#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 3.66 0.07 3.04 0.00 -1.26 -4.96 121.76 122.31 1xfl s ALA 2 Ca 0.00 -2.82 -0.18 0.00 0.00 0.00 0.00 51.96 48.96 1xfl s ALA 2 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1xfl s ALA 2 CO 0.00 -2.51 0.42 -1.12 0.00 0.00 0.00 175.76 172.56 1xfl s SER 3 N 3.08 -0.29 -0.31 0.00 0.01 -1.26 -5.12 113.70 109.81 1xfl s SER 3 Ca 0.20 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 57.11 1xfl s SER 3 Cb -0.13 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.56 1xfl s SER 3 CO -0.04 -0.73 1.03 -0.70 0.41 0.00 0.00 173.24 173.21 1xfl s GLU 4 N -2.85 4.07 0.01 12.44 2.12 -1.26 -5.00 118.70 128.23 1xfl s GLU 4 Ca -0.03 1.04 -0.00 0.00 0.36 0.00 0.00 54.97 56.34 1xfl s GLU 4 Cb -0.00 -3.73 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1xfl s GLU 4 CO -0.05 -0.84 -0.01 -1.21 -0.54 0.00 0.00 175.26 172.61 1xfl s GLU 5 N 3.51 0.10 0.00 4.30 2.02 -1.26 -4.84 118.70 122.53 1xfl s GLU 5 Ca 0.43 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1xfl s GLU 5 Cb -0.13 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1xfl s GLU 5 CO 0.14 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1xfl n GLY 6 N 2.63 0.77 3.89 -1.39 0.00 -1.07 -4.83 105.19 105.19 1xfl n GLY 6 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1xfl n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xfl s GLN 7 N -0.70 3.18 -0.09 1.61 1.11 -1.26 -4.26 119.66 119.25 1xfl s GLN 7 Ca 0.00 -0.87 0.03 0.00 0.01 0.00 0.00 55.36 54.53 1xfl s GLN 7 Cb 0.00 -2.74 -0.01 0.00 -1.01 0.00 0.00 33.01 29.24 1xfl s GLN 7 CO 0.00 0.44 -0.18 0.08 0.01 0.00 0.00 175.29 175.63 1xfl s VAL 8 N -1.99 2.64 -0.33 1.09 1.01 -1.26 -4.66 120.40 116.92 1xfl s VAL 8 Ca 0.33 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 1xfl s VAL 8 Cb -0.09 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1xfl s VAL 8 CO 0.27 0.56 0.84 -0.63 0.00 0.00 0.00 175.10 176.13 1xfl s ILE 9 N -0.02 4.73 -0.34 2.22 1.09 -0.06 -4.83 121.20 123.97 1xfl s ILE 9 Ca -0.05 1.19 -0.08 0.00 -1.10 0.00 0.00 60.65 60.61 1xfl s ILE 9 Cb -0.14 -4.21 0.03 0.00 -1.06 0.00 0.00 42.46 37.08 1xfl s ILE 9 CO 0.05 -0.34 0.13 0.00 -0.10 0.00 0.00 174.94 174.68 1xfl s ALA 10 N 3.12 3.12 0.06 9.38 0.00 -1.26 -0.51 121.76 135.67 1xfl s ALA 10 Ca 0.34 -1.70 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1xfl s ALA 10 Cb -0.13 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 1xfl s ALA 10 CO 0.14 -1.30 0.43 0.00 0.00 0.00 0.00 175.76 175.03 1xfl n HIS 12 N 1.28 0.00 -4.32 0.00 8.25 -1.26 -4.43 115.22 114.74 1xfl n HIS 12 Ca -0.10 -0.47 -0.18 0.00 -0.26 0.00 0.00 57.72 56.70 1xfl n HIS 12 Cb 0.52 -0.05 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.95 0.85 0.28 1.59 -4.23 -1.26 -4.82 115.64 107.10 1xfl s THR 13 Ca 0.00 -0.74 0.23 0.00 -1.18 0.00 0.00 61.69 59.99 1xfl s THR 13 Cb 0.00 -0.77 0.22 0.00 1.34 0.00 0.00 72.50 73.29 1xfl s THR 13 CO 0.00 0.03 1.90 1.62 -0.54 0.00 0.00 174.62 177.63 1xfl h VAL 14 N 4.68 0.71 0.15 2.29 3.04 -1.97 -1.92 116.25 123.23 1xfl h VAL 14 Ca -0.34 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.34 1xfl h VAL 14 Cb 1.18 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 1xfl h VAL 14 CO 0.46 0.23 -0.07 -0.08 -1.01 0.00 0.00 177.57 177.10 1xfl h GLU 15 N 0.00 -0.19 -0.24 4.17 4.81 -1.99 0.24 114.58 121.38 1xfl h GLU 15 Ca -0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1xfl h GLU 15 Cb 0.61 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1xfl h GLU 15 CO 0.03 0.01 -0.29 1.15 -0.73 0.00 0.00 179.01 179.18 1xfl h THR 16 N -0.37 1.28 -0.30 0.32 2.02 -1.95 -0.94 112.91 112.96 1xfl h THR 16 Ca -0.02 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.83 1xfl h THR 16 Cb 0.29 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1xfl h THR 16 CO 0.03 0.43 0.17 -0.25 0.37 0.00 0.00 175.52 176.27 1xfl h TRP 17 N 0.42 0.32 -0.88 3.16 2.91 -1.13 0.07 115.95 120.83 1xfl h TRP 17 Ca 0.06 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.11 1xfl h TRP 17 Cb 0.73 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.23 1xfl h TRP 17 CO 0.02 0.18 0.57 -0.97 -1.03 0.00 0.00 178.44 177.22 1xfl h ASN 18 N 0.35 0.97 -0.45 2.65 -1.24 -0.14 -1.10 115.58 116.61 1xfl h ASN 18 Ca 0.12 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.15 1xfl h ASN 18 Cb 0.01 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 1xfl h ASN 18 CO -0.06 0.68 0.25 -0.08 -1.29 0.00 0.00 177.43 176.92 1xfl h GLU 19 N 1.13 0.48 -0.35 6.67 4.57 -0.62 0.51 114.58 126.98 1xfl h GLU 19 Ca 0.34 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.47 1xfl h GLU 19 Cb -0.04 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1xfl h GLU 19 CO -0.10 0.32 0.12 1.96 -1.18 0.00 0.00 179.01 180.12 1xfl h GLN 20 N 0.49 0.54 -0.58 1.92 1.08 -0.32 0.16 115.11 118.40 1xfl h GLN 20 Ca 0.19 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 1xfl h GLN 20 Cb 0.06 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1xfl h GLN 20 CO -0.11 0.55 0.13 -0.07 -0.95 0.00 0.00 178.83 178.37 1xfl h LEU 21 N 0.41 0.89 -0.98 1.46 3.38 -0.97 0.22 115.31 119.73 1xfl h LEU 21 Ca 0.11 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xfl h LEU 21 Cb 0.23 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1xfl h LEU 21 CO -0.01 0.90 0.57 -0.61 0.09 0.00 0.00 178.44 179.39 1xfl h GLN 22 N 0.84 1.28 -0.29 1.13 5.75 -0.73 0.05 115.11 123.14 1xfl h GLN 22 Ca 0.18 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1xfl h GLN 22 Cb 0.37 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1xfl h GLN 22 CO 0.01 0.89 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.78 1xfl h LYS 23 N 1.30 0.56 -0.57 1.69 3.64 -0.32 0.16 116.57 123.03 1xfl h LYS 23 Ca 0.34 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1xfl h LYS 23 Cb -0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1xfl h LYS 23 CO -0.06 0.77 0.13 0.00 -2.27 0.00 0.00 179.45 178.02 1xfl h ALA 24 N 0.78 1.16 0.21 5.00 0.00 -0.24 0.17 119.26 126.34 1xfl h ALA 24 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xfl h ALA 24 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xfl h ALA 24 CO 0.03 0.57 -0.10 -0.97 0.00 0.00 0.00 179.25 178.78 1xfl h ASN 25 N 0.85 -0.24 -0.20 0.00 -1.24 -0.88 -1.08 115.58 112.80 1xfl h ASN 25 Ca 0.18 -0.27 -0.10 0.00 0.71 0.00 0.00 56.30 56.83 1xfl h ASN 25 Cb 0.32 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 1xfl h ASN 25 CO -0.00 0.18 -0.27 -0.08 -1.29 0.00 0.00 177.43 175.97 1xfl h GLU 26 N -0.73 0.53 -0.15 6.67 4.81 -0.87 -3.17 114.58 121.68 1xfl h GLU 26 Ca -0.03 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1xfl h GLU 26 Cb 0.50 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1xfl h GLU 26 CO 0.05 0.91 0.00 0.43 -0.73 0.00 0.00 179.01 179.67 1xfl n SER 27 N -4.37 2.17 -3.73 1.04 7.64 0.59 -4.92 113.62 112.03 1xfl n SER 27 Ca -0.06 -1.75 -0.26 0.00 1.01 0.00 0.00 58.87 57.81 1xfl n SER 27 Cb 0.46 -0.09 0.06 0.00 -1.01 0.00 0.00 64.21 63.62 1xfl n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xfl n LYS 28 N 0.66 -6.76 -2.90 1.43 5.02 -0.62 -4.94 118.16 110.06 1xfl n LYS 28 Ca 0.17 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.82 1xfl n LYS 28 Cb 0.43 -5.69 -0.06 0.00 -0.02 0.00 0.00 35.03 29.69 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 -3.33 4.33 -0.35 -0.18 2.01 -0.51 -4.07 115.64 113.55 1xfl s THR 29 Ca 0.56 1.65 -0.20 0.00 0.31 0.00 0.00 61.69 64.01 1xfl s THR 29 Cb -0.26 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 1xfl s THR 29 CO 0.78 0.21 0.60 -0.22 -0.69 0.00 0.00 174.62 175.29 1xfl s LEU 30 N -1.92 4.28 -0.01 4.42 0.20 -1.26 -2.18 118.68 122.21 1xfl s LEU 30 Ca 0.46 0.11 0.05 0.00 0.69 0.00 0.00 54.13 55.45 1xfl s LEU 30 Cb -0.19 -2.72 -0.01 0.00 -0.43 0.00 0.00 46.19 42.84 1xfl s LEU 30 CO 0.23 -0.55 -0.17 0.54 -0.29 0.00 0.00 176.35 176.12 1xfl s VAL 31 N 2.60 1.34 -0.17 1.68 0.11 -1.22 -2.03 120.40 122.70 1xfl s VAL 31 Ca 0.23 -0.75 -0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1xfl s VAL 31 Cb -0.15 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1xfl s VAL 31 CO 0.14 0.36 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.44 1xfl s VAL 32 N -0.43 2.70 -0.14 2.04 1.01 0.33 -1.38 120.40 124.54 1xfl s VAL 32 Ca 0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1xfl s VAL 32 Cb -0.07 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1xfl s VAL 32 CO -0.00 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 1xfl s VAL 33 N 1.03 3.33 -0.24 2.92 1.01 0.79 -1.11 120.40 128.13 1xfl s VAL 33 Ca -0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1xfl s VAL 33 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1xfl s VAL 33 CO -0.03 0.51 0.10 -0.62 0.00 0.00 0.00 175.10 175.06 1xfl s ASP 34 N 0.34 5.45 -0.28 3.32 -1.08 0.51 -0.13 116.67 124.79 1xfl s ASP 34 Ca -0.09 -0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 51.80 1xfl s ASP 34 Cb -0.15 -1.98 0.02 0.00 -1.46 0.00 0.00 42.92 39.35 1xfl s ASP 34 CO 0.05 0.01 0.03 -0.36 0.52 0.00 0.00 175.17 175.42 1xfl s PHE 35 N 1.37 3.14 0.37 -5.34 0.08 0.61 -0.06 117.98 118.15 1xfl s PHE 35 Ca 0.06 -1.23 -0.14 0.00 0.12 0.00 0.00 56.93 55.73 1xfl s PHE 35 Cb -0.15 -2.19 0.04 0.00 -0.57 0.00 0.00 43.02 40.16 1xfl s PHE 35 CO 0.05 -0.64 0.74 -0.08 -0.10 0.00 0.00 175.22 175.18 1xfl s THR 36 N 1.43 0.00 -0.00 0.64 -1.32 -0.90 -0.82 115.64 114.66 1xfl s THR 36 Ca 0.01 -1.09 0.02 0.00 -1.21 0.00 0.00 61.69 59.42 1xfl s THR 36 Cb -0.17 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.06 1xfl s THR 36 CO 0.00 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.35 1xfl s ALA 37 N -2.59 0.49 0.23 11.08 0.00 -1.26 -0.08 121.76 129.62 1xfl s ALA 37 Ca 0.17 -0.29 0.35 0.00 0.00 0.00 0.00 51.96 52.19 1xfl s ALA 37 Cb -0.05 -0.11 1.78 0.00 0.00 0.00 0.00 23.12 24.74 1xfl s ALA 37 CO 0.12 0.11 2.05 1.03 0.00 0.00 0.00 175.76 179.07 1xfl h SER 38 N 5.90 0.00 0.76 0.00 0.87 -1.98 -2.28 113.55 116.82 1xfl h SER 38 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1xfl h SER 38 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1xfl h SER 38 CO 0.49 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.12 1xfl n TRP 39 N -2.78 0.00 -3.47 2.24 4.27 -1.26 -4.74 117.44 111.70 1xfl n TRP 39 Ca -0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.22 1xfl n TRP 39 Cb 0.12 -0.39 -0.08 0.00 -1.36 0.00 0.00 31.31 29.60 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 7.44 -0.65 1.63 0.00 0.00 -1.88 0.65 103.07 110.27 1xfl h GLY 41 Ca -0.37 0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.23 1xfl h GLY 41 CO 0.71 -0.23 0.17 -2.55 0.00 0.00 0.00 176.54 174.63 1xfl h PRO 42 N -0.64 0.16 -0.22 4.80 0.11 -1.98 0.16 132.00 134.38 1xfl h PRO 42 Ca -0.06 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.88 1xfl h PRO 42 Cb 0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1xfl h PRO 42 CO 0.10 0.10 -0.50 0.00 -0.21 0.00 0.00 178.00 177.49 1xfl h ARG 44 N 0.48 0.29 -0.37 0.00 1.12 0.56 -3.15 114.38 113.31 1xfl h ARG 44 Ca 0.02 -0.33 0.01 0.00 -1.11 0.00 0.00 59.98 58.57 1xfl h ARG 44 Cb 1.05 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.09 1xfl h ARG 44 CO 0.10 1.05 0.25 0.35 -3.11 0.00 0.00 179.97 178.61 1xfl h PHE 45 N 0.15 0.44 0.00 2.20 3.57 -0.50 -2.34 116.94 120.47 1xfl h PHE 45 Ca -0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1xfl h PHE 45 Cb 1.60 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1xfl h PHE 45 CO 0.05 0.27 -0.67 0.97 -2.23 0.00 0.00 178.31 176.70 1xfl h ILE 46 N 0.47 0.00 -0.41 1.41 6.09 -1.37 -3.38 117.51 120.32 1xfl h ILE 46 Ca 0.14 -0.71 0.02 0.00 -1.37 0.00 0.00 64.86 62.94 1xfl h ILE 46 Cb 0.00 1.32 -0.03 0.00 0.47 0.00 0.00 36.82 38.59 1xfl h ILE 46 CO -0.03 0.00 0.23 0.00 -3.07 0.00 0.00 178.15 175.28 1xfl h ALA 47 N 2.29 0.52 -0.13 0.18 0.00 -1.38 -2.64 119.26 118.10 1xfl h ALA 47 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xfl h ALA 47 Cb 0.86 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xfl h ALA 47 CO 0.00 -0.11 0.12 -1.35 0.00 0.00 0.00 179.25 177.90 1xfl h PRO 48 N 0.46 0.00 -0.00 0.00 0.11 -1.74 -0.80 132.00 130.03 1xfl h PRO 48 Ca 0.17 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 1xfl h PRO 48 Cb 0.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1xfl h PRO 48 CO -0.09 0.00 -0.83 0.35 -0.21 0.00 0.00 178.00 177.22 1xfl h PHE 49 N 0.00 0.16 -0.11 0.65 3.57 -1.73 -2.46 116.94 117.02 1xfl h PHE 49 Ca 0.06 -0.09 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 1xfl h PHE 49 Cb 0.29 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1xfl h PHE 49 CO 0.00 0.88 -0.51 0.35 -2.23 0.00 0.00 178.31 176.80 1xfl h PHE 50 N 0.06 0.35 -0.12 0.41 3.57 -1.06 -0.06 116.94 120.09 1xfl h PHE 50 Ca -0.03 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.24 1xfl h PHE 50 Cb 1.44 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 1xfl h PHE 50 CO 0.02 0.74 -0.42 0.00 -2.23 0.00 0.00 178.31 176.41 1xfl h ALA 51 N 1.24 1.06 -0.30 2.41 0.00 -1.36 -2.26 119.26 120.05 1xfl h ALA 51 Ca 0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1xfl h ALA 51 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xfl h ALA 51 CO 0.08 0.61 -0.07 0.22 0.00 0.00 0.00 179.25 180.08 1xfl h ASP 52 N 0.23 0.58 -0.88 0.00 3.58 -0.92 -2.74 116.42 116.27 1xfl h ASP 52 Ca 0.02 -0.37 0.13 0.00 0.42 0.00 0.00 57.03 57.23 1xfl h ASP 52 Cb 0.85 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 41.65 1xfl h ASP 52 CO 0.07 0.81 0.50 -0.07 -2.88 0.00 0.00 179.24 177.67 1xfl h LEU 53 N 0.34 0.67 -1.52 2.28 3.38 -0.86 -0.12 115.31 119.49 1xfl h LEU 53 Ca 0.07 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xfl h LEU 53 Cb 0.56 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1xfl h LEU 53 CO 0.03 0.33 -0.04 0.00 0.09 0.00 0.00 178.44 178.85 1xfl h ALA 54 N 1.53 1.62 0.00 1.53 0.00 -1.12 0.14 119.26 122.95 1xfl h ALA 54 Ca 0.46 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1xfl h ALA 54 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1xfl h ALA 54 CO -0.31 0.28 -0.76 -0.22 0.00 0.00 0.00 179.25 178.24 1xfl h LYS 55 N 0.25 0.00 0.00 0.00 3.64 -0.84 -2.83 116.57 116.78 1xfl h LYS 55 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xfl h LYS 55 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xfl h LYS 55 CO 0.01 0.76 -0.91 1.63 -2.27 0.00 0.00 179.45 178.67 1xfl n LYS 56 N -3.33 0.27 -3.77 1.90 5.02 -0.54 -4.41 118.16 113.29 1xfl n LYS 56 Ca 0.01 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 1xfl n LYS 56 Cb 0.83 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 34.12 1xfl n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xfl s LEU 57 N -3.93 3.95 0.40 -0.35 1.43 0.41 -4.97 118.68 115.62 1xfl s LEU 57 Ca 0.05 -3.64 0.12 0.00 -1.03 0.00 0.00 54.13 49.62 1xfl s LEU 57 Cb 0.14 -1.33 0.81 0.00 0.03 0.00 0.00 46.19 45.85 1xfl s LEU 57 CO 0.78 -0.11 1.90 1.55 0.23 0.00 0.00 176.35 180.70 1xfl h PRO 58 N 5.48 0.10 -0.28 1.29 0.13 -1.77 -2.74 132.00 134.21 1xfl h PRO 58 Ca 0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xfl h PRO 58 Cb 0.80 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1xfl h PRO 58 CO 0.63 0.33 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1xfl n ASN 59 N -4.23 1.98 -4.37 1.44 3.02 -1.26 -4.77 115.26 107.07 1xfl n ASN 59 Ca -0.02 -1.85 -0.33 0.00 -0.03 0.00 0.00 54.58 52.35 1xfl n ASN 59 Cb 0.31 -0.18 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xfl s VAL 60 N -1.63 3.00 -0.20 2.41 1.01 -1.03 -4.77 120.40 119.18 1xfl s VAL 60 Ca 0.30 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1xfl s VAL 60 Cb 0.16 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1xfl s VAL 60 CO 0.23 0.53 0.51 -0.76 0.00 0.00 0.00 175.10 175.61 1xfl s LEU 61 N 0.23 4.14 -0.11 3.92 1.02 -0.86 -4.94 118.68 122.09 1xfl s LEU 61 Ca -0.09 0.66 -0.02 0.00 0.02 0.00 0.00 54.13 54.71 1xfl s LEU 61 Cb -0.15 -2.69 -0.03 0.00 0.02 0.00 0.00 46.19 43.33 1xfl s LEU 61 CO 0.05 -0.18 -0.04 -0.36 0.02 0.00 0.00 176.35 175.85 1xfl s PHE 62 N 1.63 3.03 0.02 0.29 0.40 -1.26 -0.51 117.98 121.58 1xfl s PHE 62 Ca 0.24 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 1xfl s PHE 62 Cb -0.15 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 1xfl s PHE 62 CO 0.09 0.22 -0.15 -0.51 0.70 0.00 0.00 175.22 175.58 1xfl s LEU 63 N -0.37 2.10 -0.25 -0.37 1.02 -0.27 -0.88 118.68 119.66 1xfl s LEU 63 Ca 0.06 -0.37 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 1xfl s LEU 63 Cb -0.12 -0.71 0.01 0.00 0.02 0.00 0.00 46.19 45.39 1xfl s LEU 63 CO 0.02 0.12 -0.02 -0.54 0.02 0.00 0.00 176.35 175.95 1xfl s LYS 64 N -0.77 3.05 -0.28 1.70 1.02 0.34 -0.37 119.74 124.44 1xfl s LYS 64 Ca 0.04 -0.85 -0.08 0.00 0.02 0.00 0.00 55.97 55.11 1xfl s LYS 64 Cb -0.07 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 1xfl s LYS 64 CO 0.00 -0.35 0.09 0.08 -0.92 0.00 0.00 175.35 174.26 1xfl s VAL 65 N 1.41 4.26 -0.25 3.17 1.01 0.92 -2.96 120.40 127.96 1xfl s VAL 65 Ca 0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1xfl s VAL 65 Cb -0.16 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1xfl s VAL 65 CO -0.03 0.19 0.88 -0.62 0.00 0.00 0.00 175.10 175.53 1xfl s ASP 66 N 1.58 6.88 0.34 3.32 -1.08 -1.25 -2.12 116.67 124.34 1xfl s ASP 66 Ca 0.05 1.08 0.27 0.00 -0.52 0.00 0.00 52.55 53.43 1xfl s ASP 66 Cb -0.16 -2.46 0.99 0.00 -1.46 0.00 0.00 42.92 39.83 1xfl s ASP 66 CO 0.04 -0.57 1.79 0.00 0.52 0.00 0.00 175.17 176.94 1xfl h THR 67 N 5.46 0.00 0.22 1.71 1.03 -0.75 0.49 112.91 121.07 1xfl h THR 67 Ca -0.22 -0.42 -0.33 0.00 -0.01 0.00 0.00 66.41 65.42 1xfl h THR 67 Cb 1.08 1.30 0.03 0.00 -1.07 0.00 0.00 68.15 69.49 1xfl h THR 67 CO 0.90 0.00 -1.51 -0.78 -0.01 0.00 0.00 175.52 174.12 1xfl h ASP 68 N 0.00 0.72 0.16 0.00 3.58 -1.91 -3.12 116.42 115.84 1xfl h ASP 68 Ca 0.00 -0.83 -0.01 0.00 0.42 0.00 0.00 57.03 56.61 1xfl h ASP 68 Cb 0.53 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1xfl h ASP 68 CO 0.00 1.66 -0.08 -0.33 -2.88 0.00 0.00 179.24 177.62 1xfl h GLU 69 N 0.13 -0.21 -2.43 0.28 5.08 -1.88 -3.35 114.58 112.19 1xfl h GLU 69 Ca -0.26 0.01 -0.74 0.00 -1.00 0.00 0.00 59.36 57.37 1xfl h GLU 69 Cb 2.12 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 31.24 1xfl h GLU 69 CO 0.24 -0.13 1.78 1.28 -1.00 0.00 0.00 179.01 181.19 1xfl n LEU 70 N -4.92 7.70 0.14 1.33 4.77 0.17 -4.61 117.00 121.58 1xfl n LEU 70 Ca -0.03 -4.97 -0.00 0.00 -0.03 0.00 0.00 56.01 50.98 1xfl n LEU 70 Cb 0.09 -1.28 0.26 0.00 -2.33 0.00 0.00 43.42 40.16 1xfl n LEU 70 CO 0.07 2.02 0.63 0.50 -1.33 0.00 0.00 177.39 179.28 1xfl h LYS 71 N 4.28 0.08 -0.74 3.23 3.64 -1.69 -0.82 116.57 124.56 1xfl h LYS 71 Ca 0.62 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.90 1xfl h LYS 71 Cb 0.33 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1xfl h LYS 71 CO 1.34 0.53 0.22 0.66 -2.27 0.00 0.00 179.45 179.92 1xfl h SER 72 N 0.07 1.07 -0.39 4.20 4.64 -1.87 0.17 113.55 121.44 1xfl h SER 72 Ca 0.00 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1xfl h SER 72 Cb 0.84 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1xfl h SER 72 CO 0.06 1.00 0.10 0.58 -0.87 0.00 0.00 176.83 177.70 1xfl h VAL 73 N 1.10 1.23 -0.34 0.95 2.07 -1.79 0.29 116.25 119.75 1xfl h VAL 73 Ca 0.24 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1xfl h VAL 73 Cb 0.31 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1xfl h VAL 73 CO -0.01 0.27 0.17 0.00 0.02 0.00 0.00 177.57 178.02 1xfl h ALA 74 N 0.95 0.42 -0.79 1.67 0.00 -0.71 0.04 119.26 120.84 1xfl h ALA 74 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xfl h ALA 74 Cb 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xfl h ALA 74 CO 0.00 -0.20 0.42 1.03 0.00 0.00 0.00 179.25 180.51 1xfl h SER 75 N 0.36 0.99 -0.31 0.00 0.87 -0.48 0.37 113.55 115.35 1xfl h SER 75 Ca 0.14 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1xfl h SER 75 Cb 0.05 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1xfl h SER 75 CO -0.10 0.80 -0.14 -0.78 -0.53 0.00 0.00 176.83 176.09 1xfl h ASP 76 N 1.11 0.74 -0.29 6.23 3.58 0.04 -2.30 116.42 125.53 1xfl h ASP 76 Ca 0.28 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1xfl h ASP 76 Cb 0.04 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.89 1xfl h ASP 76 CO -0.04 0.90 0.00 0.79 -2.88 0.00 0.00 179.24 178.00 1xfl n TRP 77 N -4.15 0.37 -2.08 0.28 7.02 -0.09 -4.93 117.44 113.84 1xfl n TRP 77 Ca 0.01 -0.18 -0.16 0.00 -1.02 0.00 0.00 57.50 56.15 1xfl n TRP 77 Cb 0.38 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.25 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 0.99 -0.40 -2.18 6.99 0.00 0.14 -4.93 120.51 121.12 1xfl n ALA 78 Ca 0.18 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 1xfl n ALA 78 Cb 0.49 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.73 3.51 -0.02 0.00 -1.09 0.11 -4.71 121.20 116.27 1xfl s ILE 79 Ca 0.00 0.36 0.05 0.00 -2.23 0.00 0.00 60.65 58.83 1xfl s ILE 79 Cb 0.00 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.66 1xfl s ILE 79 CO 0.00 -1.04 0.08 1.67 -1.23 0.00 0.00 174.94 174.43 1xfl n GLN 80 N 9.02 1.26 -4.10 2.79 7.27 -1.26 -4.64 117.38 127.71 1xfl n GLN 80 Ca 0.17 -0.03 -0.33 0.00 0.07 0.00 0.00 57.00 56.87 1xfl n GLN 80 Cb 0.50 -1.13 -0.07 0.00 2.41 0.00 0.00 30.24 31.96 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xfl s ALA 81 N -2.28 3.58 -0.03 1.69 0.00 -1.26 -5.10 121.76 118.36 1xfl s ALA 81 Ca -0.02 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1xfl s ALA 81 Cb 0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1xfl s ALA 81 CO 0.22 0.69 -0.20 -1.64 0.00 0.00 0.00 175.76 174.83 1xfl s MET 82 N -1.71 1.80 0.28 0.00 -1.94 -1.26 -3.84 119.30 112.64 1xfl s MET 82 Ca 0.23 -0.70 -0.04 0.00 -1.71 0.00 0.00 55.69 53.47 1xfl s MET 82 Cb -0.12 -1.64 -0.05 0.00 2.01 0.00 0.00 34.83 35.03 1xfl s MET 82 CO 0.14 0.36 0.53 -1.25 -0.01 0.00 0.00 175.02 174.78 1xfl s PRO 83 N -0.25 3.59 -0.15 2.03 0.04 -1.26 -4.42 135.00 134.58 1xfl s PRO 83 Ca 0.02 -0.09 -0.00 0.00 0.04 0.00 0.00 61.00 60.96 1xfl s PRO 83 Cb -0.10 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1xfl s PRO 83 CO 0.01 0.24 -0.13 0.99 0.04 0.00 0.00 177.00 178.14 1xfl s THR 84 N -2.08 2.90 -0.23 1.26 2.01 0.00 -0.33 115.64 119.17 1xfl s THR 84 Ca 0.42 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1xfl s THR 84 Cb -0.11 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1xfl s THR 84 CO 0.31 0.51 0.03 -0.36 -0.69 0.00 0.00 174.62 174.41 1xfl s PHE 85 N 0.73 3.06 -0.19 4.92 0.08 0.55 -0.28 117.98 126.85 1xfl s PHE 85 Ca -0.06 -0.49 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 1xfl s PHE 85 Cb -0.15 -2.16 -0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1xfl s PHE 85 CO 0.01 -0.33 -0.11 1.41 -0.10 0.00 0.00 175.22 176.11 1xfl s MET 86 N 1.35 3.26 -0.28 0.44 -2.45 0.82 0.05 119.30 122.48 1xfl s MET 86 Ca 0.05 -0.70 -0.09 0.00 -1.25 0.00 0.00 55.69 53.70 1xfl s MET 86 Cb -0.15 -2.80 -0.02 0.00 1.25 0.00 0.00 34.83 33.11 1xfl s MET 86 CO 0.02 -0.12 0.12 -0.06 1.05 0.00 0.00 175.02 176.03 1xfl s PHE 87 N 1.20 3.14 0.32 4.11 0.40 0.38 -0.15 117.98 127.38 1xfl s PHE 87 Ca 0.02 -0.51 0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1xfl s PHE 87 Cb -0.14 -2.30 -0.06 0.00 0.51 0.00 0.00 43.02 41.03 1xfl s PHE 87 CO -0.04 -0.41 -0.10 -0.51 0.70 0.00 0.00 175.22 174.85 1xfl s LEU 88 N 1.61 2.66 -0.05 -0.37 1.43 -0.48 -1.84 118.68 121.64 1xfl s LEU 88 Ca 0.05 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 51.96 1xfl s LEU 88 Cb -0.16 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1xfl s LEU 88 CO 0.05 -0.20 0.10 -0.75 0.23 0.00 0.00 176.35 175.78 1xfl s LYS 89 N -3.62 -0.00 -1.98 1.70 2.20 0.12 -3.46 119.74 114.70 1xfl s LYS 89 Ca 0.31 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1xfl s LYS 89 Cb 0.02 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 1xfl s LYS 89 CO 0.15 -0.25 0.00 0.39 -0.36 0.00 0.00 175.35 175.28 1xfl n GLU 90 N 4.77 -1.56 -0.43 4.03 1.02 -0.94 -0.86 120.64 126.68 1xfl n GLU 90 Ca -0.15 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1xfl n GLU 90 Cb 0.50 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 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 -0.64 0.76 3.41 0.62 0.00 -0.93 -4.29 105.19 104.13 1xfl n GLY 91 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1xfl n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xfl s LYS 92 N -0.57 1.67 0.03 1.61 2.47 -0.04 -4.79 119.74 120.12 1xfl s LYS 92 Ca 0.00 -1.21 -0.30 0.00 -1.56 0.00 0.00 55.97 52.90 1xfl s LYS 92 Cb 0.00 -2.01 -0.05 0.00 -1.46 0.00 0.00 37.83 34.31 1xfl s LYS 92 CO 0.00 0.48 1.25 0.42 0.16 0.00 0.00 175.35 177.66 1xfl s ILE 93 N -1.00 3.97 -0.19 5.43 1.01 -1.26 0.13 121.20 129.29 1xfl s ILE 93 Ca 0.14 1.38 -0.18 0.00 0.00 0.00 0.00 60.65 62.00 1xfl s ILE 93 Cb -0.10 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 1xfl s ILE 93 CO 0.06 0.06 -0.35 0.18 0.00 0.00 0.00 174.94 174.89 1xfl n LEU 94 N 4.49 1.94 -3.45 2.97 4.77 -0.80 -4.85 117.00 122.07 1xfl n LEU 94 Ca 0.10 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1xfl n LEU 94 Cb 0.45 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1xfl n LEU 94 CO 0.56 -0.18 0.43 1.51 -1.33 0.00 0.00 177.39 178.38 1xfl s ASP 95 N -6.08 -0.58 -0.02 -1.43 1.47 -0.77 -5.05 116.67 104.21 1xfl s ASP 95 Ca -0.30 0.19 -0.01 0.00 1.18 0.00 0.00 52.55 53.61 1xfl s ASP 95 Cb 0.05 0.57 0.01 0.00 -0.34 0.00 0.00 42.92 43.21 1xfl s ASP 95 CO 0.44 -0.85 0.04 -0.75 0.68 0.00 0.00 175.17 174.72 1xfl s LYS 96 N -3.02 0.03 -0.19 2.11 2.20 -1.26 -0.47 119.74 119.13 1xfl s LYS 96 Ca -0.02 0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.66 1xfl s LYS 96 Cb -0.01 -0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.30 1xfl s LYS 96 CO -0.07 -0.03 -0.14 0.08 -0.36 0.00 0.00 175.35 174.83 1xfl s VAL 97 N 0.20 2.60 -0.25 4.02 1.01 0.11 -5.00 120.40 123.09 1xfl s VAL 97 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1xfl s VAL 97 Cb -0.02 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1xfl s VAL 97 CO -0.01 0.49 0.06 0.54 0.00 0.00 0.00 175.10 176.19 1xfl s VAL 98 N 1.31 4.17 0.00 2.92 0.11 -1.26 -0.33 120.40 127.32 1xfl s VAL 98 Ca 0.04 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1xfl s VAL 98 Cb -0.14 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 1xfl s VAL 98 CO -0.08 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1xfl n GLY 99 N 4.91 2.21 3.53 6.54 0.00 0.55 -4.88 105.19 118.03 1xfl n GLY 99 Ca -0.16 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.72 3.27 -0.21 4.61 0.00 -1.26 -4.72 121.76 120.73 1xfl s ALA 100 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1xfl s ALA 100 Cb 0.00 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1xfl s ALA 100 CO 0.00 -2.03 -0.06 0.15 0.00 0.00 0.00 175.76 173.83 1xfl s LYS 101 N 3.34 1.64 0.08 0.00 1.02 -1.26 -5.02 119.74 119.54 1xfl s LYS 101 Ca 0.28 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 55.18 1xfl s LYS 101 Cb -0.13 -2.45 -0.13 0.00 -0.52 0.00 0.00 37.83 34.60 1xfl s LYS 101 CO 0.21 -0.54 1.68 -0.22 -0.92 0.00 0.00 175.35 175.55 1xfl h LYS 102 N 8.00 0.10 -0.12 1.68 3.64 -1.99 -0.76 116.57 127.12 1xfl h LYS 102 Ca -0.21 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1xfl h LYS 102 Cb 1.08 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1xfl h LYS 102 CO 0.42 0.14 0.01 0.22 -2.27 0.00 0.00 179.45 177.97 1xfl h ASP 103 N 0.02 0.20 -0.11 4.20 3.58 -1.99 -1.19 116.42 121.14 1xfl h ASP 103 Ca 0.02 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.13 1xfl h ASP 103 Cb 0.08 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1xfl h ASP 103 CO -0.00 0.44 -0.07 -0.08 -2.88 0.00 0.00 179.24 176.65 1xfl h GLU 104 N -0.05 0.40 -0.00 0.28 4.81 -1.99 -0.44 114.58 117.59 1xfl h GLU 104 Ca 0.04 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xfl h GLU 104 Cb 0.34 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1xfl h GLU 104 CO 0.00 0.48 0.00 1.25 -0.73 0.00 0.00 179.01 180.02 1xfl h LEU 105 N 0.38 0.00 -1.01 1.64 5.85 -0.87 0.33 115.31 121.63 1xfl h LEU 105 Ca 0.08 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1xfl h LEU 105 Cb 0.37 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1xfl h LEU 105 CO 0.02 0.14 0.65 1.56 -0.34 0.00 0.00 178.44 180.46 1xfl h GLN 106 N -0.13 1.14 -0.69 1.25 1.08 -0.63 0.28 115.11 117.42 1xfl h GLN 106 Ca 0.00 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1xfl h GLN 106 Cb 0.13 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1xfl h GLN 106 CO -0.00 0.76 0.14 1.03 -0.95 0.00 0.00 178.83 179.80 1xfl h SER 107 N 1.18 1.07 0.30 1.46 0.87 -0.71 0.87 113.55 118.58 1xfl h SER 107 Ca 0.43 -0.25 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 1xfl h SER 107 Cb 0.17 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1xfl h SER 107 CO -0.17 1.04 -0.56 0.74 -0.53 0.00 0.00 176.83 177.35 1xfl h THR 108 N 1.05 1.37 -0.34 2.23 2.02 0.32 -1.42 112.91 118.14 1xfl h THR 108 Ca 0.21 -1.88 -0.06 0.00 0.77 0.00 0.00 66.41 65.45 1xfl h THR 108 Cb 0.41 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1xfl h THR 108 CO 0.01 0.56 -0.04 0.40 0.37 0.00 0.00 175.52 176.82 1xfl h ILE 109 N 0.21 1.27 -0.12 3.11 1.08 0.09 -2.44 117.51 120.72 1xfl h ILE 109 Ca 0.00 -1.05 -0.04 0.00 -0.39 0.00 0.00 64.86 63.38 1xfl h ILE 109 Cb 1.06 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1xfl h ILE 109 CO 0.09 0.34 -0.10 0.00 -0.69 0.00 0.00 178.15 177.79 1xfl h ALA 110 N 0.83 1.61 -0.57 1.87 0.00 -0.67 0.37 119.26 122.70 1xfl h ALA 110 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xfl h ALA 110 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1xfl h ALA 110 CO 0.02 0.28 0.34 -0.22 0.00 0.00 0.00 179.25 179.68 1xfl h LYS 111 N 0.17 0.77 0.00 0.00 3.64 -0.93 -2.80 116.57 117.43 1xfl h LYS 111 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xfl h LYS 111 Cb 0.29 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xfl h LYS 111 CO 0.02 0.56 -0.51 0.45 -2.27 0.00 0.00 179.45 177.69 1xfl h HIS 112 N 0.77 0.00 -2.73 1.91 3.86 -0.86 -3.45 115.15 114.65 1xfl h HIS 112 Ca 0.20 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.85 1xfl h HIS 112 Cb -0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1xfl h HIS 112 CO -0.02 0.00 1.13 -1.17 0.86 0.00 0.00 177.93 178.73 1xfl s LEU 113 N -5.40 3.93 0.00 2.43 0.20 0.12 -5.09 118.68 114.86 1xfl s LEU 113 Ca 0.04 1.69 0.00 0.00 0.69 0.00 0.00 54.13 56.55 1xfl s LEU 113 Cb 0.09 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.32 1xfl s LEU 113 CO 0.72 -1.24 0.00 0.00 -0.29 0.00 0.00 176.35 175.54