#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 3.37 -0.40 3.04 0.00 -1.26 -4.98 121.76 121.52 1xfl s ALA 2 Ca 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.34 1xfl s ALA 2 Cb 0.00 -2.68 0.16 0.00 0.00 0.00 0.00 23.12 20.60 1xfl s ALA 2 CO 0.00 -1.31 0.29 -1.12 0.00 0.00 0.00 175.76 173.61 1xfl s SER 3 N 1.62 2.35 -0.61 0.00 0.01 -1.26 -5.07 113.70 110.74 1xfl s SER 3 Ca 0.04 -2.73 -0.17 0.00 1.31 0.00 0.00 55.95 54.40 1xfl s SER 3 Cb -0.19 -0.52 0.13 0.00 0.21 0.00 0.00 66.02 65.65 1xfl s SER 3 CO 0.08 -0.23 0.64 -0.70 0.41 0.00 0.00 173.24 173.44 1xfl s GLU 4 N 0.40 3.12 0.42 12.44 2.12 -1.26 -5.03 118.70 130.91 1xfl s GLU 4 Ca 0.26 -1.68 0.08 0.00 0.36 0.00 0.00 54.97 53.99 1xfl s GLU 4 Cb -0.09 -4.33 -0.02 0.00 0.26 0.00 0.00 34.13 29.95 1xfl s GLU 4 CO -0.10 -1.42 0.37 -1.83 -0.54 0.00 0.00 175.26 171.74 1xfl s GLU 5 N 1.84 2.51 0.00 4.30 4.04 -1.26 -4.63 118.70 125.49 1xfl s GLU 5 Ca 0.09 -1.56 0.00 0.00 0.04 0.00 0.00 54.97 53.54 1xfl s GLU 5 Cb -0.24 -2.35 0.00 0.00 0.02 0.00 0.00 34.13 31.56 1xfl s GLU 5 CO 0.02 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.66 1xfl n GLY 6 N -1.53 0.72 3.44 -3.83 0.00 -0.99 -4.82 105.19 98.19 1xfl n GLY 6 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.31 2.12 -0.01 1.61 1.03 -1.26 -4.61 119.66 118.23 1xfl s GLN 7 Ca 0.00 -0.94 0.07 0.00 0.04 0.00 0.00 55.36 54.53 1xfl s GLN 7 Cb 0.00 -2.19 -0.02 0.00 0.03 0.00 0.00 33.01 30.82 1xfl s GLN 7 CO 0.00 0.55 -0.22 0.08 -2.54 0.00 0.00 175.29 173.17 1xfl s VAL 8 N -0.87 2.45 -0.37 3.63 1.01 -1.26 -4.76 120.40 120.23 1xfl s VAL 8 Ca 0.14 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1xfl s VAL 8 Cb -0.10 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1xfl s VAL 8 CO 0.04 0.52 0.84 -0.63 0.00 0.00 0.00 175.10 175.87 1xfl s ILE 9 N -0.71 4.66 -0.39 2.22 1.09 0.33 -4.81 121.20 123.59 1xfl s ILE 9 Ca 0.11 0.97 -0.21 0.00 -1.10 0.00 0.00 60.65 60.42 1xfl s ILE 9 Cb -0.10 -4.27 0.01 0.00 -1.06 0.00 0.00 42.46 37.04 1xfl s ILE 9 CO 0.01 -0.50 0.64 0.00 -0.10 0.00 0.00 174.94 174.98 1xfl s ALA 10 N 3.27 3.41 -0.36 9.38 0.00 -1.26 -0.78 121.76 135.42 1xfl s ALA 10 Ca 0.34 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 1xfl s ALA 10 Cb -0.13 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1xfl s ALA 10 CO 0.18 -1.52 0.76 0.00 0.00 0.00 0.00 175.76 175.18 1xfl n HIS 12 N 6.36 0.33 -3.89 0.00 8.25 -1.26 -4.35 115.22 120.66 1xfl n HIS 12 Ca 0.02 -0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.21 1xfl n HIS 12 Cb 0.48 -0.00 -0.08 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 -1.48 0.14 0.11 1.59 -4.23 -1.26 -4.88 115.64 105.63 1xfl s THR 13 Ca 0.32 -1.16 0.18 0.00 -1.18 0.00 0.00 61.69 59.85 1xfl s THR 13 Cb 0.20 -1.19 0.12 0.00 1.34 0.00 0.00 72.50 72.97 1xfl s THR 13 CO 0.28 -0.64 1.69 0.58 -0.54 0.00 0.00 174.62 175.98 1xfl h VAL 14 N 3.09 0.87 0.10 2.29 2.07 -1.99 -2.98 116.25 119.70 1xfl h VAL 14 Ca -0.33 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 65.55 1xfl h VAL 14 Cb 1.19 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1xfl h VAL 14 CO 0.54 0.39 -0.05 -0.33 0.02 0.00 0.00 177.57 178.14 1xfl h GLU 15 N 0.00 -0.13 -0.71 1.57 3.07 -1.98 0.31 114.58 116.71 1xfl h GLU 15 Ca -0.00 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1xfl h GLU 15 Cb 0.98 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.89 1xfl h GLU 15 CO 0.05 -0.03 0.27 1.15 -1.40 0.00 0.00 179.01 179.05 1xfl h THR 16 N -0.19 1.25 -0.02 1.13 2.02 -1.98 0.17 112.91 115.29 1xfl h THR 16 Ca -0.01 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.38 1xfl h THR 16 Cb 0.16 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1xfl h THR 16 CO 0.02 0.32 -0.10 -0.25 0.37 0.00 0.00 175.52 175.89 1xfl h TRP 17 N 1.03 -0.24 -0.20 3.16 -0.00 -1.32 -0.70 115.95 117.68 1xfl h TRP 17 Ca 0.24 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.13 1xfl h TRP 17 Cb 0.23 0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 1xfl h TRP 17 CO 0.02 -0.15 0.08 -0.97 -0.00 0.00 0.00 178.44 177.42 1xfl h ASN 18 N -0.16 0.27 -0.68 2.65 -0.73 -0.14 -1.98 115.58 114.81 1xfl h ASN 18 Ca 0.04 -0.15 0.07 0.00 1.87 0.00 0.00 56.30 58.13 1xfl h ASN 18 Cb 0.21 -0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.67 1xfl h ASN 18 CO -0.11 0.35 0.37 -0.08 -0.37 0.00 0.00 177.43 177.58 1xfl h GLU 19 N 0.17 0.64 -0.08 6.67 4.57 -0.42 -0.01 114.58 126.12 1xfl h GLU 19 Ca 0.07 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 57.98 1xfl h GLU 19 Cb 0.16 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1xfl h GLU 19 CO -0.01 0.43 -0.82 1.96 -1.18 0.00 0.00 179.01 179.39 1xfl h GLN 20 N 0.66 0.70 -0.45 1.92 1.08 -1.04 -2.55 115.11 115.44 1xfl h GLN 20 Ca 0.31 -0.64 -0.09 0.00 -1.45 0.00 0.00 58.65 56.78 1xfl h GLN 20 Cb 0.24 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1xfl h GLN 20 CO -0.21 1.25 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.78 1xfl h LEU 21 N 0.39 0.83 -0.65 1.46 3.38 -1.01 0.20 115.31 119.91 1xfl h LEU 21 Ca -0.08 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1xfl h LEU 21 Cb 1.47 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 1xfl h LEU 21 CO 0.17 0.98 0.40 -0.61 0.09 0.00 0.00 178.44 179.46 1xfl h GLN 22 N 0.67 0.88 -0.46 1.13 5.75 -1.07 -0.76 115.11 121.25 1xfl h GLN 22 Ca 0.12 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1xfl h GLN 22 Cb 0.59 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1xfl h GLN 22 CO 0.04 0.62 0.14 -0.22 -2.65 0.00 0.00 178.83 176.75 1xfl h LYS 23 N 0.88 0.73 -0.52 1.69 3.64 -1.14 -0.31 116.57 121.53 1xfl h LYS 23 Ca 0.23 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1xfl h LYS 23 Cb -0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1xfl h LYS 23 CO -0.04 0.70 0.26 0.00 -2.27 0.00 0.00 179.45 178.09 1xfl h ALA 24 N 0.99 1.47 0.18 5.00 0.00 -0.21 0.38 119.26 127.08 1xfl h ALA 24 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xfl h ALA 24 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xfl h ALA 24 CO -0.00 0.43 -0.09 -0.97 0.00 0.00 0.00 179.25 178.62 1xfl h ASN 25 N 0.73 -0.21 -0.43 0.00 -1.24 -0.82 0.19 115.58 113.80 1xfl h ASN 25 Ca 0.18 -0.30 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 1xfl h ASN 25 Cb 0.07 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1xfl h ASN 25 CO -0.03 0.24 0.08 -0.33 -1.29 0.00 0.00 177.43 176.10 1xfl h GLU 26 N -0.71 0.71 -0.00 6.67 4.39 -0.78 -2.62 114.58 122.23 1xfl h GLU 26 Ca -0.03 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1xfl h GLU 26 Cb 0.50 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1xfl h GLU 26 CO 0.04 0.73 -0.02 0.43 -1.16 0.00 0.00 179.01 179.03 1xfl n SER 27 N -4.50 0.29 -3.41 1.42 7.64 0.13 -4.89 113.62 110.30 1xfl n SER 27 Ca 0.00 -0.82 -0.24 0.00 1.01 0.00 0.00 58.87 58.82 1xfl n SER 27 Cb 0.23 -0.07 0.06 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.89 -6.64 -3.31 1.43 5.02 -0.74 -4.96 118.16 108.07 1xfl n LYS 28 Ca 0.20 0.84 -0.36 0.00 -2.02 0.00 0.00 58.31 56.96 1xfl n LYS 28 Cb 0.20 -5.81 -0.06 0.00 -0.02 0.00 0.00 35.03 29.34 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 -3.26 4.80 -0.05 -0.18 2.01 0.60 -4.36 115.64 115.20 1xfl s THR 29 Ca 0.49 0.96 -0.28 0.00 0.31 0.00 0.00 61.69 63.17 1xfl s THR 29 Cb -0.22 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1xfl s THR 29 CO 0.61 0.30 0.91 -0.22 -0.69 0.00 0.00 174.62 175.53 1xfl s LEU 30 N -1.78 4.32 -0.02 4.42 0.20 -1.26 -1.87 118.68 122.68 1xfl s LEU 30 Ca 0.37 1.49 0.05 0.00 0.69 0.00 0.00 54.13 56.73 1xfl s LEU 30 Cb -0.16 -3.43 -0.01 0.00 -0.43 0.00 0.00 46.19 42.16 1xfl s LEU 30 CO 0.19 -0.27 -0.17 0.54 -0.29 0.00 0.00 176.35 176.35 1xfl s VAL 31 N 1.24 1.39 -0.14 1.68 0.11 -1.11 -0.75 120.40 122.83 1xfl s VAL 31 Ca 0.47 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1xfl s VAL 31 Cb -0.19 -1.17 0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1xfl s VAL 31 CO 0.23 0.40 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.54 1xfl s VAL 32 N -0.23 1.64 -0.10 2.04 1.01 0.58 -0.49 120.40 124.85 1xfl s VAL 32 Ca 0.03 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1xfl s VAL 32 Cb -0.09 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1xfl s VAL 32 CO 0.00 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 1xfl s VAL 33 N 1.22 3.21 -0.30 2.92 1.01 0.54 -1.39 120.40 127.61 1xfl s VAL 33 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1xfl s VAL 33 Cb -0.14 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.94 1xfl s VAL 33 CO -0.07 0.55 0.05 -0.62 0.00 0.00 0.00 175.10 175.01 1xfl s ASP 34 N -0.09 5.01 -0.32 3.32 2.15 0.51 0.39 116.67 127.64 1xfl s ASP 34 Ca -0.01 -0.95 -0.19 0.00 0.43 0.00 0.00 52.55 51.83 1xfl s ASP 34 Cb -0.14 -1.82 -0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1xfl s ASP 34 CO 0.03 -0.23 0.56 -0.36 -0.17 0.00 0.00 175.17 175.00 1xfl s PHE 35 N 1.41 3.20 0.36 -5.34 0.40 0.51 -0.25 117.98 118.27 1xfl s PHE 35 Ca -0.00 0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 56.64 1xfl s PHE 35 Cb -0.18 -2.93 0.03 0.00 0.51 0.00 0.00 43.02 40.45 1xfl s PHE 35 CO 0.01 -0.48 0.63 -0.08 0.70 0.00 0.00 175.22 176.00 1xfl s THR 36 N 2.48 0.00 -0.01 0.64 -1.32 0.56 -0.99 115.64 116.99 1xfl s THR 36 Ca 0.22 -1.30 0.01 0.00 -1.21 0.00 0.00 61.69 59.41 1xfl s THR 36 Cb -0.15 -2.73 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1xfl s THR 36 CO 0.12 0.00 -0.03 0.00 -2.21 0.00 0.00 174.62 172.50 1xfl s ALA 37 N -2.74 0.38 0.39 11.08 0.00 -1.26 0.63 121.76 130.24 1xfl s ALA 37 Ca 0.23 -0.10 0.23 0.00 0.00 0.00 0.00 51.96 52.32 1xfl s ALA 37 Cb -0.03 -0.16 1.23 0.00 0.00 0.00 0.00 23.12 24.16 1xfl s ALA 37 CO 0.16 0.05 2.00 1.03 0.00 0.00 0.00 175.76 179.00 1xfl h SER 38 N 6.38 0.00 -0.18 0.00 0.87 -1.96 -1.54 113.55 117.12 1xfl h SER 38 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1xfl h SER 38 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xfl h SER 38 CO 0.50 0.18 0.00 -2.67 -0.53 0.00 0.00 176.83 174.30 1xfl n TRP 39 N -3.78 0.24 -3.52 2.24 4.27 -1.26 -4.80 117.44 110.83 1xfl n TRP 39 Ca -0.02 -0.12 -0.38 0.00 -3.89 0.00 0.00 57.50 53.10 1xfl n TRP 39 Cb 0.28 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.14 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 7.87 -0.37 1.60 0.00 0.00 -1.87 -0.37 103.07 109.93 1xfl h GLY 41 Ca -0.36 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1xfl h GLY 41 CO 0.66 -0.13 0.18 -2.55 0.00 0.00 0.00 176.54 174.69 1xfl h PRO 42 N -0.34 0.17 -0.34 4.80 0.11 -1.96 -0.20 132.00 134.24 1xfl h PRO 42 Ca -0.03 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1xfl h PRO 42 Cb 0.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1xfl h PRO 42 CO 0.06 0.11 -0.20 0.00 -0.21 0.00 0.00 178.00 177.76 1xfl h ARG 44 N 0.57 0.22 -0.24 0.00 1.12 0.43 -2.69 114.38 113.79 1xfl h ARG 44 Ca 0.09 -0.28 -0.08 0.00 -1.11 0.00 0.00 59.98 58.59 1xfl h ARG 44 Cb 0.66 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.70 1xfl h ARG 44 CO 0.05 1.04 -0.20 0.35 -3.11 0.00 0.00 179.97 178.11 1xfl h PHE 45 N 0.10 0.47 0.00 2.20 3.57 -0.66 -2.60 116.94 120.02 1xfl h PHE 45 Ca -0.07 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1xfl h PHE 45 Cb 1.66 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1xfl h PHE 45 CO 0.04 0.60 -0.54 1.51 -2.23 0.00 0.00 178.31 177.69 1xfl n ILE 46 N -4.17 0.35 -0.08 1.41 0.13 -0.35 -4.29 119.36 112.36 1xfl n ILE 46 Ca -0.00 -0.25 -0.07 0.00 -1.10 0.00 0.00 62.75 61.33 1xfl n ILE 46 Cb 0.36 -0.16 0.00 0.00 -0.84 0.00 0.00 39.64 39.00 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 2.55 0.31 -0.06 1.51 0.00 -1.11 -2.46 119.26 120.00 1xfl h ALA 47 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xfl h ALA 47 Cb 0.73 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xfl h ALA 47 CO 0.00 -0.36 0.05 -1.00 0.00 0.00 0.00 179.25 177.94 1xfl h PRO 48 N 0.15 0.00 -0.12 0.00 0.13 -1.75 -1.14 132.00 129.28 1xfl h PRO 48 Ca 0.14 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.08 1xfl h PRO 48 Cb 0.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1xfl h PRO 48 CO -0.20 0.00 -0.70 0.35 -0.23 0.00 0.00 178.00 177.22 1xfl h PHE 49 N 0.00 0.69 -0.09 1.56 3.57 -1.71 0.44 116.94 121.41 1xfl h PHE 49 Ca 0.03 -0.29 -0.15 0.00 3.53 0.00 0.00 57.97 61.09 1xfl h PHE 49 Cb 0.12 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1xfl h PHE 49 CO 0.00 1.06 -0.58 0.35 -2.23 0.00 0.00 178.31 176.91 1xfl h PHE 50 N 0.36 0.36 -0.06 0.41 3.57 -1.03 -0.28 116.94 120.27 1xfl h PHE 50 Ca -0.03 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.21 1xfl h PHE 50 Cb 1.28 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1xfl h PHE 50 CO 0.05 0.80 -0.56 0.00 -2.23 0.00 0.00 178.31 176.37 1xfl h ALA 51 N 1.17 0.93 -0.55 2.41 0.00 -1.12 -2.19 119.26 119.92 1xfl h ALA 51 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1xfl h ALA 51 Cb 1.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1xfl h ALA 51 CO 0.09 0.70 0.07 0.22 0.00 0.00 0.00 179.25 180.33 1xfl h ASP 52 N 0.15 0.89 -0.48 0.00 3.58 -0.36 -0.65 116.42 119.56 1xfl h ASP 52 Ca -0.00 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.21 1xfl h ASP 52 Cb 1.04 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 1xfl h ASP 52 CO 0.08 0.94 0.27 -0.07 -2.88 0.00 0.00 179.24 177.58 1xfl h LEU 53 N 0.81 0.41 -1.70 2.28 3.38 -0.91 -1.24 115.31 118.34 1xfl h LEU 53 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1xfl h LEU 53 Cb 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xfl h LEU 53 CO 0.01 0.29 -0.07 0.00 0.09 0.00 0.00 178.44 178.76 1xfl h ALA 54 N 1.23 1.76 -0.14 1.53 0.00 -0.92 0.82 119.26 123.55 1xfl h ALA 54 Ca 0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1xfl h ALA 54 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xfl h ALA 54 CO -0.11 0.18 -0.36 -0.22 0.00 0.00 0.00 179.25 178.74 1xfl h LYS 55 N 0.09 0.28 0.00 0.00 3.64 0.06 -2.60 116.57 118.04 1xfl h LYS 55 Ca 0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xfl h LYS 55 Cb 0.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1xfl h LYS 55 CO 0.01 0.61 -1.54 1.63 -2.27 0.00 0.00 179.45 177.89 1xfl n LYS 56 N -4.07 0.58 -3.92 1.90 4.01 -0.87 -4.44 118.16 111.35 1xfl n LYS 56 Ca -0.01 -0.07 -0.29 0.00 -0.51 0.00 0.00 58.31 57.42 1xfl n LYS 56 Cb 0.45 -1.62 -0.13 0.00 -0.51 0.00 0.00 35.03 33.21 1xfl n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1xfl s LEU 57 N -4.66 4.41 0.30 -0.35 1.43 0.23 -4.87 118.68 115.16 1xfl s LEU 57 Ca -0.04 -3.29 0.25 0.00 -1.03 0.00 0.00 54.13 50.02 1xfl s LEU 57 Cb 0.13 -1.61 0.62 0.00 0.03 0.00 0.00 46.19 45.36 1xfl s LEU 57 CO 0.86 -0.18 1.71 1.55 0.23 0.00 0.00 176.35 180.52 1xfl h PRO 58 N 6.13 0.00 -0.00 1.29 0.13 -1.86 -3.20 132.00 134.49 1xfl h PRO 58 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xfl h PRO 58 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1xfl h PRO 58 CO 0.69 0.00 -0.14 -1.71 -0.23 0.00 0.00 178.00 176.62 1xfl n ASN 59 N -2.59 0.26 -4.50 1.44 5.15 -1.26 -4.71 115.26 109.05 1xfl n ASN 59 Ca 0.05 -0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.60 1xfl n ASN 59 Cb 0.47 -0.18 -0.12 0.00 -0.53 0.00 0.00 39.78 39.42 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 -2.77 3.72 -0.27 3.44 1.01 -1.21 -4.33 120.40 119.99 1xfl s VAL 60 Ca 0.20 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1xfl s VAL 60 Cb 0.19 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1xfl s VAL 60 CO 0.54 0.52 0.64 -0.22 0.00 0.00 0.00 175.10 176.58 1xfl s LEU 61 N 0.06 4.08 -0.04 3.92 2.96 0.07 -4.95 118.68 124.79 1xfl s LEU 61 Ca -0.01 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1xfl s LEU 61 Cb -0.14 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1xfl s LEU 61 CO 0.03 -0.41 0.02 -0.36 -1.32 0.00 0.00 176.35 174.31 1xfl s PHE 62 N 2.55 3.17 -0.01 5.38 0.40 -1.26 -0.31 117.98 127.89 1xfl s PHE 62 Ca 0.26 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1xfl s PHE 62 Cb -0.15 -1.74 0.01 0.00 0.51 0.00 0.00 43.02 41.64 1xfl s PHE 62 CO 0.09 0.49 -0.04 -0.51 0.70 0.00 0.00 175.22 175.95 1xfl s LEU 63 N -1.26 1.77 -0.28 -0.37 1.43 -0.49 -0.51 118.68 118.97 1xfl s LEU 63 Ca 0.17 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1xfl s LEU 63 Cb -0.12 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.79 1xfl s LEU 63 CO 0.07 0.02 0.13 -0.54 0.23 0.00 0.00 176.35 176.26 1xfl s LYS 64 N 0.22 3.58 -0.26 1.70 -0.14 0.04 -0.36 119.74 124.51 1xfl s LYS 64 Ca -0.02 -0.55 -0.05 0.00 -1.36 0.00 0.00 55.97 53.99 1xfl s LYS 64 Cb -0.06 -3.49 0.01 0.00 -1.68 0.00 0.00 37.83 32.61 1xfl s LYS 64 CO -0.00 -0.28 0.01 0.08 -0.76 0.00 0.00 175.35 174.40 1xfl s VAL 65 N 1.64 3.54 -0.19 3.17 1.01 0.66 -1.48 120.40 128.75 1xfl s VAL 65 Ca 0.06 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1xfl s VAL 65 Cb -0.16 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1xfl s VAL 65 CO 0.06 0.20 0.55 -0.62 0.00 0.00 0.00 175.10 175.29 1xfl s ASP 66 N 1.45 6.62 0.43 3.32 -1.08 -1.25 -0.32 116.67 125.83 1xfl s ASP 66 Ca 0.03 0.75 0.29 0.00 -0.52 0.00 0.00 52.55 53.09 1xfl s ASP 66 Cb -0.16 -2.31 1.07 0.00 -1.46 0.00 0.00 42.92 40.05 1xfl s ASP 66 CO -0.01 -0.19 1.84 0.71 0.52 0.00 0.00 175.17 178.04 1xfl h THR 67 N 5.10 0.00 0.12 1.71 1.35 -0.08 0.31 112.91 121.42 1xfl h THR 67 Ca -0.34 -0.50 -0.28 0.00 -0.55 0.00 0.00 66.41 64.74 1xfl h THR 67 Cb 1.15 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1xfl h THR 67 CO 0.75 0.00 -1.28 -0.78 -0.25 0.00 0.00 175.52 173.96 1xfl h ASP 68 N 0.00 0.40 0.22 5.36 1.82 -1.92 -2.93 116.42 119.37 1xfl h ASP 68 Ca 0.00 -0.44 -0.01 0.00 -0.39 0.00 0.00 57.03 56.18 1xfl h ASP 68 Cb 0.56 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1xfl h ASP 68 CO 0.00 1.35 -0.11 -0.08 -1.61 0.00 0.00 179.24 178.79 1xfl h GLU 69 N 0.07 -0.29 -2.37 0.28 4.57 -1.79 -3.37 114.58 111.68 1xfl h GLU 69 Ca -0.15 0.02 -0.75 0.00 -1.18 0.00 0.00 59.36 57.30 1xfl h GLU 69 Cb 1.97 0.07 -0.31 0.00 -0.16 0.00 0.00 28.75 30.31 1xfl h GLU 69 CO 0.19 -0.19 0.53 1.28 -1.18 0.00 0.00 179.01 179.64 1xfl n LEU 70 N -3.88 6.36 -0.01 1.64 4.77 0.10 -4.81 117.00 121.19 1xfl n LEU 70 Ca -0.04 -5.43 -0.03 0.00 -0.03 0.00 0.00 56.01 50.49 1xfl n LEU 70 Cb 0.12 -1.03 0.22 0.00 -2.33 0.00 0.00 43.42 40.40 1xfl n LEU 70 CO 0.09 2.05 0.81 0.07 -1.33 0.00 0.00 177.39 179.08 1xfl h LYS 71 N 4.16 0.53 -0.06 3.23 2.10 -1.69 -0.72 116.57 124.14 1xfl h LYS 71 Ca 0.37 -0.17 -0.18 0.00 -2.00 0.00 0.00 60.65 58.67 1xfl h LYS 71 Cb 0.43 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1xfl h LYS 71 CO 1.11 0.67 -0.75 0.77 -2.00 0.00 0.00 179.45 179.25 1xfl h SER 72 N 0.49 0.41 -0.23 7.07 0.02 -1.87 -2.04 113.55 117.41 1xfl h SER 72 Ca 0.09 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1xfl h SER 72 Cb 0.55 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1xfl h SER 72 CO 0.04 1.02 -0.05 0.58 -1.14 0.00 0.00 176.83 177.27 1xfl h VAL 73 N 0.23 1.28 -0.09 2.27 2.07 -1.86 -1.99 116.25 118.16 1xfl h VAL 73 Ca -0.03 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1xfl h VAL 73 Cb 1.33 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1xfl h VAL 73 CO 0.12 0.32 0.02 0.00 0.02 0.00 0.00 177.57 178.05 1xfl h ALA 74 N 0.75 1.87 -0.01 1.67 0.00 -1.10 -1.03 119.26 121.41 1xfl h ALA 74 Ca 0.06 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1xfl h ALA 74 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xfl h ALA 74 CO 0.02 0.11 -0.80 0.77 0.00 0.00 0.00 179.25 179.35 1xfl h SER 75 N 0.12 0.19 0.37 0.00 0.02 -1.04 0.19 113.55 113.40 1xfl h SER 75 Ca 0.03 -0.15 -0.27 0.00 -0.84 0.00 0.00 61.79 60.57 1xfl h SER 75 Cb 0.06 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.56 1xfl h SER 75 CO -0.00 0.91 -1.17 -0.78 -1.14 0.00 0.00 176.83 174.66 1xfl h ASP 76 N 0.09 0.62 0.81 3.07 3.58 -0.53 -2.81 116.42 121.25 1xfl h ASP 76 Ca -0.03 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.84 1xfl h ASP 76 Cb 1.40 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1xfl h ASP 76 CO 0.12 1.42 0.00 0.79 -2.88 0.00 0.00 179.24 178.68 1xfl n TRP 77 N -3.69 0.00 -2.99 0.28 7.02 -0.49 -4.93 117.44 112.63 1xfl n TRP 77 Ca -0.10 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.30 1xfl n TRP 77 Cb 0.96 -0.47 0.04 0.00 -2.42 0.00 0.00 31.31 29.41 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 -1.47 -2.33 -3.46 6.99 0.00 -0.67 -4.99 120.51 114.57 1xfl n ALA 78 Ca 0.07 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 1xfl n ALA 78 Cb 0.28 -3.61 -0.10 0.00 0.00 0.00 0.00 19.45 16.02 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 -3.20 4.02 -0.13 0.00 -1.09 0.60 -4.88 121.20 116.52 1xfl s ILE 79 Ca 0.24 -1.63 0.09 0.00 -2.23 0.00 0.00 60.65 57.12 1xfl s ILE 79 Cb -0.03 -3.56 -0.14 0.00 -1.58 0.00 0.00 42.46 37.15 1xfl s ILE 79 CO 0.66 -0.60 0.01 1.67 -1.23 0.00 0.00 174.94 175.45 1xfl n GLN 80 N 4.85 1.72 -3.39 2.79 7.27 -1.26 -4.73 117.38 124.63 1xfl n GLN 80 Ca -0.08 0.01 -0.38 0.00 0.07 0.00 0.00 57.00 56.62 1xfl n GLN 80 Cb 0.42 -1.31 -0.06 0.00 2.41 0.00 0.00 30.24 31.70 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 -2.30 3.58 -0.07 1.69 0.00 -1.26 -5.06 121.76 118.34 1xfl s ALA 81 Ca -0.09 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.75 1xfl s ALA 81 Cb 0.04 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.62 1xfl s ALA 81 CO 0.47 0.26 -0.22 -1.64 0.00 0.00 0.00 175.76 174.63 1xfl s MET 82 N -0.33 2.56 0.27 0.00 -1.94 -1.26 -3.53 119.30 115.07 1xfl s MET 82 Ca 0.25 -0.80 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1xfl s MET 82 Cb -0.16 -2.05 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 1xfl s MET 82 CO 0.13 0.24 0.50 -1.25 -0.01 0.00 0.00 175.02 174.63 1xfl s PRO 83 N 0.16 3.57 -0.17 2.03 0.04 -1.26 -4.39 135.00 134.98 1xfl s PRO 83 Ca -0.11 -0.15 -0.02 0.00 0.04 0.00 0.00 61.00 60.75 1xfl s PRO 83 Cb -0.15 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1xfl s PRO 83 CO 0.06 0.26 -0.08 0.99 0.04 0.00 0.00 177.00 178.27 1xfl s THR 84 N -2.06 3.32 -0.25 1.26 2.01 -0.16 -0.60 115.64 119.17 1xfl s THR 84 Ca 0.42 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 1xfl s THR 84 Cb -0.11 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1xfl s THR 84 CO 0.31 0.48 0.09 -0.36 -0.69 0.00 0.00 174.62 174.45 1xfl s PHE 85 N 0.81 3.14 -0.18 4.92 0.40 0.17 -0.36 117.98 126.87 1xfl s PHE 85 Ca -0.03 -0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1xfl s PHE 85 Cb -0.15 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 1xfl s PHE 85 CO 0.01 -0.24 -0.08 1.41 0.70 0.00 0.00 175.22 177.02 1xfl s MET 86 N 1.47 3.40 -0.30 0.44 1.75 0.16 0.57 119.30 126.78 1xfl s MET 86 Ca 0.06 -0.64 -0.11 0.00 -1.25 0.00 0.00 55.69 53.75 1xfl s MET 86 Cb -0.15 -2.86 -0.03 0.00 2.84 0.00 0.00 34.83 34.63 1xfl s MET 86 CO 0.05 -0.02 0.19 -0.06 -0.65 0.00 0.00 175.02 174.52 1xfl s PHE 87 N 0.99 3.20 0.33 4.11 0.40 0.16 -0.34 117.98 126.83 1xfl s PHE 87 Ca -0.01 -0.21 0.10 0.00 -0.60 0.00 0.00 56.93 56.22 1xfl s PHE 87 Cb -0.15 -2.39 -0.06 0.00 0.51 0.00 0.00 43.02 40.93 1xfl s PHE 87 CO -0.00 -0.32 -0.12 -0.51 0.70 0.00 0.00 175.22 174.97 1xfl s LEU 88 N 1.70 2.70 -0.08 -0.37 1.02 0.36 -1.39 118.68 122.62 1xfl s LEU 88 Ca 0.06 -1.16 -0.01 0.00 0.02 0.00 0.00 54.13 53.05 1xfl s LEU 88 Cb -0.17 -1.02 0.03 0.00 0.02 0.00 0.00 46.19 45.05 1xfl s LEU 88 CO 0.09 -0.15 -0.03 -0.75 0.02 0.00 0.00 176.35 175.54 1xfl s LYS 89 N -3.59 0.90 -1.64 1.70 2.20 0.16 -2.75 119.74 116.71 1xfl s LYS 89 Ca 0.32 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1xfl s LYS 89 Cb 0.01 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1xfl s LYS 89 CO 0.16 -0.25 0.00 0.39 -0.36 0.00 0.00 175.35 175.29 1xfl n GLU 90 N 4.88 -1.22 -0.08 4.03 1.02 -0.78 -1.14 120.64 127.34 1xfl n GLU 90 Ca -0.12 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1xfl n GLU 90 Cb 0.50 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 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 -0.96 1.12 3.75 0.62 0.00 -1.12 -4.11 105.19 104.49 1xfl n GLY 91 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.59 4.09 0.12 1.61 3.01 -0.29 -4.89 119.74 122.80 1xfl s LYS 92 Ca 0.00 -0.13 -0.31 0.00 -1.01 0.00 0.00 55.97 54.51 1xfl s LYS 92 Cb 0.00 -3.38 -0.09 0.00 -1.01 0.00 0.00 37.83 33.35 1xfl s LYS 92 CO 0.00 0.37 1.50 0.42 0.51 0.00 0.00 175.35 178.15 1xfl s ILE 93 N 0.15 3.03 -0.15 2.17 1.01 -1.26 0.35 121.20 126.51 1xfl s ILE 93 Ca 0.11 0.69 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 1xfl s ILE 93 Cb -0.12 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1xfl s ILE 93 CO 0.00 0.04 -0.30 0.18 0.00 0.00 0.00 174.94 174.86 1xfl n LEU 94 N 4.33 1.81 -3.45 2.97 4.77 -0.49 -4.85 117.00 122.10 1xfl n LEU 94 Ca 0.13 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1xfl n LEU 94 Cb 0.41 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1xfl n LEU 94 CO 0.60 -0.29 0.42 1.51 -1.33 0.00 0.00 177.39 178.31 1xfl s ASP 95 N -6.01 -0.58 0.10 -1.43 1.47 -0.55 -5.04 116.67 104.64 1xfl s ASP 95 Ca -0.25 0.17 0.03 0.00 1.18 0.00 0.00 52.55 53.68 1xfl s ASP 95 Cb 0.04 0.57 -0.04 0.00 -0.34 0.00 0.00 42.92 43.16 1xfl s ASP 95 CO 0.37 -0.87 -0.09 -1.59 0.68 0.00 0.00 175.17 173.67 1xfl s LYS 96 N -3.11 0.87 -0.19 2.11 0.00 -1.26 0.36 119.74 118.52 1xfl s LYS 96 Ca -0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 55.97 54.70 1xfl s LYS 96 Cb -0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 37.83 37.35 1xfl s LYS 96 CO -0.07 0.06 -0.10 0.08 0.00 0.00 0.00 175.35 175.31 1xfl s VAL 97 N -2.84 2.98 -0.33 1.79 1.01 0.19 -4.97 120.40 118.23 1xfl s VAL 97 Ca 0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1xfl s VAL 97 Cb -0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1xfl s VAL 97 CO -0.01 0.47 0.22 0.54 0.00 0.00 0.00 175.10 176.33 1xfl s VAL 98 N 1.23 5.18 0.00 2.92 0.11 -1.26 -0.66 120.40 127.92 1xfl s VAL 98 Ca 0.02 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1xfl s VAL 98 Cb -0.14 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 1xfl s VAL 98 CO -0.04 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1xfl n GLY 99 N 5.08 -0.13 3.60 6.54 0.00 0.24 -4.79 105.19 115.73 1xfl n GLY 99 Ca -0.13 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.69 3.13 -0.24 4.61 0.00 -1.26 -4.71 121.76 120.60 1xfl s ALA 100 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1xfl s ALA 100 Cb 0.00 -3.91 0.06 0.00 0.00 0.00 0.00 23.12 19.27 1xfl s ALA 100 CO 0.00 -2.30 -0.06 0.15 0.00 0.00 0.00 175.76 173.55 1xfl s LYS 101 N 4.58 1.77 -0.03 0.00 1.02 -1.26 -5.02 119.74 120.79 1xfl s LYS 101 Ca 0.51 -1.10 -0.24 0.00 0.02 0.00 0.00 55.97 55.15 1xfl s LYS 101 Cb -0.09 -2.67 -0.18 0.00 -0.52 0.00 0.00 37.83 34.37 1xfl s LYS 101 CO 0.32 -0.60 1.11 -0.22 -0.92 0.00 0.00 175.35 175.04 1xfl h LYS 102 N 7.90 -0.15 -0.01 1.68 3.11 -2.00 -2.48 116.57 124.62 1xfl h LYS 102 Ca -0.18 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.59 1xfl h LYS 102 Cb 1.06 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.33 1xfl h LYS 102 CO 0.43 0.30 -0.32 0.22 -2.81 0.00 0.00 179.45 177.27 1xfl h ASP 103 N -0.68 0.31 -0.03 4.20 3.58 -2.01 -3.30 116.42 118.48 1xfl h ASP 103 Ca -0.02 -0.74 -0.09 0.00 0.42 0.00 0.00 57.03 56.60 1xfl h ASP 103 Cb 0.52 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1xfl h ASP 103 CO 0.03 1.01 -0.24 -0.08 -2.88 0.00 0.00 179.24 177.08 1xfl h GLU 104 N -0.36 0.44 -0.67 0.28 4.22 -2.00 -2.42 114.58 114.06 1xfl h GLU 104 Ca -0.04 -0.16 0.08 0.00 0.08 0.00 0.00 59.36 59.33 1xfl h GLU 104 Cb 1.05 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.20 1xfl h GLU 104 CO 0.06 0.65 0.33 1.25 -2.18 0.00 0.00 179.01 179.12 1xfl h LEU 105 N 0.39 0.43 -1.08 1.64 5.85 -1.54 -0.01 115.31 120.99 1xfl h LEU 105 Ca 0.06 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1xfl h LEU 105 Cb 0.63 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1xfl h LEU 105 CO 0.05 0.26 0.62 1.56 -0.34 0.00 0.00 178.44 180.58 1xfl h GLN 106 N 0.57 1.05 -0.21 1.25 1.08 -1.51 0.29 115.11 117.64 1xfl h GLN 106 Ca 0.32 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.31 1xfl h GLN 106 Cb 0.32 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1xfl h GLN 106 CO -0.25 0.70 -0.49 0.77 -0.95 0.00 0.00 178.83 178.61 1xfl h SER 107 N 1.08 0.62 0.08 1.46 0.02 -0.97 0.95 113.55 116.79 1xfl h SER 107 Ca 0.42 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1xfl h SER 107 Cb 0.21 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1xfl h SER 107 CO -0.17 1.00 -0.51 0.74 -1.14 0.00 0.00 176.83 176.76 1xfl h THR 108 N 0.45 1.32 -0.18 -2.27 2.02 0.02 -2.08 112.91 112.19 1xfl h THR 108 Ca 0.02 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 1xfl h THR 108 Cb 1.01 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1xfl h THR 108 CO 0.09 0.54 -0.02 0.40 0.37 0.00 0.00 175.52 176.90 1xfl h ILE 109 N 0.38 1.27 -0.16 3.11 2.04 -0.10 -2.89 117.51 121.15 1xfl h ILE 109 Ca 0.01 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1xfl h ILE 109 Cb 1.02 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1xfl h ILE 109 CO 0.09 0.28 0.11 0.00 0.00 0.00 0.00 178.15 178.63 1xfl h ALA 110 N 0.76 1.89 -0.62 1.87 0.00 -0.77 0.29 119.26 122.68 1xfl h ALA 110 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xfl h ALA 110 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1xfl h ALA 110 CO 0.01 0.10 0.37 -0.22 0.00 0.00 0.00 179.25 179.51 1xfl h LYS 111 N 0.21 0.70 0.00 0.00 3.64 -1.17 -2.65 116.57 117.30 1xfl h LYS 111 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xfl h LYS 111 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1xfl h LYS 111 CO -0.01 0.46 -0.74 0.45 -2.27 0.00 0.00 179.45 177.34 1xfl h HIS 112 N 0.72 0.00 -2.46 1.91 3.86 -1.00 -3.44 115.15 114.74 1xfl h HIS 112 Ca 0.26 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.94 1xfl h HIS 112 Cb 0.07 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 1xfl h HIS 112 CO -0.06 0.00 1.16 -1.17 0.86 0.00 0.00 177.93 178.72 1xfl s LEU 113 N -5.02 3.30 0.00 2.43 1.98 0.86 -5.11 118.68 117.13 1xfl s LEU 113 Ca 0.03 0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.38 1xfl s LEU 113 Cb 0.10 -2.78 0.00 0.00 0.66 0.00 0.00 46.19 44.17 1xfl s LEU 113 CO 0.75 -1.93 0.00 0.00 -1.89 0.00 0.00 176.35 173.28