#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 2.87 -0.75 3.04 0.00 -1.26 -4.95 121.76 120.71 1xfl s ALA 2 Ca 0.00 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 1xfl s ALA 2 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1xfl s ALA 2 CO 0.00 -3.03 1.60 -1.12 0.00 0.00 0.00 175.76 173.21 1xfl s SER 3 N 3.51 5.75 0.18 0.00 0.01 -1.26 -4.71 113.70 117.18 1xfl s SER 3 Ca 0.35 -0.32 0.21 0.00 1.31 0.00 0.00 55.95 57.49 1xfl s SER 3 Cb -0.09 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1xfl s SER 3 CO 0.17 -2.11 1.02 -0.08 0.41 0.00 0.00 173.24 172.65 1xfl h GLU 4 N 11.97 0.00 -7.30 12.44 4.57 -2.00 -3.47 114.58 130.80 1xfl h GLU 4 Ca -0.16 0.00 -0.50 0.00 -1.18 0.00 0.00 59.36 57.52 1xfl h GLU 4 Cb 1.08 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.72 1xfl h GLU 4 CO 1.27 0.08 0.40 -1.83 -1.18 0.00 0.00 179.01 177.75 1xfl s GLU 5 N -3.24 3.71 0.00 1.92 -1.05 -1.26 -4.20 118.70 114.58 1xfl s GLU 5 Ca -0.01 0.81 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 1xfl s GLU 5 Cb 0.09 -2.10 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 1xfl s GLU 5 CO 0.79 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.94 1xfl n GLY 6 N -2.36 0.72 3.05 -3.83 0.00 0.34 -4.96 105.19 98.14 1xfl n GLY 6 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.40 0.54 -0.02 1.61 -2.07 -1.26 -4.84 119.66 113.22 1xfl s GLN 7 Ca 0.00 -0.64 0.07 0.00 -1.82 0.00 0.00 55.36 52.97 1xfl s GLN 7 Cb 0.00 -0.38 -0.02 0.00 -1.09 0.00 0.00 33.01 31.52 1xfl s GLN 7 CO 0.00 0.08 -0.22 0.08 -1.32 0.00 0.00 175.29 173.91 1xfl s VAL 8 N -1.07 2.40 -0.37 3.63 1.01 -1.26 -4.62 120.40 120.13 1xfl s VAL 8 Ca -0.06 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 1xfl s VAL 8 Cb -0.08 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1xfl s VAL 8 CO 0.00 0.55 0.41 -0.63 0.00 0.00 0.00 175.10 175.43 1xfl s ILE 9 N -0.68 5.12 -0.39 2.22 1.09 0.29 -4.94 121.20 123.90 1xfl s ILE 9 Ca 0.11 -0.02 -0.19 0.00 -1.10 0.00 0.00 60.65 59.45 1xfl s ILE 9 Cb -0.10 -3.90 0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1xfl s ILE 9 CO 0.00 -0.20 0.56 0.00 -0.10 0.00 0.00 174.94 175.20 1xfl s ALA 10 N 2.11 3.42 -0.27 9.38 0.00 -1.26 -0.88 121.76 134.26 1xfl s ALA 10 Ca 0.13 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 1xfl s ALA 10 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1xfl s ALA 10 CO 0.12 -1.50 0.16 0.00 0.00 0.00 0.00 175.76 174.54 1xfl n HIS 12 N 5.02 0.20 -4.04 0.00 8.25 -1.26 -0.89 115.22 122.50 1xfl n HIS 12 Ca -0.15 -0.31 -0.08 0.00 -0.26 0.00 0.00 57.72 56.92 1xfl n HIS 12 Cb 0.52 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.86 0.18 0.06 1.59 -4.23 -1.26 -4.01 115.64 107.11 1xfl s THR 13 Ca 0.13 -1.50 0.16 0.00 -1.18 0.00 0.00 61.69 59.31 1xfl s THR 13 Cb 0.07 -1.12 0.08 0.00 1.34 0.00 0.00 72.50 72.87 1xfl s THR 13 CO 0.10 -0.83 1.60 1.62 -0.54 0.00 0.00 174.62 176.57 1xfl h VAL 14 N 3.60 0.96 0.16 2.29 3.04 -1.97 -2.63 116.25 121.70 1xfl h VAL 14 Ca -0.33 -1.93 -0.01 0.00 -1.01 0.00 0.00 66.70 63.42 1xfl h VAL 14 Cb 1.16 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 32.62 1xfl h VAL 14 CO 0.58 0.47 -0.07 -0.08 -1.01 0.00 0.00 177.57 177.45 1xfl h GLU 15 N 0.00 -0.20 -0.79 4.17 4.57 -1.99 0.10 114.58 120.44 1xfl h GLU 15 Ca -0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1xfl h GLU 15 Cb 1.14 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 1xfl h GLU 15 CO 0.06 0.02 0.40 1.15 -1.18 0.00 0.00 179.01 179.46 1xfl h THR 16 N -0.40 1.24 -0.03 0.32 2.02 -1.99 -0.04 112.91 114.03 1xfl h THR 16 Ca -0.02 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.54 1xfl h THR 16 Cb 0.32 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1xfl h THR 16 CO 0.04 0.28 -0.22 -0.25 0.37 0.00 0.00 175.52 175.73 1xfl h TRP 17 N 1.10 -0.59 -0.41 3.16 2.91 -1.24 -0.43 115.95 120.45 1xfl h TRP 17 Ca 0.27 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.27 1xfl h TRP 17 Cb 0.08 0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 1xfl h TRP 17 CO 0.01 -0.31 0.08 -0.97 -1.03 0.00 0.00 178.44 176.22 1xfl h ASN 18 N -0.33 0.64 -0.29 2.65 -1.24 -0.51 -2.63 115.58 113.86 1xfl h ASN 18 Ca 0.07 -0.25 0.04 0.00 0.71 0.00 0.00 56.30 56.87 1xfl h ASN 18 Cb 0.43 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.28 1xfl h ASN 18 CO -0.22 0.72 0.07 -0.08 -1.29 0.00 0.00 177.43 176.63 1xfl h GLU 19 N 0.53 0.18 -0.59 6.67 4.81 -0.76 0.28 114.58 125.69 1xfl h GLU 19 Ca 0.13 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1xfl h GLU 19 Cb 0.34 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1xfl h GLU 19 CO 0.00 0.12 0.05 1.96 -0.73 0.00 0.00 179.01 180.41 1xfl h GLN 20 N 0.19 0.99 -0.14 1.92 1.08 -1.03 -0.54 115.11 117.57 1xfl h GLN 20 Ca 0.13 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1xfl h GLN 20 Cb 0.13 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1xfl h GLN 20 CO -0.16 0.95 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.49 1xfl h LEU 21 N 0.93 0.34 -0.89 1.46 3.38 -1.08 0.26 115.31 119.69 1xfl h LEU 21 Ca 0.18 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1xfl h LEU 21 Cb 0.47 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1xfl h LEU 21 CO 0.02 0.72 0.58 -0.61 0.09 0.00 0.00 178.44 179.24 1xfl h GLN 22 N -0.04 1.18 -0.10 1.13 4.15 -0.84 0.28 115.11 120.86 1xfl h GLN 22 Ca 0.03 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1xfl h GLN 22 Cb 0.61 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1xfl h GLN 22 CO 0.03 0.79 0.01 -0.22 -1.93 0.00 0.00 178.83 177.50 1xfl h LYS 23 N 1.21 0.18 -0.08 1.69 3.64 -0.99 -1.59 116.57 120.63 1xfl h LYS 23 Ca 0.33 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.55 1xfl h LYS 23 Cb -0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1xfl h LYS 23 CO -0.07 0.41 -0.43 0.00 -2.27 0.00 0.00 179.45 177.10 1xfl h ALA 24 N 0.76 1.14 0.22 5.00 0.00 -0.05 0.52 119.26 126.85 1xfl h ALA 24 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1xfl h ALA 24 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xfl h ALA 24 CO 0.00 0.59 -0.10 -0.97 0.00 0.00 0.00 179.25 178.77 1xfl h ASN 25 N 0.15 -0.25 -0.95 0.00 -0.73 -0.43 0.17 115.58 113.54 1xfl h ASN 25 Ca 0.01 -0.24 0.01 0.00 1.87 0.00 0.00 56.30 57.95 1xfl h ASN 25 Cb 0.82 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.43 1xfl h ASN 25 CO 0.06 0.13 0.63 -0.08 -0.37 0.00 0.00 177.43 177.81 1xfl h GLU 26 N -0.67 1.25 0.00 6.67 4.81 -1.15 -1.80 114.58 123.70 1xfl h GLU 26 Ca -0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xfl h GLU 26 Cb 0.47 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1xfl h GLU 26 CO 0.05 0.83 0.00 0.43 -0.73 0.00 0.00 179.01 179.59 1xfl n SER 27 N -4.42 0.15 -3.32 1.04 7.64 0.16 -4.90 113.62 109.97 1xfl n SER 27 Ca 0.11 0.51 -0.24 0.00 1.01 0.00 0.00 58.87 60.27 1xfl n SER 27 Cb 0.01 -0.55 0.04 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.64 -5.74 -3.18 1.43 5.02 -0.09 -4.97 118.16 108.98 1xfl n LYS 28 Ca 0.07 0.81 -0.35 0.00 -2.02 0.00 0.00 58.31 56.82 1xfl n LYS 28 Cb 0.35 -5.73 -0.06 0.00 -0.02 0.00 0.00 35.03 29.58 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 -3.21 4.66 0.05 -0.18 2.01 -0.39 -4.34 115.64 114.24 1xfl s THR 29 Ca 0.44 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1xfl s THR 29 Cb -0.20 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1xfl s THR 29 CO 0.54 0.18 1.04 -0.22 -0.69 0.00 0.00 174.62 175.47 1xfl s LEU 30 N -2.07 4.40 -0.03 4.42 0.20 -0.70 -2.05 118.68 122.85 1xfl s LEU 30 Ca 0.43 1.80 0.05 0.00 0.69 0.00 0.00 54.13 57.09 1xfl s LEU 30 Cb -0.16 -3.58 -0.01 0.00 -0.43 0.00 0.00 46.19 42.02 1xfl s LEU 30 CO 0.20 -0.28 -0.17 0.54 -0.29 0.00 0.00 176.35 176.35 1xfl s VAL 31 N 0.76 1.40 -0.15 1.68 0.11 -0.99 0.47 120.40 123.67 1xfl s VAL 31 Ca 0.53 -0.72 -0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1xfl s VAL 31 Cb -0.24 -1.19 -0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1xfl s VAL 31 CO 0.29 0.40 -0.14 0.54 -3.33 0.00 0.00 175.10 172.86 1xfl s VAL 32 N -0.13 2.78 -0.20 2.04 0.11 0.80 -0.73 120.40 125.07 1xfl s VAL 32 Ca 0.00 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1xfl s VAL 32 Cb -0.10 -2.18 0.04 0.00 -1.53 0.00 0.00 36.38 32.61 1xfl s VAL 32 CO 0.01 0.51 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.45 1xfl s VAL 33 N 0.78 1.92 -0.24 2.04 1.01 0.87 -0.22 120.40 126.55 1xfl s VAL 33 Ca -0.05 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1xfl s VAL 33 Cb -0.15 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1xfl s VAL 33 CO 0.01 0.30 0.05 -0.62 0.00 0.00 0.00 175.10 174.84 1xfl s ASP 34 N 1.30 5.00 -0.29 3.32 2.15 0.07 0.47 116.67 128.68 1xfl s ASP 34 Ca 0.00 -0.24 -0.18 0.00 0.43 0.00 0.00 52.55 52.56 1xfl s ASP 34 Cb -0.15 -1.89 -0.02 0.00 -0.30 0.00 0.00 42.92 40.55 1xfl s ASP 34 CO -0.10 -0.03 0.54 -0.36 -0.17 0.00 0.00 175.17 175.05 1xfl s PHE 35 N 1.59 3.23 0.36 -5.34 0.40 0.91 0.08 117.98 119.21 1xfl s PHE 35 Ca 0.06 0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 56.80 1xfl s PHE 35 Cb -0.15 -2.83 0.04 0.00 0.51 0.00 0.00 43.02 40.59 1xfl s PHE 35 CO 0.03 -0.38 0.69 -0.08 0.70 0.00 0.00 175.22 176.18 1xfl s THR 36 N 2.40 0.00 0.02 0.64 -1.32 0.03 -0.90 115.64 116.51 1xfl s THR 36 Ca 0.22 -1.17 0.04 0.00 -1.21 0.00 0.00 61.69 59.57 1xfl s THR 36 Cb -0.15 -2.73 -0.02 0.00 -1.51 0.00 0.00 72.50 68.09 1xfl s THR 36 CO 0.11 0.00 -0.13 0.00 -2.21 0.00 0.00 174.62 172.38 1xfl s ALA 37 N -2.69 1.10 0.47 11.08 0.00 -1.26 0.74 121.76 131.21 1xfl s ALA 37 Ca 0.19 -0.72 0.29 0.00 0.00 0.00 0.00 51.96 51.72 1xfl s ALA 37 Cb -0.04 -0.20 1.61 0.00 0.00 0.00 0.00 23.12 24.49 1xfl s ALA 37 CO 0.13 0.23 2.14 1.03 0.00 0.00 0.00 175.76 179.29 1xfl h SER 38 N 5.25 0.00 -0.05 0.00 0.87 -1.98 -1.68 113.55 115.97 1xfl h SER 38 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 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 0.46 0.08 0.00 -2.67 -0.53 0.00 0.00 176.83 174.16 1xfl n TRP 39 N -3.67 0.06 -3.27 2.24 4.27 -1.26 -4.79 117.44 111.03 1xfl n TRP 39 Ca -0.02 -0.03 -0.39 0.00 -3.89 0.00 0.00 57.50 53.17 1xfl n TRP 39 Cb 0.18 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.06 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 8.13 -0.71 1.34 0.00 0.00 -1.88 -1.96 103.07 107.98 1xfl h GLY 41 Ca -0.33 0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.36 1xfl h GLY 41 CO 0.73 -0.26 0.24 -0.56 0.00 0.00 0.00 176.54 176.69 1xfl h PRO 42 N -0.87 0.02 -0.44 4.80 0.13 -1.95 0.34 132.00 134.03 1xfl h PRO 42 Ca -0.07 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.94 1xfl h PRO 42 Cb 0.52 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1xfl h PRO 42 CO 0.11 0.02 -0.21 0.00 -0.23 0.00 0.00 178.00 177.70 1xfl h ARG 44 N 0.76 0.65 -0.17 0.00 1.12 -0.18 -2.85 114.38 113.71 1xfl h ARG 44 Ca 0.10 -0.39 -0.03 0.00 -1.11 0.00 0.00 59.98 58.55 1xfl h ARG 44 Cb 0.74 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.73 1xfl h ARG 44 CO 0.06 1.01 -0.03 0.35 -3.11 0.00 0.00 179.97 178.24 1xfl h PHE 45 N 0.51 0.25 0.00 2.20 3.57 -0.74 -1.91 116.94 120.81 1xfl h PHE 45 Ca 0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xfl h PHE 45 Cb 1.07 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1xfl h PHE 45 CO 0.05 0.29 -0.42 1.51 -2.23 0.00 0.00 178.31 177.51 1xfl n ILE 46 N -4.36 0.04 0.07 1.41 0.13 -0.37 -4.29 119.36 111.99 1xfl n ILE 46 Ca -0.00 -0.03 -0.13 0.00 -1.10 0.00 0.00 62.75 61.49 1xfl n ILE 46 Cb 0.20 0.07 -0.07 0.00 -0.84 0.00 0.00 39.64 38.99 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 2.95 -0.10 -0.55 1.51 0.00 -1.11 -1.87 119.26 120.08 1xfl h ALA 47 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1xfl h ALA 47 Cb 0.53 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1xfl h ALA 47 CO 0.00 -0.54 0.39 -1.00 0.00 0.00 0.00 179.25 178.10 1xfl h PRO 48 N -0.13 0.15 -0.03 0.00 0.13 -1.75 0.26 132.00 130.63 1xfl h PRO 48 Ca -0.01 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.97 1xfl h PRO 48 Cb 0.11 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.21 1xfl h PRO 48 CO 0.02 0.10 -0.52 0.35 -0.23 0.00 0.00 178.00 177.71 1xfl h PHE 49 N 0.15 0.59 -0.26 1.56 3.57 -1.76 -2.21 116.94 118.58 1xfl h PHE 49 Ca 0.26 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1xfl h PHE 49 Cb 0.84 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1xfl h PHE 49 CO -0.00 1.10 -0.04 0.35 -2.23 0.00 0.00 178.31 177.49 1xfl h PHE 50 N -0.09 0.42 -0.10 0.41 3.57 -0.43 -0.87 116.94 119.86 1xfl h PHE 50 Ca -0.06 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 1xfl h PHE 50 Cb 1.22 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1xfl h PHE 50 CO 0.14 0.45 -0.26 0.00 -2.23 0.00 0.00 178.31 176.42 1xfl h ALA 51 N 1.57 1.40 -0.25 2.41 0.00 -0.48 -0.83 119.26 123.09 1xfl h ALA 51 Ca 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1xfl h ALA 51 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xfl h ALA 51 CO 0.01 0.43 0.05 0.22 0.00 0.00 0.00 179.25 179.96 1xfl h ASP 52 N 0.15 0.39 -0.63 0.00 3.58 -0.52 -1.18 116.42 118.20 1xfl h ASP 52 Ca 0.02 -0.24 0.09 0.00 0.42 0.00 0.00 57.03 57.33 1xfl h ASP 52 Cb 0.54 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 1xfl h ASP 52 CO 0.04 0.53 0.26 -0.07 -2.88 0.00 0.00 179.24 177.11 1xfl h LEU 53 N 0.23 0.28 -1.60 2.28 4.07 -1.07 -0.58 115.31 118.92 1xfl h LEU 53 Ca 0.08 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1xfl h LEU 53 Cb 0.30 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1xfl h LEU 53 CO 0.00 0.16 0.03 0.00 -1.08 0.00 0.00 178.44 177.55 1xfl h ALA 54 N 1.42 1.68 0.00 1.53 0.00 -0.64 0.18 119.26 123.44 1xfl h ALA 54 Ca 0.32 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1xfl h ALA 54 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xfl h ALA 54 CO -0.30 0.25 -0.57 -0.22 0.00 0.00 0.00 179.25 178.40 1xfl h LYS 55 N 0.28 0.00 0.04 0.00 3.64 -0.25 0.97 116.57 121.25 1xfl h LYS 55 Ca 0.07 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.07 1xfl h LYS 55 Cb 0.15 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1xfl h LYS 55 CO -0.00 0.57 -2.30 1.17 -2.27 0.00 0.00 179.45 176.63 1xfl n LYS 56 N -3.28 0.68 -3.09 1.90 4.81 -0.32 -4.57 118.16 114.29 1xfl n LYS 56 Ca 0.01 0.21 -0.42 0.00 -0.87 0.00 0.00 58.31 57.24 1xfl n LYS 56 Cb 0.74 -1.58 -0.06 0.00 0.02 0.00 0.00 35.03 34.15 1xfl n LYS 56 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xfl s LEU 57 N -6.79 4.24 0.13 3.14 1.43 0.54 -4.94 118.68 116.44 1xfl s LEU 57 Ca -0.31 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1xfl s LEU 57 Cb 0.09 -2.81 -0.19 0.00 0.03 0.00 0.00 46.19 43.30 1xfl s LEU 57 CO 0.65 -0.61 1.29 1.55 0.23 0.00 0.00 176.35 179.46 1xfl h PRO 58 N 8.47 0.00 -0.01 1.29 0.13 -1.91 -3.32 132.00 136.64 1xfl h PRO 58 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xfl h PRO 58 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xfl h PRO 58 CO 0.85 0.98 -0.32 -1.71 -0.23 0.00 0.00 178.00 177.57 1xfl n ASN 59 N -3.36 1.68 -4.60 1.44 2.85 -1.26 -4.88 115.26 107.14 1xfl n ASN 59 Ca -0.00 -1.32 -0.34 0.00 -0.11 0.00 0.00 54.58 52.81 1xfl n ASN 59 Cb 0.93 0.27 -0.10 0.00 1.24 0.00 0.00 39.78 42.12 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 -2.41 4.36 -0.16 3.44 1.01 -1.25 -1.72 120.40 123.66 1xfl s VAL 60 Ca 0.23 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1xfl s VAL 60 Cb 0.19 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1xfl s VAL 60 CO 0.51 0.51 0.20 -0.22 0.00 0.00 0.00 175.10 176.10 1xfl s LEU 61 N 0.07 4.27 -0.12 3.92 2.96 0.18 -4.93 118.68 125.02 1xfl s LEU 61 Ca 0.03 0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1xfl s LEU 61 Cb -0.13 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1xfl s LEU 61 CO 0.02 0.20 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.77 1xfl s PHE 62 N 0.06 2.83 0.02 5.38 0.08 -1.26 -0.14 117.98 124.95 1xfl s PHE 62 Ca 0.13 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.67 1xfl s PHE 62 Cb -0.12 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1xfl s PHE 62 CO 0.02 -0.14 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.37 1xfl s LEU 63 N 0.23 2.10 -0.22 -0.37 1.02 0.69 -0.55 118.68 121.59 1xfl s LEU 63 Ca -0.08 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 53.76 1xfl s LEU 63 Cb -0.15 -0.54 0.04 0.00 0.02 0.00 0.00 46.19 45.56 1xfl s LEU 63 CO 0.05 0.06 -0.16 -0.54 0.02 0.00 0.00 176.35 175.78 1xfl s LYS 64 N -0.72 2.66 -0.27 1.70 -0.14 -0.06 -0.75 119.74 122.16 1xfl s LYS 64 Ca 0.02 -1.06 -0.08 0.00 -1.36 0.00 0.00 55.97 53.49 1xfl s LYS 64 Cb -0.06 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.35 1xfl s LYS 64 CO 0.00 -0.37 0.09 0.08 -0.76 0.00 0.00 175.35 174.39 1xfl s VAL 65 N 1.21 4.26 -0.45 3.17 1.01 0.11 0.11 120.40 129.82 1xfl s VAL 65 Ca -0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1xfl s VAL 65 Cb -0.16 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1xfl s VAL 65 CO -0.09 0.23 1.25 -0.62 0.00 0.00 0.00 175.10 175.86 1xfl s ASP 66 N 1.59 6.52 0.37 3.32 -1.08 -0.06 -0.79 116.67 126.54 1xfl s ASP 66 Ca 0.05 0.63 0.27 0.00 -0.52 0.00 0.00 52.55 52.99 1xfl s ASP 66 Cb -0.16 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.78 1xfl s ASP 66 CO 0.04 -1.32 1.81 0.74 0.52 0.00 0.00 175.17 176.96 1xfl h THR 67 N 6.31 0.00 0.11 1.71 2.02 -0.00 0.89 112.91 123.95 1xfl h THR 67 Ca -0.25 -0.45 -0.16 0.00 0.77 0.00 0.00 66.41 66.32 1xfl h THR 67 Cb 1.08 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1xfl h THR 67 CO 1.11 0.00 -0.71 -0.78 0.37 0.00 0.00 175.52 175.51 1xfl h ASP 68 N 0.00 0.36 0.02 4.18 3.58 -1.89 -3.01 116.42 119.66 1xfl h ASP 68 Ca 0.00 -0.95 -0.00 0.00 0.42 0.00 0.00 57.03 56.50 1xfl h ASP 68 Cb 0.54 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1xfl h ASP 68 CO 0.00 1.34 -0.01 -0.33 -2.88 0.00 0.00 179.24 177.36 1xfl h GLU 69 N -0.50 -0.02 -1.72 0.28 3.07 -1.84 -3.26 114.58 110.59 1xfl h GLU 69 Ca -0.13 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.16 1xfl h GLU 69 Cb 1.52 0.01 -0.21 0.00 -0.84 0.00 0.00 28.75 29.22 1xfl h GLU 69 CO 0.11 0.35 0.66 -0.11 -1.40 0.00 0.00 179.01 178.62 1xfl n LEU 70 N -4.92 6.97 -0.11 1.33 7.94 0.30 -4.71 117.00 123.79 1xfl n LEU 70 Ca -0.08 -4.15 -0.05 0.00 -1.11 0.00 0.00 56.01 50.62 1xfl n LEU 70 Cb 0.20 -1.11 0.02 0.00 0.53 0.00 0.00 43.42 43.06 1xfl n LEU 70 CO 0.33 1.59 0.82 0.50 -1.11 0.00 0.00 177.39 179.52 1xfl h LYS 71 N 2.50 0.05 -0.25 1.96 3.11 -1.57 0.71 116.57 123.07 1xfl h LYS 71 Ca 0.46 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.20 1xfl h LYS 71 Cb 0.60 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1xfl h LYS 71 CO 1.13 0.03 -0.20 0.77 -2.81 0.00 0.00 179.45 178.37 1xfl h SER 72 N 0.05 0.61 -0.24 4.20 0.02 -1.87 -1.20 113.55 115.11 1xfl h SER 72 Ca 0.18 -0.45 -0.16 0.00 -0.84 0.00 0.00 61.79 60.52 1xfl h SER 72 Cb 0.27 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1xfl h SER 72 CO -0.35 0.94 -0.42 0.58 -1.14 0.00 0.00 176.83 176.43 1xfl h VAL 73 N 0.29 1.28 -0.12 2.27 2.07 -1.89 -2.60 116.25 117.55 1xfl h VAL 73 Ca 0.05 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 1xfl h VAL 73 Cb 0.75 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1xfl h VAL 73 CO 0.05 0.52 -0.13 0.00 0.02 0.00 0.00 177.57 178.04 1xfl h ALA 74 N 0.87 1.56 -0.04 1.67 0.00 -0.81 -0.30 119.26 122.20 1xfl h ALA 74 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1xfl h ALA 74 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xfl h ALA 74 CO 0.10 0.32 -0.28 1.03 0.00 0.00 0.00 179.25 180.42 1xfl h SER 75 N 0.18 0.07 0.16 0.00 0.87 -0.87 -0.29 113.55 113.67 1xfl h SER 75 Ca 0.04 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.39 1xfl h SER 75 Cb 0.35 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1xfl h SER 75 CO 0.02 0.35 -0.69 -0.78 -0.53 0.00 0.00 176.83 175.20 1xfl h ASP 76 N 0.07 0.57 0.00 6.23 3.58 -0.71 -2.41 116.42 123.74 1xfl h ASP 76 Ca 0.01 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1xfl h ASP 76 Cb 0.53 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1xfl h ASP 76 CO 0.04 1.09 0.00 0.79 -2.88 0.00 0.00 179.24 178.28 1xfl n TRP 77 N -3.88 0.00 -1.81 0.28 7.02 -0.80 -4.86 117.44 113.38 1xfl n TRP 77 Ca -0.04 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.27 1xfl n TRP 77 Cb 0.69 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.53 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 -0.82 -0.34 -2.53 6.99 0.00 -0.88 -4.94 120.51 117.99 1xfl n ALA 78 Ca 0.14 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 1xfl n ALA 78 Cb 0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.69 4.29 0.00 0.00 -1.09 -0.17 -4.73 121.20 116.82 1xfl s ILE 79 Ca 0.00 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 1xfl s ILE 79 Cb 0.00 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1xfl s ILE 79 CO 0.00 -0.56 0.00 1.67 -1.23 0.00 0.00 174.94 174.82 1xfl n GLN 80 N 7.23 1.31 -3.58 2.79 7.27 -1.26 -4.56 117.38 126.59 1xfl n GLN 80 Ca 0.13 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.82 1xfl n GLN 80 Cb 0.47 -0.69 -0.11 0.00 2.41 0.00 0.00 30.24 32.32 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 -1.38 3.52 -0.05 1.69 0.00 -1.26 -5.07 121.76 119.22 1xfl s ALA 81 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1xfl s ALA 81 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1xfl s ALA 81 CO 0.00 -0.61 0.01 -1.64 0.00 0.00 0.00 175.76 173.51 1xfl s MET 82 N 1.75 2.92 0.29 0.00 -1.94 -1.26 -3.74 119.30 117.32 1xfl s MET 82 Ca 0.07 -0.48 -0.04 0.00 -1.71 0.00 0.00 55.69 53.53 1xfl s MET 82 Cb -0.16 -2.76 -0.05 0.00 2.01 0.00 0.00 34.83 33.87 1xfl s MET 82 CO 0.11 0.67 0.54 -1.25 -0.01 0.00 0.00 175.02 175.08 1xfl s PRO 83 N -1.17 3.62 -0.15 2.03 0.04 -1.26 -4.48 135.00 133.63 1xfl s PRO 83 Ca 0.16 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1xfl s PRO 83 Cb -0.11 -2.66 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 1xfl s PRO 83 CO 0.06 0.22 -0.15 0.99 0.04 0.00 0.00 177.00 178.16 1xfl s THR 84 N -2.08 2.67 -0.26 1.26 2.01 -0.08 -0.56 115.64 118.61 1xfl s THR 84 Ca 0.43 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 1xfl s THR 84 Cb -0.11 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1xfl s THR 84 CO 0.30 0.52 0.12 -0.36 -0.69 0.00 0.00 174.62 174.51 1xfl s PHE 85 N 0.78 3.15 -0.21 4.92 0.40 0.84 -0.06 117.98 127.81 1xfl s PHE 85 Ca -0.06 -0.16 -0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1xfl s PHE 85 Cb -0.15 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 1xfl s PHE 85 CO 0.00 -0.24 -0.05 1.41 0.70 0.00 0.00 175.22 177.05 1xfl s MET 86 N 1.58 3.41 -0.23 0.44 1.75 0.18 0.43 119.30 126.85 1xfl s MET 86 Ca 0.06 -0.62 -0.06 0.00 -1.25 0.00 0.00 55.69 53.83 1xfl s MET 86 Cb -0.15 -2.98 -0.02 0.00 2.84 0.00 0.00 34.83 34.51 1xfl s MET 86 CO 0.06 -0.12 0.04 -0.06 -0.65 0.00 0.00 175.02 174.29 1xfl s PHE 87 N 1.29 3.06 0.31 4.11 0.40 0.11 -0.09 117.98 127.16 1xfl s PHE 87 Ca 0.03 -0.51 0.09 0.00 -0.60 0.00 0.00 56.93 55.94 1xfl s PHE 87 Cb -0.14 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.14 1xfl s PHE 87 CO -0.02 -0.36 -0.10 -0.51 0.70 0.00 0.00 175.22 174.93 1xfl s LEU 88 N 1.45 2.63 -0.12 -0.37 1.02 0.09 -1.36 118.68 122.02 1xfl s LEU 88 Ca 0.05 -1.17 -0.01 0.00 0.02 0.00 0.00 54.13 53.02 1xfl s LEU 88 Cb -0.15 -0.89 0.04 0.00 0.02 0.00 0.00 46.19 45.21 1xfl s LEU 88 CO 0.02 -0.21 -0.02 -0.75 0.02 0.00 0.00 176.35 175.41 1xfl s LYS 89 N -3.63 0.94 -1.65 1.70 2.20 0.18 -2.35 119.74 117.13 1xfl s LYS 89 Ca 0.31 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1xfl s LYS 89 Cb 0.02 -1.53 0.00 0.00 -1.51 0.00 0.00 37.83 34.81 1xfl s LYS 89 CO 0.14 -0.40 0.00 0.39 -0.36 0.00 0.00 175.35 175.13 1xfl n GLU 90 N 5.04 -1.47 -0.10 4.03 1.02 -0.87 -1.15 120.64 127.14 1xfl n GLU 90 Ca -0.09 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1xfl n GLU 90 Cb 0.49 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 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 -0.98 0.99 3.75 0.62 0.00 -1.22 -4.56 105.19 103.79 1xfl n GLY 91 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.63 4.10 0.10 1.61 2.20 -0.30 -4.96 119.74 121.86 1xfl s LYS 92 Ca 0.00 -0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 1xfl s LYS 92 Cb 0.00 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1xfl s LYS 92 CO 0.00 0.36 1.56 0.42 -0.36 0.00 0.00 175.35 177.32 1xfl s ILE 93 N 0.19 3.01 -0.05 5.43 1.01 -1.26 0.48 121.20 130.01 1xfl s ILE 93 Ca 0.09 0.60 -0.07 0.00 0.00 0.00 0.00 60.65 61.28 1xfl s ILE 93 Cb -0.11 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1xfl s ILE 93 CO -0.01 0.02 -0.13 0.18 0.00 0.00 0.00 174.94 175.00 1xfl n LEU 94 N 4.79 0.95 -3.68 2.97 4.77 -0.47 -4.86 117.00 121.47 1xfl n LEU 94 Ca 0.14 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1xfl n LEU 94 Cb 0.40 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1xfl n LEU 94 CO 0.61 -0.47 0.11 1.51 -1.33 0.00 0.00 177.39 177.83 1xfl s ASP 95 N -5.26 -0.18 0.04 -1.43 -4.77 -0.64 -5.03 116.67 99.39 1xfl s ASP 95 Ca -0.11 -0.30 0.03 0.00 -3.30 0.00 0.00 52.55 48.87 1xfl s ASP 95 Cb 0.01 0.44 -0.02 0.00 -1.09 0.00 0.00 42.92 42.26 1xfl s ASP 95 CO 0.16 -0.78 -0.09 -1.59 0.70 0.00 0.00 175.17 173.57 1xfl s LYS 96 N -3.47 0.59 -0.18 2.11 -2.85 -1.26 0.07 119.74 114.74 1xfl s LYS 96 Ca 0.01 -0.69 0.01 0.00 -1.00 0.00 0.00 55.97 54.30 1xfl s LYS 96 Cb 0.02 -0.44 0.02 0.00 -2.06 0.00 0.00 37.83 35.36 1xfl s LYS 96 CO -0.09 0.10 -0.19 0.08 0.10 0.00 0.00 175.35 175.34 1xfl s VAL 97 N -1.10 2.16 -0.27 1.79 1.01 0.17 -4.98 120.40 119.17 1xfl s VAL 97 Ca -0.06 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1xfl s VAL 97 Cb -0.08 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1xfl s VAL 97 CO 0.01 0.53 0.14 0.54 0.00 0.00 0.00 175.10 176.32 1xfl s VAL 98 N 1.26 4.81 0.00 2.92 0.11 -1.26 -0.11 120.40 128.13 1xfl s VAL 98 Ca 0.04 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1xfl s VAL 98 Cb -0.13 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1xfl s VAL 98 CO -0.11 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1xfl n GLY 99 N 5.00 1.28 3.59 6.54 0.00 0.27 -4.85 105.19 117.02 1xfl n GLY 99 Ca -0.15 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.37 2.97 -0.22 4.61 0.00 -1.26 -4.76 121.76 120.73 1xfl s ALA 100 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1xfl s ALA 100 Cb 0.00 -4.01 0.06 0.00 0.00 0.00 0.00 23.12 19.17 1xfl s ALA 100 CO 0.00 -2.60 -0.06 0.15 0.00 0.00 0.00 175.76 173.25 1xfl s LYS 101 N 5.07 1.64 0.01 0.00 1.02 -1.26 -5.02 119.74 121.19 1xfl s LYS 101 Ca 0.53 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 55.36 1xfl s LYS 101 Cb -0.11 -2.50 -0.19 0.00 -0.52 0.00 0.00 37.83 34.52 1xfl s LYS 101 CO 0.29 -0.56 1.40 0.87 -0.92 0.00 0.00 175.35 176.43 1xfl h LYS 102 N 7.98 -0.02 -0.29 1.68 6.56 -1.99 -1.46 116.57 129.03 1xfl h LYS 102 Ca -0.20 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.21 1xfl h LYS 102 Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1xfl h LYS 102 CO 0.42 0.33 -0.55 0.38 -2.06 0.00 0.00 179.45 177.97 1xfl h ASP 103 N -0.36 0.98 -0.09 0.86 2.03 -2.00 -2.67 116.42 115.18 1xfl h ASP 103 Ca -0.00 -0.53 -0.12 0.00 -0.73 0.00 0.00 57.03 55.65 1xfl h ASP 103 Cb 0.35 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 1xfl h ASP 103 CO 0.00 1.33 -0.35 -0.08 -1.03 0.00 0.00 179.24 179.11 1xfl h GLU 104 N 0.68 0.59 0.05 4.15 4.81 -1.99 -1.58 114.58 121.29 1xfl h GLU 104 Ca 0.01 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1xfl h GLU 104 Cb 1.16 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1xfl h GLU 104 CO 0.12 0.85 -0.02 1.25 -0.73 0.00 0.00 179.01 180.48 1xfl h LEU 105 N 0.49 -0.06 -0.91 1.64 5.85 -1.22 0.53 115.31 121.64 1xfl h LEU 105 Ca 0.05 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1xfl h LEU 105 Cb 0.84 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 1xfl h LEU 105 CO 0.07 -0.04 0.55 1.56 -0.34 0.00 0.00 178.44 180.24 1xfl h GLN 106 N -0.07 0.87 -0.42 1.25 4.20 -1.23 0.25 115.11 119.96 1xfl h GLN 106 Ca -0.01 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1xfl h GLN 106 Cb 0.06 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1xfl h GLN 106 CO 0.01 0.58 -0.23 0.77 -0.67 0.00 0.00 178.83 179.29 1xfl h SER 107 N 0.90 0.87 0.03 1.46 0.02 -0.81 -0.78 113.55 115.24 1xfl h SER 107 Ca 0.44 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1xfl h SER 107 Cb 0.39 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1xfl h SER 107 CO -0.25 1.06 -0.28 0.74 -1.14 0.00 0.00 176.83 176.97 1xfl h THR 108 N 0.74 1.27 0.14 -2.27 2.02 0.42 0.11 112.91 115.33 1xfl h THR 108 Ca 0.10 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1xfl h THR 108 Cb 0.77 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1xfl h THR 108 CO 0.06 0.40 -0.07 0.40 0.37 0.00 0.00 175.52 176.68 1xfl h ILE 109 N 0.34 0.97 -0.13 3.11 2.04 -0.07 -1.79 117.51 121.99 1xfl h ILE 109 Ca 0.05 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1xfl h ILE 109 Cb 0.67 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1xfl h ILE 109 CO 0.05 0.11 -0.09 0.00 0.00 0.00 0.00 178.15 178.22 1xfl h ALA 110 N 0.41 1.61 -0.56 1.87 0.00 -0.93 0.16 119.26 121.80 1xfl h ALA 110 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xfl h ALA 110 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1xfl h ALA 110 CO 0.03 0.29 0.37 -0.22 0.00 0.00 0.00 179.25 179.72 1xfl h LYS 111 N 0.19 0.75 -0.13 0.00 3.64 -0.60 -1.98 116.57 118.44 1xfl h LYS 111 Ca 0.04 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1xfl h LYS 111 Cb 0.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xfl h LYS 111 CO 0.02 0.50 -0.71 0.45 -2.27 0.00 0.00 179.45 177.44 1xfl h HIS 112 N 0.76 0.79 -0.11 1.91 3.86 -0.33 -3.13 115.15 118.91 1xfl h HIS 112 Ca 0.21 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1xfl h HIS 112 Cb -0.08 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1xfl h HIS 112 CO -0.03 1.12 0.00 1.28 0.86 0.00 0.00 177.93 181.16 1xfl n LEU 113 N -3.90 1.71 -0.84 2.43 7.99 0.43 -5.11 117.00 119.72 1xfl n LEU 113 Ca -0.05 -0.86 0.13 0.00 -0.01 0.00 0.00 56.01 55.21 1xfl n LEU 113 Cb 0.70 -0.48 0.21 0.00 -0.11 0.00 0.00 43.42 43.74 1xfl n LEU 113 CO 0.50 0.30 0.69 0.00 -1.51 0.00 0.00 177.39 177.37