#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 2.97 0.33 -5.12 0.00 -1.26 -5.05 121.76 113.63 1xfl s ALA 2 Ca 0.00 -2.61 -0.16 0.00 0.00 0.00 0.00 51.96 49.19 1xfl s ALA 2 Cb 0.00 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 21.11 1xfl s ALA 2 CO 0.00 -1.74 0.70 -1.12 0.00 0.00 0.00 175.76 173.61 1xfl s SER 3 N 0.88 -0.01 -0.28 0.00 0.01 -1.26 -5.11 113.70 107.93 1xfl s SER 3 Ca 0.11 -0.97 -0.29 0.00 1.31 0.00 0.00 55.95 56.12 1xfl s SER 3 Cb -0.20 0.76 -0.01 0.00 0.21 0.00 0.00 66.02 66.78 1xfl s SER 3 CO -0.07 -1.48 1.51 -1.83 0.41 0.00 0.00 173.24 171.78 1xfl s GLU 4 N -3.13 3.76 0.22 12.44 1.03 -1.26 -4.99 118.70 126.78 1xfl s GLU 4 Ca 0.16 1.42 0.11 0.00 0.03 0.00 0.00 54.97 56.69 1xfl s GLU 4 Cb -0.05 -4.00 -0.05 0.00 -0.80 0.00 0.00 34.13 29.24 1xfl s GLU 4 CO 0.10 -1.32 -0.20 -2.00 -1.33 0.00 0.00 175.26 170.51 1xfl s GLU 5 N 4.64 1.50 0.00 -4.83 -6.30 -1.26 -4.59 118.70 107.86 1xfl s GLU 5 Ca 0.66 -1.59 0.00 0.00 -2.50 0.00 0.00 54.97 51.55 1xfl s GLU 5 Cb -0.21 -1.63 0.00 0.00 0.00 0.00 0.00 34.13 32.29 1xfl s GLU 5 CO 0.28 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1xfl n GLY 6 N -0.08 0.52 3.84 -1.50 0.00 -1.24 -4.90 105.19 101.83 1xfl n GLY 6 Ca -0.10 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.39 3.99 -0.11 1.61 -2.07 -1.26 -4.24 119.66 116.19 1xfl s GLN 7 Ca 0.00 0.49 0.03 0.00 -1.82 0.00 0.00 55.36 54.06 1xfl s GLN 7 Cb 0.00 -3.08 -0.00 0.00 -1.09 0.00 0.00 33.01 28.84 1xfl s GLN 7 CO 0.00 0.58 -0.21 0.08 -1.32 0.00 0.00 175.29 174.41 1xfl s VAL 8 N -1.28 2.27 -0.41 3.63 1.01 -1.26 -4.41 120.40 119.95 1xfl s VAL 8 Ca 0.32 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 1xfl s VAL 8 Cb -0.16 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1xfl s VAL 8 CO 0.18 0.55 0.86 -0.63 0.00 0.00 0.00 175.10 176.05 1xfl s ILE 9 N 0.39 4.60 -0.34 2.22 -1.09 0.55 -4.81 121.20 122.73 1xfl s ILE 9 Ca -0.16 0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 58.85 1xfl s ILE 9 Cb -0.17 -4.33 0.01 0.00 -1.58 0.00 0.00 42.46 36.39 1xfl s ILE 9 CO 0.07 -0.63 0.78 0.00 -1.23 0.00 0.00 174.94 173.93 1xfl s ALA 10 N 3.42 3.46 -0.18 9.38 0.00 -1.25 0.13 121.76 136.71 1xfl s ALA 10 Ca 0.34 -0.58 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 1xfl s ALA 10 Cb -0.12 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1xfl s ALA 10 CO 0.21 -1.39 0.05 0.00 0.00 0.00 0.00 175.76 174.64 1xfl n HIS 12 N 3.62 0.00 -4.12 0.00 8.25 -1.26 -2.72 115.22 118.99 1xfl n HIS 12 Ca -0.17 -0.37 -0.15 0.00 -0.26 0.00 0.00 57.72 56.78 1xfl n HIS 12 Cb 0.52 -0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.73 0.50 0.15 1.59 -4.23 -1.26 -4.86 115.64 106.81 1xfl s THR 13 Ca 0.00 -0.69 0.23 0.00 -1.18 0.00 0.00 61.69 60.05 1xfl s THR 13 Cb 0.00 -0.51 0.21 0.00 1.34 0.00 0.00 72.50 73.55 1xfl s THR 13 CO 0.00 -0.14 1.81 1.62 -0.54 0.00 0.00 174.62 177.37 1xfl h VAL 14 N 4.73 0.63 0.20 2.29 3.04 -1.98 -1.94 116.25 123.22 1xfl h VAL 14 Ca -0.32 -1.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.17 1xfl h VAL 14 Cb 1.20 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1xfl h VAL 14 CO 0.45 0.25 -0.10 -0.08 -1.01 0.00 0.00 177.57 177.08 1xfl h GLU 15 N 0.00 -0.27 -0.44 4.17 4.57 -1.98 0.24 114.58 120.87 1xfl h GLU 15 Ca -0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1xfl h GLU 15 Cb 0.77 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1xfl h GLU 15 CO 0.03 -0.18 0.13 1.15 -1.18 0.00 0.00 179.01 178.96 1xfl h THR 16 N -0.28 1.23 0.06 0.32 2.02 -1.94 -0.01 112.91 114.31 1xfl h THR 16 Ca -0.02 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.42 1xfl h THR 16 Cb 0.22 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1xfl h THR 16 CO 0.04 0.27 -0.23 -0.25 0.37 0.00 0.00 175.52 175.72 1xfl h TRP 17 N 0.58 -0.61 -0.15 3.16 2.91 -1.16 0.22 115.95 120.90 1xfl h TRP 17 Ca 0.14 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 1xfl h TRP 17 Cb 0.28 0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 1xfl h TRP 17 CO 0.01 -0.32 0.06 -0.97 -1.03 0.00 0.00 178.44 176.19 1xfl h ASN 18 N -0.40 0.21 -0.30 2.65 -0.73 -0.39 -2.36 115.58 114.26 1xfl h ASN 18 Ca 0.04 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 1xfl h ASN 18 Cb 0.44 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 1xfl h ASN 18 CO -0.16 0.33 0.16 -0.08 -0.37 0.00 0.00 177.43 177.30 1xfl h GLU 19 N 0.08 0.43 -0.85 6.67 4.81 -0.86 -0.11 114.58 124.74 1xfl h GLU 19 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xfl h GLU 19 Cb 0.19 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1xfl h GLU 19 CO -0.00 0.38 0.49 1.96 -0.73 0.00 0.00 179.01 181.11 1xfl h GLN 20 N 0.36 1.17 -0.23 1.92 1.08 -0.89 0.26 115.11 118.78 1xfl h GLN 20 Ca 0.11 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 1xfl h GLN 20 Cb 0.08 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1xfl h GLN 20 CO -0.02 0.83 -0.30 -0.07 -0.95 0.00 0.00 178.83 178.33 1xfl h LEU 21 N 1.18 0.67 -0.64 1.46 3.38 -1.11 0.10 115.31 120.35 1xfl h LEU 21 Ca 0.30 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xfl h LEU 21 Cb -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1xfl h LEU 21 CO -0.05 1.04 0.42 -0.61 0.09 0.00 0.00 178.44 179.32 1xfl h GLN 22 N 0.32 0.83 -0.39 1.13 4.15 -0.57 0.20 115.11 120.77 1xfl h GLN 22 Ca 0.03 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1xfl h GLN 22 Cb 0.88 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 1xfl h GLN 22 CO 0.07 0.55 0.11 -0.22 -1.93 0.00 0.00 178.83 177.42 1xfl h LYS 23 N 0.86 0.62 -0.44 1.69 3.64 -0.39 -0.64 116.57 121.90 1xfl h LYS 23 Ca 0.23 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 1xfl h LYS 23 Cb -0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1xfl h LYS 23 CO -0.05 0.63 -0.26 0.00 -2.27 0.00 0.00 179.45 177.50 1xfl h ALA 24 N 0.96 0.70 0.29 5.00 0.00 -0.41 -0.28 119.26 125.52 1xfl h ALA 24 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xfl h ALA 24 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xfl h ALA 24 CO -0.00 0.67 -0.14 -0.97 0.00 0.00 0.00 179.25 178.81 1xfl h ASN 25 N 0.80 -0.33 -0.55 0.00 -1.24 -0.49 0.92 115.58 114.70 1xfl h ASN 25 Ca 0.10 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 1xfl h ASN 25 Cb 0.83 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.94 1xfl h ASN 25 CO 0.07 -0.15 0.21 -0.08 -1.29 0.00 0.00 177.43 176.19 1xfl h GLU 26 N -0.50 0.83 -0.02 6.67 4.81 -1.09 -2.88 114.58 122.40 1xfl h GLU 26 Ca -0.04 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1xfl h GLU 26 Cb 0.37 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xfl h GLU 26 CO 0.07 0.73 0.00 0.43 -0.73 0.00 0.00 179.01 179.50 1xfl n SER 27 N -4.50 0.90 -1.64 1.04 7.64 -0.12 -4.89 113.62 112.06 1xfl n SER 27 Ca 0.03 -1.32 -0.17 0.00 1.01 0.00 0.00 58.87 58.41 1xfl n SER 27 Cb 0.17 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.28 -1.29 -2.84 1.43 5.02 -0.23 -4.97 118.16 114.99 1xfl n LYS 28 Ca 0.21 0.99 -0.37 0.00 -2.02 0.00 0.00 58.31 57.11 1xfl n LYS 28 Cb 0.25 -5.33 -0.06 0.00 -0.02 0.00 0.00 35.03 29.87 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 -2.75 4.27 -0.03 -0.18 2.01 0.15 -4.22 115.64 114.89 1xfl s THR 29 Ca 0.00 1.76 -0.27 0.00 0.31 0.00 0.00 61.69 63.49 1xfl s THR 29 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1xfl s THR 29 CO 0.00 0.22 0.84 -0.22 -0.69 0.00 0.00 174.62 174.76 1xfl s LEU 30 N -1.88 4.34 -0.04 4.42 0.20 -1.26 -2.12 118.68 122.34 1xfl s LEU 30 Ca 0.47 1.42 0.06 0.00 0.69 0.00 0.00 54.13 56.77 1xfl s LEU 30 Cb -0.19 -3.32 -0.01 0.00 -0.43 0.00 0.00 46.19 42.24 1xfl s LEU 30 CO 0.24 -0.18 -0.21 0.54 -0.29 0.00 0.00 176.35 176.45 1xfl s VAL 31 N 0.89 1.73 -0.06 1.68 0.11 -1.11 -2.72 120.40 120.92 1xfl s VAL 31 Ca 0.45 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1xfl s VAL 31 Cb -0.19 -1.46 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1xfl s VAL 31 CO 0.23 0.49 -0.15 0.54 -3.33 0.00 0.00 175.10 172.88 1xfl s VAL 32 N -0.19 1.29 -0.09 2.04 0.11 -0.92 -0.98 120.40 121.66 1xfl s VAL 32 Ca -0.00 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1xfl s VAL 32 Cb -0.11 -1.14 -0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1xfl s VAL 32 CO 0.02 0.38 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.24 1xfl s VAL 33 N 0.38 2.02 -0.36 2.04 1.01 0.47 -0.41 120.40 125.55 1xfl s VAL 33 Ca -0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 1xfl s VAL 33 Cb -0.14 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1xfl s VAL 33 CO 0.03 0.55 0.18 -0.62 0.00 0.00 0.00 175.10 175.25 1xfl s ASP 34 N 0.25 5.64 -0.31 3.32 2.15 0.37 -0.19 116.67 127.90 1xfl s ASP 34 Ca -0.16 -0.90 -0.19 0.00 0.43 0.00 0.00 52.55 51.74 1xfl s ASP 34 Cb -0.17 -2.00 -0.01 0.00 -0.30 0.00 0.00 42.92 40.43 1xfl s ASP 34 CO 0.08 -0.33 0.57 -0.36 -0.17 0.00 0.00 175.17 174.95 1xfl s PHE 35 N 1.55 3.21 0.23 -5.34 0.08 0.31 -0.02 117.98 118.00 1xfl s PHE 35 Ca 0.02 0.49 -0.07 0.00 0.12 0.00 0.00 56.93 57.49 1xfl s PHE 35 Cb -0.19 -2.91 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1xfl s PHE 35 CO 0.06 -0.45 0.32 -0.08 -0.10 0.00 0.00 175.22 174.97 1xfl s THR 36 N 2.48 0.00 0.02 0.64 -1.32 -0.42 -1.98 115.64 115.06 1xfl s THR 36 Ca 0.22 -1.68 0.02 0.00 -1.21 0.00 0.00 61.69 59.04 1xfl s THR 36 Cb -0.15 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1xfl s THR 36 CO 0.12 0.00 -0.07 0.00 -2.21 0.00 0.00 174.62 172.46 1xfl s ALA 37 N -4.07 0.53 0.49 11.08 0.00 -1.26 -0.26 121.76 128.26 1xfl s ALA 37 Ca 0.30 -0.53 0.15 0.00 0.00 0.00 0.00 51.96 51.89 1xfl s ALA 37 Cb 0.03 -0.03 1.17 0.00 0.00 0.00 0.00 23.12 24.29 1xfl s ALA 37 CO 0.11 0.04 2.09 1.03 0.00 0.00 0.00 175.76 179.03 1xfl h SER 38 N 5.19 0.01 -0.32 0.00 0.87 -1.99 -1.53 113.55 115.78 1xfl h SER 38 Ca -0.32 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1xfl h SER 38 Cb 1.20 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1xfl h SER 38 CO 0.45 0.07 0.00 -2.67 -0.53 0.00 0.00 176.83 174.15 1xfl n TRP 39 N -4.47 0.42 -3.58 2.24 4.27 -1.26 -4.83 117.44 110.24 1xfl n TRP 39 Ca -0.03 -0.21 -0.37 0.00 -3.89 0.00 0.00 57.50 53.00 1xfl n TRP 39 Cb 0.14 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 29.99 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 7.97 -0.67 0.17 0.00 0.00 -1.88 -1.71 103.07 106.95 1xfl h GLY 41 Ca -0.36 0.25 0.19 0.00 0.00 0.00 0.00 47.33 47.41 1xfl h GLY 41 CO 0.62 -0.25 0.61 -2.55 0.00 0.00 0.00 176.54 174.98 1xfl h PRO 42 N -0.95 0.66 -0.41 4.80 0.11 -1.95 0.44 132.00 134.70 1xfl h PRO 42 Ca -0.07 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 1xfl h PRO 42 Cb 0.50 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1xfl h PRO 42 CO 0.11 0.43 -0.04 0.00 -0.21 0.00 0.00 178.00 178.29 1xfl h ARG 44 N 0.57 0.27 0.02 0.00 2.43 -0.17 -1.53 114.38 115.97 1xfl h ARG 44 Ca 0.11 -0.10 -0.21 0.00 -0.81 0.00 0.00 59.98 58.97 1xfl h ARG 44 Cb 0.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1xfl h ARG 44 CO 0.03 0.54 -0.95 0.35 -1.51 0.00 0.00 179.97 178.42 1xfl h PHE 45 N 0.24 0.30 0.00 2.20 3.57 -0.65 -3.25 116.94 119.35 1xfl h PHE 45 Ca 0.04 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1xfl h PHE 45 Cb 0.63 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1xfl h PHE 45 CO 0.01 1.03 -0.60 0.97 -2.23 0.00 0.00 178.31 177.49 1xfl h ILE 46 N 0.09 0.00 -0.33 1.41 6.09 -0.76 -3.38 117.51 120.64 1xfl h ILE 46 Ca -0.06 -0.63 0.07 0.00 -1.37 0.00 0.00 64.86 62.88 1xfl h ILE 46 Cb 1.61 1.26 -0.07 0.00 0.47 0.00 0.00 36.82 40.09 1xfl h ILE 46 CO 0.15 0.00 -0.14 0.00 -3.07 0.00 0.00 178.15 175.09 1xfl h ALA 47 N 2.37 0.13 -0.00 0.18 0.00 -1.31 -1.60 119.26 119.03 1xfl h ALA 47 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xfl h ALA 47 Cb 0.81 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xfl h ALA 47 CO 0.00 -0.52 -0.05 -1.00 0.00 0.00 0.00 179.25 177.68 1xfl h PRO 48 N -0.08 0.01 -0.25 0.00 0.13 -1.76 0.07 132.00 130.11 1xfl h PRO 48 Ca 0.16 -0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.10 1xfl h PRO 48 Cb 0.33 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1xfl h PRO 48 CO -0.38 0.06 -0.60 0.35 -0.23 0.00 0.00 178.00 177.20 1xfl h PHE 49 N 0.01 1.08 -0.12 1.56 3.57 -1.58 -0.37 116.94 121.08 1xfl h PHE 49 Ca 0.00 -0.40 -0.14 0.00 3.53 0.00 0.00 57.97 60.96 1xfl h PHE 49 Cb 0.10 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1xfl h PHE 49 CO 0.00 1.23 -0.52 0.35 -2.23 0.00 0.00 178.31 177.15 1xfl h PHE 50 N 0.63 0.42 -0.23 0.41 3.57 -0.64 -1.43 116.94 119.67 1xfl h PHE 50 Ca -0.00 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.25 1xfl h PHE 50 Cb 1.21 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1xfl h PHE 50 CO 0.07 0.78 -0.34 0.00 -2.23 0.00 0.00 178.31 176.60 1xfl h ALA 51 N 1.19 0.99 -0.17 2.41 0.00 -0.84 -1.84 119.26 121.00 1xfl h ALA 51 Ca 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1xfl h ALA 51 Cb 1.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xfl h ALA 51 CO 0.09 0.60 -0.30 0.22 0.00 0.00 0.00 179.25 179.85 1xfl h ASP 52 N 0.41 0.34 -0.28 0.00 3.58 -0.71 -0.90 116.42 118.86 1xfl h ASP 52 Ca 0.05 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1xfl h ASP 52 Cb 0.79 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1xfl h ASP 52 CO 0.06 0.64 0.12 -0.07 -2.88 0.00 0.00 179.24 177.11 1xfl h LEU 53 N 0.29 0.38 -1.40 2.28 3.38 -0.86 -1.94 115.31 117.44 1xfl h LEU 53 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1xfl h LEU 53 Cb 0.69 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1xfl h LEU 53 CO 0.05 0.42 -0.04 0.00 0.09 0.00 0.00 178.44 178.97 1xfl h ALA 54 N 0.97 1.51 0.00 1.53 0.00 -0.80 0.60 119.26 123.07 1xfl h ALA 54 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xfl h ALA 54 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xfl h ALA 54 CO -0.01 0.35 -0.23 -0.22 0.00 0.00 0.00 179.25 179.14 1xfl h LYS 55 N 0.34 0.00 0.01 0.00 3.64 -0.92 -3.21 116.57 116.43 1xfl h LYS 55 Ca 0.08 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.10 1xfl h LYS 55 Cb 0.29 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1xfl h LYS 55 CO 0.01 0.23 -2.19 1.63 -2.27 0.00 0.00 179.45 176.87 1xfl n LYS 56 N -4.21 0.67 -3.62 1.90 5.02 -0.55 -4.64 118.16 112.75 1xfl n LYS 56 Ca -0.02 0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 1xfl n LYS 56 Cb 0.29 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 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 -5.91 5.60 0.05 -0.35 1.02 0.09 -4.92 118.68 114.28 1xfl s LEU 57 Ca -0.13 -2.27 0.26 0.00 0.02 0.00 0.00 54.13 52.01 1xfl s LEU 57 Cb 0.07 -1.95 0.67 0.00 0.02 0.00 0.00 46.19 44.99 1xfl s LEU 57 CO 0.79 -0.57 1.55 -0.81 0.02 0.00 0.00 176.35 177.34 1xfl n PRO 58 N 4.37 0.11 0.06 1.29 -0.04 -1.26 -3.67 135.00 135.87 1xfl n PRO 58 Ca -0.00 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1xfl n PRO 58 Cb 0.41 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 1xfl n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xfl n ASN 59 N -1.75 0.85 -4.76 3.54 5.15 -1.26 -4.80 115.26 112.23 1xfl n ASN 59 Ca 0.05 0.35 -0.39 0.00 -0.60 0.00 0.00 54.58 54.00 1xfl n ASN 59 Cb 0.37 0.30 -0.06 0.00 -0.53 0.00 0.00 39.78 39.86 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 -3.12 4.98 -0.34 3.44 1.01 -1.24 -4.74 120.40 120.40 1xfl s VAL 60 Ca -0.02 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.98 1xfl s VAL 60 Cb 0.09 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1xfl s VAL 60 CO 0.80 0.40 0.33 -0.22 0.00 0.00 0.00 175.10 176.42 1xfl s LEU 61 N -0.05 4.43 0.01 3.92 1.98 -1.10 -4.95 118.68 122.93 1xfl s LEU 61 Ca 0.30 -0.25 -0.09 0.00 -2.89 0.00 0.00 54.13 51.19 1xfl s LEU 61 Cb -0.17 -2.29 -0.05 0.00 0.66 0.00 0.00 46.19 44.33 1xfl s LEU 61 CO 0.15 -0.30 0.32 -0.36 -1.89 0.00 0.00 176.35 174.27 1xfl s PHE 62 N 1.95 3.62 0.07 5.38 0.40 -1.26 -2.16 117.98 125.98 1xfl s PHE 62 Ca 0.11 0.73 0.06 0.00 -0.60 0.00 0.00 56.93 57.23 1xfl s PHE 62 Cb -0.17 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1xfl s PHE 62 CO 0.11 0.61 -0.17 -0.51 0.70 0.00 0.00 175.22 175.97 1xfl s LEU 63 N -1.55 2.24 -0.17 -0.37 1.02 0.46 -0.33 118.68 119.98 1xfl s LEU 63 Ca 0.27 -0.58 -0.00 0.00 0.02 0.00 0.00 54.13 53.83 1xfl s LEU 63 Cb -0.14 -0.69 0.04 0.00 0.02 0.00 0.00 46.19 45.42 1xfl s LEU 63 CO 0.14 0.02 -0.07 -0.75 0.02 0.00 0.00 176.35 175.71 1xfl s LYS 64 N -1.57 1.63 -0.12 1.70 2.20 0.12 -0.48 119.74 123.22 1xfl s LYS 64 Ca 0.02 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1xfl s LYS 64 Cb -0.09 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.12 1xfl s LYS 64 CO 0.02 -0.41 -0.18 0.08 -0.36 0.00 0.00 175.35 174.50 1xfl s VAL 65 N 1.57 2.57 -0.74 4.02 1.01 0.97 -0.24 120.40 129.56 1xfl s VAL 65 Ca 0.01 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 1xfl s VAL 65 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1xfl s VAL 65 CO -0.08 0.54 1.43 -0.62 0.00 0.00 0.00 175.10 176.37 1xfl s ASP 66 N 0.40 5.98 0.01 3.32 -1.08 -1.10 -1.30 116.67 122.89 1xfl s ASP 66 Ca -0.14 -0.37 0.19 0.00 -0.52 0.00 0.00 52.55 51.71 1xfl s ASP 66 Cb -0.17 -2.55 0.80 0.00 -1.46 0.00 0.00 42.92 39.54 1xfl s ASP 66 CO 0.06 -1.95 1.60 1.07 0.52 0.00 0.00 175.17 176.48 1xfl n THR 67 N 6.62 0.71 -0.01 1.71 5.66 0.63 -1.61 114.28 127.99 1xfl n THR 67 Ca 0.10 0.17 -0.16 0.00 -3.05 0.00 0.00 64.05 61.11 1xfl n THR 67 Cb 0.50 -0.86 -0.11 0.00 -1.55 0.00 0.00 70.33 68.31 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 0.39 0.44 1.09 3.58 -1.88 -2.99 116.42 117.05 1xfl h ASP 68 Ca 0.00 -0.77 -0.02 0.00 0.42 0.00 0.00 57.03 56.66 1xfl h ASP 68 Cb 0.33 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1xfl h ASP 68 CO 0.00 1.11 -0.21 -0.33 -2.88 0.00 0.00 179.24 176.93 1xfl h GLU 69 N -0.28 -0.57 -2.00 0.28 5.08 -1.88 -3.27 114.58 111.95 1xfl h GLU 69 Ca -0.05 0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1xfl h GLU 69 Cb 1.17 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1xfl h GLU 69 CO 0.09 -0.27 -0.31 1.28 -1.00 0.00 0.00 179.01 178.80 1xfl n LEU 70 N -5.20 5.32 0.22 1.33 4.32 -0.64 -4.55 117.00 117.81 1xfl n LEU 70 Ca -0.09 -3.16 0.06 0.00 -0.02 0.00 0.00 56.01 52.79 1xfl n LEU 70 Cb 0.29 -1.38 0.50 0.00 -1.62 0.00 0.00 43.42 41.20 1xfl n LEU 70 CO 0.26 1.64 0.85 0.07 -1.22 0.00 0.00 177.39 178.99 1xfl h LYS 71 N 2.82 0.00 -0.00 3.23 5.09 -1.58 -0.89 116.57 125.24 1xfl h LYS 71 Ca 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.77 1xfl h LYS 71 Cb 1.43 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.74 1xfl h LYS 71 CO 0.25 0.24 -0.71 0.77 -2.09 0.00 0.00 179.45 177.91 1xfl h SER 72 N 0.00 0.03 -0.22 7.07 0.02 -1.88 -1.75 113.55 116.82 1xfl h SER 72 Ca -0.00 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1xfl h SER 72 Cb 0.47 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1xfl h SER 72 CO 0.03 0.73 -0.39 0.58 -1.14 0.00 0.00 176.83 176.63 1xfl h VAL 73 N 0.02 1.32 -0.21 2.27 2.07 -1.75 -2.98 116.25 116.98 1xfl h VAL 73 Ca -0.01 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 65.95 1xfl h VAL 73 Cb 1.25 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 1xfl h VAL 73 CO 0.09 0.50 -0.08 0.00 0.02 0.00 0.00 177.57 178.11 1xfl h ALA 74 N 0.62 0.10 -0.67 1.67 0.00 -0.94 -0.89 119.26 119.14 1xfl h ALA 74 Ca 0.01 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xfl h ALA 74 Cb 0.99 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1xfl h ALA 74 CO 0.09 -0.50 0.45 0.77 0.00 0.00 0.00 179.25 180.05 1xfl h SER 75 N -0.04 0.75 0.15 0.00 0.02 -1.35 0.22 113.55 113.29 1xfl h SER 75 Ca 0.11 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 1xfl h SER 75 Cb 0.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1xfl h SER 75 CO -0.24 0.53 -0.78 -0.78 -1.14 0.00 0.00 176.83 174.42 1xfl h ASP 76 N 0.88 0.63 -0.36 3.07 3.58 -1.21 -2.87 116.42 120.13 1xfl h ASP 76 Ca 0.26 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1xfl h ASP 76 Cb -0.04 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1xfl h ASP 76 CO -0.06 1.19 0.00 0.79 -2.88 0.00 0.00 179.24 178.28 1xfl n TRP 77 N -3.85 0.49 -2.17 0.28 7.02 -0.41 -4.90 117.44 113.89 1xfl n TRP 77 Ca -0.06 -0.24 -0.16 0.00 -1.02 0.00 0.00 57.50 56.02 1xfl n TRP 77 Cb 0.74 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.61 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 0.55 -0.44 -2.78 6.99 0.00 -0.47 -4.94 120.51 119.42 1xfl n ALA 78 Ca 0.12 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 1xfl n ALA 78 Cb 0.31 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.78 4.19 -0.16 0.00 -1.09 0.66 -4.73 121.20 117.29 1xfl s ILE 79 Ca 0.00 -0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1xfl s ILE 79 Cb 0.00 -4.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.07 1xfl s ILE 79 CO 0.00 -1.57 0.16 0.00 -1.23 0.00 0.00 174.94 172.30 1xfl n GLN 80 N 8.07 4.69 -4.43 2.79 -0.00 -1.26 -4.42 117.38 122.82 1xfl n GLN 80 Ca 0.01 -0.01 -0.23 0.00 -0.00 0.00 0.00 57.00 56.78 1xfl n GLN 80 Cb 0.47 -0.76 -0.13 0.00 -0.00 0.00 0.00 30.24 29.81 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xfl s ALA 81 N -1.54 1.50 0.07 2.61 0.00 -1.26 -5.15 121.76 117.98 1xfl s ALA 81 Ca 0.01 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 51.06 1xfl s ALA 81 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1xfl s ALA 81 CO 0.17 0.30 -0.24 -1.64 0.00 0.00 0.00 175.76 174.36 1xfl s MET 82 N -1.33 1.49 0.33 0.00 -1.94 -1.26 -4.01 119.30 112.57 1xfl s MET 82 Ca 0.04 -1.10 -0.07 0.00 -1.71 0.00 0.00 55.69 52.86 1xfl s MET 82 Cb -0.09 -1.71 -0.06 0.00 2.01 0.00 0.00 34.83 34.98 1xfl s MET 82 CO 0.02 0.43 0.62 -1.25 -0.01 0.00 0.00 175.02 174.83 1xfl s PRO 83 N -1.45 3.68 -0.15 2.03 0.04 -1.26 -4.47 135.00 133.41 1xfl s PRO 83 Ca 0.10 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.30 1xfl s PRO 83 Cb -0.10 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.88 1xfl s PRO 83 CO 0.03 0.13 -0.16 0.99 0.04 0.00 0.00 177.00 178.03 1xfl s THR 84 N -2.18 2.62 -0.25 1.26 2.01 -0.84 0.02 115.64 118.29 1xfl s THR 84 Ca 0.46 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1xfl s THR 84 Cb -0.11 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1xfl s THR 84 CO 0.30 0.52 0.09 -0.36 -0.69 0.00 0.00 174.62 174.49 1xfl s PHE 85 N 0.76 3.13 -0.17 4.92 0.08 0.10 -0.53 117.98 126.26 1xfl s PHE 85 Ca -0.06 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.73 1xfl s PHE 85 Cb -0.15 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 1xfl s PHE 85 CO 0.01 -0.26 -0.16 1.41 -0.10 0.00 0.00 175.22 176.11 1xfl s MET 86 N 1.50 3.12 -0.26 0.44 -2.45 0.73 0.02 119.30 122.40 1xfl s MET 86 Ca 0.06 -0.78 -0.07 0.00 -1.25 0.00 0.00 55.69 53.65 1xfl s MET 86 Cb -0.15 -2.64 -0.02 0.00 1.25 0.00 0.00 34.83 33.27 1xfl s MET 86 CO 0.05 -0.12 0.07 -0.06 1.05 0.00 0.00 175.02 176.01 1xfl s PHE 87 N 1.12 3.10 0.29 4.11 0.40 0.10 -0.40 117.98 126.71 1xfl s PHE 87 Ca 0.01 -0.58 0.08 0.00 -0.60 0.00 0.00 56.93 55.83 1xfl s PHE 87 Cb -0.14 -2.25 -0.06 0.00 0.51 0.00 0.00 43.02 41.08 1xfl s PHE 87 CO -0.06 -0.42 -0.08 -0.51 0.70 0.00 0.00 175.22 174.85 1xfl s LEU 88 N 1.58 2.55 -0.07 -0.37 1.02 -0.15 -1.56 118.68 121.67 1xfl s LEU 88 Ca 0.05 -1.18 -0.00 0.00 0.02 0.00 0.00 54.13 53.03 1xfl s LEU 88 Cb -0.16 -0.74 0.02 0.00 0.02 0.00 0.00 46.19 45.34 1xfl s LEU 88 CO 0.03 -0.28 -0.04 -0.75 0.02 0.00 0.00 176.35 175.33 1xfl s LYS 89 N -3.69 0.96 -0.32 1.70 2.20 0.73 -2.73 119.74 118.60 1xfl s LYS 89 Ca 0.30 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1xfl s LYS 89 Cb 0.03 -1.12 0.00 0.00 -1.51 0.00 0.00 37.83 35.23 1xfl s LYS 89 CO 0.13 -0.22 0.00 0.39 -0.36 0.00 0.00 175.35 175.29 1xfl n GLU 90 N 4.73 -1.23 -0.40 4.03 1.02 -0.90 -0.56 120.64 127.33 1xfl n GLU 90 Ca -0.14 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1xfl n GLU 90 Cb 0.50 -4.47 0.00 0.00 -0.02 0.00 0.00 31.44 27.45 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 -0.58 0.77 3.75 0.62 0.00 -1.24 -3.81 105.19 104.69 1xfl n GLY 91 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.60 4.14 -0.02 1.61 1.02 0.27 -4.98 119.74 121.19 1xfl s LYS 92 Ca 0.00 0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 1xfl s LYS 92 Cb 0.00 -3.39 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 1xfl s LYS 92 CO 0.00 0.33 1.66 0.42 -0.92 0.00 0.00 175.35 176.84 1xfl s ILE 93 N 0.21 3.43 -0.04 2.17 1.01 -1.26 -0.19 121.20 126.53 1xfl s ILE 93 Ca 0.15 0.64 -0.04 0.00 0.00 0.00 0.00 60.65 61.40 1xfl s ILE 93 Cb -0.13 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1xfl s ILE 93 CO 0.03 -0.04 -0.07 0.18 0.00 0.00 0.00 174.94 175.04 1xfl n LEU 94 N 6.69 0.42 -3.59 2.97 4.77 -0.72 -4.89 117.00 122.65 1xfl n LEU 94 Ca 0.17 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1xfl n LEU 94 Cb 0.42 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1xfl n LEU 94 CO 0.63 -0.46 0.23 1.51 -1.33 0.00 0.00 177.39 177.97 1xfl s ASP 95 N -4.49 -0.36 0.05 -1.43 -4.77 -0.60 -5.04 116.67 100.04 1xfl s ASP 95 Ca -0.06 -0.07 0.01 0.00 -3.30 0.00 0.00 52.55 49.13 1xfl s ASP 95 Cb 0.01 0.49 -0.03 0.00 -1.09 0.00 0.00 42.92 42.30 1xfl s ASP 95 CO 0.09 -0.80 -0.06 -1.59 0.70 0.00 0.00 175.17 173.51 1xfl s LYS 96 N -3.20 0.54 -0.09 2.11 0.00 -1.26 0.02 119.74 117.88 1xfl s LYS 96 Ca -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 55.97 55.09 1xfl s LYS 96 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 37.83 37.73 1xfl s LYS 96 CO -0.08 -0.00 -0.12 0.08 0.00 0.00 0.00 175.35 175.23 1xfl s VAL 97 N -2.12 1.19 -0.12 1.79 1.01 0.10 -4.98 120.40 117.27 1xfl s VAL 97 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1xfl s VAL 97 Cb -0.05 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1xfl s VAL 97 CO -0.02 0.38 -0.08 0.54 0.00 0.00 0.00 175.10 175.91 1xfl s VAL 98 N 1.00 3.51 0.00 2.92 0.11 -1.26 0.01 120.40 126.69 1xfl s VAL 98 Ca -0.08 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1xfl s VAL 98 Cb -0.15 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 1xfl s VAL 98 CO -0.01 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1xfl n GLY 99 N 3.12 1.55 3.58 6.54 0.00 0.10 -4.87 105.19 115.22 1xfl n GLY 99 Ca -0.18 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.80 3.09 -0.23 4.61 0.00 -1.26 -4.71 121.76 121.45 1xfl s ALA 100 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1xfl s ALA 100 Cb 0.00 -3.93 0.06 0.00 0.00 0.00 0.00 23.12 19.25 1xfl s ALA 100 CO 0.00 -2.44 -0.06 0.15 0.00 0.00 0.00 175.76 173.41 1xfl s LYS 101 N 4.60 1.69 -0.02 0.00 -0.14 -1.26 -5.03 119.74 119.58 1xfl s LYS 101 Ca 0.44 -0.96 -0.25 0.00 -1.36 0.00 0.00 55.97 53.84 1xfl s LYS 101 Cb -0.08 -2.55 -0.19 0.00 -1.68 0.00 0.00 37.83 33.34 1xfl s LYS 101 CO 0.28 -0.57 1.21 -0.22 -0.76 0.00 0.00 175.35 175.29 1xfl h LYS 102 N 7.96 -0.12 -0.10 1.68 3.11 -2.00 -2.30 116.57 124.80 1xfl h LYS 102 Ca -0.20 0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.53 1xfl h LYS 102 Cb 1.08 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.34 1xfl h LYS 102 CO 0.42 0.30 -0.42 0.22 -2.81 0.00 0.00 179.45 177.17 1xfl h ASP 103 N -0.59 0.54 -0.08 4.20 3.58 -2.00 -3.14 116.42 118.92 1xfl h ASP 103 Ca -0.01 -0.64 -0.06 0.00 0.42 0.00 0.00 57.03 56.74 1xfl h ASP 103 Cb 0.48 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1xfl h ASP 103 CO 0.02 1.08 -0.10 -0.08 -2.88 0.00 0.00 179.24 177.28 1xfl h GLU 104 N 0.02 0.38 -0.65 0.28 4.81 -2.00 -2.20 114.58 115.23 1xfl h GLU 104 Ca -0.03 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1xfl h GLU 104 Cb 1.06 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1xfl h GLU 104 CO 0.09 0.49 0.36 1.25 -0.73 0.00 0.00 179.01 180.47 1xfl h LEU 105 N 0.36 0.81 -1.62 1.64 5.85 -1.43 -1.66 115.31 119.25 1xfl h LEU 105 Ca 0.07 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1xfl h LEU 105 Cb 0.40 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1xfl h LEU 105 CO 0.02 0.67 0.09 1.56 -0.34 0.00 0.00 178.44 180.44 1xfl h GLN 106 N 0.88 0.33 -0.02 1.25 4.20 -1.36 0.93 115.11 121.32 1xfl h GLN 106 Ca 0.23 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 1xfl h GLN 106 Cb 0.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1xfl h GLN 106 CO -0.04 0.29 -0.46 0.77 -0.67 0.00 0.00 178.83 178.72 1xfl h SER 107 N 0.34 0.06 0.64 1.46 0.02 -0.96 -0.01 113.55 115.08 1xfl h SER 107 Ca 0.09 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.84 1xfl h SER 107 Cb 0.08 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1xfl h SER 107 CO -0.01 0.52 -0.76 0.74 -1.14 0.00 0.00 176.83 176.17 1xfl h THR 108 N 0.05 1.50 -0.06 -2.27 2.02 -0.32 -0.07 112.91 113.76 1xfl h THR 108 Ca -0.00 -2.48 -0.00 0.00 0.77 0.00 0.00 66.41 64.69 1xfl h THR 108 Cb 0.84 2.35 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1xfl h THR 108 CO 0.06 0.72 0.02 0.40 0.37 0.00 0.00 175.52 177.09 1xfl h ILE 109 N 0.06 1.13 -0.19 3.11 2.04 -0.24 -2.48 117.51 120.94 1xfl h ILE 109 Ca -0.02 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1xfl h ILE 109 Cb 1.34 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1xfl h ILE 109 CO 0.11 0.11 0.13 0.00 0.00 0.00 0.00 178.15 178.49 1xfl h ALA 110 N 0.87 1.88 -0.79 1.87 0.00 -0.89 0.04 119.26 122.25 1xfl h ALA 110 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xfl h ALA 110 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1xfl h ALA 110 CO -0.00 0.11 0.52 -0.22 0.00 0.00 0.00 179.25 179.66 1xfl h LYS 111 N 0.24 0.94 -0.00 0.00 3.64 -0.58 -1.05 116.57 119.76 1xfl h LYS 111 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xfl h LYS 111 Cb -0.01 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1xfl h LYS 111 CO -0.01 0.62 -0.19 0.72 -2.27 0.00 0.00 179.45 178.32 1xfl n HIS 112 N -4.45 0.00 -2.65 1.91 8.25 -0.05 -4.57 115.22 113.66 1xfl n HIS 112 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1xfl n HIS 112 Cb 0.12 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1xfl n HIS 112 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xfl s LEU 113 N -2.62 3.96 0.00 2.41 2.01 -0.40 -5.09 118.68 118.95 1xfl s LEU 113 Ca 0.23 -1.99 0.00 0.00 0.01 0.00 0.00 54.13 52.38 1xfl s LEU 113 Cb 0.19 -2.53 0.00 0.00 0.01 0.00 0.00 46.19 43.86 1xfl s LEU 113 CO 0.53 -1.27 0.00 0.00 1.01 0.00 0.00 176.35 176.61