#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfl n ALA 2 N 0.00 2.49 -2.82 -5.12 0.00 -1.26 -4.81 120.51 108.99 1xfl n ALA 2 Ca 0.00 -0.69 -0.36 0.00 0.00 0.00 0.00 53.44 52.39 1xfl n ALA 2 Cb 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 1xfl n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xfl s SER 3 N -1.70 6.11 0.00 0.00 0.01 -1.26 -5.04 113.70 111.82 1xfl s SER 3 Ca 0.34 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1xfl s SER 3 Cb 0.20 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.45 1xfl s SER 3 CO 0.30 0.33 0.00 1.21 0.41 0.00 0.00 173.24 175.49 1xfl n GLU 4 N 2.51 0.00 0.00 12.44 2.13 -1.26 -5.08 120.64 131.38 1xfl n GLU 4 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1xfl n GLU 4 Cb 0.54 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.17 1xfl n GLU 4 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xfl n GLU 5 N -1.40 0.00 -0.48 5.31 4.71 -1.26 -4.93 120.64 122.59 1xfl n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1xfl n GLU 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1xfl n GLU 5 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xfl n GLY 6 N 0.00 0.74 3.43 0.62 0.00 -1.26 -5.02 105.19 103.70 1xfl n GLY 6 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.64 1.39 -0.01 1.61 -2.07 -1.26 -4.50 119.66 114.18 1xfl s GLN 7 Ca 0.00 -1.36 0.06 0.00 -1.82 0.00 0.00 55.36 52.24 1xfl s GLN 7 Cb 0.00 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 1xfl s GLN 7 CO 0.00 -0.54 -0.19 0.54 -1.32 0.00 0.00 175.29 173.79 1xfl s VAL 8 N -4.06 2.72 -0.37 3.63 0.11 -1.26 -4.66 120.40 116.50 1xfl s VAL 8 Ca 0.27 -0.98 -0.18 0.00 -2.93 0.00 0.00 61.98 58.15 1xfl s VAL 8 Cb 0.02 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.81 1xfl s VAL 8 CO 0.09 0.50 0.53 -0.63 -3.33 0.00 0.00 175.10 172.25 1xfl s ILE 9 N -0.77 4.99 -0.41 7.04 1.09 -0.17 -4.82 121.20 128.14 1xfl s ILE 9 Ca 0.12 0.24 -0.22 0.00 -1.10 0.00 0.00 60.65 59.69 1xfl s ILE 9 Cb -0.10 -4.01 0.02 0.00 -1.06 0.00 0.00 42.46 37.31 1xfl s ILE 9 CO 0.02 -0.29 0.72 0.00 -0.10 0.00 0.00 174.94 175.29 1xfl s ALA 10 N 2.43 3.36 -0.24 9.38 0.00 -1.26 -0.19 121.76 135.25 1xfl s ALA 10 Ca 0.19 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1xfl s ALA 10 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1xfl s ALA 10 CO 0.14 -1.70 0.41 0.00 0.00 0.00 0.00 175.76 174.61 1xfl n HIS 12 N 4.98 0.00 -4.11 0.00 8.25 -1.26 -4.28 115.22 118.80 1xfl n HIS 12 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 1xfl n HIS 12 Cb 0.51 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.41 0.61 -0.04 1.59 -4.23 -1.26 -4.72 115.64 106.17 1xfl s THR 13 Ca 0.19 -1.45 0.24 0.00 -1.18 0.00 0.00 61.69 59.48 1xfl s THR 13 Cb 0.14 -1.08 0.25 0.00 1.34 0.00 0.00 72.50 73.15 1xfl s THR 13 CO 0.22 -0.60 1.74 1.62 -0.54 0.00 0.00 174.62 177.06 1xfl h VAL 14 N 3.83 0.40 0.03 2.29 3.04 -1.96 -2.63 116.25 121.24 1xfl h VAL 14 Ca -0.36 -1.19 0.02 0.00 -1.01 0.00 0.00 66.70 64.16 1xfl h VAL 14 Cb 1.19 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.33 1xfl h VAL 14 CO 0.51 0.19 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.81 1xfl h GLU 15 N 0.00 -0.21 -0.37 4.17 3.07 -1.99 0.12 114.58 119.37 1xfl h GLU 15 Ca -0.00 0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.71 1xfl h GLU 15 Cb 0.87 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1xfl h GLU 15 CO 0.02 -0.14 -0.41 1.15 -1.40 0.00 0.00 179.01 178.24 1xfl h THR 16 N -0.21 1.27 -0.05 1.13 2.02 -1.97 -1.37 112.91 113.71 1xfl h THR 16 Ca 0.03 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 65.67 1xfl h THR 16 Cb 0.25 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 1xfl h THR 16 CO -0.10 0.53 -0.23 -0.25 0.37 0.00 0.00 175.52 175.84 1xfl h TRP 17 N 0.76 -0.61 -0.52 3.16 2.91 -1.23 -0.11 115.95 120.30 1xfl h TRP 17 Ca 0.05 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.03 1xfl h TRP 17 Cb 1.01 0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.92 1xfl h TRP 17 CO 0.07 -0.32 0.04 -0.97 -1.03 0.00 0.00 178.44 176.23 1xfl h ASN 18 N -0.33 0.86 -0.32 2.65 -1.24 -0.73 -2.63 115.58 113.84 1xfl h ASN 18 Ca 0.08 -0.29 0.04 0.00 0.71 0.00 0.00 56.30 56.84 1xfl h ASN 18 Cb 0.44 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 1xfl h ASN 18 CO -0.25 0.93 0.10 -0.08 -1.29 0.00 0.00 177.43 176.84 1xfl h GLU 19 N 0.76 0.22 -0.46 6.67 4.81 -0.86 0.12 114.58 125.84 1xfl h GLU 19 Ca 0.15 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1xfl h GLU 19 Cb 0.47 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1xfl h GLU 19 CO 0.02 0.14 0.01 1.96 -0.73 0.00 0.00 179.01 180.42 1xfl h GLN 20 N 0.23 0.81 -0.38 1.92 1.08 -0.96 0.47 115.11 118.28 1xfl h GLN 20 Ca 0.15 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1xfl h GLN 20 Cb 0.13 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1xfl h GLN 20 CO -0.17 0.85 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.49 1xfl h LEU 21 N 0.66 0.68 -0.76 1.46 3.38 -1.20 0.25 115.31 119.77 1xfl h LEU 21 Ca 0.13 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xfl h LEU 21 Cb 0.48 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1xfl h LEU 21 CO 0.02 0.83 0.46 -0.61 0.09 0.00 0.00 178.44 179.23 1xfl h GLN 22 N 0.51 1.04 -0.53 1.13 4.15 -0.87 0.10 115.11 120.63 1xfl h GLN 22 Ca 0.11 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1xfl h GLN 22 Cb 0.49 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1xfl h GLN 22 CO 0.02 0.73 0.14 -0.22 -1.93 0.00 0.00 178.83 177.57 1xfl h LYS 23 N 1.04 0.84 -0.50 1.69 3.64 -0.52 0.42 116.57 123.18 1xfl h LYS 23 Ca 0.27 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1xfl h LYS 23 Cb -0.04 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1xfl h LYS 23 CO -0.05 0.79 -0.08 0.00 -2.27 0.00 0.00 179.45 177.84 1xfl h ALA 24 N 1.01 0.90 0.30 5.00 0.00 -0.08 -0.38 119.26 126.01 1xfl h ALA 24 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xfl h ALA 24 Cb 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xfl h ALA 24 CO 0.00 0.64 -0.14 -0.97 0.00 0.00 0.00 179.25 178.77 1xfl h ASN 25 N 0.82 -0.34 -0.69 0.00 -1.24 -0.61 0.29 115.58 113.82 1xfl h ASN 25 Ca 0.14 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1xfl h ASN 25 Cb 0.60 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 1xfl h ASN 25 CO 0.04 0.01 0.41 -0.08 -1.29 0.00 0.00 177.43 176.52 1xfl h GLU 26 N -0.74 0.95 -0.02 6.67 4.81 -0.87 -1.78 114.58 123.60 1xfl h GLU 26 Ca -0.04 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xfl h GLU 26 Cb 0.49 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1xfl h GLU 26 CO 0.07 0.68 -0.06 0.43 -0.73 0.00 0.00 179.01 179.40 1xfl n SER 27 N -4.39 1.97 -3.32 1.04 7.64 -0.16 -4.93 113.62 111.48 1xfl n SER 27 Ca 0.07 -1.60 -0.24 0.00 1.01 0.00 0.00 58.87 58.11 1xfl n SER 27 Cb 0.08 0.04 0.04 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.46 -5.42 -3.03 1.43 5.02 -0.30 -4.95 118.16 111.36 1xfl n LYS 28 Ca 0.16 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.87 1xfl n LYS 28 Cb 0.44 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.72 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 -3.19 4.49 -0.13 -0.18 2.01 0.86 -4.55 115.64 114.96 1xfl s THR 29 Ca 0.43 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.54 1xfl s THR 29 Cb -0.20 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1xfl s THR 29 CO 0.53 0.19 1.00 -0.22 -0.69 0.00 0.00 174.62 175.43 1xfl s LEU 30 N -2.00 4.22 0.01 4.42 2.96 -1.26 -2.31 118.68 124.73 1xfl s LEU 30 Ca 0.45 1.49 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 1xfl s LEU 30 Cb -0.17 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1xfl s LEU 30 CO 0.22 -0.47 -0.17 0.54 -1.32 0.00 0.00 176.35 175.15 1xfl s VAL 31 N 2.17 1.32 -0.11 1.68 0.11 -1.16 -1.08 120.40 123.33 1xfl s VAL 31 Ca 0.47 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1xfl s VAL 31 Cb -0.18 -1.13 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 1xfl s VAL 31 CO 0.16 0.23 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.33 1xfl s VAL 32 N -0.60 1.41 -0.15 2.04 1.01 0.11 -2.45 120.40 121.77 1xfl s VAL 32 Ca 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1xfl s VAL 32 Cb -0.07 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1xfl s VAL 32 CO 0.00 0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 174.77 1xfl s VAL 33 N 1.04 3.58 -0.29 2.92 1.01 0.03 -1.47 120.40 127.22 1xfl s VAL 33 Ca -0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1xfl s VAL 33 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1xfl s VAL 33 CO -0.02 0.50 0.12 -0.62 0.00 0.00 0.00 175.10 175.08 1xfl s ASP 34 N 0.44 5.39 -0.30 3.32 -1.08 -0.20 -0.38 116.67 123.86 1xfl s ASP 34 Ca -0.06 -0.42 -0.09 0.00 -0.52 0.00 0.00 52.55 51.46 1xfl s ASP 34 Cb -0.15 -1.97 -0.01 0.00 -1.46 0.00 0.00 42.92 39.34 1xfl s ASP 34 CO 0.04 -0.14 0.14 -0.36 0.52 0.00 0.00 175.17 175.37 1xfl s PHE 35 N 1.61 3.17 0.03 -5.34 0.08 0.52 0.15 117.98 118.20 1xfl s PHE 35 Ca 0.05 -0.58 -0.09 0.00 0.12 0.00 0.00 56.93 56.43 1xfl s PHE 35 Cb -0.16 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1xfl s PHE 35 CO 0.05 -0.45 0.18 0.99 -0.10 0.00 0.00 175.22 175.89 1xfl s THR 36 N 1.61 0.11 -0.16 0.64 2.01 0.59 -0.21 115.64 120.22 1xfl s THR 36 Ca 0.05 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1xfl s THR 36 Cb -0.17 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1xfl s THR 36 CO 0.06 -0.48 -0.06 0.00 -0.69 0.00 0.00 174.62 173.45 1xfl s ALA 37 N -2.35 2.86 0.05 7.40 0.00 -1.26 -0.63 121.76 127.83 1xfl s ALA 37 Ca -0.07 -0.91 0.31 0.00 0.00 0.00 0.00 51.96 51.30 1xfl s ALA 37 Cb -0.02 -1.50 1.53 0.00 0.00 0.00 0.00 23.12 23.13 1xfl s ALA 37 CO -0.03 0.10 1.94 0.77 0.00 0.00 0.00 175.76 178.54 1xfl h SER 38 N 6.98 0.00 0.48 0.00 0.02 -1.96 -2.85 113.55 116.22 1xfl h SER 38 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1xfl h SER 38 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1xfl h SER 38 CO 0.60 0.00 -0.32 -2.67 -1.14 0.00 0.00 176.83 173.30 1xfl n TRP 39 N -2.67 0.00 -3.75 3.45 4.27 -1.26 -4.74 117.44 112.74 1xfl n TRP 39 Ca -0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.24 1xfl n TRP 39 Cb 0.15 -0.24 -0.07 0.00 -1.36 0.00 0.00 31.31 29.79 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 5.56 -1.29 1.65 0.00 0.00 -1.89 0.39 103.07 107.48 1xfl h GLY 41 Ca -0.50 0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1xfl h GLY 41 CO 0.65 -0.39 0.14 -0.56 0.00 0.00 0.00 176.54 176.38 1xfl h PRO 42 N -1.05 0.06 -0.02 4.80 0.13 -1.97 -0.15 132.00 133.80 1xfl h PRO 42 Ca -0.07 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1xfl h PRO 42 Cb 0.90 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1xfl h PRO 42 CO -0.03 0.04 -0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1xfl h ARG 44 N -0.34 0.16 -0.01 0.00 2.43 -0.12 -1.51 114.38 115.00 1xfl h ARG 44 Ca 0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 1xfl h ARG 44 Cb 0.39 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1xfl h ARG 44 CO 0.00 0.37 -0.82 0.35 -1.51 0.00 0.00 179.97 178.36 1xfl h PHE 45 N 0.15 0.30 0.00 2.20 3.57 -0.87 -3.25 116.94 119.04 1xfl h PHE 45 Ca 0.03 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1xfl h PHE 45 Cb 0.45 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1xfl h PHE 45 CO 0.00 0.93 -0.67 0.97 -2.23 0.00 0.00 178.31 177.31 1xfl h ILE 46 N 0.12 0.00 -0.01 1.41 6.09 -0.57 -3.37 117.51 121.18 1xfl h ILE 46 Ca -0.04 -0.92 0.03 0.00 -1.37 0.00 0.00 64.86 62.56 1xfl h ILE 46 Cb 1.42 1.57 -0.04 0.00 0.47 0.00 0.00 36.82 40.24 1xfl h ILE 46 CO 0.13 0.00 -0.18 0.00 -3.07 0.00 0.00 178.15 175.02 1xfl h ALA 47 N 2.08 -0.22 0.00 0.18 0.00 -1.32 0.29 119.26 120.27 1xfl h ALA 47 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xfl h ALA 47 Cb 0.96 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xfl h ALA 47 CO 0.00 -0.67 -0.11 -1.35 0.00 0.00 0.00 179.25 177.12 1xfl h PRO 48 N -0.29 0.00 -0.09 0.00 0.11 -1.75 -1.06 132.00 128.92 1xfl h PRO 48 Ca 0.06 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.98 1xfl h PRO 48 Cb 0.37 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1xfl h PRO 48 CO -0.18 0.11 -0.70 0.35 -0.21 0.00 0.00 178.00 177.36 1xfl h PHE 49 N 0.00 0.88 -0.25 0.65 3.57 -1.58 -2.29 116.94 117.92 1xfl h PHE 49 Ca -0.00 -0.42 -0.07 0.00 3.53 0.00 0.00 57.97 61.01 1xfl h PHE 49 Cb 0.22 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1xfl h PHE 49 CO 0.00 1.23 -0.15 0.35 -2.23 0.00 0.00 178.31 177.51 1xfl h PHE 50 N 0.29 0.45 -0.19 0.41 3.57 -0.44 -0.97 116.94 120.06 1xfl h PHE 50 Ca -0.06 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1xfl h PHE 50 Cb 1.35 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1xfl h PHE 50 CO 0.11 0.56 -0.08 0.00 -2.23 0.00 0.00 178.31 176.66 1xfl h ALA 51 N 1.46 1.51 -0.16 2.41 0.00 -1.11 0.29 119.26 123.66 1xfl h ALA 51 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1xfl h ALA 51 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xfl h ALA 51 CO 0.03 0.35 -0.22 0.22 0.00 0.00 0.00 179.25 179.63 1xfl h ASP 52 N 0.28 0.47 -0.99 0.00 3.58 -0.66 -2.61 116.42 116.50 1xfl h ASP 52 Ca 0.06 -0.51 0.11 0.00 0.42 0.00 0.00 57.03 57.11 1xfl h ASP 52 Cb 0.33 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.17 1xfl h ASP 52 CO 0.02 0.89 0.63 -0.07 -2.88 0.00 0.00 179.24 177.82 1xfl h LEU 53 N 0.06 0.91 -1.10 2.28 3.38 -0.81 0.35 115.31 120.39 1xfl h LEU 53 Ca 0.02 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1xfl h LEU 53 Cb 0.78 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1xfl h LEU 53 CO 0.05 0.50 0.15 0.00 0.09 0.00 0.00 178.44 179.23 1xfl h ALA 54 N 1.54 1.28 0.00 1.53 0.00 -0.75 -1.53 119.26 121.33 1xfl h ALA 54 Ca 0.48 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 1xfl h ALA 54 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xfl h ALA 54 CO -0.24 0.51 -0.82 -0.22 0.00 0.00 0.00 179.25 178.48 1xfl h LYS 55 N 0.77 0.00 -0.57 0.00 3.11 -0.83 -3.30 116.57 115.75 1xfl h LYS 55 Ca 0.17 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.92 1xfl h LYS 55 Cb 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1xfl h LYS 55 CO -0.01 0.82 0.00 -0.22 -2.81 0.00 0.00 179.45 177.24 1xfl h LYS 56 N 0.00 1.01 -4.27 1.90 3.11 0.41 -3.38 116.57 115.35 1xfl h LYS 56 Ca -0.01 -0.32 -0.71 0.00 -2.81 0.00 0.00 60.65 56.80 1xfl h LYS 56 Cb 1.60 -0.09 -0.33 0.00 -1.00 0.00 0.00 32.23 32.41 1xfl h LYS 56 CO 0.11 1.00 -0.45 -0.51 -2.81 0.00 0.00 179.45 176.79 1xfl s LEU 57 N -9.36 5.44 0.37 5.20 1.43 -0.65 -4.95 118.68 116.17 1xfl s LEU 57 Ca -0.12 -2.14 0.19 0.00 -1.03 0.00 0.00 54.13 51.04 1xfl s LEU 57 Cb 0.13 -1.90 0.62 0.00 0.03 0.00 0.00 46.19 45.07 1xfl s LEU 57 CO 0.85 -0.57 1.70 1.55 0.23 0.00 0.00 176.35 180.11 1xfl h PRO 58 N 8.02 0.00 -0.31 1.29 0.13 -1.77 -3.09 132.00 136.28 1xfl h PRO 58 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1xfl h PRO 58 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xfl h PRO 58 CO 0.76 0.36 0.00 -1.71 -0.23 0.00 0.00 178.00 177.17 1xfl n ASN 59 N -3.42 2.62 -4.47 1.44 4.05 -1.26 -4.81 115.26 109.40 1xfl n ASN 59 Ca 0.00 -1.88 -0.33 0.00 0.45 0.00 0.00 54.58 52.82 1xfl n ASN 59 Cb 0.53 -0.20 -0.13 0.00 1.23 0.00 0.00 39.78 41.22 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xfl s VAL 60 N -1.60 3.33 -0.26 3.44 1.01 -1.17 -4.41 120.40 120.73 1xfl s VAL 60 Ca 0.35 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1xfl s VAL 60 Cb 0.20 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1xfl s VAL 60 CO 0.28 0.56 0.25 -0.22 0.00 0.00 0.00 175.10 175.97 1xfl s LEU 61 N -0.24 4.06 0.01 3.92 0.20 -0.24 -4.92 118.68 121.46 1xfl s LEU 61 Ca 0.02 0.14 0.04 0.00 0.69 0.00 0.00 54.13 55.02 1xfl s LEU 61 Cb -0.13 -2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 43.37 1xfl s LEU 61 CO 0.03 -0.06 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.57 1xfl s PHE 62 N 1.65 2.80 0.01 5.38 0.40 -1.26 -0.71 117.98 126.25 1xfl s PHE 62 Ca 0.10 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1xfl s PHE 62 Cb -0.15 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 1xfl s PHE 62 CO 0.09 0.33 -0.13 -0.51 0.70 0.00 0.00 175.22 175.70 1xfl s LEU 63 N -1.37 2.09 -0.31 -0.37 1.02 -0.54 -1.00 118.68 118.20 1xfl s LEU 63 Ca 0.16 -0.34 -0.09 0.00 0.02 0.00 0.00 54.13 53.88 1xfl s LEU 63 Cb -0.11 -0.64 -0.00 0.00 0.02 0.00 0.00 46.19 45.46 1xfl s LEU 63 CO 0.06 0.10 0.14 -0.54 0.02 0.00 0.00 176.35 176.14 1xfl s LYS 64 N -0.68 3.29 -0.24 1.70 -0.14 0.73 -1.03 119.74 123.37 1xfl s LYS 64 Ca 0.03 -0.75 -0.03 0.00 -1.36 0.00 0.00 55.97 53.87 1xfl s LYS 64 Cb -0.06 -3.54 0.01 0.00 -1.68 0.00 0.00 37.83 32.55 1xfl s LYS 64 CO 0.00 -0.43 -0.05 0.08 -0.76 0.00 0.00 175.35 174.19 1xfl s VAL 65 N 1.60 3.11 -0.11 3.17 1.01 0.12 -1.10 120.40 128.20 1xfl s VAL 65 Ca 0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1xfl s VAL 65 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1xfl s VAL 65 CO 0.06 0.30 0.59 -0.62 0.00 0.00 0.00 175.10 175.43 1xfl s ASP 66 N 1.40 6.82 0.38 3.32 -1.08 -1.25 -0.30 116.67 125.96 1xfl s ASP 66 Ca 0.03 0.98 0.28 0.00 -0.52 0.00 0.00 52.55 53.31 1xfl s ASP 66 Cb -0.15 -2.35 1.01 0.00 -1.46 0.00 0.00 42.92 39.97 1xfl s ASP 66 CO -0.04 -0.08 1.81 0.71 0.52 0.00 0.00 175.17 178.08 1xfl h THR 67 N 4.79 0.00 0.08 1.71 1.35 -1.11 0.29 112.91 120.03 1xfl h THR 67 Ca -0.40 -0.47 -0.17 0.00 -0.55 0.00 0.00 66.41 64.82 1xfl h THR 67 Cb 1.18 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1xfl h THR 67 CO 0.76 0.00 -0.84 -0.78 -0.25 0.00 0.00 175.52 174.41 1xfl h ASP 68 N 0.00 0.28 0.56 5.36 3.58 -1.93 -2.86 116.42 121.41 1xfl h ASP 68 Ca 0.00 -0.89 -0.02 0.00 0.42 0.00 0.00 57.03 56.55 1xfl h ASP 68 Cb 0.56 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1xfl h ASP 68 CO 0.00 1.37 -0.42 -0.33 -2.88 0.00 0.00 179.24 176.99 1xfl h GLU 69 N -0.57 -0.92 -2.64 0.28 4.39 -1.89 -3.15 114.58 110.08 1xfl h GLU 69 Ca -0.18 0.06 -0.74 0.00 0.34 0.00 0.00 59.36 58.84 1xfl h GLU 69 Cb 1.49 0.21 -0.32 0.00 -0.10 0.00 0.00 28.75 30.02 1xfl h GLU 69 CO 0.05 -0.61 0.36 1.28 -1.16 0.00 0.00 179.01 178.93 1xfl n LEU 70 N -5.53 5.67 0.10 1.33 4.77 0.10 -4.79 117.00 118.65 1xfl n LEU 70 Ca -0.12 -5.31 -0.01 0.00 -0.03 0.00 0.00 56.01 50.53 1xfl n LEU 70 Cb 0.43 -1.07 0.25 0.00 -2.33 0.00 0.00 43.42 40.70 1xfl n LEU 70 CO 0.31 1.85 0.67 0.07 -1.33 0.00 0.00 177.39 178.96 1xfl h LYS 71 N 4.91 0.22 -0.20 3.23 2.10 -1.46 -1.35 116.57 124.03 1xfl h LYS 71 Ca 0.22 -0.10 -0.09 0.00 -2.00 0.00 0.00 60.65 58.68 1xfl h LYS 71 Cb 0.60 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1xfl h LYS 71 CO 1.17 0.57 -0.24 0.66 -2.00 0.00 0.00 179.45 179.61 1xfl h SER 72 N 0.19 0.55 -0.44 7.07 4.64 -1.86 -1.09 113.55 122.61 1xfl h SER 72 Ca 0.02 -0.50 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1xfl h SER 72 Cb 0.76 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1xfl h SER 72 CO 0.06 0.94 0.17 0.58 -0.87 0.00 0.00 176.83 177.71 1xfl h VAL 73 N 0.17 1.20 -0.70 0.95 2.07 -1.92 0.20 116.25 118.23 1xfl h VAL 73 Ca 0.03 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1xfl h VAL 73 Cb 0.80 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1xfl h VAL 73 CO 0.06 0.23 0.35 0.00 0.02 0.00 0.00 177.57 178.23 1xfl h ALA 74 N 1.02 1.30 -0.01 1.67 0.00 -1.20 -0.75 119.26 121.29 1xfl h ALA 74 Ca 0.15 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1xfl h ALA 74 Cb 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xfl h ALA 74 CO -0.01 0.55 -0.94 1.03 0.00 0.00 0.00 179.25 179.88 1xfl h SER 75 N 0.98 0.60 -0.35 0.00 0.87 -0.79 0.42 113.55 115.28 1xfl h SER 75 Ca 0.24 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 60.24 1xfl h SER 75 Cb 0.08 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1xfl h SER 75 CO -0.03 1.27 -0.11 -0.78 -0.53 0.00 0.00 176.83 176.64 1xfl h ASP 76 N 0.27 0.78 -0.03 6.23 3.58 -0.02 -2.04 116.42 125.19 1xfl h ASP 76 Ca -0.08 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1xfl h ASP 76 Cb 1.57 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1xfl h ASP 76 CO 0.17 0.91 0.00 0.79 -2.88 0.00 0.00 179.24 178.23 1xfl n TRP 77 N -4.16 0.03 -3.16 0.28 7.02 -0.34 -4.97 117.44 112.14 1xfl n TRP 77 Ca 0.01 -0.01 -0.05 0.00 -1.02 0.00 0.00 57.50 56.43 1xfl n TRP 77 Cb 0.37 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.28 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 0.16 -2.52 -3.09 6.99 0.00 -0.77 -4.95 120.51 116.34 1xfl n ALA 78 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.18 1xfl n ALA 78 Cb 0.34 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 1xfl n ALA 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xfl s ILE 79 N -3.09 4.94 -0.06 0.00 -1.09 0.11 -4.84 121.20 117.16 1xfl s ILE 79 Ca 0.11 -1.46 -0.09 0.00 -2.23 0.00 0.00 60.65 56.98 1xfl s ILE 79 Cb -0.02 -4.58 -0.30 0.00 -1.58 0.00 0.00 42.46 35.98 1xfl s ILE 79 CO 0.76 -1.24 0.62 -0.61 -1.23 0.00 0.00 174.94 173.24 1xfl h GLN 80 N 8.80 0.36 -5.00 2.79 4.15 -1.92 -3.46 115.11 120.83 1xfl h GLN 80 Ca -0.07 -0.61 -0.63 0.00 0.77 0.00 0.00 58.65 58.11 1xfl h GLN 80 Cb 1.06 0.23 -0.34 0.00 0.21 0.00 0.00 27.48 28.63 1xfl h GLN 80 CO 1.03 1.28 -0.85 0.00 -1.93 0.00 0.00 178.83 178.36 1xfl s ALA 81 N -2.58 1.95 0.04 3.38 0.00 -1.26 -5.12 121.76 118.17 1xfl s ALA 81 Ca -0.17 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1xfl s ALA 81 Cb 0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1xfl s ALA 81 CO 0.84 0.01 0.01 -1.64 0.00 0.00 0.00 175.76 174.98 1xfl s MET 82 N 0.80 2.74 0.45 0.00 -1.94 -1.26 -3.90 119.30 116.20 1xfl s MET 82 Ca -0.09 -0.68 -0.12 0.00 -1.71 0.00 0.00 55.69 53.09 1xfl s MET 82 Cb -0.16 -2.65 -0.06 0.00 2.01 0.00 0.00 34.83 33.97 1xfl s MET 82 CO 0.00 0.59 0.84 -2.14 -0.01 0.00 0.00 175.02 174.31 1xfl s PRO 83 N -1.89 3.79 -0.16 2.03 0.02 -1.26 -4.53 135.00 133.00 1xfl s PRO 83 Ca 0.23 0.59 -0.00 0.00 0.02 0.00 0.00 61.00 61.84 1xfl s PRO 83 Cb -0.12 -2.30 -0.00 0.00 0.02 0.00 0.00 34.50 32.10 1xfl s PRO 83 CO 0.14 -0.14 -0.13 0.99 -0.33 0.00 0.00 177.00 177.53 1xfl s THR 84 N -2.52 2.83 -0.23 0.99 2.01 0.71 0.15 115.64 119.57 1xfl s THR 84 Ca 0.53 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 1xfl s THR 84 Cb -0.10 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1xfl s THR 84 CO 0.34 0.50 0.06 -0.36 -0.69 0.00 0.00 174.62 174.47 1xfl s PHE 85 N 0.85 3.09 -0.19 4.92 0.40 0.73 -0.35 117.98 127.42 1xfl s PHE 85 Ca -0.04 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1xfl s PHE 85 Cb -0.15 -2.20 -0.00 0.00 0.51 0.00 0.00 43.02 41.18 1xfl s PHE 85 CO -0.00 -0.30 -0.11 1.41 0.70 0.00 0.00 175.22 176.92 1xfl s MET 86 N 1.40 3.26 -0.27 0.44 1.75 0.49 -0.20 119.30 126.18 1xfl s MET 86 Ca 0.05 -0.70 -0.07 0.00 -1.25 0.00 0.00 55.69 53.72 1xfl s MET 86 Cb -0.15 -2.80 -0.01 0.00 2.84 0.00 0.00 34.83 34.71 1xfl s MET 86 CO 0.03 -0.12 0.07 -0.06 -0.65 0.00 0.00 175.02 174.29 1xfl s PHE 87 N 1.19 3.10 0.19 4.11 0.40 0.50 -0.79 117.98 126.67 1xfl s PHE 87 Ca 0.02 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1xfl s PHE 87 Cb -0.14 -2.24 -0.05 0.00 0.51 0.00 0.00 43.02 41.10 1xfl s PHE 87 CO -0.04 -0.47 0.00 -0.48 0.70 0.00 0.00 175.22 174.93 1xfl s LEU 88 N 1.56 2.12 -0.13 -0.37 2.34 -1.02 -1.40 118.68 121.77 1xfl s LEU 88 Ca 0.05 -1.19 -0.01 0.00 0.06 0.00 0.00 54.13 53.04 1xfl s LEU 88 Cb -0.16 -0.10 0.03 0.00 -0.56 0.00 0.00 46.19 45.40 1xfl s LEU 88 CO 0.03 -0.56 -0.05 -0.75 -1.06 0.00 0.00 176.35 173.96 1xfl s LYS 89 N -3.91 1.26 -2.02 1.48 2.20 0.18 -3.01 119.74 115.93 1xfl s LYS 89 Ca 0.25 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1xfl s LYS 89 Cb 0.06 -1.66 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 1xfl s LYS 89 CO 0.05 -0.36 0.00 0.39 -0.36 0.00 0.00 175.35 175.07 1xfl n GLU 90 N 4.96 -1.37 -0.31 4.03 1.02 -0.98 -0.17 120.64 127.83 1xfl n GLU 90 Ca -0.11 1.16 0.00 0.00 -0.02 0.00 0.00 57.16 58.19 1xfl n GLU 90 Cb 0.49 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 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 -0.63 0.68 3.75 0.62 0.00 -1.26 -4.39 105.19 103.96 1xfl n GLY 91 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.68 4.15 -0.01 1.61 3.01 0.75 -5.05 119.74 123.53 1xfl s LYS 92 Ca 0.00 0.01 -0.30 0.00 -1.01 0.00 0.00 55.97 54.67 1xfl s LYS 92 Cb 0.00 -3.39 -0.05 0.00 -1.01 0.00 0.00 37.83 33.38 1xfl s LYS 92 CO 0.00 0.33 1.33 0.42 0.51 0.00 0.00 175.35 177.93 1xfl s ILE 93 N 0.23 3.89 -0.10 2.17 1.01 -1.26 0.51 121.20 127.65 1xfl s ILE 93 Ca 0.14 1.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.94 1xfl s ILE 93 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1xfl s ILE 93 CO 0.03 0.00 -0.23 0.18 0.00 0.00 0.00 174.94 174.92 1xfl n LEU 94 N 5.22 1.49 -3.82 2.97 4.77 -0.62 -4.89 117.00 122.13 1xfl n LEU 94 Ca 0.12 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1xfl n LEU 94 Cb 0.45 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1xfl n LEU 94 CO 0.57 -0.40 -0.06 1.51 -1.33 0.00 0.00 177.39 177.68 1xfl s ASP 95 N -5.68 0.03 -0.17 -1.43 -4.77 -0.49 -5.04 116.67 99.11 1xfl s ASP 95 Ca -0.19 -0.46 -0.09 0.00 -3.30 0.00 0.00 52.55 48.51 1xfl s ASP 95 Cb 0.03 0.34 0.06 0.00 -1.09 0.00 0.00 42.92 42.25 1xfl s ASP 95 CO 0.28 -0.67 0.40 -0.75 0.70 0.00 0.00 175.17 175.13 1xfl s LYS 96 N -3.23 0.37 -0.20 2.11 2.36 -1.26 -0.37 119.74 119.51 1xfl s LYS 96 Ca 0.00 0.80 -0.02 0.00 -2.55 0.00 0.00 55.97 54.19 1xfl s LYS 96 Cb 0.02 0.00 -0.00 0.00 -1.05 0.00 0.00 37.83 36.80 1xfl s LYS 96 CO -0.08 -0.17 -0.09 0.08 1.55 0.00 0.00 175.35 176.64 1xfl s VAL 97 N 1.52 3.01 -0.16 4.02 1.01 0.72 -4.98 120.40 125.55 1xfl s VAL 97 Ca -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1xfl s VAL 97 Cb -0.09 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1xfl s VAL 97 CO -0.12 0.46 0.16 0.54 0.00 0.00 0.00 175.10 176.14 1xfl s VAL 98 N 1.35 5.42 0.00 2.92 0.11 -1.26 -0.20 120.40 128.74 1xfl s VAL 98 Ca 0.04 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1xfl s VAL 98 Cb -0.14 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1xfl s VAL 98 CO -0.05 0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1xfl n GLY 99 N 2.88 -0.04 3.59 6.54 0.00 0.12 -4.83 105.19 113.46 1xfl n GLY 99 Ca -0.17 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.23 3.02 -0.23 4.61 0.00 -1.26 -4.76 121.76 120.91 1xfl s ALA 100 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.53 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 -2.51 -0.06 0.15 0.00 0.00 0.00 175.76 173.34 1xfl s LYS 101 N 4.93 1.71 0.22 0.00 1.02 -1.26 -5.00 119.74 121.36 1xfl s LYS 101 Ca 0.53 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 1xfl s LYS 101 Cb -0.10 -2.60 0.22 0.00 -0.52 0.00 0.00 37.83 34.83 1xfl s LYS 101 CO 0.30 -0.58 1.60 -0.22 -0.92 0.00 0.00 175.35 175.52 1xfl h LYS 102 N 7.94 0.56 -0.01 1.68 3.64 -1.99 -0.55 116.57 127.84 1xfl h LYS 102 Ca -0.19 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1xfl h LYS 102 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1xfl h LYS 102 CO 0.42 0.87 -0.04 0.22 -2.27 0.00 0.00 179.45 178.65 1xfl h ASP 103 N 0.47 0.06 0.20 4.20 3.58 -2.00 -3.06 116.42 119.86 1xfl h ASP 103 Ca 0.04 -0.62 -0.14 0.00 0.42 0.00 0.00 57.03 56.73 1xfl h ASP 103 Cb 0.89 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1xfl h ASP 103 CO 0.08 0.66 -0.53 -0.08 -2.88 0.00 0.00 179.24 176.49 1xfl h GLU 104 N -0.55 0.36 0.12 0.28 4.81 -1.99 -2.28 114.58 115.33 1xfl h GLU 104 Ca -0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1xfl h GLU 104 Cb 0.66 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1xfl h GLU 104 CO 0.01 0.80 -0.06 1.25 -0.73 0.00 0.00 179.01 180.27 1xfl h LEU 105 N 0.28 -0.16 -1.24 1.64 5.85 -1.18 0.14 115.31 120.64 1xfl h LEU 105 Ca 0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xfl h LEU 105 Cb 1.02 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1xfl h LEU 105 CO 0.09 -0.11 0.32 1.56 -0.34 0.00 0.00 178.44 179.96 1xfl h GLN 106 N -0.17 0.84 -0.04 1.25 4.20 -1.47 0.70 115.11 120.42 1xfl h GLN 106 Ca -0.01 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1xfl h GLN 106 Cb 0.14 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1xfl h GLN 106 CO 0.02 0.63 -0.47 0.77 -0.67 0.00 0.00 178.83 179.11 1xfl h SER 107 N 0.84 0.10 0.07 1.46 0.02 -0.91 -1.26 113.55 113.88 1xfl h SER 107 Ca 0.21 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 1xfl h SER 107 Cb 0.05 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1xfl h SER 107 CO -0.03 0.56 -0.56 0.74 -1.14 0.00 0.00 176.83 176.40 1xfl h THR 108 N 0.08 1.33 0.26 -2.27 2.02 0.57 -0.63 112.91 114.27 1xfl h THR 108 Ca 0.00 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 1xfl h THR 108 Cb 0.86 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1xfl h THR 108 CO 0.07 0.56 -0.12 0.40 0.37 0.00 0.00 175.52 176.79 1xfl h ILE 109 N 0.39 0.80 -0.06 3.11 1.08 -0.37 -2.33 117.51 120.12 1xfl h ILE 109 Ca 0.01 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1xfl h ILE 109 Cb 1.09 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1xfl h ILE 109 CO 0.10 0.08 -0.06 0.00 -0.69 0.00 0.00 178.15 177.59 1xfl h ALA 110 N 0.15 1.79 -0.62 1.87 0.00 -1.23 -1.05 119.26 120.17 1xfl h ALA 110 Ca -0.04 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xfl h ALA 110 Cb 0.40 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1xfl h ALA 110 CO 0.06 0.16 0.36 -0.22 0.00 0.00 0.00 179.25 179.61 1xfl h LYS 111 N 0.09 0.67 0.00 0.00 3.64 -0.87 -2.24 116.57 117.86 1xfl h LYS 111 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xfl h LYS 111 Cb 0.16 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1xfl h LYS 111 CO 0.01 0.44 0.00 0.45 -2.27 0.00 0.00 179.45 178.08 1xfl h HIS 112 N 0.69 0.00 -2.65 1.91 3.86 -0.67 -3.43 115.15 114.86 1xfl h HIS 112 Ca 0.26 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.90 1xfl h HIS 112 Cb 0.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1xfl h HIS 112 CO -0.07 0.00 1.22 -0.51 0.86 0.00 0.00 177.93 179.43 1xfl s LEU 113 N -5.95 3.74 0.00 2.43 2.01 -0.79 -5.11 118.68 115.00 1xfl s LEU 113 Ca 0.07 1.58 0.00 0.00 0.01 0.00 0.00 54.13 55.79 1xfl s LEU 113 Cb 0.06 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.74 1xfl s LEU 113 CO 0.64 -1.47 0.00 0.00 1.01 0.00 0.00 176.35 176.53