl h ALA 24 CO -0.08 0.68 -0.09 -0.97 0.00 0.00 0.00 179.25 178.79 1xfl h ASN 25 N 0.65 -0.21 -0.89 0.00 -0.73 0.06 0.32 115.58 114.77 1xfl h ASN 25 Ca 0.04 -0.31 0.01 0.00 1.87 0.00 0.00 56.30 57.91 1xfl h ASN 25 Cb 1.04 0.05 -0.05 0.00 0.27 0.00 0.00 38.32 39.64 1xfl h ASN 25 CO 0.10 0.25 0.59 -0.08 -0.37 0.00 0.00 177.43 177.92 1xfl h GLU 26 N -0.74 1.16 -0.06 6.67 4.81 -0.09 -0.45 114.58 125.88 1xfl h GLU 26 Ca -0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xfl h GLU 26 Cb 0.51 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xfl h GLU 26 CO 0.04 0.77 0.00 0.45 -0.73 0.00 0.00 179.01 179.54 1xfl n SER 27 N -4.47 1.65 -3.87 1.04 2.88 -0.75 -4.93 113.62 105.18 1xfl n SER 27 Ca 0.10 -1.59 -0.29 0.00 -1.33 0.00 0.00 58.87 55.77 1xfl n SER 27 Cb 0.02 -0.03 0.03 0.00 -0.75 0.00 0.00 64.21 63.48 1xfl n SER 27 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xfl n LYS 28 N 0.29 -5.61 -4.15 -1.46 5.02 -0.18 -4.97 118.16 107.10 1xfl n LYS 28 Ca 0.18 0.61 -0.33 0.00 -2.02 0.00 0.00 58.31 56.75 1xfl n LYS 28 Cb 0.36 -5.47 -0.07 0.00 -0.02 0.00 0.00 35.03 29.83 1xfl n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xfl s THR 29 N -3.35 4.62 0.24 -0.18 2.01 0.10 -4.74 115.64 114.33 1xfl s THR 29 Ca 0.57 -0.41 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1xfl s THR 29 Cb -0.29 -3.09 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1xfl s THR 29 CO 0.82 0.39 0.81 -1.48 -0.69 0.00 0.00 174.62 174.47 1xfl s LEU 30 N -1.61 4.43 -0.03 4.42 -0.00 -1.26 -4.29 118.68 120.34 1xfl s LEU 30 Ca 0.21 1.63 0.06 0.00 -0.00 0.00 0.00 54.13 56.04 1xfl s LEU 30 Cb -0.12 -3.63 -0.01 0.00 -0.00 0.00 0.00 46.19 42.43 1xfl s LEU 30 CO 0.12 0.06 -0.22 0.54 -0.00 0.00 0.00 176.35 176.85 1xfl s VAL 31 N -1.42 1.75 -0.20 1.48 0.11 -1.25 -3.81 120.40 117.05 1xfl s VAL 31 Ca 0.43 -0.92 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 1xfl s VAL 31 Cb -0.20 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.17 1xfl s VAL 31 CO 0.24 0.49 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.75 1xfl s VAL 32 N -0.31 3.33 -0.08 2.04 1.01 -0.27 -3.39 120.40 122.73 1xfl s VAL 32 Ca 0.03 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1xfl s VAL 32 Cb -0.10 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1xfl s VAL 32 CO 0.01 0.45 -0.23 -0.69 0.00 0.00 0.00 175.10 174.63 1xfl s VAL 33 N 1.22 2.17 -0.32 2.92 1.01 -0.41 -1.50 120.40 125.50 1xfl s VAL 33 Ca 0.03 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1xfl s VAL 33 Cb -0.14 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1xfl s VAL 33 CO -0.02 0.56 0.10 -0.62 0.00 0.00 0.00 175.10 175.13 1xfl s ASP 34 N 0.06 5.25 -0.32 3.32 -1.08 0.11 0.25 116.67 124.25 1xfl s ASP 34 Ca -0.10 -0.92 -0.16 0.00 -0.52 0.00 0.00 52.55 50.85 1xfl s ASP 34 Cb -0.15 -1.89 -0.02 0.00 -1.46 0.00 0.00 42.92 39.40 1xfl s ASP 34 CO 0.06 -0.27 0.41 -0.36 0.52 0.00 0.00 175.17 175.53 1xfl s PHE 35 N 1.46 3.21 0.37 -5.34 0.40 0.85 -0.10 117.98 118.83 1xfl s PHE 35 Ca 0.01 0.15 -0.12 0.00 -0.60 0.00 0.00 56.93 56.37 1xfl s PHE 35 Cb -0.18 -2.71 0.04 0.00 0.51 0.00 0.00 43.02 40.67 1xfl s PHE 35 CO 0.03 -0.41 0.70 -0.08 0.70 0.00 0.00 175.22 176.16 1xfl s THR 36 N 2.13 0.00 0.01 0.64 -1.32 0.22 -1.60 115.64 115.73 1xfl s THR 36 Ca 0.15 -1.18 0.02 0.00 -1.21 0.00 0.00 61.69 59.46 1xfl s THR 36 Cb -0.16 -2.80 -0.01 0.00 -1.51 0.00 0.00 72.50 68.02 1xfl s THR 36 CO 0.12 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.47 1xfl s ALA 37 N -2.55 0.43 0.26 11.08 0.00 -1.26 -0.49 121.76 129.22 1xfl s ALA 37 Ca 0.20 -0.41 0.30 0.00 0.00 0.00 0.00 51.96 52.04 1xfl s ALA 37 Cb -0.04 -0.03 1.36 0.00 0.00 0.00 0.00 23.12 24.41 1xfl s ALA 37 CO 0.14 0.04 2.00 1.03 0.00 0.00 0.00 175.76 178.97 1xfl h SER 38 N 5.42 0.00 0.00 0.00 0.87 -1.98 -2.08 113.55 115.79 1xfl h SER 38 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1xfl h SER 38 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1xfl h SER 38 CO 0.46 0.11 0.00 -2.67 -0.53 0.00 0.00 176.83 174.20 1xfl n TRP 39 N -3.34 0.00 -3.40 2.24 4.27 -1.26 -4.71 117.44 111.24 1xfl n TRP 39 Ca -0.01 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.22 1xfl n TRP 39 Cb 0.30 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.17 1xfl n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xfl h GLY 41 N 7.85 -0.52 1.72 0.00 0.00 -1.88 -2.26 103.07 107.98 1xfl h GLY 41 Ca -0.35 0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.21 1xfl h GLY 41 CO 0.70 -0.19 0.11 -2.55 0.00 0.00 0.00 176.54 174.62 1xfl h PRO 42 N -0.52 0.05 -0.14 4.80 0.11 -1.98 -0.23 132.00 134.10 1xfl h PRO 42 Ca -0.05 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1xfl h PRO 42 Cb 0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1xfl h PRO 42 CO 0.08 0.04 -0.20 0.00 -0.21 0.00 0.00 178.00 177.71 1xfl h ARG 44 N 0.22 0.12 0.00 0.00 2.43 -0.42 -3.05 114.38 113.68 1xfl h ARG 44 Ca 0.04 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 1xfl h ARG 44 Cb 0.49 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xfl h ARG 44 CO 0.03 1.00 -0.50 0.35 -1.51 0.00 0.00 179.97 179.34 1xfl h PHE 45 N 0.05 0.00 0.00 2.20 3.57 -1.03 -2.82 116.94 118.91 1xfl h PHE 45 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1xfl h PHE 45 Cb 1.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1xfl h PHE 45 CO 0.02 0.50 -0.44 1.51 -2.23 0.00 0.00 178.31 177.67 1xfl n ILE 46 N -3.69 0.25 -0.01 1.41 0.13 -0.66 -4.21 119.36 112.57 1xfl n ILE 46 Ca -0.01 -0.17 -0.10 0.00 -1.10 0.00 0.00 62.75 61.38 1xfl n ILE 46 Cb 0.56 -0.13 -0.04 0.00 -0.84 0.00 0.00 39.64 39.19 1xfl n ILE 46 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1xfl h ALA 47 N 2.70 0.10 -0.30 1.51 0.00 -1.38 -1.03 119.26 120.85 1xfl h ALA 47 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xfl h ALA 47 Cb 0.65 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1xfl h ALA 47 CO 0.00 -0.48 0.10 -1.35 0.00 0.00 0.00 179.25 177.52 1xfl h PRO 48 N 0.01 0.42 -0.13 0.00 0.11 -1.74 0.06 132.00 130.73 1xfl h PRO 48 Ca 0.06 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 1xfl h PRO 48 Cb 0.09 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.13 1xfl h PRO 48 CO -0.13 0.37 -0.62 0.35 -0.21 0.00 0.00 178.00 177.76 1xfl h PHE 49 N 0.42 0.87 -0.21 0.65 3.57 -1.72 -1.83 116.94 118.69 1xfl h PHE 49 Ca 0.10 -0.38 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 1xfl h PHE 49 Cb 0.12 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xfl h PHE 49 CO 0.00 1.19 -0.18 0.35 -2.23 0.00 0.00 178.31 177.44 1xfl h PHE 50 N 0.31 0.39 -0.02 0.41 3.57 -0.77 0.12 116.94 120.94 1xfl h PHE 50 Ca -0.04 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.30 1xfl h PHE 50 Cb 1.26 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1xfl h PHE 50 CO 0.10 0.53 -0.45 0.00 -2.23 0.00 0.00 178.31 176.26 1xfl h ALA 51 N 1.48 1.23 -0.09 2.41 0.00 -0.88 -1.30 119.26 122.11 1xfl h ALA 51 Ca 0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1xfl h ALA 51 Cb 0.52 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xfl h ALA 51 CO 0.03 0.57 -0.62 0.22 0.00 0.00 0.00 179.25 179.46 1xfl h ASP 52 N 0.03 0.69 -0.92 0.00 3.58 -0.43 -2.87 116.42 116.51 1xfl h ASP 52 Ca -0.00 -0.67 0.13 0.00 0.42 0.00 0.00 57.03 56.91 1xfl h ASP 52 Cb 0.81 -0.21 -0.09 0.00 1.72 0.00 0.00 39.33 41.57 1xfl h ASP 52 CO 0.06 1.25 0.54 -0.07 -2.88 0.00 0.00 179.24 178.14 1xfl h LEU 53 N 0.18 0.75 -1.40 2.28 3.38 -0.77 0.03 115.31 119.76 1xfl h LEU 53 Ca -0.05 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xfl h LEU 53 Cb 1.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1xfl h LEU 53 CO 0.13 0.38 0.01 0.00 0.09 0.00 0.00 178.44 179.04 1xfl h ALA 54 N 1.53 1.52 0.00 1.53 0.00 -1.12 -1.73 119.26 120.98 1xfl h ALA 54 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xfl h ALA 54 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xfl h ALA 54 CO -0.29 0.35 -0.04 -0.22 0.00 0.00 0.00 179.25 179.04 1xfl h LYS 55 N 0.39 0.00 -0.30 0.00 3.64 -0.82 -3.24 116.57 116.23 1xfl h LYS 55 Ca 0.09 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 1xfl h LYS 55 Cb 0.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1xfl h LYS 55 CO 0.01 0.00 -0.52 0.87 -2.27 0.00 0.00 179.45 177.54 1xfl h LYS 56 N 0.00 0.87 -4.49 1.90 1.79 -0.28 -3.40 116.57 112.95 1xfl h LYS 56 Ca 0.00 -0.53 -0.70 0.00 -2.18 0.00 0.00 60.65 57.24 1xfl h LYS 56 Cb 0.98 0.06 -0.34 0.00 -1.58 0.00 0.00 32.23 31.35 1xfl h LYS 56 CO 0.00 1.17 -0.54 -0.51 -1.08 0.00 0.00 179.45 178.49 1xfl s LEU 57 N -8.70 5.17 0.37 2.94 1.43 -1.14 -4.97 118.68 113.78 1xfl s LEU 57 Ca -0.10 -1.93 0.11 0.00 -1.03 0.00 0.00 54.13 51.18 1xfl s LEU 57 Cb 0.10 -1.84 0.74 0.00 0.03 0.00 0.00 46.19 45.22 1xfl s LEU 57 CO 0.89 -0.53 1.86 1.55 0.23 0.00 0.00 176.35 180.35 1xfl h PRO 58 N 8.10 0.13 0.00 1.29 0.13 -1.78 -3.01 132.00 136.86 1xfl h PRO 58 Ca -0.15 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1xfl h PRO 58 Cb 1.05 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xfl h PRO 58 CO 0.70 0.39 -1.06 -1.71 -0.23 0.00 0.00 178.00 176.09 1xfl n ASN 59 N -4.18 0.79 -4.74 1.44 5.15 -1.26 -4.81 115.26 107.65 1xfl n ASN 59 Ca -0.01 0.30 -0.40 0.00 -0.60 0.00 0.00 54.58 53.86 1xfl n ASN 59 Cb 0.34 0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 40.08 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xfl s VAL 60 N -3.37 4.83 -0.13 3.44 1.01 -1.14 -4.93 120.40 120.12 1xfl s VAL 60 Ca -0.01 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 1xfl s VAL 60 Cb 0.10 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1xfl s VAL 60 CO 0.80 0.33 0.48 -0.76 0.00 0.00 0.00 175.10 175.94 1xfl s LEU 61 N 0.20 4.26 -0.07 3.92 1.43 -1.25 -4.90 118.68 122.27 1xfl s LEU 61 Ca 0.39 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 54.33 1xfl s LEU 61 Cb -0.20 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1xfl s LEU 61 CO 0.22 -0.01 -0.21 -0.36 0.23 0.00 0.00 176.35 176.21 1xfl s PHE 62 N 0.71 2.55 0.03 0.29 0.40 -1.26 -1.12 117.98 119.59 1xfl s PHE 62 Ca 0.26 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1xfl s PHE 62 Cb -0.15 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 1xfl s PHE 62 CO 0.10 -0.16 -0.15 -0.51 0.70 0.00 0.00 175.22 175.20 1xfl s LEU 63 N -0.14 2.15 -0.31 -0.37 1.02 -0.56 -1.38 118.68 119.09 1xfl s LEU 63 Ca -0.03 -0.43 -0.09 0.00 0.02 0.00 0.00 54.13 53.60 1xfl s LEU 63 Cb -0.14 -0.66 -0.00 0.00 0.02 0.00 0.00 46.19 45.41 1xfl s LEU 63 CO 0.04 0.07 0.12 -0.54 0.02 0.00 0.00 176.35 176.06 1xfl s LYS 64 N -1.01 3.24 -0.30 1.70 -0.14 0.90 0.05 119.74 124.17 1xfl s LYS 64 Ca 0.03 -0.78 -0.09 0.00 -1.36 0.00 0.00 55.97 53.77 1xfl s LYS 64 Cb -0.08 -3.49 -0.01 0.00 -1.68 0.00 0.00 37.83 32.57 1xfl s LYS 64 CO 0.01 -0.43 0.13 0.08 -0.76 0.00 0.00 175.35 174.38 1xfl s VAL 65 N 1.57 4.47 -0.41 3.17 1.01 0.85 -0.67 120.40 130.39 1xfl s VAL 65 Ca 0.04 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1xfl s VAL 65 Cb -0.17 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1xfl s VAL 65 CO 0.05 0.12 0.94 -0.62 0.00 0.00 0.00 175.10 175.59 1xfl s ASP 66 N 1.60 6.61 0.02 3.32 2.15 -1.24 -0.61 116.67 128.53 1xfl s ASP 66 Ca 0.05 0.42 0.16 0.00 0.43 0.00 0.00 52.55 53.60 1xfl s ASP 66 Cb -0.17 -2.47 0.69 0.00 -0.30 0.00 0.00 42.92 40.67 1xfl s ASP 66 CO 0.05 -0.95 1.51 1.07 -0.17 0.00 0.00 175.17 176.68 1xfl n THR 67 N 6.19 0.92 0.13 1.71 5.66 0.35 -0.02 114.28 129.23 1xfl n THR 67 Ca 0.07 0.23 -0.24 0.00 -3.05 0.00 0.00 64.05 61.06 1xfl n THR 67 Cb 0.48 -0.97 -0.16 0.00 -1.55 0.00 0.00 70.33 68.13 1xfl n THR 67 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1xfl h ASP 68 N 0.00 0.80 0.17 1.09 1.82 -1.90 -2.98 116.42 115.42 1xfl h ASP 68 Ca 0.00 -0.93 -0.01 0.00 -0.39 0.00 0.00 57.03 55.71 1xfl h ASP 68 Cb 0.28 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1xfl h ASP 68 CO 0.00 1.68 -0.08 -0.33 -1.61 0.00 0.00 179.24 178.90 1xfl h GLU 69 N 0.08 -0.22 -3.05 0.28 4.39 -1.78 -3.38 114.58 110.90 1xfl h GLU 69 Ca -0.25 0.02 -0.80 0.00 0.34 0.00 0.00 59.36 58.67 1xfl h GLU 69 Cb 2.11 0.05 -0.26 0.00 -0.10 0.00 0.00 28.75 30.55 1xfl h GLU 69 CO 0.26 -0.15 1.02 1.28 -1.16 0.00 0.00 179.01 180.26 1xfl n LEU 70 N -3.22 6.46 0.15 1.33 4.77 0.97 -4.73 117.00 122.73 1xfl n LEU 70 Ca -0.03 -5.10 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 1xfl n LEU 70 Cb 0.09 -1.32 0.27 0.00 -2.33 0.00 0.00 43.42 40.14 1xfl n LEU 70 CO 0.07 1.63 0.64 0.07 -1.33 0.00 0.00 177.39 178.47 1xfl h LYS 71 N 5.52 0.06 -0.23 3.23 2.10 -1.72 -3.10 116.57 122.43 1xfl h LYS 71 Ca 0.24 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.78 1xfl h LYS 71 Cb 0.62 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 1xfl h LYS 71 CO 1.39 0.50 -0.19 0.77 -2.00 0.00 0.00 179.45 179.92 1xfl h SER 72 N 0.05 0.40 -0.35 7.07 0.02 -1.87 -0.62 113.55 118.26 1xfl h SER 72 Ca 0.00 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 1xfl h SER 72 Cb 0.81 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1xfl h SER 72 CO 0.06 0.61 -0.33 0.58 -1.14 0.00 0.00 176.83 176.60 1xfl h VAL 73 N 0.37 1.28 -0.73 2.27 2.07 -1.94 -0.98 116.25 118.60 1xfl h VAL 73 Ca 0.06 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1xfl h VAL 73 Cb 0.55 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1xfl h VAL 73 CO 0.04 0.49 0.41 0.00 0.02 0.00 0.00 177.57 178.53 1xfl h ALA 74 N 0.75 0.93 -0.27 1.67 0.00 -1.38 -1.12 119.26 119.83 1xfl h ALA 74 Ca 0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1xfl h ALA 74 Cb 0.92 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xfl h ALA 74 CO 0.08 0.43 -0.22 0.77 0.00 0.00 0.00 179.25 180.32 1xfl h SER 75 N 1.00 0.51 -0.14 0.00 0.02 -1.00 0.48 113.55 114.42 1xfl h SER 75 Ca 0.26 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 1xfl h SER 75 Cb 0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1xfl h SER 75 CO -0.04 0.73 -0.44 -0.78 -1.14 0.00 0.00 176.83 175.16 1xfl h ASP 76 N 0.46 0.74 -0.06 3.07 3.58 -0.40 -2.60 116.42 121.19 1xfl h ASP 76 Ca 0.07 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1xfl h ASP 76 Cb 0.63 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1xfl h ASP 76 CO 0.05 1.07 0.00 0.79 -2.88 0.00 0.00 179.24 178.27 1xfl n TRP 77 N -4.02 0.07 -3.27 0.28 7.02 -0.50 -4.97 117.44 112.05 1xfl n TRP 77 Ca -0.02 -0.03 -0.08 0.00 -1.02 0.00 0.00 57.50 56.34 1xfl n TRP 77 Cb 0.55 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.45 1xfl n TRP 77 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xfl n ALA 78 N 0.38 -2.57 -3.83 6.99 0.00 -0.34 -4.99 120.51 116.15 1xfl n ALA 78 Ca 0.18 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.21 1xfl n ALA 78 Cb 0.38 -1.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 1xfl n ALA 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xfl s ILE 79 N -3.04 2.83 -0.11 0.00 1.01 0.16 -4.89 121.20 117.16 1xfl s ILE 79 Ca 0.05 -1.88 0.07 0.00 0.00 0.00 0.00 60.65 58.89 1xfl s ILE 79 Cb -0.01 -2.85 -0.11 0.00 0.01 0.00 0.00 42.46 39.49 1xfl s ILE 79 CO 0.79 -0.42 -0.01 1.67 0.00 0.00 0.00 174.94 176.97 1xfl n GLN 80 N 4.50 1.75 -3.46 2.79 -0.06 -1.26 -4.63 117.38 117.01 1xfl n GLN 80 Ca -0.05 0.02 -0.38 0.00 -2.00 0.00 0.00 57.00 54.58 1xfl n GLN 80 Cb 0.42 -1.26 -0.09 0.00 -4.06 0.00 0.00 30.24 25.25 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xfl s ALA 81 N -2.25 3.57 -0.04 1.69 0.00 -1.26 -5.07 121.76 118.40 1xfl s ALA 81 Ca -0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1xfl s ALA 81 Cb 0.03 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1xfl s ALA 81 CO 0.38 -0.48 0.09 -1.64 0.00 0.00 0.00 175.76 174.11 1xfl s MET 82 N 1.68 3.16 0.23 0.00 -1.94 -1.26 -3.98 119.30 117.19 1xfl s MET 82 Ca 0.14 -0.39 -0.01 0.00 -1.71 0.00 0.00 55.69 53.72 1xfl s MET 82 Cb -0.15 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 1xfl s MET 82 CO 0.09 0.68 0.43 -1.25 -0.01 0.00 0.00 175.02 174.96 1xfl s PRO 83 N -1.49 3.53 -0.18 2.03 0.04 -1.26 -4.47 135.00 133.19 1xfl s PRO 83 Ca 0.20 -0.31 -0.04 0.00 0.04 0.00 0.00 61.00 60.89 1xfl s PRO 83 Cb -0.12 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 1xfl s PRO 83 CO 0.11 0.35 -0.03 0.99 0.04 0.00 0.00 177.00 178.45 1xfl s THR 84 N -1.95 3.72 -0.25 1.26 2.01 -0.63 -0.04 115.64 119.75 1xfl s THR 84 Ca 0.39 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1xfl s THR 84 Cb -0.11 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1xfl s THR 84 CO 0.30 0.45 0.09 -0.36 -0.69 0.00 0.00 174.62 174.42 1xfl s PHE 85 N 0.86 3.12 -0.15 4.92 0.40 0.12 -0.11 117.98 127.15 1xfl s PHE 85 Ca -0.01 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1xfl s PHE 85 Cb -0.14 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 1xfl s PHE 85 CO 0.02 -0.29 -0.09 1.41 0.70 0.00 0.00 175.22 176.96 1xfl s MET 86 N 1.57 3.46 -0.23 0.44 1.75 0.14 0.22 119.30 126.66 1xfl s MET 86 Ca 0.06 -0.63 -0.00 0.00 -1.25 0.00 0.00 55.69 53.87 1xfl s MET 86 Cb -0.15 -2.75 0.03 0.00 2.84 0.00 0.00 34.83 34.79 1xfl s MET 86 CO 0.05 0.17 -0.10 -0.06 -0.65 0.00 0.00 175.02 174.43 1xfl s PHE 87 N 0.48 3.02 0.32 4.11 0.40 0.65 -1.28 117.98 125.68 1xfl s PHE 87 Ca -0.07 -1.66 0.08 0.00 -0.60 0.00 0.00 56.93 54.68 1xfl s PHE 87 Cb -0.15 -2.01 -0.06 0.00 0.51 0.00 0.00 43.02 41.31 1xfl s PHE 87 CO 0.04 -0.76 -0.07 -0.48 0.70 0.00 0.00 175.22 174.65 1xfl s LEU 88 N 1.29 2.62 -0.13 -0.37 0.05 -1.22 -1.33 118.68 119.59 1xfl s LEU 88 Ca 0.00 -1.21 -0.01 0.00 0.05 0.00 0.00 54.13 52.96 1xfl s LEU 88 Cb -0.16 -0.82 0.04 0.00 -2.05 0.00 0.00 46.19 43.20 1xfl s LEU 88 CO -0.07 -0.29 -0.01 -0.75 -0.55 0.00 0.00 176.35 174.68 1xfl s LYS 89 N -3.68 0.91 -1.44 1.48 2.20 0.17 -3.93 119.74 115.47 1xfl s LYS 89 Ca 0.32 -0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.63 1xfl s LYS 89 Cb 0.04 -1.58 0.05 0.00 -1.51 0.00 0.00 37.83 34.83 1xfl s LYS 89 CO 0.15 -0.42 0.89 0.39 -0.36 0.00 0.00 175.35 176.00 1xfl n GLU 90 N 5.04 -5.47 0.00 4.03 1.02 -1.26 -1.61 120.64 122.39 1xfl n GLU 90 Ca -0.09 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1xfl n GLU 90 Cb 0.49 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 1xfl n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfl n GLY 91 N -1.67 2.48 3.72 0.62 0.00 -1.26 -5.01 105.19 104.07 1xfl n GLY 91 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1xfl n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfl s LYS 92 N -0.42 4.26 0.01 1.61 3.01 -0.63 -5.04 119.74 122.54 1xfl s LYS 92 Ca 0.00 0.10 -0.30 0.00 -1.01 0.00 0.00 55.97 54.76 1xfl s LYS 92 Cb 0.00 -3.43 -0.04 0.00 -1.01 0.00 0.00 37.83 33.34 1xfl s LYS 92 CO 0.00 0.22 1.18 0.42 0.51 0.00 0.00 175.35 177.68 1xfl s ILE 93 N 0.52 4.21 -0.18 2.17 -1.09 -1.26 0.46 121.20 126.03 1xfl s ILE 93 Ca 0.17 1.57 -0.17 0.00 -2.23 0.00 0.00 60.65 59.99 1xfl s ILE 93 Cb -0.13 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.68 1xfl s ILE 93 CO 0.04 0.07 -0.33 0.18 -1.23 0.00 0.00 174.94 173.68 1xfl n LEU 94 N 4.42 1.93 -3.45 2.97 4.77 -0.44 -4.88 117.00 122.32 1xfl n LEU 94 Ca 0.09 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1xfl n LEU 94 Cb 0.47 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1xfl n LEU 94 CO 0.55 -0.23 0.40 1.51 -1.33 0.00 0.00 177.39 178.29 1xfl s ASP 95 N -6.01 -0.57 0.04 -1.43 1.47 -0.54 -5.04 116.67 104.58 1xfl s ASP 95 Ca -0.28 0.13 0.02 0.00 1.18 0.00 0.00 52.55 53.59 1xfl s ASP 95 Cb 0.05 0.58 -0.02 0.00 -0.34 0.00 0.00 42.92 43.18 1xfl s ASP 95 CO 0.41 -0.89 -0.07 -1.59 0.68 0.00 0.00 175.17 173.71 1xfl s LYS 96 N -3.25 0.49 -0.20 2.11 -2.85 -1.26 -0.25 119.74 114.52 1xfl s LYS 96 Ca -0.01 -0.74 -0.02 0.00 -1.00 0.00 0.00 55.97 54.20 1xfl s LYS 96 Cb -0.01 -0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.56 1xfl s LYS 96 CO -0.08 0.03 -0.11 0.08 0.10 0.00 0.00 175.35 175.37 1xfl s VAL 97 N -1.44 2.85 -0.25 1.79 1.01 0.13 -4.95 120.40 119.54 1xfl s VAL 97 Ca -0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1xfl s VAL 97 Cb -0.10 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1xfl s VAL 97 CO -0.00 0.47 0.04 -0.69 0.00 0.00 0.00 175.10 174.91 1xfl s VAL 98 N 1.40 3.89 0.00 2.92 1.01 -1.26 0.15 120.40 128.52 1xfl s VAL 98 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1xfl s VAL 98 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1xfl s VAL 98 CO -0.07 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1xfl n GLY 99 N 4.86 2.18 3.56 4.51 0.00 0.94 -4.93 105.19 116.32 1xfl n GLY 99 Ca -0.16 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 1xfl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfl s ALA 100 N -0.62 3.13 -0.17 4.61 0.00 -1.26 -4.82 121.76 122.62 1xfl s ALA 100 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1xfl s ALA 100 Cb 0.00 -3.83 0.04 0.00 0.00 0.00 0.00 23.12 19.33 1xfl s ALA 100 CO 0.00 -2.37 -0.09 0.15 0.00 0.00 0.00 175.76 173.45 1xfl s LYS 101 N 4.28 1.83 0.18 0.00 1.02 -1.26 -5.01 119.74 120.77 1xfl s LYS 101 Ca 0.38 -0.63 -0.09 0.00 0.02 0.00 0.00 55.97 55.65 1xfl s LYS 101 Cb -0.10 -2.15 0.06 0.00 -0.52 0.00 0.00 37.83 35.12 1xfl s LYS 101 CO 0.25 -0.38 1.62 -0.22 -0.92 0.00 0.00 175.35 175.70 1xfl h LYS 102 N 8.05 1.07 -0.53 1.68 3.64 -1.99 -1.11 116.57 127.39 1xfl h LYS 102 Ca -0.29 -0.36 -0.08 0.00 -1.27 0.00 0.00 60.65 58.65 1xfl h LYS 102 Cb 1.11 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1xfl h LYS 102 CO 0.45 1.07 0.03 0.22 -2.27 0.00 0.00 179.45 178.95 1xfl h ASP 103 N 0.96 0.89 -0.52 4.20 3.58 -1.99 -0.48 116.42 123.06 1xfl h ASP 103 Ca 0.16 -0.29 -0.12 0.00 0.42 0.00 0.00 57.03 57.20 1xfl h ASP 103 Cb 0.61 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 1xfl h ASP 103 CO 0.04 0.96 -0.13 -0.08 -2.88 0.00 0.00 179.24 177.15 1xfl h GLU 104 N 0.79 1.00 -0.65 0.28 4.57 -1.96 -1.94 114.58 116.68 1xfl h GLU 104 Ca 0.15 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1xfl h GLU 104 Cb 0.49 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1xfl h GLU 104 CO 0.02 1.07 0.42 1.25 -1.18 0.00 0.00 179.01 180.59 1xfl h LEU 105 N 0.87 0.75 -1.08 1.64 5.85 -0.96 -0.89 115.31 121.49 1xfl h LEU 105 Ca 0.13 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1xfl h LEU 105 Cb 0.70 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 1xfl h LEU 105 CO 0.05 0.55 0.62 1.56 -0.34 0.00 0.00 178.44 180.88 1xfl h GLN 106 N 0.88 1.01 -0.27 1.25 1.08 -0.50 0.38 115.11 118.94 1xfl h GLN 106 Ca 0.24 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 1xfl h GLN 106 Cb -0.09 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.10 1xfl h GLN 106 CO -0.05 0.67 -0.35 0.77 -0.95 0.00 0.00 178.83 178.92 1xfl h SER 107 N 1.04 0.61 -0.08 1.46 0.02 -0.52 -0.98 113.55 115.11 1xfl h SER 107 Ca 0.43 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1xfl h SER 107 Cb 0.30 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1xfl h SER 107 CO -0.19 0.91 -0.52 0.74 -1.14 0.00 0.00 176.83 176.64 1xfl h THR 108 N 0.50 1.30 -0.53 -2.27 2.02 0.07 -2.27 112.91 111.72 1xfl h THR 108 Ca 0.05 -1.73 -0.04 0.00 0.77 0.00 0.00 66.41 65.46 1xfl h THR 108 Cb 0.83 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1xfl h THR 108 CO 0.07 0.55 0.18 0.40 0.37 0.00 0.00 175.52 177.09 1xfl h ILE 109 N 0.51 1.23 -0.05 3.11 2.04 0.12 -1.58 117.51 122.89 1xfl h ILE 109 Ca 0.02 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1xfl h ILE 109 Cb 1.07 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1xfl h ILE 109 CO 0.10 0.28 -0.30 0.00 0.00 0.00 0.00 178.15 178.23 1xfl h ALA 110 N 1.04 1.41 -0.41 1.87 0.00 -1.12 0.32 119.26 122.37 1xfl h ALA 110 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xfl h ALA 110 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xfl h ALA 110 CO -0.01 0.43 0.09 -0.22 0.00 0.00 0.00 179.25 179.55 1xfl h LYS 111 N 0.08 0.65 -0.01 0.00 3.64 -0.93 -3.01 116.57 116.99 1xfl h LYS 111 Ca 0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1xfl h LYS 111 Cb 0.58 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1xfl h LYS 111 CO 0.04 0.68 -0.11 0.72 -2.27 0.00 0.00 179.45 178.51 1xfl n HIS 112 N -4.55 0.00 -1.68 1.91 8.25 -0.64 -4.91 115.22 113.60 1xfl n HIS 112 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1xfl n HIS 112 Cb 0.21 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1xfl n HIS 112 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1xfl s LEU 113 N -2.20 3.99 0.00 2.41 1.98 0.11 -5.06 118.68 119.92 1xfl s LEU 113 Ca 0.32 2.28 0.00 0.00 -2.89 0.00 0.00 54.13 53.84 1xfl s LEU 113 Cb 0.20 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.53 1xfl s LEU 113 CO 0.41 -1.44 0.00 0.00 -1.89 0.00 0.00 176.35 173.43