#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 3.34 0.42 3.04 0.00 -1.26 -5.10 121.76 122.20 1xfl s ALA 2 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1xfl s ALA 2 Cb 0.00 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 20.71 1xfl s ALA 2 CO 0.00 -1.22 0.20 0.45 0.00 0.00 0.00 175.76 175.19 1xfl n SER 3 N -2.81 0.30 -4.49 0.00 2.88 -1.26 -4.93 113.62 103.31 1xfl n SER 3 Ca 0.09 -1.25 -0.43 0.00 -1.33 0.00 0.00 58.87 55.95 1xfl n SER 3 Cb 0.60 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1xfl n SER 3 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1xfl n GLU 4 N -1.37 3.23 -4.48 -1.46 4.07 -1.26 -4.87 120.64 114.49 1xfl n GLU 4 Ca 0.03 -3.39 -0.23 0.00 -0.06 0.00 0.00 57.16 53.51 1xfl n GLU 4 Cb 0.12 -3.36 -0.10 0.00 -0.06 0.00 0.00 31.44 28.04 1xfl n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1xfl s GLU 5 N 3.44 1.77 -0.42 5.31 -1.05 -1.26 -4.78 118.70 121.71 1xfl s GLU 5 Ca 0.51 -2.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.30 1xfl s GLU 5 Cb 0.03 -0.78 0.00 0.00 -0.44 0.00 0.00 34.13 32.94 1xfl s GLU 5 CO 0.05 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.36 1xfl n GLY 6 N -0.79 0.65 3.00 -3.83 0.00 -0.96 -4.85 105.19 98.41 1xfl n GLY 6 Ca -0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.71 0.36 -0.09 1.61 1.03 -1.26 -4.77 119.66 114.83 1xfl s GLN 7 Ca 0.00 -0.59 0.03 0.00 0.04 0.00 0.00 55.36 54.84 1xfl s GLN 7 Cb 0.00 -0.05 -0.01 0.00 0.03 0.00 0.00 33.01 32.98 1xfl s GLN 7 CO 0.00 -0.01 -0.20 0.08 -2.54 0.00 0.00 175.29 172.62 1xfl s VAL 8 N -1.26 2.42 -0.38 3.63 1.01 -1.26 -4.67 120.40 119.89 1xfl s VAL 8 Ca -0.12 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 1xfl s VAL 8 Cb -0.09 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1xfl s VAL 8 CO -0.00 0.56 1.06 -0.63 0.00 0.00 0.00 175.10 176.09 1xfl s ILE 9 N 0.10 4.43 -0.46 2.22 1.09 0.48 -4.79 121.20 124.27 1xfl s ILE 9 Ca -0.10 1.46 -0.17 0.00 -1.10 0.00 0.00 60.65 60.74 1xfl s ILE 9 Cb -0.16 -4.46 0.04 0.00 -1.06 0.00 0.00 42.46 36.83 1xfl s ILE 9 CO 0.06 -0.66 0.49 0.00 -0.10 0.00 0.00 174.94 174.72 1xfl s ALA 10 N 3.87 3.44 -0.27 9.38 0.00 -1.26 -0.61 121.76 136.32 1xfl s ALA 10 Ca 0.45 -1.71 -0.22 0.00 0.00 0.00 0.00 51.96 50.48 1xfl s ALA 10 Cb -0.10 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1xfl s ALA 10 CO 0.21 -1.75 0.71 0.00 0.00 0.00 0.00 175.76 174.94 1xfl n HIS 12 N 5.91 0.45 -4.01 0.00 8.25 -1.26 -4.29 115.22 120.27 1xfl n HIS 12 Ca 0.02 -0.54 -0.08 0.00 -0.26 0.00 0.00 57.72 56.85 1xfl n HIS 12 Cb 0.48 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.19 0.16 0.11 1.59 -4.23 -1.26 -4.83 115.64 106.00 1xfl s THR 13 Ca 0.22 -1.30 0.16 0.00 -1.18 0.00 0.00 61.69 59.59 1xfl s THR 13 Cb 0.13 -0.88 0.07 0.00 1.34 0.00 0.00 72.50 73.15 1xfl s THR 13 CO 0.13 -0.72 1.62 0.58 -0.54 0.00 0.00 174.62 175.69 1xfl h VAL 14 N 3.86 1.03 0.05 2.29 2.07 -1.95 -2.76 116.25 120.85 1xfl h VAL 14 Ca -0.33 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 65.29 1xfl h VAL 14 Cb 1.18 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1xfl h VAL 14 CO 0.53 0.48 -0.09 -0.33 0.02 0.00 0.00 177.57 178.17 1xfl h GLU 15 N 0.00 -0.18 -0.27 1.57 4.39 -1.99 0.28 114.58 118.38 1xfl h GLU 15 Ca -0.00 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1xfl h GLU 15 Cb 1.10 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1xfl h GLU 15 CO 0.06 -0.12 -0.37 1.15 -1.16 0.00 0.00 179.01 178.57 1xfl h THR 16 N -0.19 1.29 0.20 1.13 2.02 -1.97 -0.47 112.91 114.93 1xfl h THR 16 Ca 0.02 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1xfl h THR 16 Cb 0.20 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1xfl h THR 16 CO -0.06 0.48 -0.18 -0.25 0.37 0.00 0.00 175.52 175.89 1xfl h TRP 17 N 0.50 -0.48 -0.56 3.16 2.91 -1.17 0.01 115.95 120.33 1xfl h TRP 17 Ca 0.05 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.03 1xfl h TRP 17 Cb 0.87 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.68 1xfl h TRP 17 CO 0.04 -0.28 0.20 -0.97 -1.03 0.00 0.00 178.44 176.40 1xfl h ASN 18 N -0.41 0.79 -0.30 2.65 -0.73 -0.38 -2.32 115.58 114.88 1xfl h ASN 18 Ca -0.00 -0.19 0.05 0.00 1.87 0.00 0.00 56.30 58.03 1xfl h ASN 18 Cb 0.38 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 1xfl h ASN 18 CO -0.03 0.76 0.03 -0.08 -0.37 0.00 0.00 177.43 177.74 1xfl h GLU 19 N 0.77 0.12 -0.28 6.67 4.81 -0.82 -0.88 114.58 124.96 1xfl h GLU 19 Ca 0.18 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 1xfl h GLU 19 Cb 0.23 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xfl h GLU 19 CO -0.01 0.08 -0.46 1.96 -0.73 0.00 0.00 179.01 179.85 1xfl h GLN 20 N 0.13 0.80 -0.22 1.92 1.08 -0.88 -1.89 115.11 116.05 1xfl h GLN 20 Ca 0.14 -0.49 -0.06 0.00 -1.45 0.00 0.00 58.65 56.79 1xfl h GLN 20 Cb 0.17 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1xfl h GLN 20 CO -0.21 1.12 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.62 1xfl h LEU 21 N 0.56 0.47 -0.97 1.46 3.38 -1.26 0.44 115.31 119.40 1xfl h LEU 21 Ca 0.02 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xfl h LEU 21 Cb 1.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1xfl h LEU 21 CO 0.10 0.77 0.54 -0.61 0.09 0.00 0.00 178.44 179.33 1xfl h GLN 22 N 0.17 1.25 -0.45 1.13 4.15 -1.21 0.19 115.11 120.34 1xfl h GLN 22 Ca 0.05 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1xfl h GLN 22 Cb 0.58 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1xfl h GLN 22 CO 0.03 0.89 0.28 -0.22 -1.93 0.00 0.00 178.83 177.88 1xfl h LYS 23 N 1.27 0.60 -0.20 1.69 3.64 -1.04 -0.40 116.57 122.13 1xfl h LYS 23 Ca 0.33 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.47 1xfl h LYS 23 Cb -0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1xfl h LYS 23 CO -0.06 0.42 -0.63 0.00 -2.27 0.00 0.00 179.45 176.91 1xfl h ALA 24 N 1.14 0.50 0.05 5.00 0.00 -0.35 -2.32 119.26 123.28 1xfl h ALA 24 Ca 0.16 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xfl h ALA 24 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xfl h ALA 24 CO -0.03 0.69 -0.02 -0.97 0.00 0.00 0.00 179.25 178.92 1xfl h ASN 25 N 0.53 -0.06 -0.65 0.00 -1.24 -0.48 0.51 115.58 114.19 1xfl h ASN 25 Ca -0.01 -0.31 0.02 0.00 0.71 0.00 0.00 56.30 56.71 1xfl h ASN 25 Cb 1.23 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.26 1xfl h ASN 25 CO 0.13 0.28 0.41 -0.08 -1.29 0.00 0.00 177.43 176.89 1xfl h GLU 26 N -0.40 0.80 -0.41 6.67 4.81 -1.12 -2.43 114.58 122.50 1xfl h GLU 26 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xfl h GLU 26 Cb 0.36 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xfl h GLU 26 CO 0.01 0.53 0.00 0.43 -0.73 0.00 0.00 179.01 179.25 1xfl n SER 27 N -4.67 2.68 -3.87 1.04 7.64 -0.87 -4.93 113.62 110.64 1xfl n SER 27 Ca 0.06 -1.93 -0.24 0.00 1.01 0.00 0.00 58.87 57.77 1xfl n SER 27 Cb 0.05 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.97 -3.81 -4.02 1.43 5.02 -0.59 -4.96 118.16 112.19 1xfl n LYS 28 Ca 0.18 0.48 -0.34 0.00 -2.02 0.00 0.00 58.31 56.60 1xfl n LYS 28 Cb 0.45 -4.74 -0.06 0.00 -0.02 0.00 0.00 35.03 30.66 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 -3.86 5.09 0.06 -0.18 2.01 0.17 -4.57 115.64 114.35 1xfl s THR 29 Ca 0.00 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 1xfl s THR 29 Cb -0.00 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1xfl s THR 29 CO 0.86 0.45 0.97 -0.22 -0.69 0.00 0.00 174.62 175.99 1xfl s LEU 30 N -1.49 4.44 -0.05 4.42 0.20 -1.26 -2.23 118.68 122.71 1xfl s LEU 30 Ca 0.21 1.74 0.04 0.00 0.69 0.00 0.00 54.13 56.80 1xfl s LEU 30 Cb -0.12 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 1xfl s LEU 30 CO 0.11 -0.15 -0.15 0.54 -0.29 0.00 0.00 176.35 176.41 1xfl s VAL 31 N 0.44 1.33 -0.14 1.68 0.11 -1.09 -1.77 120.40 120.95 1xfl s VAL 31 Ca 0.49 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1xfl s VAL 31 Cb -0.22 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1xfl s VAL 31 CO 0.29 0.39 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.56 1xfl s VAL 32 N 0.22 1.92 -0.09 2.04 1.01 0.10 -0.83 120.40 124.79 1xfl s VAL 32 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1xfl s VAL 32 Cb -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1xfl s VAL 32 CO 0.03 0.52 -0.18 -0.69 0.00 0.00 0.00 175.10 174.78 1xfl s VAL 33 N 0.95 2.66 -0.27 2.92 1.01 0.57 -0.53 120.40 127.71 1xfl s VAL 33 Ca -0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1xfl s VAL 33 Cb -0.15 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1xfl s VAL 33 CO -0.04 0.56 0.06 -0.62 0.00 0.00 0.00 175.10 175.06 1xfl s ASP 34 N -0.05 5.01 -0.30 3.32 -1.08 0.74 -0.08 116.67 124.23 1xfl s ASP 34 Ca -0.05 -0.45 -0.13 0.00 -0.52 0.00 0.00 52.55 51.40 1xfl s ASP 34 Cb -0.14 -1.88 -0.04 0.00 -1.46 0.00 0.00 42.92 39.40 1xfl s ASP 34 CO 0.04 -0.10 0.25 -0.36 0.52 0.00 0.00 175.17 175.52 1xfl s PHE 35 N 1.55 3.22 0.29 -5.34 0.08 0.12 0.28 117.98 118.17 1xfl s PHE 35 Ca 0.05 0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.23 1xfl s PHE 35 Cb -0.16 -2.47 -0.06 0.00 -0.57 0.00 0.00 43.02 39.77 1xfl s PHE 35 CO 0.02 -0.25 -0.03 -0.08 -0.10 0.00 0.00 175.22 174.79 1xfl s THR 36 N 1.83 1.51 0.14 0.64 -1.32 0.39 -1.33 115.64 117.50 1xfl s THR 36 Ca 0.09 -2.09 0.10 0.00 -1.21 0.00 0.00 61.69 58.58 1xfl s THR 36 Cb -0.16 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 1xfl s THR 36 CO 0.11 -0.24 -0.25 0.00 -2.21 0.00 0.00 174.62 172.04 1xfl s ALA 37 N -3.09 2.28 0.25 11.08 0.00 -1.26 -0.40 121.76 130.60 1xfl s ALA 37 Ca 0.31 -1.47 0.15 0.00 0.00 0.00 0.00 51.96 50.96 1xfl s ALA 37 Cb 0.05 -0.33 0.61 0.00 0.00 0.00 0.00 23.12 23.45 1xfl s ALA 37 CO 0.12 0.46 1.72 0.77 0.00 0.00 0.00 175.76 178.83 1xfl h SER 38 N 3.72 0.00 -0.01 0.00 0.02 -1.99 -3.23 113.55 112.06 1xfl h SER 38 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1xfl h SER 38 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1xfl h SER 38 CO 0.42 0.45 -0.05 -2.67 -1.14 0.00 0.00 176.83 173.84 1xfl n TRP 39 N -3.71 0.00 -3.78 3.45 4.27 -1.26 -4.86 117.44 111.54 1xfl n TRP 39 Ca -0.01 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.24 1xfl n TRP 39 Cb 0.52 -0.01 -0.11 0.00 -1.36 0.00 0.00 31.31 30.35 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 7.80 -1.18 0.83 0.00 0.00 -1.90 -2.96 103.07 105.66 1xfl h GLY 41 Ca -0.37 0.46 0.16 0.00 0.00 0.00 0.00 47.33 47.58 1xfl h GLY 41 CO 0.61 -0.41 0.43 -2.55 0.00 0.00 0.00 176.54 174.62 1xfl h PRO 42 N -1.06 0.07 -0.43 4.80 0.11 -1.95 0.12 132.00 133.66 1xfl h PRO 42 Ca -0.10 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1xfl h PRO 42 Cb 0.83 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1xfl h PRO 42 CO 0.13 0.05 0.23 0.00 -0.21 0.00 0.00 178.00 178.20 1xfl h ARG 44 N 0.55 0.21 0.00 0.00 2.43 -1.07 -3.27 114.38 113.24 1xfl h ARG 44 Ca 0.15 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1xfl h ARG 44 Cb 0.06 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1xfl h ARG 44 CO -0.02 1.16 0.00 0.35 -1.51 0.00 0.00 179.97 179.95 1xfl h PHE 45 N 0.06 0.00 0.00 2.20 3.57 -0.54 -1.72 116.94 120.51 1xfl h PHE 45 Ca -0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1xfl h PHE 45 Cb 1.91 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.65 1xfl h PHE 45 CO 0.05 0.00 -0.35 1.51 -2.23 0.00 0.00 178.31 177.29 1xfl n ILE 46 N -3.03 0.13 0.10 1.41 0.13 0.15 -4.10 119.36 114.16 1xfl n ILE 46 Ca 0.01 -0.09 -0.13 0.00 -1.10 0.00 0.00 62.75 61.44 1xfl n ILE 46 Cb 0.29 -0.11 -0.07 0.00 -0.84 0.00 0.00 39.64 38.91 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 2.85 -0.18 -0.27 1.51 0.00 -1.41 0.24 119.26 122.01 1xfl h ALA 47 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xfl h ALA 47 Cb 0.58 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xfl h ALA 47 CO 0.00 -0.59 0.18 -1.00 0.00 0.00 0.00 179.25 177.83 1xfl h PRO 48 N -0.19 0.28 -0.05 0.00 0.13 -1.75 0.29 132.00 130.71 1xfl h PRO 48 Ca -0.02 -0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 64.86 1xfl h PRO 48 Cb 0.15 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.22 1xfl h PRO 48 CO 0.03 0.18 -0.91 0.35 -0.23 0.00 0.00 178.00 177.42 1xfl h PHE 49 N 0.28 0.87 -0.17 1.56 3.04 -1.67 -1.47 116.94 119.38 1xfl h PHE 49 Ca 0.11 -0.44 -0.10 0.00 3.98 0.00 0.00 57.97 61.52 1xfl h PHE 49 Cb 0.08 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1xfl h PHE 49 CO -0.00 1.26 -0.32 0.35 -2.02 0.00 0.00 178.31 177.59 1xfl h PHE 50 N 0.37 0.38 -0.05 0.41 3.57 0.49 0.24 116.94 122.34 1xfl h PHE 50 Ca -0.08 -0.09 -0.13 0.00 3.53 0.00 0.00 57.97 61.20 1xfl h PHE 50 Cb 1.54 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1xfl h PHE 50 CO 0.08 0.62 -0.54 0.00 -2.23 0.00 0.00 178.31 176.24 1xfl h ALA 51 N 1.38 1.00 -0.07 2.41 0.00 -0.34 -1.65 119.26 121.99 1xfl h ALA 51 Ca 0.04 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1xfl h ALA 51 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xfl h ALA 51 CO 0.05 0.68 -0.62 0.22 0.00 0.00 0.00 179.25 179.58 1xfl h ASP 52 N 0.12 0.28 -0.78 0.00 1.82 -0.54 -0.87 116.42 116.45 1xfl h ASP 52 Ca 0.00 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.45 1xfl h ASP 52 Cb 0.99 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.88 1xfl h ASP 52 CO 0.08 0.83 0.39 0.25 -1.61 0.00 0.00 179.24 179.18 1xfl h LEU 53 N 0.18 1.01 -1.37 2.28 6.46 -0.67 -0.31 115.31 122.89 1xfl h LEU 53 Ca -0.01 -0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.57 1xfl h LEU 53 Cb 1.14 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1xfl h LEU 53 CO 0.10 0.84 -0.22 0.00 -0.62 0.00 0.00 178.44 178.55 1xfl h ALA 54 N 1.20 1.48 0.00 1.25 0.00 -0.71 0.34 119.26 122.82 1xfl h ALA 54 Ca 0.27 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1xfl h ALA 54 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xfl h ALA 54 CO -0.04 0.38 -0.41 -0.22 0.00 0.00 0.00 179.25 178.96 1xfl h LYS 55 N 0.14 0.00 0.21 0.00 3.64 -0.56 -2.55 116.57 117.44 1xfl h LYS 55 Ca 0.02 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.08 1xfl h LYS 55 Cb 0.47 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1xfl h LYS 55 CO 0.03 0.41 -1.50 -0.22 -2.27 0.00 0.00 179.45 175.90 1xfl h LYS 56 N 0.00 0.44 -4.20 1.90 3.11 0.38 -3.42 116.57 114.78 1xfl h LYS 56 Ca -0.00 -0.74 -0.69 0.00 -2.81 0.00 0.00 60.65 56.40 1xfl h LYS 56 Cb 0.84 0.28 -0.35 0.00 -1.00 0.00 0.00 32.23 32.00 1xfl h LYS 56 CO 0.05 1.36 -0.50 -0.51 -2.81 0.00 0.00 179.45 177.04 1xfl s LEU 57 N -7.52 5.21 0.08 5.20 1.43 -0.03 -4.99 118.68 118.05 1xfl s LEU 57 Ca -0.13 -2.30 -0.21 0.00 -1.03 0.00 0.00 54.13 50.45 1xfl s LEU 57 Cb 0.04 -1.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.32 1xfl s LEU 57 CO 0.88 -0.48 1.65 1.55 0.23 0.00 0.00 176.35 180.18 1xfl h PRO 58 N 7.69 0.17 -0.52 1.29 0.13 -1.81 -3.12 132.00 135.84 1xfl h PRO 58 Ca -0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1xfl h PRO 58 Cb 1.01 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xfl h PRO 58 CO 0.70 0.23 0.00 0.09 -0.23 0.00 0.00 178.00 178.79 1xfl n ASN 59 N -4.93 2.77 -4.80 1.44 4.13 -1.26 -4.32 115.26 108.29 1xfl n ASN 59 Ca -0.05 -2.07 -0.36 0.00 1.68 0.00 0.00 54.58 53.78 1xfl n ASN 59 Cb 0.09 -0.36 -0.07 0.00 -1.54 0.00 0.00 39.78 37.90 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xfl s VAL 60 N -1.44 5.40 -0.23 2.41 1.01 -1.18 -4.70 120.40 121.68 1xfl s VAL 60 Ca 0.33 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1xfl s VAL 60 Cb 0.18 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1xfl s VAL 60 CO 0.21 0.51 0.64 -0.76 0.00 0.00 0.00 175.10 175.70 1xfl s LEU 61 N -0.28 4.10 -0.11 3.92 2.01 -0.73 -4.97 118.68 122.62 1xfl s LEU 61 Ca 0.13 0.79 0.00 0.00 0.01 0.00 0.00 54.13 55.07 1xfl s LEU 61 Cb -0.12 -2.89 -0.02 0.00 0.01 0.00 0.00 46.19 43.17 1xfl s LEU 61 CO 0.03 -0.33 -0.12 -0.36 1.01 0.00 0.00 176.35 176.58 1xfl s PHE 62 N 2.23 2.82 -0.04 0.29 0.40 -1.26 0.03 117.98 122.46 1xfl s PHE 62 Ca 0.28 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 1xfl s PHE 62 Cb -0.16 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 1xfl s PHE 62 CO 0.09 -0.05 -0.18 -0.51 0.70 0.00 0.00 175.22 175.28 1xfl s LEU 63 N -0.01 1.95 -0.30 -0.37 1.02 0.31 -0.39 118.68 120.89 1xfl s LEU 63 Ca -0.03 -0.35 -0.06 0.00 0.02 0.00 0.00 54.13 53.71 1xfl s LEU 63 Cb -0.14 -0.97 0.01 0.00 0.02 0.00 0.00 46.19 45.11 1xfl s LEU 63 CO 0.04 0.18 0.07 -0.75 0.02 0.00 0.00 176.35 175.91 1xfl s LYS 64 N -0.10 3.00 -0.19 1.70 2.47 0.23 -0.19 119.74 126.66 1xfl s LYS 64 Ca -0.01 -0.92 0.01 0.00 -1.56 0.00 0.00 55.97 53.50 1xfl s LYS 64 Cb -0.10 -3.36 0.03 0.00 -1.46 0.00 0.00 37.83 32.94 1xfl s LYS 64 CO 0.01 -0.48 -0.15 0.08 0.16 0.00 0.00 175.35 174.98 1xfl s VAL 65 N 1.47 1.89 -0.18 4.02 1.01 0.14 -2.38 120.40 126.37 1xfl s VAL 65 Ca 0.02 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 1xfl s VAL 65 Cb -0.17 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1xfl s VAL 65 CO 0.02 0.35 0.94 -0.62 0.00 0.00 0.00 175.10 175.79 1xfl s ASP 66 N 1.32 7.06 0.00 3.32 -1.08 -1.26 -0.46 116.67 125.57 1xfl s ASP 66 Ca 0.01 1.31 0.18 0.00 -0.52 0.00 0.00 52.55 53.54 1xfl s ASP 66 Cb -0.15 -2.50 0.79 0.00 -1.46 0.00 0.00 42.92 39.60 1xfl s ASP 66 CO -0.10 -0.52 1.59 1.07 0.52 0.00 0.00 175.17 177.73 1xfl n THR 67 N 4.96 0.73 0.11 1.71 5.66 0.46 -2.31 114.28 125.59 1xfl n THR 67 Ca 0.08 0.18 -0.20 0.00 -3.05 0.00 0.00 64.05 61.06 1xfl n THR 67 Cb 0.48 -0.86 -0.13 0.00 -1.55 0.00 0.00 70.33 68.26 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 0.69 0.57 1.09 3.58 -1.92 -2.33 116.42 118.11 1xfl h ASP 68 Ca 0.00 -0.69 -0.03 0.00 0.42 0.00 0.00 57.03 56.73 1xfl h ASP 68 Cb 0.32 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1xfl h ASP 68 CO 0.00 1.52 -0.28 -0.33 -2.88 0.00 0.00 179.24 177.27 1xfl h GLU 69 N 0.17 -0.75 -2.30 0.28 4.39 -1.84 -3.17 114.58 111.36 1xfl h GLU 69 Ca -0.18 0.05 -0.77 0.00 0.34 0.00 0.00 59.36 58.80 1xfl h GLU 69 Cb 1.98 0.17 -0.23 0.00 -0.10 0.00 0.00 28.75 30.57 1xfl h GLU 69 CO 0.23 -0.50 1.36 1.28 -1.16 0.00 0.00 179.01 180.22 1xfl n LEU 70 N -4.12 7.51 0.10 1.33 4.32 -1.10 -4.80 117.00 120.24 1xfl n LEU 70 Ca -0.10 -5.11 -0.13 0.00 -0.02 0.00 0.00 56.01 50.66 1xfl n LEU 70 Cb 0.31 -1.21 -0.07 0.00 -1.62 0.00 0.00 43.42 40.83 1xfl n LEU 70 CO 0.23 2.00 0.81 0.50 -1.22 0.00 0.00 177.39 179.71 1xfl h LYS 71 N 4.08 -0.19 0.06 3.23 3.11 -1.39 0.18 116.57 125.65 1xfl h LYS 71 Ca 0.58 0.01 -0.24 0.00 -2.81 0.00 0.00 60.65 58.19 1xfl h LYS 71 Cb 0.30 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1xfl h LYS 71 CO 1.27 -0.13 -1.06 0.77 -2.81 0.00 0.00 179.45 177.49 1xfl h SER 72 N -0.20 0.44 -0.37 4.20 0.02 -1.87 -2.79 113.55 112.99 1xfl h SER 72 Ca -0.00 -0.40 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 1xfl h SER 72 Cb 0.18 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1xfl h SER 72 CO -0.01 1.25 -0.07 0.58 -1.14 0.00 0.00 176.83 177.43 1xfl h VAL 73 N 0.14 1.27 -0.66 2.27 2.07 -1.90 -1.51 116.25 117.94 1xfl h VAL 73 Ca -0.10 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1xfl h VAL 73 Cb 1.74 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1xfl h VAL 73 CO 0.18 0.37 0.28 0.00 0.02 0.00 0.00 177.57 178.42 1xfl h ALA 74 N 0.83 0.86 0.00 1.67 0.00 -0.68 -2.03 119.26 119.91 1xfl h ALA 74 Ca 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xfl h ALA 74 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xfl h ALA 74 CO 0.03 0.45 -0.20 0.77 0.00 0.00 0.00 179.25 180.31 1xfl h SER 75 N 0.93 0.00 0.43 0.00 0.02 -1.33 0.36 113.55 113.96 1xfl h SER 75 Ca 0.22 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1xfl h SER 75 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xfl h SER 75 CO -0.02 0.20 -0.14 -0.78 -1.14 0.00 0.00 176.83 174.95 1xfl h ASP 76 N 0.00 0.00 -0.45 3.07 3.58 -0.53 0.47 116.42 122.56 1xfl h ASP 76 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xfl h ASP 76 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1xfl h ASP 76 CO 0.03 0.14 0.00 0.79 -2.88 0.00 0.00 179.24 177.31 1xfl n TRP 77 N -3.63 0.69 -1.19 0.28 7.02 -0.34 -4.89 117.44 115.38 1xfl n TRP 77 Ca -0.02 -0.32 -0.06 0.00 -1.02 0.00 0.00 57.50 56.08 1xfl n TRP 77 Cb 0.26 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 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 0.79 -0.10 -2.61 6.99 0.00 0.15 -4.98 120.51 120.75 1xfl n ALA 78 Ca 0.15 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1xfl n ALA 78 Cb 0.43 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.17 4.71 0.00 0.00 -1.09 -0.03 -4.61 121.20 118.00 1xfl s ILE 79 Ca 0.00 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.64 1xfl s ILE 79 Cb 0.00 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1xfl s ILE 79 CO 0.00 -0.36 0.00 1.67 -1.23 0.00 0.00 174.94 175.02 1xfl n GLN 80 N 6.43 0.54 -2.82 2.79 7.27 -1.26 -3.25 117.38 127.07 1xfl n GLN 80 Ca 0.05 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.70 1xfl n GLN 80 Cb 0.48 -0.27 -0.04 0.00 2.41 0.00 0.00 30.24 32.82 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 -0.83 3.65 -0.01 1.69 0.00 -1.26 -5.03 121.76 119.96 1xfl s ALA 81 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.01 1xfl s ALA 81 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1xfl s ALA 81 CO 0.00 -0.94 -0.25 -1.64 0.00 0.00 0.00 175.76 172.93 1xfl s MET 82 N 2.89 2.07 0.31 0.00 -1.94 -1.26 -3.78 119.30 117.58 1xfl s MET 82 Ca 0.38 -0.96 -0.07 0.00 -1.71 0.00 0.00 55.69 53.33 1xfl s MET 82 Cb -0.15 -2.04 -0.06 0.00 2.01 0.00 0.00 34.83 34.59 1xfl s MET 82 CO 0.07 0.55 0.61 -1.25 -0.01 0.00 0.00 175.02 175.00 1xfl s PRO 83 N -0.75 3.69 -0.12 2.03 0.04 -1.26 -4.72 135.00 133.91 1xfl s PRO 83 Ca 0.10 0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.32 1xfl s PRO 83 Cb -0.10 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 1xfl s PRO 83 CO -0.00 0.16 -0.18 0.99 0.04 0.00 0.00 177.00 178.00 1xfl s THR 84 N -2.13 2.50 -0.25 1.26 2.01 -0.44 -0.64 115.64 117.95 1xfl s THR 84 Ca 0.46 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1xfl s THR 84 Cb -0.11 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1xfl s THR 84 CO 0.29 0.54 0.09 -0.36 -0.69 0.00 0.00 174.62 174.49 1xfl s PHE 85 N 0.49 3.13 -0.15 4.92 0.40 0.13 0.10 117.98 127.00 1xfl s PHE 85 Ca -0.12 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1xfl s PHE 85 Cb -0.17 -2.25 0.02 0.00 0.51 0.00 0.00 43.02 41.13 1xfl s PHE 85 CO 0.05 -0.27 -0.18 1.41 0.70 0.00 0.00 175.22 176.93 1xfl s MET 86 N 1.52 2.68 -0.25 0.44 1.75 0.88 -0.18 119.30 126.15 1xfl s MET 86 Ca 0.06 -0.72 -0.05 0.00 -1.25 0.00 0.00 55.69 53.73 1xfl s MET 86 Cb -0.15 -2.31 -0.00 0.00 2.84 0.00 0.00 34.83 35.21 1xfl s MET 86 CO 0.05 -0.16 0.02 -0.06 -0.65 0.00 0.00 175.02 174.23 1xfl s PHE 87 N 1.21 3.06 0.33 4.11 0.40 0.21 -0.32 117.98 126.98 1xfl s PHE 87 Ca 0.01 -0.89 0.10 0.00 -0.60 0.00 0.00 56.93 55.55 1xfl s PHE 87 Cb -0.14 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.15 1xfl s PHE 87 CO -0.08 -0.53 -0.08 -0.51 0.70 0.00 0.00 175.22 174.71 1xfl s LEU 88 N 1.50 2.78 -0.12 -0.37 1.02 -0.01 -0.98 118.68 122.50 1xfl s LEU 88 Ca 0.04 -1.12 -0.01 0.00 0.02 0.00 0.00 54.13 53.06 1xfl s LEU 88 Cb -0.16 -1.11 0.04 0.00 0.02 0.00 0.00 46.19 44.98 1xfl s LEU 88 CO 0.00 -0.17 -0.02 -0.75 0.02 0.00 0.00 176.35 175.43 1xfl s LYS 89 N -3.62 0.94 -1.83 1.70 2.20 0.22 -2.67 119.74 116.68 1xfl s LYS 89 Ca 0.33 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1xfl s LYS 89 Cb 0.01 -1.48 0.00 0.00 -1.51 0.00 0.00 37.83 34.85 1xfl s LYS 89 CO 0.17 -0.38 0.00 0.39 -0.36 0.00 0.00 175.35 175.17 1xfl n GLU 90 N 5.04 -1.50 -0.25 4.03 1.02 -0.95 -0.93 120.64 127.11 1xfl n GLU 90 Ca -0.09 1.04 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1xfl n GLU 90 Cb 0.49 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 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 -0.85 0.78 3.56 0.62 0.00 -1.25 -4.43 105.19 103.63 1xfl n GLY 91 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.65 3.52 0.08 1.61 2.36 -0.11 -5.00 119.74 121.56 1xfl s LYS 92 Ca 0.00 -0.48 -0.31 0.00 -2.55 0.00 0.00 55.97 52.64 1xfl s LYS 92 Cb 0.00 -2.91 -0.09 0.00 -1.05 0.00 0.00 37.83 33.79 1xfl s LYS 92 CO 0.00 0.37 1.66 0.42 1.55 0.00 0.00 175.35 179.35 1xfl s ILE 93 N 0.03 2.97 -0.27 5.43 1.01 -1.26 0.72 121.20 129.83 1xfl s ILE 93 Ca 0.01 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.96 1xfl s ILE 93 Cb -0.13 -3.29 -0.12 0.00 0.01 0.00 0.00 42.46 38.93 1xfl s ILE 93 CO 0.02 0.00 -0.32 0.18 0.00 0.00 0.00 174.94 174.83 1xfl n LEU 94 N 5.49 1.95 -3.49 2.97 4.77 -0.16 -4.84 117.00 123.70 1xfl n LEU 94 Ca 0.16 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 1xfl n LEU 94 Cb 0.40 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1xfl n LEU 94 CO 0.63 0.48 0.36 1.51 -1.33 0.00 0.00 177.39 179.04 1xfl s ASP 95 N -7.32 -0.53 -0.03 -1.43 1.47 -0.60 -5.04 116.67 103.19 1xfl s ASP 95 Ca -0.37 0.15 -0.01 0.00 1.18 0.00 0.00 52.55 53.50 1xfl s ASP 95 Cb 0.13 0.56 0.03 0.00 -0.34 0.00 0.00 42.92 43.30 1xfl s ASP 95 CO 0.49 -0.84 0.05 -0.75 0.68 0.00 0.00 175.17 174.80 1xfl s LYS 96 N -2.99 -0.04 -0.03 2.11 2.36 -1.26 -0.62 119.74 119.27 1xfl s LYS 96 Ca -0.02 0.26 0.03 0.00 -2.55 0.00 0.00 55.97 53.69 1xfl s LYS 96 Cb -0.00 -0.32 -0.00 0.00 -1.05 0.00 0.00 37.83 36.46 1xfl s LYS 96 CO -0.06 -0.22 -0.13 0.08 1.55 0.00 0.00 175.35 176.57 1xfl s VAL 97 N 1.41 1.12 -0.10 4.02 1.01 0.75 -5.00 120.40 123.61 1xfl s VAL 97 Ca -0.05 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1xfl s VAL 97 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1xfl s VAL 97 CO -0.03 0.33 -0.21 -0.69 0.00 0.00 0.00 175.10 174.50 1xfl s VAL 98 N 0.09 2.37 0.00 2.92 1.01 -1.26 0.19 120.40 125.73 1xfl s VAL 98 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1xfl s VAL 98 Cb -0.10 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1xfl s VAL 98 CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1xfl n GLY 99 N 3.32 1.97 3.46 4.51 0.00 0.18 -4.98 105.19 113.66 1xfl n GLY 99 Ca -0.18 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 3.40 -0.02 4.61 0.00 -1.26 -4.89 121.76 123.60 1xfl s ALA 100 Ca 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 51.96 50.39 1xfl s ALA 100 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1xfl s ALA 100 CO 0.00 -1.87 -0.16 0.15 0.00 0.00 0.00 175.76 173.88 1xfl s LYS 101 N 2.51 1.37 0.17 0.00 1.02 -1.26 -4.93 119.74 118.61 1xfl s LYS 101 Ca 0.15 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.44 1xfl s LYS 101 Cb -0.18 -1.29 0.07 0.00 -0.52 0.00 0.00 37.83 35.91 1xfl s LYS 101 CO 0.13 0.32 1.79 -0.22 -0.92 0.00 0.00 175.35 176.45 1xfl h LYS 102 N 5.86 0.79 -0.85 1.68 3.64 -1.99 -1.15 116.57 124.55 1xfl h LYS 102 Ca -0.35 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1xfl h LYS 102 Cb 1.16 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1xfl h LYS 102 CO 0.48 0.60 0.46 0.22 -2.27 0.00 0.00 179.45 178.95 1xfl h ASP 103 N 0.76 1.07 -0.53 4.20 3.58 -1.97 0.10 116.42 123.63 1xfl h ASP 103 Ca 0.20 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 1xfl h ASP 103 Cb 0.04 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1xfl h ASP 103 CO -0.03 0.86 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.07 1xfl h GLU 104 N 1.19 0.95 -0.17 0.28 4.57 -1.84 0.32 114.58 119.88 1xfl h GLU 104 Ca 0.30 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1xfl h GLU 104 Cb 0.04 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1xfl h GLU 104 CO -0.05 0.98 -0.03 1.25 -1.18 0.00 0.00 179.01 179.98 1xfl h LEU 105 N 0.82 0.32 -1.30 1.64 5.85 -0.85 -0.95 115.31 120.85 1xfl h LEU 105 Ca 0.14 -0.36 0.14 0.00 0.84 0.00 0.00 57.88 58.65 1xfl h LEU 105 Cb 0.58 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1xfl h LEU 105 CO 0.03 0.60 0.57 1.56 -0.34 0.00 0.00 178.44 180.87 1xfl h GLN 106 N 0.03 0.67 -0.40 1.25 1.08 -0.54 0.31 115.11 117.51 1xfl h GLN 106 Ca 0.04 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 1xfl h GLN 106 Cb 0.46 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1xfl h GLN 106 CO 0.02 0.44 -0.32 1.03 -0.95 0.00 0.00 178.83 179.04 1xfl h SER 107 N 0.69 0.98 0.39 1.46 0.87 0.04 -0.93 113.55 117.04 1xfl h SER 107 Ca 0.44 -0.45 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1xfl h SER 107 Cb 0.70 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1xfl h SER 107 CO -0.20 1.22 -0.51 0.74 -0.53 0.00 0.00 176.83 177.55 1xfl h THR 108 N 0.75 1.36 -0.19 2.23 2.02 0.21 -0.94 112.91 118.35 1xfl h THR 108 Ca 0.07 -1.76 -0.03 0.00 0.77 0.00 0.00 66.41 65.47 1xfl h THR 108 Cb 0.91 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1xfl h THR 108 CO 0.08 0.51 -0.01 0.40 0.37 0.00 0.00 175.52 176.88 1xfl h ILE 109 N 0.11 1.26 -0.25 3.11 2.04 -0.13 -2.09 117.51 121.55 1xfl h ILE 109 Ca 0.00 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1xfl h ILE 109 Cb 0.94 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1xfl h ILE 109 CO 0.07 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.45 1xfl h ALA 110 N 0.77 1.46 -0.87 1.87 0.00 -0.97 -0.64 119.26 120.87 1xfl h ALA 110 Ca 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1xfl h ALA 110 Cb 0.41 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1xfl h ALA 110 CO 0.01 0.38 0.55 -0.22 0.00 0.00 0.00 179.25 179.98 1xfl h LYS 111 N 0.38 1.00 0.00 0.00 3.64 -0.98 -2.08 116.57 118.53 1xfl h LYS 111 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xfl h LYS 111 Cb 0.32 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xfl h LYS 111 CO 0.01 0.66 -0.27 0.72 -2.27 0.00 0.00 179.45 178.30 1xfl n HIS 112 N -4.58 0.62 -2.17 1.91 8.25 -0.51 -4.74 115.22 114.00 1xfl n HIS 112 Ca 0.12 0.18 -0.35 0.00 -0.26 0.00 0.00 57.72 57.41 1xfl n HIS 112 Cb 0.15 -0.73 -0.04 0.00 1.12 0.00 0.00 29.99 30.49 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 -4.13 3.25 0.00 2.41 1.43 -0.36 -5.09 118.68 116.19 1xfl s LEU 113 Ca 0.09 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1xfl s LEU 113 Cb 0.14 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1xfl s LEU 113 CO 0.64 -2.34 0.00 0.00 0.23 0.00 0.00 176.35 174.88