#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 3.52 0.49 -5.12 0.00 -1.26 -5.01 121.76 114.39 1xfl s ALA 2 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.03 1xfl s ALA 2 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1xfl s ALA 2 CO 0.00 -1.43 0.14 -1.12 0.00 0.00 0.00 175.76 173.34 1xfl s SER 3 N 1.75 4.28 -0.83 0.00 0.01 -1.26 -5.02 113.70 112.62 1xfl s SER 3 Ca 0.47 -1.41 -0.25 0.00 1.31 0.00 0.00 55.95 56.07 1xfl s SER 3 Cb -0.14 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1xfl s SER 3 CO 0.15 -0.81 1.63 -0.70 0.41 0.00 0.00 173.24 173.92 1xfl s GLU 4 N -3.96 3.01 0.00 12.44 2.12 -1.26 -4.90 118.70 126.15 1xfl s GLU 4 Ca 0.23 -0.31 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 1xfl s GLU 4 Cb 0.02 -4.79 -0.01 0.00 0.26 0.00 0.00 34.13 29.61 1xfl s GLU 4 CO 0.13 -2.62 0.02 -1.83 -0.54 0.00 0.00 175.26 170.42 1xfl s GLU 5 N 6.16 0.23 0.00 4.30 -1.05 -1.26 -4.83 118.70 122.25 1xfl s GLU 5 Ca 0.55 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.05 1xfl s GLU 5 Cb -0.06 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1xfl s GLU 5 CO 0.05 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.63 1xfl n GLY 6 N 2.15 0.63 3.07 -3.83 0.00 -1.20 -4.76 105.19 101.24 1xfl n GLY 6 Ca -0.19 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 1.00 -0.00 1.61 -2.07 -1.26 -4.76 119.66 113.86 1xfl s GLN 7 Ca 0.00 -0.42 0.07 0.00 -1.82 0.00 0.00 55.36 53.19 1xfl s GLN 7 Cb 0.00 -0.96 -0.03 0.00 -1.09 0.00 0.00 33.01 30.94 1xfl s GLN 7 CO 0.00 0.24 -0.21 0.08 -1.32 0.00 0.00 175.29 174.09 1xfl s VAL 8 N -0.21 2.55 -0.39 3.63 1.01 -1.26 -4.86 120.40 120.87 1xfl s VAL 8 Ca 0.03 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 1xfl s VAL 8 Cb -0.05 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1xfl s VAL 8 CO -0.00 0.49 0.91 -0.63 0.00 0.00 0.00 175.10 175.87 1xfl s ILE 9 N -0.75 4.57 -0.38 2.22 1.01 -0.50 -4.80 121.20 122.57 1xfl s ILE 9 Ca 0.12 1.06 -0.18 0.00 0.00 0.00 0.00 60.65 61.65 1xfl s ILE 9 Cb -0.10 -4.34 0.01 0.00 0.01 0.00 0.00 42.46 38.03 1xfl s ILE 9 CO 0.01 -0.59 0.48 0.00 0.00 0.00 0.00 174.94 174.84 1xfl s ALA 10 N 3.50 3.45 0.21 9.38 0.00 -1.26 -0.54 121.76 136.49 1xfl s ALA 10 Ca 0.37 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 1xfl s ALA 10 Cb -0.12 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 1xfl s ALA 10 CO 0.20 -1.38 0.63 0.00 0.00 0.00 0.00 175.76 175.21 1xfl n HIS 12 N 0.47 0.00 -3.85 0.00 8.25 -1.26 -4.55 115.22 114.27 1xfl n HIS 12 Ca -0.02 -0.39 -0.12 0.00 -0.26 0.00 0.00 57.72 56.93 1xfl n HIS 12 Cb 0.52 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.77 0.05 0.10 1.59 -4.23 -1.26 -4.89 115.64 106.23 1xfl s THR 13 Ca 0.00 -0.41 0.25 0.00 -1.18 0.00 0.00 61.69 60.35 1xfl s THR 13 Cb 0.00 -0.35 0.25 0.00 1.34 0.00 0.00 72.50 73.73 1xfl s THR 13 CO 0.00 -0.22 1.82 1.62 -0.54 0.00 0.00 174.62 177.30 1xfl h VAL 14 N 4.52 0.49 0.08 2.29 3.04 -1.98 -1.64 116.25 123.05 1xfl h VAL 14 Ca -0.28 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1xfl h VAL 14 Cb 1.20 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1xfl h VAL 14 CO 0.40 0.20 -0.04 -0.08 -1.01 0.00 0.00 177.57 177.05 1xfl h GLU 15 N 0.00 -0.10 -0.48 4.17 4.57 -2.00 0.03 114.58 120.77 1xfl h GLU 15 Ca -0.00 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1xfl h GLU 15 Cb 0.75 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1xfl h GLU 15 CO 0.03 0.08 -0.17 1.15 -1.18 0.00 0.00 179.01 178.92 1xfl h THR 16 N -0.26 1.27 -0.13 0.32 2.02 -1.96 -3.01 112.91 111.15 1xfl h THR 16 Ca -0.01 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 65.90 1xfl h THR 16 Cb 0.22 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1xfl h THR 16 CO 0.02 0.46 -0.23 -0.25 0.37 0.00 0.00 175.52 175.89 1xfl h TRP 17 N 0.82 -0.60 -0.79 3.16 2.91 -1.11 0.36 115.95 120.69 1xfl h TRP 17 Ca 0.12 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 1xfl h TRP 17 Cb 0.74 0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 29.63 1xfl h TRP 17 CO 0.05 -0.31 0.47 -0.97 -1.03 0.00 0.00 178.44 176.65 1xfl h ASN 18 N -0.29 0.96 -0.27 2.65 -1.24 -1.02 -1.90 115.58 114.48 1xfl h ASN 18 Ca 0.10 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1xfl h ASN 18 Cb 0.44 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1xfl h ASN 18 CO -0.30 0.75 0.09 -0.08 -1.29 0.00 0.00 177.43 176.60 1xfl h GLU 19 N 1.10 0.41 -0.63 6.67 4.81 -1.24 0.20 114.58 125.89 1xfl h GLU 19 Ca 0.28 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1xfl h GLU 19 Cb -0.03 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1xfl h GLU 19 CO -0.05 0.46 0.40 1.96 -0.73 0.00 0.00 179.01 181.04 1xfl h GLN 20 N 0.27 0.85 -0.31 1.92 1.08 -0.50 -0.48 115.11 117.93 1xfl h GLN 20 Ca 0.09 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1xfl h GLN 20 Cb 0.21 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1xfl h GLN 20 CO -0.00 0.59 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.39 1xfl h LEU 21 N 0.86 0.55 -0.51 1.46 3.38 -1.21 -0.30 115.31 119.54 1xfl h LEU 21 Ca 0.23 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1xfl h LEU 21 Cb -0.06 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1xfl h LEU 21 CO -0.05 0.72 0.16 -0.61 0.09 0.00 0.00 178.44 178.76 1xfl h GLN 22 N 0.36 0.32 -0.58 1.13 4.15 -0.62 0.44 115.11 120.31 1xfl h GLN 22 Ca 0.09 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1xfl h GLN 22 Cb 0.44 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1xfl h GLN 22 CO 0.02 0.21 0.28 -0.22 -1.93 0.00 0.00 178.83 177.19 1xfl h LYS 23 N 0.33 0.83 -0.28 1.69 3.64 -0.88 0.77 116.57 122.68 1xfl h LYS 23 Ca 0.25 -0.12 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1xfl h LYS 23 Cb 0.28 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1xfl h LYS 23 CO -0.27 0.67 -0.47 0.00 -2.27 0.00 0.00 179.45 177.11 1xfl h ALA 24 N 1.11 0.65 0.29 5.00 0.00 -0.31 -1.93 119.26 124.07 1xfl h ALA 24 Ca 0.20 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1xfl h ALA 24 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xfl h ALA 24 CO -0.03 0.68 -0.14 -0.97 0.00 0.00 0.00 179.25 178.79 1xfl h ASN 25 N 0.58 -0.33 -0.45 0.00 -0.73 0.12 0.41 115.58 115.18 1xfl h ASN 25 Ca 0.03 -0.15 -0.06 0.00 1.87 0.00 0.00 56.30 57.99 1xfl h ASN 25 Cb 1.04 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.69 1xfl h ASN 25 CO 0.10 -0.02 0.09 -0.08 -0.37 0.00 0.00 177.43 177.15 1xfl h GLU 26 N -0.65 0.81 0.00 6.67 4.81 -0.90 -2.06 114.58 123.27 1xfl h GLU 26 Ca -0.04 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1xfl h GLU 26 Cb 0.46 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xfl h GLU 26 CO 0.06 0.76 -0.19 0.43 -0.73 0.00 0.00 179.01 179.35 1xfl n SER 27 N -4.26 0.20 -2.48 1.04 7.64 -0.73 -4.92 113.62 110.12 1xfl n SER 27 Ca 0.03 0.23 -0.20 0.00 1.01 0.00 0.00 58.87 59.95 1xfl n SER 27 Cb 0.25 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.53 -3.02 -3.26 1.43 5.02 0.01 -4.98 118.16 111.83 1xfl n LYS 28 Ca 0.06 0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 56.88 1xfl n LYS 28 Cb 0.34 -5.52 -0.06 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.04 4.75 0.04 -0.18 2.01 -0.45 -4.23 115.64 114.54 1xfl s THR 29 Ca 0.14 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.84 1xfl s THR 29 Cb -0.06 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1xfl s THR 29 CO 0.17 0.24 1.26 -0.22 -0.69 0.00 0.00 174.62 175.38 1xfl s LEU 30 N -1.94 4.35 -0.03 4.42 0.20 -1.26 -2.81 118.68 121.60 1xfl s LEU 30 Ca 0.39 2.04 0.04 0.00 0.69 0.00 0.00 54.13 57.30 1xfl s LEU 30 Cb -0.16 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.02 1xfl s LEU 30 CO 0.20 -0.56 -0.16 0.54 -0.29 0.00 0.00 176.35 176.08 1xfl s VAL 31 N 1.48 1.36 -0.07 1.68 0.11 -1.19 -1.86 120.40 121.91 1xfl s VAL 31 Ca 0.60 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1xfl s VAL 31 Cb -0.30 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1xfl s VAL 31 CO 0.28 0.39 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.59 1xfl s VAL 32 N -0.08 1.38 -0.07 2.04 1.01 0.44 -1.00 120.40 124.13 1xfl s VAL 32 Ca -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1xfl s VAL 32 Cb -0.10 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1xfl s VAL 32 CO 0.01 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 174.72 1xfl s VAL 33 N 0.54 1.09 -0.19 2.92 1.01 0.32 -0.97 120.40 125.13 1xfl s VAL 33 Ca -0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1xfl s VAL 33 Cb -0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1xfl s VAL 33 CO 0.05 0.35 0.06 1.51 0.00 0.00 0.00 175.10 177.06 1xfl s ASP 34 N 0.72 5.51 -0.31 3.32 -4.77 -0.62 -0.03 116.67 120.49 1xfl s ASP 34 Ca -0.14 0.03 -0.14 0.00 -3.30 0.00 0.00 52.55 49.01 1xfl s ASP 34 Cb -0.16 -1.95 -0.03 0.00 -1.09 0.00 0.00 42.92 39.70 1xfl s ASP 34 CO 0.03 0.15 0.30 -0.36 0.70 0.00 0.00 175.17 175.98 1xfl s PHE 35 N 0.52 3.22 0.34 2.11 0.40 0.79 -0.95 117.98 124.42 1xfl s PHE 35 Ca 0.03 0.08 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1xfl s PHE 35 Cb -0.13 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 40.89 1xfl s PHE 35 CO 0.01 -0.30 0.62 -0.08 0.70 0.00 0.00 175.22 176.17 1xfl s THR 36 N 1.91 0.00 -0.02 0.64 -1.32 -0.20 -1.12 115.64 115.53 1xfl s THR 36 Ca 0.10 -1.29 0.01 0.00 -1.21 0.00 0.00 61.69 59.31 1xfl s THR 36 Cb -0.16 -2.63 0.01 0.00 -1.51 0.00 0.00 72.50 68.20 1xfl s THR 36 CO 0.11 0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.48 1xfl s ALA 37 N -2.94 0.51 0.56 11.08 0.00 -1.26 0.20 121.76 129.92 1xfl s ALA 37 Ca 0.22 -0.09 0.25 0.00 0.00 0.00 0.00 51.96 52.34 1xfl s ALA 37 Cb -0.03 -0.26 1.64 0.00 0.00 0.00 0.00 23.12 24.47 1xfl s ALA 37 CO 0.14 0.04 2.22 0.77 0.00 0.00 0.00 175.76 178.93 1xfl h SER 38 N 6.66 0.00 0.52 0.00 0.02 -1.96 -0.96 113.55 117.85 1xfl h SER 38 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1xfl h SER 38 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1xfl h SER 38 CO 0.49 0.00 -0.09 -2.67 -1.14 0.00 0.00 176.83 173.42 1xfl n TRP 39 N -4.07 0.00 -3.15 3.45 4.27 -1.26 -4.80 117.44 111.88 1xfl n TRP 39 Ca -0.03 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.18 1xfl n TRP 39 Cb 0.09 -0.26 -0.06 0.00 -1.36 0.00 0.00 31.31 29.71 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 8.05 -0.69 1.91 0.00 0.00 -1.87 0.18 103.07 110.65 1xfl h GLY 41 Ca -0.32 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.31 1xfl h GLY 41 CO 0.76 -0.26 0.05 -0.56 0.00 0.00 0.00 176.54 176.53 1xfl h PRO 42 N -0.04 0.08 -0.38 4.80 0.13 -1.97 0.21 132.00 134.83 1xfl h PRO 42 Ca -0.00 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.97 1xfl h PRO 42 Cb 0.03 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 1xfl h PRO 42 CO -0.00 0.05 -0.36 0.00 -0.23 0.00 0.00 178.00 177.46 1xfl h ARG 44 N 0.74 0.00 -0.03 0.00 2.43 0.24 -2.84 114.38 114.93 1xfl h ARG 44 Ca 0.07 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1xfl h ARG 44 Cb 0.94 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1xfl h ARG 44 CO 0.09 0.88 -0.41 0.35 -1.51 0.00 0.00 179.97 179.36 1xfl h PHE 45 N 0.00 0.07 0.00 2.20 3.57 -0.77 -2.69 116.94 119.32 1xfl h PHE 45 Ca -0.01 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1xfl h PHE 45 Cb 1.61 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.33 1xfl h PHE 45 CO 0.00 0.46 -0.57 1.51 -2.23 0.00 0.00 178.31 177.48 1xfl n ILE 46 N -4.04 0.37 -0.05 1.41 0.13 -0.30 -4.20 119.36 112.68 1xfl n ILE 46 Ca -0.02 -0.27 -0.09 0.00 -1.10 0.00 0.00 62.75 61.28 1xfl n ILE 46 Cb 0.45 -0.16 -0.02 0.00 -0.84 0.00 0.00 39.64 39.07 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 2.52 0.25 -0.38 1.51 0.00 -1.22 -1.63 119.26 120.31 1xfl h ALA 47 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xfl h ALA 47 Cb 0.74 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1xfl h ALA 47 CO 0.00 -0.34 0.25 -1.00 0.00 0.00 0.00 179.25 178.16 1xfl h PRO 48 N 0.18 0.40 -0.25 0.00 0.13 -1.73 0.13 132.00 130.86 1xfl h PRO 48 Ca 0.10 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1xfl h PRO 48 Cb 0.07 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 1xfl h PRO 48 CO -0.10 0.27 -0.37 0.35 -0.23 0.00 0.00 178.00 177.91 1xfl h PHE 49 N 0.41 0.66 -0.06 1.56 3.57 -1.63 0.24 116.94 121.69 1xfl h PHE 49 Ca 0.15 -0.18 -0.17 0.00 3.53 0.00 0.00 57.97 61.30 1xfl h PHE 49 Cb 0.09 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1xfl h PHE 49 CO -0.00 0.85 -0.69 0.35 -2.23 0.00 0.00 178.31 176.60 1xfl h PHE 50 N 0.47 0.36 -0.34 0.41 3.57 -0.33 -0.38 116.94 120.70 1xfl h PHE 50 Ca 0.05 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 1xfl h PHE 50 Cb 0.86 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1xfl h PHE 50 CO 0.03 0.87 -0.25 0.00 -2.23 0.00 0.00 178.31 176.73 1xfl h ALA 51 N 1.09 0.92 -0.29 2.41 0.00 -0.29 -0.53 119.26 122.56 1xfl h ALA 51 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xfl h ALA 51 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xfl h ALA 51 CO 0.11 0.62 0.15 0.22 0.00 0.00 0.00 179.25 180.34 1xfl h ASP 52 N 0.59 0.37 -0.52 0.00 3.58 -0.30 -1.06 116.42 119.09 1xfl h ASP 52 Ca 0.08 -0.11 0.09 0.00 0.42 0.00 0.00 57.03 57.51 1xfl h ASP 52 Cb 0.74 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.62 1xfl h ASP 52 CO 0.06 0.37 0.11 0.25 -2.88 0.00 0.00 179.24 177.15 1xfl h LEU 53 N 0.35 0.01 -1.84 2.28 6.46 -0.81 0.36 115.31 122.12 1xfl h LEU 53 Ca 0.10 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1xfl h LEU 53 Cb 0.09 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1xfl h LEU 53 CO -0.01 0.03 0.06 0.00 -0.62 0.00 0.00 178.44 177.89 1xfl h ALA 54 N 1.40 1.87 0.11 1.25 0.00 -0.65 0.21 119.26 123.46 1xfl h ALA 54 Ca 0.26 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.86 1xfl h ALA 54 Cb 0.35 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.12 1xfl h ALA 54 CO -0.34 0.11 -1.18 -0.22 0.00 0.00 0.00 179.25 177.62 1xfl h LYS 55 N 0.17 0.60 -0.34 0.00 3.64 0.31 -3.18 116.57 117.77 1xfl h LYS 55 Ca 0.04 -0.80 -0.17 0.00 -1.27 0.00 0.00 60.65 58.45 1xfl h LYS 55 Cb 0.02 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xfl h LYS 55 CO -0.01 1.36 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.85 1xfl h LYS 56 N 0.22 0.90 -3.37 1.90 3.64 0.33 -3.34 116.57 116.85 1xfl h LYS 56 Ca -0.18 -0.52 -0.68 0.00 -1.27 0.00 0.00 60.65 58.00 1xfl h LYS 56 Cb 1.86 0.04 -0.37 0.00 -0.41 0.00 0.00 32.23 33.35 1xfl h LYS 56 CO 0.23 1.17 -0.36 -0.51 -2.27 0.00 0.00 179.45 177.71 1xfl s LEU 57 N -8.78 5.13 0.00 5.20 1.02 0.68 -4.91 118.68 117.03 1xfl s LEU 57 Ca -0.11 -3.33 0.24 0.00 0.02 0.00 0.00 54.13 50.95 1xfl s LEU 57 Cb 0.11 -1.80 1.14 0.00 0.02 0.00 0.00 46.19 45.65 1xfl s LEU 57 CO 0.89 -0.24 1.77 -0.81 0.02 0.00 0.00 176.35 177.98 1xfl n PRO 58 N 2.79 1.39 -0.58 1.29 -0.04 -1.22 -3.34 135.00 135.30 1xfl n PRO 58 Ca 0.14 -0.58 0.08 0.00 -0.04 0.00 0.00 63.50 63.10 1xfl n PRO 58 Cb 0.36 -1.41 0.32 0.00 -0.04 0.00 0.00 33.50 32.73 1xfl n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xfl n ASN 59 N -0.24 4.51 -4.16 3.54 5.15 -1.26 -4.89 115.26 117.90 1xfl n ASN 59 Ca 0.18 -2.67 -0.26 0.00 -0.60 0.00 0.00 54.58 51.22 1xfl n ASN 59 Cb 0.23 -0.55 -0.16 0.00 -0.53 0.00 0.00 39.78 38.77 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 -2.24 1.49 -0.33 3.44 1.01 -1.21 -4.82 120.40 117.74 1xfl s VAL 60 Ca 0.46 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1xfl s VAL 60 Cb 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1xfl s VAL 60 CO 0.17 0.43 0.73 -0.22 0.00 0.00 0.00 175.10 176.21 1xfl s LEU 61 N -0.08 4.14 -0.07 3.92 2.96 -0.78 -4.97 118.68 123.81 1xfl s LEU 61 Ca -0.01 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1xfl s LEU 61 Cb -0.11 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 1xfl s LEU 61 CO 0.02 -0.63 -0.10 -0.36 -1.32 0.00 0.00 176.35 173.96 1xfl s PHE 62 N 2.90 2.83 0.05 5.38 0.08 -1.26 -0.42 117.98 127.54 1xfl s PHE 62 Ca 0.29 -0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.27 1xfl s PHE 62 Cb -0.14 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1xfl s PHE 62 CO 0.14 0.21 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.84 1xfl s LEU 63 N -0.64 2.23 -0.12 -0.37 1.02 -0.14 -1.40 118.68 119.25 1xfl s LEU 63 Ca 0.10 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1xfl s LEU 63 Cb -0.11 -0.45 -0.00 0.00 0.02 0.00 0.00 46.19 45.64 1xfl s LEU 63 CO 0.01 -0.06 -0.20 -0.75 0.02 0.00 0.00 176.35 175.37 1xfl s LYS 64 N -1.45 3.13 -0.22 1.70 2.20 0.30 -1.58 119.74 123.82 1xfl s LYS 64 Ca -0.02 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.76 1xfl s LYS 64 Cb -0.09 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.81 1xfl s LYS 64 CO 0.01 0.11 -0.11 0.08 -0.36 0.00 0.00 175.35 175.09 1xfl s VAL 65 N 0.53 2.64 -0.40 4.02 1.01 -0.12 -2.32 120.40 125.75 1xfl s VAL 65 Ca -0.13 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 1xfl s VAL 65 Cb -0.17 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1xfl s VAL 65 CO 0.04 0.36 0.88 -0.62 0.00 0.00 0.00 175.10 175.76 1xfl s ASP 66 N 1.33 6.57 0.09 3.32 -1.08 -1.24 -1.03 116.67 124.63 1xfl s ASP 66 Ca 0.03 0.32 0.19 0.00 -0.52 0.00 0.00 52.55 52.57 1xfl s ASP 66 Cb -0.15 -2.44 0.80 0.00 -1.46 0.00 0.00 42.92 39.67 1xfl s ASP 66 CO -0.07 -0.90 1.60 0.35 0.52 0.00 0.00 175.17 176.67 1xfl n THR 67 N 6.09 0.84 0.05 1.71 -2.24 0.13 0.24 114.28 121.10 1xfl n THR 67 Ca 0.05 0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.83 1xfl n THR 67 Cb 0.48 -0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.45 0.52 3.42 3.58 -1.91 -3.26 116.42 119.22 1xfl h ASP 68 Ca 0.00 -0.95 -0.03 0.00 0.42 0.00 0.00 57.03 56.47 1xfl h ASP 68 Cb 0.33 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.24 1xfl h ASP 68 CO 0.00 1.39 -0.25 -0.33 -2.88 0.00 0.00 179.24 177.17 1xfl h GLU 69 N -0.39 -0.67 -3.55 0.28 5.08 -1.81 -3.38 114.58 110.15 1xfl h GLU 69 Ca -0.14 0.05 -0.79 0.00 -1.00 0.00 0.00 59.36 57.47 1xfl h GLU 69 Cb 1.63 0.15 -0.26 0.00 0.50 0.00 0.00 28.75 30.77 1xfl h GLU 69 CO 0.15 -0.43 0.75 1.28 -1.00 0.00 0.00 179.01 179.76 1xfl n LEU 70 N -5.24 5.79 -0.11 1.33 4.77 0.14 -4.79 117.00 118.89 1xfl n LEU 70 Ca -0.09 -4.99 -0.13 0.00 -0.03 0.00 0.00 56.01 50.77 1xfl n LEU 70 Cb 0.28 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 1xfl n LEU 70 CO 0.22 1.36 0.54 0.11 -1.33 0.00 0.00 177.39 178.29 1xfl h LYS 71 N 6.34 0.87 -0.42 3.23 1.57 -1.75 -2.86 116.57 123.56 1xfl h LYS 71 Ca 0.22 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1xfl h LYS 71 Cb 0.79 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1xfl h LYS 71 CO 1.17 1.12 0.16 0.77 -0.57 0.00 0.00 179.45 182.09 1xfl h SER 72 N 0.67 0.60 -0.64 0.86 0.02 -1.90 -0.32 113.55 112.84 1xfl h SER 72 Ca 0.05 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1xfl h SER 72 Cb 0.97 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1xfl h SER 72 CO 0.09 0.62 0.42 0.58 -1.14 0.00 0.00 176.83 177.40 1xfl h VAL 73 N 0.54 1.17 -0.51 2.27 2.07 -1.96 0.95 116.25 120.79 1xfl h VAL 73 Ca 0.14 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1xfl h VAL 73 Cb 0.21 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1xfl h VAL 73 CO -0.01 0.16 0.26 0.00 0.02 0.00 0.00 177.57 178.00 1xfl h ALA 74 N 1.23 0.65 0.00 1.67 0.00 -1.22 -2.48 119.26 119.11 1xfl h ALA 74 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1xfl h ALA 74 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1xfl h ALA 74 CO -0.05 0.19 -0.41 0.66 0.00 0.00 0.00 179.25 179.64 1xfl h SER 75 N 0.67 0.00 -0.51 0.00 4.64 -0.51 0.13 113.55 117.98 1xfl h SER 75 Ca 0.18 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1xfl h SER 75 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1xfl h SER 75 CO -0.03 0.41 0.15 -0.78 -0.87 0.00 0.00 176.83 175.72 1xfl h ASP 76 N 0.00 0.79 -0.42 4.97 3.58 -0.36 -1.29 116.42 123.69 1xfl h ASP 76 Ca -0.00 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1xfl h ASP 76 Cb 0.74 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1xfl h ASP 76 CO 0.05 0.76 0.00 0.79 -2.88 0.00 0.00 179.24 177.97 1xfl n TRP 77 N -4.28 0.56 -1.80 0.28 7.02 -1.12 -4.92 117.44 113.18 1xfl n TRP 77 Ca 0.04 -0.28 -0.17 0.00 -1.02 0.00 0.00 57.50 56.07 1xfl n TRP 77 Cb 0.22 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.06 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 1.08 -0.35 -2.22 6.99 0.00 -0.49 -4.91 120.51 120.61 1xfl n ALA 78 Ca 0.18 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 1xfl n ALA 78 Cb 0.49 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.72 3.50 -0.22 0.00 -1.09 0.41 -4.74 121.20 116.35 1xfl s ILE 79 Ca 0.00 0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1xfl s ILE 79 Cb 0.00 -4.27 -0.20 0.00 -1.58 0.00 0.00 42.46 36.41 1xfl s ILE 79 CO 0.00 -1.21 -0.06 0.00 -1.23 0.00 0.00 174.94 172.43 1xfl n GLN 80 N 9.19 0.67 -3.30 2.79 6.02 -1.26 -4.53 117.38 126.96 1xfl n GLN 80 Ca 0.14 0.15 -0.33 0.00 -0.01 0.00 0.00 57.00 56.95 1xfl n GLN 80 Cb 0.51 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xfl s ALA 81 N -2.52 3.48 -0.02 -1.58 0.00 -1.26 -5.08 121.76 114.78 1xfl s ALA 81 Ca -0.28 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1xfl s ALA 81 Cb 0.08 -2.58 -0.00 0.00 0.00 0.00 0.00 23.12 20.62 1xfl s ALA 81 CO 0.67 0.43 -0.08 -1.64 0.00 0.00 0.00 175.76 175.14 1xfl s MET 82 N -2.65 0.79 0.34 0.00 -1.94 -1.26 -3.96 119.30 110.61 1xfl s MET 82 Ca 0.47 -0.28 -0.08 0.00 -1.71 0.00 0.00 55.69 54.10 1xfl s MET 82 Cb -0.12 -0.76 -0.06 0.00 2.01 0.00 0.00 34.83 35.90 1xfl s MET 82 CO 0.20 0.13 0.65 -1.25 -0.01 0.00 0.00 175.02 174.74 1xfl s PRO 83 N 0.05 3.71 -0.08 2.03 0.04 -1.26 -4.69 135.00 134.79 1xfl s PRO 83 Ca -0.01 0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.28 1xfl s PRO 83 Cb -0.06 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1xfl s PRO 83 CO 0.00 0.11 -0.14 0.99 0.04 0.00 0.00 177.00 178.00 1xfl s THR 84 N -2.20 1.33 -0.25 1.26 2.01 -0.27 -0.25 115.64 117.27 1xfl s THR 84 Ca 0.47 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 1xfl s THR 84 Cb -0.11 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1xfl s THR 84 CO 0.30 0.40 0.10 -0.36 -0.69 0.00 0.00 174.62 174.37 1xfl s PHE 85 N 0.77 3.14 -0.21 4.92 0.08 0.32 -0.15 117.98 126.84 1xfl s PHE 85 Ca -0.12 -0.21 -0.05 0.00 0.12 0.00 0.00 56.93 56.67 1xfl s PHE 85 Cb -0.16 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1xfl s PHE 85 CO 0.02 -0.24 -0.02 1.41 -0.10 0.00 0.00 175.22 176.30 1xfl s MET 86 N 1.49 3.50 -0.26 0.44 -2.45 0.95 0.16 119.30 123.13 1xfl s MET 86 Ca 0.06 -0.57 -0.06 0.00 -1.25 0.00 0.00 55.69 53.87 1xfl s MET 86 Cb -0.15 -3.06 -0.01 0.00 1.25 0.00 0.00 34.83 32.86 1xfl s MET 86 CO 0.05 -0.10 0.04 -0.06 1.05 0.00 0.00 175.02 176.00 1xfl s PHE 87 N 1.27 3.08 0.31 4.11 0.40 0.14 -0.53 117.98 126.77 1xfl s PHE 87 Ca 0.04 -0.82 0.10 0.00 -0.60 0.00 0.00 56.93 55.65 1xfl s PHE 87 Cb -0.15 -2.21 -0.06 0.00 0.51 0.00 0.00 43.02 41.12 1xfl s PHE 87 CO -0.00 -0.51 -0.12 -0.51 0.70 0.00 0.00 175.22 174.78 1xfl s LEU 88 N 1.52 2.73 -0.07 -0.37 1.02 -0.17 -1.20 118.68 122.15 1xfl s LEU 88 Ca 0.04 -1.08 -0.00 0.00 0.02 0.00 0.00 54.13 53.11 1xfl s LEU 88 Cb -0.16 -1.12 0.03 0.00 0.02 0.00 0.00 46.19 44.96 1xfl s LEU 88 CO 0.01 -0.10 -0.03 -0.75 0.02 0.00 0.00 176.35 175.50 1xfl s LYS 89 N -3.59 0.88 -1.36 1.70 2.20 0.12 -3.14 119.74 116.55 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 -1.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.23 1xfl s LYS 89 CO 0.16 -0.23 0.00 0.39 -0.36 0.00 0.00 175.35 175.31 1xfl n GLU 90 N 4.81 -1.10 -0.26 4.03 1.02 -1.12 -0.93 120.64 127.09 1xfl n GLU 90 Ca -0.13 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1xfl n GLU 90 Cb 0.50 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 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 -1.00 0.84 3.80 0.62 0.00 -1.22 -4.28 105.19 103.95 1xfl n GLY 91 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.61 3.88 0.09 1.61 3.01 -0.11 -4.95 119.74 122.66 1xfl s LYS 92 Ca 0.00 -0.01 -0.31 0.00 -1.01 0.00 0.00 55.97 54.64 1xfl s LYS 92 Cb 0.00 -3.30 -0.09 0.00 -1.01 0.00 0.00 37.83 33.43 1xfl s LYS 92 CO 0.00 0.53 1.63 0.42 0.51 0.00 0.00 175.35 178.44 1xfl s ILE 93 N -0.37 2.94 0.04 2.17 1.01 -1.26 0.12 121.20 125.85 1xfl s ILE 93 Ca 0.15 0.48 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 1xfl s ILE 93 Cb -0.13 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1xfl s ILE 93 CO 0.04 0.01 -0.05 0.18 0.00 0.00 0.00 174.94 175.12 1xfl n LEU 94 N 5.19 1.03 -4.17 2.97 4.77 -0.46 -4.87 117.00 121.46 1xfl n LEU 94 Ca 0.15 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1xfl n LEU 94 Cb 0.40 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1xfl n LEU 94 CO 0.62 -0.54 -0.40 -1.81 -1.33 0.00 0.00 177.39 173.94 1xfl s ASP 95 N -5.85 1.28 -0.12 -1.43 1.01 -0.34 -5.02 116.67 106.20 1xfl s ASP 95 Ca -0.04 -0.91 -0.14 0.00 0.71 0.00 0.00 52.55 52.17 1xfl s ASP 95 Cb 0.01 0.05 0.04 0.00 1.01 0.00 0.00 42.92 44.03 1xfl s ASP 95 CO 0.06 -0.37 0.38 -1.59 0.21 0.00 0.00 175.17 173.86 1xfl s LYS 96 N -3.33 0.50 -0.20 8.23 -2.85 -1.26 0.24 119.74 121.08 1xfl s LYS 96 Ca 0.09 0.41 -0.02 0.00 -1.00 0.00 0.00 55.97 55.45 1xfl s LYS 96 Cb 0.01 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1xfl s LYS 96 CO -0.02 -0.08 -0.12 0.08 0.10 0.00 0.00 175.35 175.31 1xfl s VAL 97 N -0.09 2.78 -0.33 1.79 1.01 0.12 -4.95 120.40 120.73 1xfl s VAL 97 Ca -0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1xfl s VAL 97 Cb -0.03 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1xfl s VAL 97 CO 0.01 0.48 0.24 0.54 0.00 0.00 0.00 175.10 176.37 1xfl s VAL 98 N 1.35 5.28 0.00 2.92 0.11 -1.26 -0.52 120.40 128.28 1xfl s VAL 98 Ca 0.05 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1xfl s VAL 98 Cb -0.14 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 1xfl s VAL 98 CO -0.07 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 1xfl n GLY 99 N 5.09 2.27 3.59 6.54 0.00 0.65 -4.87 105.19 118.47 1xfl n GLY 99 Ca -0.13 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.47 2.98 -0.20 4.61 0.00 -1.26 -4.75 121.76 120.68 1xfl s ALA 100 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1xfl s ALA 100 Cb 0.00 -3.98 0.04 0.00 0.00 0.00 0.00 23.12 19.18 1xfl s ALA 100 CO 0.00 -2.54 -0.09 0.15 0.00 0.00 0.00 175.76 173.28 1xfl s LYS 101 N 5.07 1.88 -0.02 0.00 1.02 -1.26 -5.01 119.74 121.42 1xfl s LYS 101 Ca 0.58 -0.82 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 1xfl s LYS 101 Cb -0.12 -2.38 -0.19 0.00 -0.52 0.00 0.00 37.83 34.61 1xfl s LYS 101 CO 0.31 -0.45 1.23 -0.22 -0.92 0.00 0.00 175.35 175.29 1xfl h LYS 102 N 7.99 -0.06 -0.01 1.68 3.64 -2.00 -3.09 116.57 124.72 1xfl h LYS 102 Ca -0.26 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1xfl h LYS 102 Cb 1.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1xfl h LYS 102 CO 0.46 0.40 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.52 1xfl h ASP 103 N -0.55 0.08 0.05 4.20 5.19 -2.00 -3.13 116.42 120.25 1xfl h ASP 103 Ca -0.01 -0.71 -0.07 0.00 -0.62 0.00 0.00 57.03 55.62 1xfl h ASP 103 Cb 0.49 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1xfl h ASP 103 CO 0.01 0.78 -0.22 -0.08 -3.12 0.00 0.00 179.24 176.61 1xfl h GLU 104 N -0.61 0.30 0.00 3.56 4.81 -2.00 -2.25 114.58 118.40 1xfl h GLU 104 Ca -0.01 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1xfl h GLU 104 Cb 0.78 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1xfl h GLU 104 CO 0.02 0.51 -0.04 1.25 -0.73 0.00 0.00 179.01 180.02 1xfl h LEU 105 N 0.28 -0.11 -1.21 1.64 5.85 -1.60 -0.53 115.31 119.62 1xfl h LEU 105 Ca 0.05 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1xfl h LEU 105 Cb 0.54 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1xfl h LEU 105 CO 0.04 -0.06 0.56 1.56 -0.34 0.00 0.00 178.44 180.20 1xfl h GLN 106 N -0.07 0.91 -0.06 1.25 4.20 -1.39 0.28 115.11 120.22 1xfl h GLN 106 Ca 0.02 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1xfl h GLN 106 Cb 0.09 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1xfl h GLN 106 CO -0.04 0.60 -0.44 0.77 -0.67 0.00 0.00 178.83 179.05 1xfl h SER 107 N 0.93 0.13 0.12 1.46 0.02 -0.82 0.12 113.55 115.52 1xfl h SER 107 Ca 0.38 -0.06 -0.23 0.00 -0.84 0.00 0.00 61.79 61.04 1xfl h SER 107 Cb 0.27 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1xfl h SER 107 CO -0.14 0.56 -0.89 0.74 -1.14 0.00 0.00 176.83 175.95 1xfl h THR 108 N 0.11 1.34 -0.07 -2.27 2.02 0.53 -2.26 112.91 112.30 1xfl h THR 108 Ca 0.01 -2.23 -0.00 0.00 0.77 0.00 0.00 66.41 64.96 1xfl h THR 108 Cb 0.82 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1xfl h THR 108 CO 0.06 0.68 0.03 0.40 0.37 0.00 0.00 175.52 177.07 1xfl h ILE 109 N 0.35 1.12 -0.08 3.11 2.04 0.03 -2.36 117.51 121.72 1xfl h ILE 109 Ca -0.08 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1xfl h ILE 109 Cb 1.52 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1xfl h ILE 109 CO 0.17 0.10 -0.12 0.00 0.00 0.00 0.00 178.15 178.30 1xfl h ALA 110 N 0.90 1.66 -0.55 1.87 0.00 -0.81 0.45 119.26 122.78 1xfl h ALA 110 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xfl h ALA 110 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xfl h ALA 110 CO -0.00 0.25 0.30 -0.22 0.00 0.00 0.00 179.25 179.58 1xfl h LYS 111 N 0.12 0.77 0.10 0.00 3.64 -1.12 -3.09 116.57 116.99 1xfl h LYS 111 Ca 0.03 -0.09 -0.28 0.00 -1.27 0.00 0.00 60.65 59.03 1xfl h LYS 111 Cb 0.28 -0.15 0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1xfl h LYS 111 CO 0.02 0.60 -1.19 0.45 -2.27 0.00 0.00 179.45 177.06 1xfl h HIS 112 N 0.74 0.79 -1.64 1.91 3.86 -0.74 -3.41 115.15 116.65 1xfl h HIS 112 Ca 0.19 -0.50 -0.47 0.00 -1.16 0.00 0.00 60.37 58.43 1xfl h HIS 112 Cb 0.06 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1xfl h HIS 112 CO -0.01 1.36 1.16 -1.17 0.86 0.00 0.00 177.93 180.12 1xfl s LEU 113 N -7.64 3.26 0.00 2.43 1.98 0.15 -5.11 118.68 113.75 1xfl s LEU 113 Ca -0.07 -0.27 0.00 0.00 -2.89 0.00 0.00 54.13 50.90 1xfl s LEU 113 Cb 0.07 -2.55 0.00 0.00 0.66 0.00 0.00 46.19 44.37 1xfl s LEU 113 CO 0.91 -2.27 0.00 0.00 -1.89 0.00 0.00 176.35 173.09