#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 2.55 0.00 3.04 0.00 -1.26 -5.05 121.76 121.04 1xfl s ALA 2 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1xfl s ALA 2 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1xfl s ALA 2 CO 0.00 -1.10 0.00 0.45 0.00 0.00 0.00 175.76 175.11 1xfl n SER 3 N -1.71 1.31 -4.41 0.00 2.88 -1.26 -5.06 113.62 105.38 1xfl n SER 3 Ca 0.12 -0.96 -0.44 0.00 -1.33 0.00 0.00 58.87 56.26 1xfl n SER 3 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 1xfl n SER 3 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1xfl s GLU 4 N -1.85 3.23 0.19 -1.46 2.12 -1.26 -5.00 118.70 114.67 1xfl s GLU 4 Ca 0.00 -1.40 0.10 0.00 0.36 0.00 0.00 54.97 54.03 1xfl s GLU 4 Cb 0.00 -4.41 -0.04 0.00 0.26 0.00 0.00 34.13 29.93 1xfl s GLU 4 CO 0.00 -1.64 -0.15 -1.83 -0.54 0.00 0.00 175.26 171.10 1xfl s GLU 5 N 2.80 1.86 0.00 4.30 -1.05 -1.26 -4.71 118.70 120.63 1xfl s GLU 5 Ca 0.19 -1.38 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 1xfl s GLU 5 Cb -0.17 -2.03 0.00 0.00 -0.44 0.00 0.00 34.13 31.49 1xfl s GLU 5 CO 0.02 0.42 0.00 0.41 0.95 0.00 0.00 175.26 177.06 1xfl n GLY 6 N 0.07 0.68 3.69 -3.83 0.00 -0.53 -4.86 105.19 100.41 1xfl n GLY 6 Ca -0.11 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.84 4.22 -0.11 1.61 -2.07 -1.26 -4.72 119.66 116.49 1xfl s GLN 7 Ca 0.00 0.24 0.04 0.00 -1.82 0.00 0.00 55.36 53.82 1xfl s GLN 7 Cb 0.00 -3.50 0.00 0.00 -1.09 0.00 0.00 33.01 28.42 1xfl s GLN 7 CO 0.00 0.03 -0.23 0.08 -1.32 0.00 0.00 175.29 173.85 1xfl s VAL 8 N 1.07 2.11 -0.37 3.63 1.01 -1.26 -3.98 120.40 122.62 1xfl s VAL 8 Ca 0.20 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1xfl s VAL 8 Cb -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1xfl s VAL 8 CO 0.08 0.56 0.47 -0.63 0.00 0.00 0.00 175.10 175.57 1xfl s ILE 9 N 0.39 5.05 -0.47 2.22 1.09 0.10 -4.85 121.20 124.75 1xfl s ILE 9 Ca -0.17 0.12 -0.20 0.00 -1.10 0.00 0.00 60.65 59.29 1xfl s ILE 9 Cb -0.18 -3.96 0.04 0.00 -1.06 0.00 0.00 42.46 37.30 1xfl s ILE 9 CO 0.08 -0.25 0.65 0.00 -0.10 0.00 0.00 174.94 175.32 1xfl s ALA 10 N 2.28 3.34 -0.05 9.38 0.00 -1.26 -0.86 121.76 134.60 1xfl s ALA 10 Ca 0.16 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.56 1xfl s ALA 10 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1xfl s ALA 10 CO 0.13 -1.90 0.49 0.00 0.00 0.00 0.00 175.76 174.49 1xfl n HIS 12 N 2.90 0.13 -3.89 0.00 8.25 -1.26 -4.62 115.22 116.74 1xfl n HIS 12 Ca -0.09 -0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.03 1xfl n HIS 12 Cb 0.52 -0.02 -0.09 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 -0.76 0.11 0.23 1.59 -4.23 -1.26 -4.87 115.64 106.44 1xfl s THR 13 Ca 0.11 -0.88 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 1xfl s THR 13 Cb 0.06 -0.71 0.19 0.00 1.34 0.00 0.00 72.50 73.39 1xfl s THR 13 CO 0.09 -0.49 1.84 1.62 -0.54 0.00 0.00 174.62 177.14 1xfl h VAL 14 N 3.86 0.75 0.10 2.29 3.04 -1.98 -2.63 116.25 121.67 1xfl h VAL 14 Ca -0.32 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.21 1xfl h VAL 14 Cb 1.19 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 32.19 1xfl h VAL 14 CO 0.46 0.27 -0.11 -0.08 -1.01 0.00 0.00 177.57 177.10 1xfl h GLU 15 N 0.00 -0.23 -0.21 4.17 4.22 -1.98 0.30 114.58 120.84 1xfl h GLU 15 Ca -0.00 0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.32 1xfl h GLU 15 Cb 0.71 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1xfl h GLU 15 CO 0.04 -0.15 -0.42 1.15 -2.18 0.00 0.00 179.01 177.45 1xfl h THR 16 N -0.23 1.31 -0.45 0.32 2.02 -1.97 -0.30 112.91 113.60 1xfl h THR 16 Ca 0.01 -1.59 0.04 0.00 0.77 0.00 0.00 66.41 65.64 1xfl h THR 16 Cb 0.23 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1xfl h THR 16 CO -0.03 0.50 0.22 -0.25 0.37 0.00 0.00 175.52 176.32 1xfl h TRP 17 N 0.42 0.40 -0.41 3.16 2.91 -1.10 -1.14 115.95 120.20 1xfl h TRP 17 Ca 0.03 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1xfl h TRP 17 Cb 0.91 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 1xfl h TRP 17 CO 0.03 0.20 0.23 -0.97 -1.03 0.00 0.00 178.44 176.90 1xfl h ASN 18 N 0.44 0.51 -0.28 2.65 -0.73 0.03 -1.78 115.58 116.42 1xfl h ASN 18 Ca 0.20 -0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.32 1xfl h ASN 18 Cb 0.12 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 1xfl h ASN 18 CO -0.15 0.44 0.08 -0.08 -0.37 0.00 0.00 177.43 177.35 1xfl h GLU 19 N 0.53 0.18 -0.32 6.67 4.22 -0.50 0.11 114.58 125.48 1xfl h GLU 19 Ca 0.14 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.48 1xfl h GLU 19 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1xfl h GLU 19 CO -0.02 0.12 -0.15 1.96 -2.18 0.00 0.00 179.01 178.74 1xfl h GLN 20 N 0.19 0.66 -0.36 1.92 1.08 -1.13 -0.51 115.11 116.96 1xfl h GLN 20 Ca 0.12 -0.29 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 1xfl h GLN 20 Cb 0.11 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1xfl h GLN 20 CO -0.15 0.88 0.03 -0.07 -0.95 0.00 0.00 178.83 178.57 1xfl h LEU 21 N 0.42 0.59 -0.56 1.46 3.38 -1.04 0.19 115.31 119.76 1xfl h LEU 21 Ca 0.07 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1xfl h LEU 21 Cb 0.68 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1xfl h LEU 21 CO 0.05 0.73 0.31 -0.61 0.09 0.00 0.00 178.44 179.01 1xfl h GLN 22 N 0.44 0.59 -0.25 1.13 4.15 -0.72 0.34 115.11 120.78 1xfl h GLN 22 Ca 0.10 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.53 1xfl h GLN 22 Cb 0.41 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1xfl h GLN 22 CO 0.01 0.39 0.03 -0.22 -1.93 0.00 0.00 178.83 177.11 1xfl h LYS 23 N 0.61 0.11 -0.34 1.69 3.64 -0.78 0.65 116.57 122.14 1xfl h LYS 23 Ca 0.24 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 1xfl h LYS 23 Cb 0.09 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1xfl h LYS 23 CO -0.13 0.07 -0.42 0.00 -2.27 0.00 0.00 179.45 176.70 1xfl h ALA 24 N 1.20 0.60 0.40 5.00 0.00 -0.33 -1.32 119.26 124.81 1xfl h ALA 24 Ca 0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1xfl h ALA 24 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xfl h ALA 24 CO -0.18 0.68 -0.19 -0.97 0.00 0.00 0.00 179.25 178.59 1xfl h ASN 25 N 0.70 -0.46 -0.76 0.00 -1.24 -0.11 0.14 115.58 113.86 1xfl h ASN 25 Ca 0.05 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1xfl h ASN 25 Cb 1.01 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.14 1xfl h ASN 25 CO 0.10 -0.22 0.26 -0.08 -1.29 0.00 0.00 177.43 176.20 1xfl h GLU 26 N -0.68 1.16 -0.06 6.67 4.81 -0.91 -2.14 114.58 123.43 1xfl h GLU 26 Ca -0.06 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1xfl h GLU 26 Cb 0.49 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xfl h GLU 26 CO 0.09 0.97 0.00 0.43 -0.73 0.00 0.00 179.01 179.77 1xfl n SER 27 N -4.28 1.02 -3.27 1.04 7.64 -0.50 -4.89 113.62 110.38 1xfl n SER 27 Ca 0.06 -1.46 -0.24 0.00 1.01 0.00 0.00 58.87 58.25 1xfl n SER 27 Cb 0.21 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.16 -4.62 -3.64 1.43 5.02 -0.30 -4.95 118.16 110.95 1xfl n LYS 28 Ca 0.18 0.72 -0.35 0.00 -2.02 0.00 0.00 58.31 56.84 1xfl n LYS 28 Cb 0.25 -5.54 -0.05 0.00 -0.02 0.00 0.00 35.03 29.67 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 -3.11 5.16 0.10 -0.18 2.01 0.34 -4.58 115.64 115.38 1xfl s THR 29 Ca 0.39 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.46 1xfl s THR 29 Cb -0.19 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 1xfl s THR 29 CO 0.48 0.31 0.88 -0.22 -0.69 0.00 0.00 174.62 175.38 1xfl s LEU 30 N -1.88 4.50 -0.02 4.42 0.20 -1.26 -2.43 118.68 122.21 1xfl s LEU 30 Ca 0.31 1.67 0.05 0.00 0.69 0.00 0.00 54.13 56.85 1xfl s LEU 30 Cb -0.14 -3.44 -0.01 0.00 -0.43 0.00 0.00 46.19 42.17 1xfl s LEU 30 CO 0.18 -0.01 -0.16 0.54 -0.29 0.00 0.00 176.35 176.61 1xfl s VAL 31 N -0.16 1.30 -0.12 1.68 0.11 -1.09 -1.49 120.40 120.63 1xfl s VAL 31 Ca 0.43 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1xfl s VAL 31 Cb -0.22 -1.09 0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1xfl s VAL 31 CO 0.27 0.37 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.50 1xfl s VAL 32 N -0.30 2.03 -0.09 2.04 1.01 0.06 -2.43 120.40 122.71 1xfl s VAL 32 Ca 0.05 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1xfl s VAL 32 Cb -0.07 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1xfl s VAL 32 CO -0.00 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.77 1xfl s VAL 33 N 0.63 2.55 -0.33 2.92 1.01 -0.09 -1.35 120.40 125.73 1xfl s VAL 33 Ca -0.12 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1xfl s VAL 33 Cb -0.16 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1xfl s VAL 33 CO 0.03 0.56 0.12 -0.62 0.00 0.00 0.00 175.10 175.18 1xfl s ASP 34 N 0.05 5.36 -0.33 3.32 2.15 -0.27 -0.20 116.67 126.75 1xfl s ASP 34 Ca -0.08 -0.97 -0.14 0.00 0.43 0.00 0.00 52.55 51.79 1xfl s ASP 34 Cb -0.15 -1.91 -0.02 0.00 -0.30 0.00 0.00 42.92 40.54 1xfl s ASP 34 CO 0.05 -0.30 0.33 -0.36 -0.17 0.00 0.00 175.17 174.73 1xfl s PHE 35 N 1.47 3.22 0.36 -5.34 0.08 0.31 -0.52 117.98 117.55 1xfl s PHE 35 Ca 0.00 0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.03 1xfl s PHE 35 Cb -0.19 -2.60 0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1xfl s PHE 35 CO 0.04 -0.37 0.55 -0.08 -0.10 0.00 0.00 175.22 175.26 1xfl s THR 36 N 1.96 0.00 -0.06 0.64 -1.32 0.14 -0.61 115.64 116.38 1xfl s THR 36 Ca 0.11 -1.47 0.01 0.00 -1.21 0.00 0.00 61.69 59.14 1xfl s THR 36 Cb -0.16 -2.70 0.02 0.00 -1.51 0.00 0.00 72.50 68.14 1xfl s THR 36 CO 0.11 0.00 -0.08 0.00 -2.21 0.00 0.00 174.62 172.45 1xfl s ALA 37 N -2.86 0.99 0.28 11.08 0.00 -1.26 0.45 121.76 130.44 1xfl s ALA 37 Ca 0.27 -0.26 0.32 0.00 0.00 0.00 0.00 51.96 52.29 1xfl s ALA 37 Cb -0.02 -0.56 1.50 0.00 0.00 0.00 0.00 23.12 24.04 1xfl s ALA 37 CO 0.19 -0.04 2.05 0.77 0.00 0.00 0.00 175.76 178.73 1xfl h SER 38 N 7.28 0.00 0.80 0.00 0.02 -1.96 -1.47 113.55 118.22 1xfl h SER 38 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1xfl h SER 38 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1xfl h SER 38 CO 0.45 0.07 -0.16 -2.67 -1.14 0.00 0.00 176.83 173.38 1xfl n TRP 39 N -3.28 0.00 -3.18 3.45 4.27 -1.26 -4.82 117.44 112.62 1xfl n TRP 39 Ca -0.01 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1xfl n TRP 39 Cb 0.27 -0.40 -0.06 0.00 -1.36 0.00 0.00 31.31 29.75 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 8.21 -0.90 1.08 0.00 0.00 -1.87 -0.07 103.07 109.51 1xfl h GLY 41 Ca -0.32 0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.43 1xfl h GLY 41 CO 0.75 -0.33 0.42 -2.55 0.00 0.00 0.00 176.54 174.83 1xfl h PRO 42 N -0.91 0.52 -0.50 4.80 0.11 -1.96 0.33 132.00 134.39 1xfl h PRO 42 Ca -0.09 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 1xfl h PRO 42 Cb 0.66 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1xfl h PRO 42 CO 0.15 0.34 -0.03 0.00 -0.21 0.00 0.00 178.00 178.25 1xfl h ARG 44 N 0.76 0.00 0.00 0.00 1.12 0.36 -1.94 114.38 114.69 1xfl h ARG 44 Ca 0.14 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.81 1xfl h ARG 44 Cb 0.56 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.49 1xfl h ARG 44 CO 0.03 0.56 -0.96 0.35 -3.11 0.00 0.00 179.97 176.84 1xfl h PHE 45 N 0.00 0.00 0.00 2.20 3.57 -0.62 -3.32 116.94 118.77 1xfl h PHE 45 Ca -0.01 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 1xfl h PHE 45 Cb 1.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1xfl h PHE 45 CO 0.00 0.95 -1.19 0.97 -2.23 0.00 0.00 178.31 176.81 1xfl h ILE 46 N 0.00 0.64 -0.70 1.41 6.09 -0.77 -3.38 117.51 120.81 1xfl h ILE 46 Ca -0.01 -2.12 -0.04 0.00 -1.37 0.00 0.00 64.86 61.31 1xfl h ILE 46 Cb 1.73 2.16 -0.03 0.00 0.47 0.00 0.00 36.82 41.16 1xfl h ILE 46 CO 0.12 0.36 0.26 0.00 -3.07 0.00 0.00 178.15 175.83 1xfl h ALA 47 N 1.41 1.14 -1.12 0.18 0.00 -1.45 -3.26 119.26 116.17 1xfl h ALA 47 Ca -0.12 -0.19 0.33 0.00 0.00 0.00 0.00 54.91 54.93 1xfl h ALA 47 Cb 1.55 -0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1xfl h ALA 47 CO 0.05 0.61 0.70 -1.35 0.00 0.00 0.00 179.25 179.27 1xfl h PRO 48 N 1.02 0.28 -0.30 0.00 0.11 -1.74 0.15 132.00 131.51 1xfl h PRO 48 Ca 0.23 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 1xfl h PRO 48 Cb 0.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1xfl h PRO 48 CO -0.02 0.19 0.00 0.35 -0.21 0.00 0.00 178.00 178.31 1xfl h PHE 49 N 0.29 0.47 -0.23 0.65 3.57 -1.86 -1.56 116.94 118.27 1xfl h PHE 49 Ca 0.70 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 62.09 1xfl h PHE 49 Cb 1.87 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 1xfl h PHE 49 CO -0.01 0.47 -0.15 0.35 -2.23 0.00 0.00 178.31 176.74 1xfl h PHE 50 N 0.45 0.43 -0.05 0.41 3.57 -0.91 -0.40 116.94 120.44 1xfl h PHE 50 Ca 0.10 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 1xfl h PHE 50 Cb 0.29 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1xfl h PHE 50 CO 0.01 0.54 -0.52 0.00 -2.23 0.00 0.00 178.31 176.11 1xfl h ALA 51 N 1.48 1.05 -0.17 2.41 0.00 -1.23 -1.41 119.26 121.39 1xfl h ALA 51 Ca 0.07 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1xfl h ALA 51 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xfl h ALA 51 CO 0.03 0.66 -0.40 0.22 0.00 0.00 0.00 179.25 179.76 1xfl h ASP 52 N 0.10 0.65 -0.85 0.00 3.58 -0.89 -2.97 116.42 116.03 1xfl h ASP 52 Ca 0.00 -0.57 0.11 0.00 0.42 0.00 0.00 57.03 56.99 1xfl h ASP 52 Cb 0.95 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 41.73 1xfl h ASP 52 CO 0.07 1.10 0.48 -0.07 -2.88 0.00 0.00 179.24 177.94 1xfl h LEU 53 N 0.23 0.66 -1.47 2.28 3.38 -0.92 -1.09 115.31 118.39 1xfl h LEU 53 Ca -0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xfl h LEU 53 Cb 1.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1xfl h LEU 53 CO 0.09 0.35 0.39 0.00 0.09 0.00 0.00 178.44 179.36 1xfl h ALA 54 N 1.49 1.69 0.02 1.53 0.00 -1.10 -0.85 119.26 122.04 1xfl h ALA 54 Ca 0.43 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.09 1xfl h ALA 54 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xfl h ALA 54 CO -0.28 0.25 -1.02 -0.22 0.00 0.00 0.00 179.25 177.98 1xfl h LYS 55 N 0.70 0.05 -0.40 0.00 3.64 -1.14 -1.40 116.57 118.02 1xfl h LYS 55 Ca 0.24 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 1xfl h LYS 55 Cb 0.09 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1xfl h LYS 55 CO -0.06 1.02 -0.36 0.87 -2.27 0.00 0.00 179.45 178.64 1xfl h LYS 56 N 0.02 0.95 -4.08 1.90 1.57 -0.40 -3.39 116.57 113.14 1xfl h LYS 56 Ca -0.03 -0.49 -0.68 0.00 -1.87 0.00 0.00 60.65 57.58 1xfl h LYS 56 Cb 1.76 0.01 -0.36 0.00 0.08 0.00 0.00 32.23 33.72 1xfl h LYS 56 CO 0.14 1.15 -0.52 -0.51 -0.57 0.00 0.00 179.45 179.13 1xfl s LEU 57 N -8.92 5.06 0.34 2.94 1.43 -0.42 -4.94 118.68 114.18 1xfl s LEU 57 Ca -0.11 -2.45 0.17 0.00 -1.03 0.00 0.00 54.13 50.71 1xfl s LEU 57 Cb 0.11 -1.79 0.52 0.00 0.03 0.00 0.00 46.19 45.07 1xfl s LEU 57 CO 0.88 -0.42 1.66 1.55 0.23 0.00 0.00 176.35 180.25 1xfl h PRO 58 N 7.45 0.00 -0.02 1.29 0.13 -1.76 -3.14 132.00 135.95 1xfl h PRO 58 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1xfl h PRO 58 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1xfl h PRO 58 CO 0.68 0.44 -0.16 -1.71 -0.23 0.00 0.00 178.00 177.02 1xfl n ASN 59 N -3.50 1.78 -4.78 1.44 2.85 -1.26 -4.82 115.26 106.97 1xfl n ASN 59 Ca 0.00 -1.44 -0.37 0.00 -0.11 0.00 0.00 54.58 52.66 1xfl n ASN 59 Cb 0.57 0.13 -0.06 0.00 1.24 0.00 0.00 39.78 41.65 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1xfl s VAL 60 N -2.23 5.24 -0.16 3.44 1.01 -1.19 -4.65 120.40 121.86 1xfl s VAL 60 Ca 0.28 0.63 -0.20 0.00 0.00 0.00 0.00 61.98 62.69 1xfl s VAL 60 Cb 0.20 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1xfl s VAL 60 CO 0.42 0.48 0.60 -0.22 0.00 0.00 0.00 175.10 176.38 1xfl s LEU 61 N -0.22 4.19 0.00 3.92 1.98 -0.55 -4.97 118.68 123.03 1xfl s LEU 61 Ca 0.19 0.86 0.04 0.00 -2.89 0.00 0.00 54.13 52.34 1xfl s LEU 61 Cb -0.14 -2.86 -0.03 0.00 0.66 0.00 0.00 46.19 43.81 1xfl s LEU 61 CO 0.07 -0.19 -0.10 -0.36 -1.89 0.00 0.00 176.35 173.88 1xfl s PHE 62 N 1.50 2.79 -0.03 5.38 0.40 -1.26 -0.76 117.98 126.00 1xfl s PHE 62 Ca 0.29 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1xfl s PHE 62 Cb -0.16 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1xfl s PHE 62 CO 0.11 0.32 -0.10 -0.51 0.70 0.00 0.00 175.22 175.74 1xfl s LEU 63 N -1.29 1.81 -0.26 -0.37 1.43 -0.46 0.02 118.68 119.56 1xfl s LEU 63 Ca 0.15 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1xfl s LEU 63 Cb -0.11 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.53 1xfl s LEU 63 CO 0.06 0.08 0.00 -0.75 0.23 0.00 0.00 176.35 175.96 1xfl s LYS 64 N 0.16 3.03 -0.21 1.70 2.47 -0.03 -1.11 119.74 125.75 1xfl s LYS 64 Ca -0.03 -0.87 0.01 0.00 -1.56 0.00 0.00 55.97 53.52 1xfl s LYS 64 Cb -0.09 -3.15 0.03 0.00 -1.46 0.00 0.00 37.83 33.16 1xfl s LYS 64 CO 0.01 -0.38 -0.15 0.08 0.16 0.00 0.00 175.35 175.07 1xfl s VAL 65 N 1.42 2.30 -0.47 4.02 1.01 0.32 -2.69 120.40 126.31 1xfl s VAL 65 Ca 0.02 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 60.70 1xfl s VAL 65 Cb -0.16 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1xfl s VAL 65 CO -0.01 0.35 0.71 -0.62 0.00 0.00 0.00 175.10 175.52 1xfl s ASP 66 N 1.26 6.33 0.00 3.32 2.15 -1.26 -0.68 116.67 127.79 1xfl s ASP 66 Ca 0.01 -0.40 0.12 0.00 0.43 0.00 0.00 52.55 52.72 1xfl s ASP 66 Cb -0.15 -2.34 0.53 0.00 -0.30 0.00 0.00 42.92 40.66 1xfl s ASP 66 CO -0.09 -0.89 1.40 0.35 -0.17 0.00 0.00 175.17 175.77 1xfl n THR 67 N 5.92 1.14 0.06 1.71 -2.24 0.17 -0.75 114.28 120.29 1xfl n THR 67 Ca -0.01 0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.84 1xfl n THR 67 Cb 0.47 -1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 67.51 1xfl n THR 67 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1xfl h ASP 68 N 0.00 0.80 0.15 3.42 3.58 -1.91 -2.92 116.42 119.53 1xfl h ASP 68 Ca 0.00 -0.80 -0.01 0.00 0.42 0.00 0.00 57.03 56.64 1xfl h ASP 68 Cb 0.21 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1xfl h ASP 68 CO 0.00 1.51 -0.07 -0.33 -2.88 0.00 0.00 179.24 177.47 1xfl h GLU 69 N 0.19 -0.19 -2.15 0.28 5.08 -1.77 -3.36 114.58 112.66 1xfl h GLU 69 Ca -0.15 0.01 -0.43 0.00 -1.00 0.00 0.00 59.36 57.80 1xfl h GLU 69 Cb 1.72 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.90 1xfl h GLU 69 CO 0.20 -0.13 0.61 1.28 -1.00 0.00 0.00 179.01 179.97 1xfl n LEU 70 N -3.57 6.39 0.22 1.33 4.77 0.07 -4.57 117.00 121.64 1xfl n LEU 70 Ca -0.02 -3.86 0.06 0.00 -0.03 0.00 0.00 56.01 52.15 1xfl n LEU 70 Cb 0.08 -1.34 0.49 0.00 -2.33 0.00 0.00 43.42 40.32 1xfl n LEU 70 CO 0.06 1.78 0.84 0.07 -1.33 0.00 0.00 177.39 178.81 1xfl h LYS 71 N 3.33 0.00 -0.23 3.23 2.10 -1.68 -0.08 116.57 123.24 1xfl h LYS 71 Ca 0.39 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.84 1xfl h LYS 71 Cb 0.92 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.26 1xfl h LYS 71 CO 0.78 0.25 -0.64 0.77 -2.00 0.00 0.00 179.45 178.61 1xfl h SER 72 N 0.00 0.96 -0.46 7.07 0.02 -1.87 -0.18 113.55 119.08 1xfl h SER 72 Ca -0.00 -0.58 -0.05 0.00 -0.84 0.00 0.00 61.79 60.32 1xfl h SER 72 Cb 0.48 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1xfl h SER 72 CO 0.03 1.36 0.09 0.58 -1.14 0.00 0.00 176.83 177.75 1xfl h VAL 73 N 0.60 1.24 -0.12 2.27 2.07 -1.81 -0.41 116.25 120.09 1xfl h VAL 73 Ca -0.02 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1xfl h VAL 73 Cb 1.26 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1xfl h VAL 73 CO 0.14 0.31 -0.06 0.00 0.02 0.00 0.00 177.57 177.98 1xfl h ALA 74 N 0.96 0.05 -0.90 1.67 0.00 -0.92 -0.79 119.26 119.33 1xfl h ALA 74 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xfl h ALA 74 Cb 0.37 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1xfl h ALA 74 CO 0.01 -0.51 0.57 0.77 0.00 0.00 0.00 179.25 180.09 1xfl h SER 75 N -0.05 1.05 -0.53 0.00 0.02 -0.82 0.34 113.55 113.56 1xfl h SER 75 Ca 0.07 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1xfl h SER 75 Cb 0.15 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1xfl h SER 75 CO -0.15 0.79 0.15 -0.78 -1.14 0.00 0.00 176.83 175.70 1xfl h ASP 76 N 1.23 0.82 -0.39 3.07 3.58 -0.56 -1.18 116.42 122.99 1xfl h ASP 76 Ca 0.33 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1xfl h ASP 76 Cb -0.10 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.74 1xfl h ASP 76 CO -0.07 0.79 0.00 0.79 -2.88 0.00 0.00 179.24 177.87 1xfl n TRP 77 N -4.27 0.53 -2.15 0.28 7.02 -0.35 -4.90 117.44 113.60 1xfl n TRP 77 Ca 0.04 -0.26 -0.19 0.00 -1.02 0.00 0.00 57.50 56.07 1xfl n TRP 77 Cb 0.22 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.08 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 0.63 -0.48 -2.64 6.99 0.00 -0.45 -4.91 120.51 119.65 1xfl n ALA 78 Ca 0.13 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 1xfl n ALA 78 Cb 0.34 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 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 -2.88 4.12 -0.21 0.00 -1.09 0.11 -4.65 121.20 116.60 1xfl s ILE 79 Ca 0.00 -1.02 0.08 0.00 -2.23 0.00 0.00 60.65 57.48 1xfl s ILE 79 Cb 0.00 -5.01 -0.18 0.00 -1.58 0.00 0.00 42.46 35.69 1xfl s ILE 79 CO 0.00 -1.85 -0.10 1.67 -1.23 0.00 0.00 174.94 173.43 1xfl n GLN 80 N 8.33 0.75 -3.05 2.79 7.27 -1.26 -4.43 117.38 127.78 1xfl n GLN 80 Ca 0.32 0.08 -0.41 0.00 0.07 0.00 0.00 57.00 57.06 1xfl n GLN 80 Cb 0.50 -1.47 -0.06 0.00 2.41 0.00 0.00 30.24 31.62 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 -2.46 3.60 -0.13 1.69 0.00 -1.26 -5.03 121.76 118.17 1xfl s ALA 81 Ca -0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1xfl s ALA 81 Cb 0.07 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1xfl s ALA 81 CO 0.63 -0.90 -0.02 -1.64 0.00 0.00 0.00 175.76 173.82 1xfl s MET 82 N 2.63 3.42 0.29 0.00 -1.94 -1.26 -3.64 119.30 118.81 1xfl s MET 82 Ca 0.28 -0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 53.77 1xfl s MET 82 Cb -0.15 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 1xfl s MET 82 CO 0.09 0.41 0.51 -1.25 -0.01 0.00 0.00 175.02 174.77 1xfl s PRO 83 N -0.09 3.54 -0.12 2.03 0.04 -1.26 -4.49 135.00 134.65 1xfl s PRO 83 Ca 0.03 -0.23 0.03 0.00 0.04 0.00 0.00 61.00 60.86 1xfl s PRO 83 Cb -0.13 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.72 1xfl s PRO 83 CO 0.02 0.23 -0.21 0.99 0.04 0.00 0.00 177.00 178.08 1xfl s THR 84 N -2.13 1.90 -0.25 1.26 2.01 0.22 -0.63 115.64 118.02 1xfl s THR 84 Ca 0.41 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 1xfl s THR 84 Cb -0.10 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1xfl s THR 84 CO 0.32 0.52 0.11 -0.36 -0.69 0.00 0.00 174.62 174.52 1xfl s PHE 85 N 0.72 3.15 -0.19 4.92 0.40 -0.10 -0.53 117.98 126.34 1xfl s PHE 85 Ca -0.10 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1xfl s PHE 85 Cb -0.16 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.10 1xfl s PHE 85 CO 0.01 -0.22 -0.08 1.41 0.70 0.00 0.00 175.22 177.04 1xfl s MET 86 N 1.48 3.34 -0.30 0.44 1.75 0.72 0.15 119.30 126.87 1xfl s MET 86 Ca 0.06 -0.66 -0.10 0.00 -1.25 0.00 0.00 55.69 53.74 1xfl s MET 86 Cb -0.15 -2.86 -0.01 0.00 2.84 0.00 0.00 34.83 34.64 1xfl s MET 86 CO 0.06 -0.09 0.15 -0.06 -0.65 0.00 0.00 175.02 174.42 1xfl s PHE 87 N 1.17 3.17 0.14 4.11 0.40 0.60 -0.91 117.98 126.65 1xfl s PHE 87 Ca 0.02 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1xfl s PHE 87 Cb -0.14 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 1xfl s PHE 87 CO -0.02 -0.41 -0.06 -0.48 0.70 0.00 0.00 175.22 174.94 1xfl s LEU 88 N 1.63 2.43 -0.09 -0.37 2.34 -1.02 -1.60 118.68 122.01 1xfl s LEU 88 Ca 0.05 -1.05 -0.01 0.00 0.06 0.00 0.00 54.13 53.18 1xfl s LEU 88 Cb -0.17 -0.20 0.03 0.00 -0.56 0.00 0.00 46.19 45.29 1xfl s LEU 88 CO 0.07 -0.43 -0.03 -0.75 -1.06 0.00 0.00 176.35 174.15 1xfl s LYS 89 N -3.81 0.94 -1.33 1.48 2.20 0.15 -2.68 119.74 116.69 1xfl s LYS 89 Ca 0.17 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1xfl s LYS 89 Cb 0.04 -1.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 1xfl s LYS 89 CO -0.00 -0.28 0.00 0.39 -0.36 0.00 0.00 175.35 175.10 1xfl n GLU 90 N 5.04 -0.94 -0.40 4.03 1.02 -1.02 -1.26 120.64 127.11 1xfl n GLU 90 Ca -0.10 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1xfl n GLU 90 Cb 0.50 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 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 -1.31 0.70 3.62 0.62 0.00 -1.26 -4.37 105.19 103.20 1xfl n GLY 91 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 3.81 -0.04 1.61 1.02 -0.39 -5.03 119.74 120.11 1xfl s LYS 92 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 1xfl s LYS 92 Cb 0.00 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1xfl s LYS 92 CO 0.00 0.33 1.32 0.42 -0.92 0.00 0.00 175.35 176.50 1xfl s ILE 93 N 0.19 3.98 0.00 2.17 1.01 -1.26 0.32 121.20 127.61 1xfl s ILE 93 Ca 0.03 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1xfl s ILE 93 Cb -0.13 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1xfl s ILE 93 CO 0.01 -0.02 0.00 0.18 0.00 0.00 0.00 174.94 175.11 1xfl n LEU 94 N 5.52 0.02 -3.75 2.97 4.77 -0.79 -4.89 117.00 120.85 1xfl n LEU 94 Ca 0.13 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1xfl n LEU 94 Cb 0.45 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1xfl n LEU 94 CO 0.57 -0.48 0.04 1.51 -1.33 0.00 0.00 177.39 177.70 1xfl s ASP 95 N -3.69 -0.10 0.04 -1.43 -4.77 -0.63 -5.04 116.67 101.05 1xfl s ASP 95 Ca 0.00 -0.31 -0.01 0.00 -3.30 0.00 0.00 52.55 48.93 1xfl s ASP 95 Cb 0.00 0.38 -0.03 0.00 -1.09 0.00 0.00 42.92 42.18 1xfl s ASP 95 CO 0.00 -0.69 -0.02 -1.59 0.70 0.00 0.00 175.17 173.57 1xfl s LYS 96 N -3.10 0.52 -0.21 2.11 -2.85 -1.26 -0.29 119.74 114.65 1xfl s LYS 96 Ca -0.01 -0.99 -0.03 0.00 -1.00 0.00 0.00 55.97 53.94 1xfl s LYS 96 Cb 0.01 0.18 -0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1xfl s LYS 96 CO -0.07 -0.10 -0.08 0.08 0.10 0.00 0.00 175.35 175.29 1xfl s VAL 97 N -3.07 3.06 -0.28 1.79 1.01 0.12 -4.97 120.40 118.06 1xfl s VAL 97 Ca -0.01 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1xfl s VAL 97 Cb 0.02 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1xfl s VAL 97 CO -0.07 0.44 0.05 0.54 0.00 0.00 0.00 175.10 176.06 1xfl s VAL 98 N 1.43 3.77 0.00 2.92 0.11 -1.26 -0.93 120.40 126.44 1xfl s VAL 98 Ca 0.05 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1xfl s VAL 98 Cb -0.14 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1xfl s VAL 98 CO -0.05 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 1xfl n GLY 99 N 4.83 2.05 3.58 6.54 0.00 0.20 -4.85 105.19 117.55 1xfl n GLY 99 Ca -0.15 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.88 3.05 -0.22 4.61 0.00 -1.26 -4.66 121.76 120.40 1xfl s ALA 100 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1xfl s ALA 100 Cb 0.00 -3.98 0.06 0.00 0.00 0.00 0.00 23.12 19.20 1xfl s ALA 100 CO 0.00 -2.52 -0.05 0.15 0.00 0.00 0.00 175.76 173.33 1xfl s LYS 101 N 4.76 1.60 0.01 0.00 -0.14 -1.26 -5.01 119.74 119.69 1xfl s LYS 101 Ca 0.44 -0.91 -0.23 0.00 -1.36 0.00 0.00 55.97 53.91 1xfl s LYS 101 Cb -0.07 -2.50 -0.18 0.00 -1.68 0.00 0.00 37.83 33.40 1xfl s LYS 101 CO 0.27 -0.57 1.31 -0.22 -0.76 0.00 0.00 175.35 175.38 1xfl h LYS 102 N 7.98 0.16 -0.32 1.68 3.11 -1.99 -1.88 116.57 125.31 1xfl h LYS 102 Ca -0.19 -0.09 -0.10 0.00 -2.81 0.00 0.00 60.65 57.47 1xfl h LYS 102 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 1xfl h LYS 102 CO 0.41 0.60 -0.18 0.22 -2.81 0.00 0.00 179.45 177.70 1xfl h ASP 103 N -0.27 0.71 0.00 4.20 3.58 -1.99 -2.67 116.42 119.97 1xfl h ASP 103 Ca 0.01 -0.42 -0.07 0.00 0.42 0.00 0.00 57.03 56.98 1xfl h ASP 103 Cb 0.57 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1xfl h ASP 103 CO 0.02 0.97 -0.18 -0.08 -2.88 0.00 0.00 179.24 177.09 1xfl h GLU 104 N 0.44 0.33 0.32 0.28 4.57 -1.98 0.15 114.58 118.69 1xfl h GLU 104 Ca 0.07 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1xfl h GLU 104 Cb 0.71 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1xfl h GLU 104 CO 0.05 0.51 -0.15 1.25 -1.18 0.00 0.00 179.01 179.49 1xfl h LEU 105 N 0.31 -0.36 -1.05 1.64 5.85 -1.20 0.24 115.31 120.75 1xfl h LEU 105 Ca 0.06 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1xfl h LEU 105 Cb 0.50 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1xfl h LEU 105 CO 0.03 -0.25 0.55 1.56 -0.34 0.00 0.00 178.44 180.00 1xfl h GLN 106 N -0.43 1.20 -0.31 1.25 1.08 -1.13 -1.15 115.11 115.62 1xfl h GLN 106 Ca -0.04 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1xfl h GLN 106 Cb 0.33 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1xfl h GLN 106 CO 0.07 0.83 0.20 1.03 -0.95 0.00 0.00 178.83 180.02 1xfl h SER 107 N 1.23 0.36 -0.07 1.46 0.87 -0.39 -1.61 113.55 115.40 1xfl h SER 107 Ca 0.32 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1xfl h SER 107 Cb -0.08 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1xfl h SER 107 CO -0.06 0.27 0.01 0.74 -0.53 0.00 0.00 176.83 177.25 1xfl h THR 108 N 0.42 1.09 -0.27 2.23 2.02 0.32 0.74 112.91 119.46 1xfl h THR 108 Ca 0.11 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1xfl h THR 108 Cb -0.04 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1xfl h THR 108 CO -0.02 0.11 -0.08 0.40 0.37 0.00 0.00 175.52 176.29 1xfl h ILE 109 N 0.19 1.29 -0.09 3.11 1.08 -0.57 -1.66 117.51 120.86 1xfl h ILE 109 Ca 0.05 -1.12 -0.07 0.00 -0.39 0.00 0.00 64.86 63.32 1xfl h ILE 109 Cb 0.12 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1xfl h ILE 109 CO 0.00 0.35 -0.29 0.00 -0.69 0.00 0.00 178.15 177.53 1xfl h ALA 110 N 0.77 1.36 -0.35 1.87 0.00 -0.35 0.35 119.26 122.91 1xfl h ALA 110 Ca 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1xfl h ALA 110 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1xfl h ALA 110 CO 0.03 0.45 -0.07 0.87 0.00 0.00 0.00 179.25 180.53 1xfl h LYS 111 N 0.14 0.58 0.00 0.00 1.57 -0.67 -2.93 116.57 115.26 1xfl h LYS 111 Ca 0.02 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1xfl h LYS 111 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1xfl h LYS 111 CO 0.04 0.65 -1.10 0.45 -0.57 0.00 0.00 179.45 178.92 1xfl h HIS 112 N 0.54 0.00 -2.26 -1.35 3.86 -0.48 -3.46 115.15 112.00 1xfl h HIS 112 Ca 0.10 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.74 1xfl h HIS 112 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1xfl h HIS 112 CO 0.02 0.15 1.38 -1.17 0.86 0.00 0.00 177.93 179.17 1xfl s LEU 113 N -5.48 3.59 0.00 2.43 0.20 0.12 -5.09 118.68 114.44 1xfl s LEU 113 Ca -0.01 1.79 0.00 0.00 0.69 0.00 0.00 54.13 56.60 1xfl s LEU 113 Cb 0.09 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.33 1xfl s LEU 113 CO 0.79 -1.76 0.00 0.00 -0.29 0.00 0.00 176.35 175.10