#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 0.00 -0.09 3.04 0.00 -1.26 -5.07 120.51 117.13 1xfl n ALA 2 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1xfl n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1xfl n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xfl n SER 3 N 0.00 -0.48 -0.91 0.00 7.64 -1.26 -4.76 113.62 113.85 1xfl n SER 3 Ca 0.00 0.09 0.09 0.00 1.01 0.00 0.00 58.87 60.06 1xfl n SER 3 Cb 0.00 -0.25 0.18 0.00 -1.01 0.00 0.00 64.21 63.13 1xfl n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1xfl n GLU 4 N -2.11 2.27 0.00 1.43 2.13 -1.26 -4.97 120.64 118.13 1xfl n GLU 4 Ca -0.01 -2.07 0.00 0.00 0.66 0.00 0.00 57.16 55.75 1xfl n GLU 4 Cb 0.04 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 1.10 0.13 -0.30 5.31 4.71 -1.26 -4.67 120.64 125.66 1xfl n GLU 5 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1xfl n GLU 5 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 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 4.82 0.83 3.01 0.62 0.00 -1.10 -4.90 105.19 108.47 1xfl n GLY 6 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.65 0.37 -0.11 1.61 -2.07 -1.26 -4.36 119.66 113.18 1xfl s GLN 7 Ca 0.00 -0.65 -0.05 0.00 -1.82 0.00 0.00 55.36 52.83 1xfl s GLN 7 Cb 0.00 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 1xfl s GLN 7 CO 0.00 -0.07 0.10 0.54 -1.32 0.00 0.00 175.29 174.54 1xfl s VAL 8 N -1.73 5.14 -0.36 3.63 0.11 -1.26 -4.65 120.40 121.27 1xfl s VAL 8 Ca -0.13 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.84 1xfl s VAL 8 Cb -0.08 -3.22 -0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1xfl s VAL 8 CO -0.02 0.61 0.33 -0.63 -3.33 0.00 0.00 175.10 172.06 1xfl s ILE 9 N -0.95 5.20 -0.37 7.04 1.09 -0.35 -4.85 121.20 128.02 1xfl s ILE 9 Ca 0.14 -0.18 -0.23 0.00 -1.10 0.00 0.00 60.65 59.28 1xfl s ILE 9 Cb -0.12 -3.84 0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1xfl s ILE 9 CO 0.03 -0.15 0.78 0.00 -0.10 0.00 0.00 174.94 175.51 1xfl s ALA 10 N 1.91 3.43 -0.10 9.38 0.00 -1.26 -0.76 121.76 134.36 1xfl s ALA 10 Ca 0.09 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1xfl s ALA 10 Cb -0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1xfl s ALA 10 CO 0.11 -1.49 0.62 0.00 0.00 0.00 0.00 175.76 175.00 1xfl n HIS 12 N 3.90 0.35 -3.98 0.00 8.25 -1.26 -4.58 115.22 117.90 1xfl n HIS 12 Ca -0.03 -0.28 -0.08 0.00 -0.26 0.00 0.00 57.72 57.07 1xfl n HIS 12 Cb 0.51 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.52 1xfl n HIS 12 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xfl s THR 13 N -1.12 0.18 -0.10 1.59 -4.23 -1.26 -4.86 115.64 105.84 1xfl s THR 13 Ca 0.25 -1.49 0.24 0.00 -1.18 0.00 0.00 61.69 59.52 1xfl s THR 13 Cb 0.15 -1.36 0.27 0.00 1.34 0.00 0.00 72.50 72.89 1xfl s THR 13 CO 0.20 -0.82 1.72 1.62 -0.54 0.00 0.00 174.62 176.80 1xfl h VAL 14 N 3.08 0.33 -0.07 2.29 3.04 -1.98 -2.82 116.25 120.12 1xfl h VAL 14 Ca -0.34 -1.17 0.03 0.00 -1.01 0.00 0.00 66.70 64.21 1xfl h VAL 14 Cb 1.17 1.91 -0.04 0.00 -2.01 0.00 0.00 31.29 32.32 1xfl h VAL 14 CO 0.60 0.16 -0.15 -0.08 -1.01 0.00 0.00 177.57 177.10 1xfl h GLU 15 N 0.00 -0.20 -0.12 4.17 4.81 -2.00 0.88 114.58 122.12 1xfl h GLU 15 Ca -0.00 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.04 1xfl h GLU 15 Cb 0.90 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1xfl h GLU 15 CO 0.02 -0.13 -0.76 1.15 -0.73 0.00 0.00 179.01 178.56 1xfl h THR 16 N -0.21 1.32 0.04 0.32 2.02 -1.98 -3.07 112.91 111.35 1xfl h THR 16 Ca 0.07 -2.05 0.03 0.00 0.77 0.00 0.00 66.41 65.23 1xfl h THR 16 Cb 0.31 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 1xfl h THR 16 CO -0.20 0.63 -0.32 -0.25 0.37 0.00 0.00 175.52 175.76 1xfl h TRP 17 N 0.42 -0.87 -0.79 3.16 2.91 -1.18 0.17 115.95 119.77 1xfl h TRP 17 Ca -0.04 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 1xfl h TRP 17 Cb 1.36 0.38 -0.04 0.00 -0.51 0.00 0.00 29.16 30.36 1xfl h TRP 17 CO 0.07 -0.41 0.33 -0.97 -1.03 0.00 0.00 178.44 176.42 1xfl h ASN 18 N -0.49 1.06 -0.49 2.65 -1.24 -0.93 -2.59 115.58 113.56 1xfl h ASN 18 Ca 0.05 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 1xfl h ASN 18 Cb 0.56 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 1xfl h ASN 18 CO -0.24 0.93 0.23 -0.08 -1.29 0.00 0.00 177.43 176.98 1xfl h GLU 19 N 1.14 0.71 -0.71 6.67 4.81 -1.34 0.87 114.58 126.73 1xfl h GLU 19 Ca 0.26 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1xfl h GLU 19 Cb 0.18 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1xfl h GLU 19 CO -0.03 0.60 0.21 1.96 -0.73 0.00 0.00 179.01 181.03 1xfl h GLN 20 N 0.65 1.12 -0.23 1.92 1.08 -0.72 0.87 115.11 119.80 1xfl h GLN 20 Ca 0.17 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 57.06 1xfl h GLN 20 Cb 0.13 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1xfl h GLN 20 CO -0.02 0.97 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.67 1xfl h LEU 21 N 1.06 0.47 -0.96 1.46 3.38 -1.22 0.12 115.31 119.63 1xfl h LEU 21 Ca 0.23 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1xfl h LEU 21 Cb 0.32 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1xfl h LEU 21 CO -0.00 0.76 0.62 -0.61 0.09 0.00 0.00 178.44 179.30 1xfl h GLN 22 N 0.18 1.15 -0.35 1.13 4.15 -0.59 0.11 115.11 120.90 1xfl h GLN 22 Ca 0.05 -0.07 -0.17 0.00 0.77 0.00 0.00 58.65 59.24 1xfl h GLN 22 Cb 0.58 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1xfl h GLN 22 CO 0.03 0.76 -0.44 -0.22 -1.93 0.00 0.00 178.83 177.03 1xfl h LYS 23 N 1.18 0.91 -0.77 1.69 1.63 -0.65 -0.98 116.57 119.57 1xfl h LYS 23 Ca 0.39 -0.51 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1xfl h LYS 23 Cb 0.06 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1xfl h LYS 23 CO -0.14 1.16 0.30 0.00 -3.45 0.00 0.00 179.45 177.32 1xfl h ALA 24 N 0.76 1.01 -0.00 5.00 0.00 0.00 0.65 119.26 126.68 1xfl h ALA 24 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xfl h ALA 24 Cb 1.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xfl h ALA 24 CO 0.10 0.65 0.00 -0.97 0.00 0.00 0.00 179.25 179.03 1xfl h ASN 25 N 1.13 0.00 -0.97 0.00 -1.24 -0.54 0.45 115.58 114.41 1xfl h ASN 25 Ca 0.26 -0.14 0.03 0.00 0.71 0.00 0.00 56.30 57.15 1xfl h ASN 25 Cb 0.23 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.23 1xfl h ASN 25 CO -0.02 0.14 0.64 -0.08 -1.29 0.00 0.00 177.43 176.83 1xfl h GLU 26 N -0.14 1.22 -0.01 6.67 4.81 -0.91 -0.80 114.58 125.42 1xfl h GLU 26 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xfl h GLU 26 Cb 0.14 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1xfl h GLU 26 CO -0.00 0.81 -0.10 0.43 -0.73 0.00 0.00 179.01 179.42 1xfl n SER 27 N -4.45 0.86 -2.36 1.04 7.64 0.20 -4.90 113.62 111.64 1xfl n SER 27 Ca 0.13 -0.98 -0.16 0.00 1.01 0.00 0.00 58.87 58.87 1xfl n SER 27 Cb 0.07 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.55 -1.96 -4.01 1.43 5.02 -0.04 -4.94 118.16 113.10 1xfl n LYS 28 Ca 0.16 0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 56.90 1xfl n LYS 28 Cb 0.30 -5.39 -0.06 0.00 -0.02 0.00 0.00 35.03 29.86 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 -2.76 5.04 0.26 -0.18 2.01 -0.10 -4.72 115.64 115.18 1xfl s THR 29 Ca 0.00 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1xfl s THR 29 Cb 0.00 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1xfl s THR 29 CO 0.00 0.36 1.04 -0.22 -0.69 0.00 0.00 174.62 175.11 1xfl s LEU 30 N -1.77 4.58 0.05 4.42 0.20 -1.26 -2.05 118.68 122.85 1xfl s LEU 30 Ca 0.24 2.15 0.06 0.00 0.69 0.00 0.00 54.13 57.28 1xfl s LEU 30 Cb -0.12 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 41.99 1xfl s LEU 30 CO 0.15 -0.04 -0.18 0.54 -0.29 0.00 0.00 176.35 176.53 1xfl s VAL 31 N -1.13 1.46 -0.04 1.68 0.11 -1.09 -1.78 120.40 119.61 1xfl s VAL 31 Ca 0.43 -1.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 1xfl s VAL 31 Cb -0.30 -1.30 0.01 0.00 -1.53 0.00 0.00 36.38 33.26 1xfl s VAL 31 CO 0.38 0.09 -0.11 0.54 -3.33 0.00 0.00 175.10 172.66 1xfl s VAL 32 N -0.88 0.99 -0.06 2.04 0.11 0.94 -2.72 120.40 120.82 1xfl s VAL 32 Ca 0.05 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 1xfl s VAL 32 Cb -0.09 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1xfl s VAL 32 CO 0.02 0.31 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.18 1xfl s VAL 33 N 0.39 1.90 -0.21 2.04 1.01 -0.31 -0.37 120.40 124.84 1xfl s VAL 33 Ca -0.08 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 1xfl s VAL 33 Cb -0.12 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1xfl s VAL 33 CO 0.02 0.53 0.03 -0.62 0.00 0.00 0.00 175.10 175.06 1xfl s ASP 34 N -0.10 5.07 -0.26 3.32 2.15 0.00 -0.09 116.67 126.77 1xfl s ASP 34 Ca -0.04 -0.15 -0.04 0.00 0.43 0.00 0.00 52.55 52.74 1xfl s ASP 34 Cb -0.13 -1.88 0.01 0.00 -0.30 0.00 0.00 42.92 40.62 1xfl s ASP 34 CO 0.03 0.05 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.72 1xfl s PHE 35 N 1.09 3.07 0.34 -5.34 0.08 0.29 0.28 117.98 117.78 1xfl s PHE 35 Ca 0.03 -1.16 -0.09 0.00 0.12 0.00 0.00 56.93 55.83 1xfl s PHE 35 Cb -0.14 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1xfl s PHE 35 CO 0.02 -0.62 0.59 -0.08 -0.10 0.00 0.00 175.22 175.03 1xfl s THR 36 N 1.43 0.00 -0.02 0.64 -1.32 -0.95 -0.55 115.64 114.88 1xfl s THR 36 Ca 0.03 -1.36 0.02 0.00 -1.21 0.00 0.00 61.69 59.16 1xfl s THR 36 Cb -0.16 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.19 1xfl s THR 36 CO -0.02 0.00 -0.05 0.00 -2.21 0.00 0.00 174.62 172.34 1xfl s ALA 37 N -2.97 0.51 -0.01 11.08 0.00 -1.26 -1.83 121.76 127.28 1xfl s ALA 37 Ca 0.24 -0.16 0.32 0.00 0.00 0.00 0.00 51.96 52.35 1xfl s ALA 37 Cb -0.02 -0.21 1.24 0.00 0.00 0.00 0.00 23.12 24.13 1xfl s ALA 37 CO 0.15 0.07 1.93 1.03 0.00 0.00 0.00 175.76 178.94 1xfl h SER 38 N 6.39 0.00 0.41 0.00 0.87 -1.98 -2.45 113.55 116.78 1xfl h SER 38 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 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 0.49 0.00 -0.16 -2.67 -0.53 0.00 0.00 176.83 173.97 1xfl n TRP 39 N -3.00 0.00 -3.51 2.24 4.27 -1.26 -4.75 117.44 111.43 1xfl n TRP 39 Ca 0.01 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.24 1xfl n TRP 39 Cb 0.32 -0.20 -0.09 0.00 -1.36 0.00 0.00 31.31 29.98 1xfl n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xfl n GLY 41 N 4.24 -2.71 0.33 0.00 0.00 -1.26 -0.41 105.19 105.38 1xfl n GLY 41 Ca -0.11 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1xfl n GLY 41 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xfl h PRO 42 N 0.00 0.07 -0.37 1.61 0.11 -1.95 0.31 132.00 131.78 1xfl h PRO 42 Ca 0.00 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1xfl h PRO 42 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1xfl h PRO 42 CO 0.00 0.04 -0.31 0.00 -0.21 0.00 0.00 178.00 177.52 1xfl h ARG 44 N 0.68 0.51 0.00 0.00 2.43 0.61 -3.18 114.38 115.42 1xfl h ARG 44 Ca 0.07 -0.72 -0.05 0.00 -0.81 0.00 0.00 59.98 58.48 1xfl h ARG 44 Cb 0.86 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1xfl h ARG 44 CO 0.07 1.32 -0.22 0.35 -1.51 0.00 0.00 179.97 179.98 1xfl h PHE 45 N 0.20 0.00 0.00 2.20 3.57 -0.88 -2.84 116.94 119.19 1xfl h PHE 45 Ca -0.17 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 1xfl h PHE 45 Cb 1.93 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.66 1xfl h PHE 45 CO 0.10 0.22 -1.01 0.97 -2.23 0.00 0.00 178.31 176.37 1xfl h ILE 46 N 0.00 0.30 -0.37 1.41 6.09 -1.30 -3.39 117.51 120.25 1xfl h ILE 46 Ca -0.00 -1.54 0.04 0.00 -1.37 0.00 0.00 64.86 61.98 1xfl h ILE 46 Cb 0.51 1.87 -0.04 0.00 0.47 0.00 0.00 36.82 39.64 1xfl h ILE 46 CO 0.03 0.17 0.14 0.00 -3.07 0.00 0.00 178.15 175.43 1xfl h ALA 47 N 1.71 0.44 -0.20 0.18 0.00 -1.48 -2.47 119.26 117.44 1xfl h ALA 47 Ca -0.06 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1xfl h ALA 47 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xfl h ALA 47 CO 0.03 -0.24 0.17 -1.35 0.00 0.00 0.00 179.25 177.85 1xfl h PRO 48 N 0.31 0.00 -0.35 0.00 0.11 -1.77 -1.08 132.00 129.21 1xfl h PRO 48 Ca 0.17 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 1xfl h PRO 48 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1xfl h PRO 48 CO -0.16 0.00 -0.38 0.35 -0.21 0.00 0.00 178.00 177.60 1xfl h PHE 49 N 0.00 1.01 -0.17 0.65 3.57 -1.71 -2.42 116.94 117.86 1xfl h PHE 49 Ca 0.09 -0.30 -0.10 0.00 3.53 0.00 0.00 57.97 61.20 1xfl h PHE 49 Cb 0.43 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1xfl h PHE 49 CO 0.00 1.09 -0.34 0.35 -2.23 0.00 0.00 178.31 177.18 1xfl h PHE 50 N 0.69 0.41 -0.02 0.41 3.57 -1.16 -0.24 116.94 120.60 1xfl h PHE 50 Ca 0.06 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 1xfl h PHE 50 Cb 0.95 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1xfl h PHE 50 CO 0.06 0.66 -0.37 0.00 -2.23 0.00 0.00 178.31 176.42 1xfl h ALA 51 N 1.34 1.35 -0.08 2.41 0.00 -1.29 -2.49 119.26 120.50 1xfl h ALA 51 Ca 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1xfl h ALA 51 Cb 0.75 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xfl h ALA 51 CO 0.06 0.48 -0.57 0.22 0.00 0.00 0.00 179.25 179.44 1xfl h ASP 52 N 0.03 0.63 -0.92 0.00 3.58 -0.82 -3.07 116.42 115.86 1xfl h ASP 52 Ca 0.00 -0.67 0.18 0.00 0.42 0.00 0.00 57.03 56.96 1xfl h ASP 52 Cb 0.68 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 41.46 1xfl h ASP 52 CO 0.05 1.21 0.59 -0.07 -2.88 0.00 0.00 179.24 178.14 1xfl h LEU 53 N 0.11 0.57 -1.72 2.28 3.38 -0.91 0.27 115.31 119.29 1xfl h LEU 53 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xfl h LEU 53 Cb 1.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1xfl h LEU 53 CO 0.12 0.25 0.19 0.00 0.09 0.00 0.00 178.44 179.09 1xfl h ALA 54 N 1.61 1.80 0.02 1.53 0.00 -1.34 -0.78 119.26 122.10 1xfl h ALA 54 Ca 0.48 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.15 1xfl h ALA 54 Cb 0.96 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1xfl h ALA 54 CO -0.23 0.18 -1.05 -0.22 0.00 0.00 0.00 179.25 177.93 1xfl h LYS 55 N 0.39 0.04 0.00 0.00 3.64 -1.04 -2.93 116.57 116.67 1xfl h LYS 55 Ca 0.11 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1xfl h LYS 55 Cb -0.03 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1xfl h LYS 55 CO -0.02 1.01 -0.81 -0.22 -2.27 0.00 0.00 179.45 177.14 1xfl h LYS 56 N 0.01 0.04 -3.14 1.90 3.64 -0.66 -3.38 116.57 114.98 1xfl h LYS 56 Ca -0.03 -0.04 -0.62 0.00 -1.27 0.00 0.00 60.65 58.68 1xfl h LYS 56 Cb 1.80 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 33.22 1xfl h LYS 56 CO 0.14 0.83 -0.61 -0.51 -2.27 0.00 0.00 179.45 177.03 1xfl s LEU 57 N -7.24 4.49 0.58 5.20 1.43 -0.40 -4.94 118.68 117.80 1xfl s LEU 57 Ca -0.01 -3.54 0.38 0.00 -1.03 0.00 0.00 54.13 49.93 1xfl s LEU 57 Cb 0.11 -1.58 1.82 0.00 0.03 0.00 0.00 46.19 46.58 1xfl s LEU 57 CO 0.80 -0.14 2.13 1.55 0.23 0.00 0.00 176.35 180.92 1xfl h PRO 58 N 5.77 0.00 -0.38 1.29 0.13 -1.74 -2.68 132.00 134.38 1xfl h PRO 58 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xfl h PRO 58 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1xfl h PRO 58 CO 0.69 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.75 1xfl n ASN 59 N -3.01 2.27 -4.21 1.44 5.15 -1.26 -4.81 115.26 110.83 1xfl n ASN 59 Ca -0.01 -1.95 -0.30 0.00 -0.60 0.00 0.00 54.58 51.73 1xfl n ASN 59 Cb 0.19 -0.25 -0.16 0.00 -0.53 0.00 0.00 39.78 39.02 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 -1.49 1.83 -0.35 3.44 1.01 -1.01 -4.44 120.40 119.40 1xfl s VAL 60 Ca 0.30 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1xfl s VAL 60 Cb 0.16 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1xfl s VAL 60 CO 0.22 0.51 0.67 -0.76 0.00 0.00 0.00 175.10 175.74 1xfl s LEU 61 N -0.03 4.20 -0.09 3.92 1.02 -0.74 -4.96 118.68 122.00 1xfl s LEU 61 Ca -0.05 0.26 -0.10 0.00 0.02 0.00 0.00 54.13 54.25 1xfl s LEU 61 Cb -0.13 -2.86 -0.05 0.00 0.02 0.00 0.00 46.19 43.17 1xfl s LEU 61 CO 0.04 -0.61 0.24 -0.36 0.02 0.00 0.00 176.35 175.68 1xfl s PHE 62 N 2.79 3.62 0.00 0.29 0.40 -1.26 -0.04 117.98 123.78 1xfl s PHE 62 Ca 0.26 0.68 0.02 0.00 -0.60 0.00 0.00 56.93 57.30 1xfl s PHE 62 Cb -0.14 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1xfl s PHE 62 CO 0.15 0.64 -0.07 -0.51 0.70 0.00 0.00 175.22 176.13 1xfl s LEU 63 N -0.84 2.04 -0.11 -0.37 1.43 0.50 -1.21 118.68 120.12 1xfl s LEU 63 Ca 0.18 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1xfl s LEU 63 Cb -0.14 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1xfl s LEU 63 CO 0.07 0.05 -0.23 -0.75 0.23 0.00 0.00 176.35 175.72 1xfl s LYS 64 N -0.30 3.07 -0.04 1.70 2.36 0.06 -0.82 119.74 125.77 1xfl s LYS 64 Ca 0.01 -0.86 0.07 0.00 -2.55 0.00 0.00 55.97 52.64 1xfl s LYS 64 Cb -0.03 -2.34 -0.01 0.00 -1.05 0.00 0.00 37.83 34.40 1xfl s LYS 64 CO -0.00 0.16 -0.25 0.08 1.55 0.00 0.00 175.35 176.89 1xfl s VAL 65 N 0.40 2.01 -0.26 4.02 1.01 0.14 -1.87 120.40 125.86 1xfl s VAL 65 Ca -0.17 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 1xfl s VAL 65 Cb -0.18 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1xfl s VAL 65 CO 0.07 0.56 0.09 -0.62 0.00 0.00 0.00 175.10 175.21 1xfl s ASP 66 N -0.31 5.26 0.05 3.32 2.15 -1.26 -2.23 116.67 123.64 1xfl s ASP 66 Ca 0.01 -0.19 0.20 0.00 0.43 0.00 0.00 52.55 53.00 1xfl s ASP 66 Cb -0.12 -1.95 0.84 0.00 -0.30 0.00 0.00 42.92 41.39 1xfl s ASP 66 CO 0.02 -0.04 1.64 1.07 -0.17 0.00 0.00 175.17 177.69 1xfl n THR 67 N 4.94 0.69 -0.01 1.71 5.66 -0.76 -0.05 114.28 126.45 1xfl n THR 67 Ca -0.16 0.15 -0.17 0.00 -3.05 0.00 0.00 64.05 60.82 1xfl n THR 67 Cb 0.51 -0.86 -0.14 0.00 -1.55 0.00 0.00 70.33 68.29 1xfl n THR 67 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1xfl h ASP 68 N 0.00 0.23 0.43 1.09 3.58 -1.94 -2.87 116.42 116.95 1xfl h ASP 68 Ca 0.00 -0.96 -0.02 0.00 0.42 0.00 0.00 57.03 56.47 1xfl h ASP 68 Cb 0.36 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1xfl h ASP 68 CO 0.00 1.21 -0.21 -0.33 -2.88 0.00 0.00 179.24 177.04 1xfl h GLU 69 N -0.68 -0.56 -2.00 0.28 5.08 -1.93 -3.32 114.58 111.44 1xfl h GLU 69 Ca -0.08 0.04 -0.64 0.00 -1.00 0.00 0.00 59.36 57.67 1xfl h GLU 69 Cb 1.33 0.13 -0.23 0.00 0.50 0.00 0.00 28.75 30.48 1xfl h GLU 69 CO 0.07 -0.29 0.75 1.28 -1.00 0.00 0.00 179.01 179.83 1xfl n LEU 70 N -5.18 7.04 -0.26 1.33 4.32 0.92 -4.63 117.00 120.54 1xfl n LEU 70 Ca -0.09 -4.48 -0.03 0.00 -0.02 0.00 0.00 56.01 51.40 1xfl n LEU 70 Cb 0.27 -1.15 0.09 0.00 -1.62 0.00 0.00 43.42 41.02 1xfl n LEU 70 CO 0.24 1.75 1.15 0.50 -1.22 0.00 0.00 177.39 179.81 1xfl h LYS 71 N 3.01 0.86 -0.58 3.23 3.11 -1.61 0.13 116.57 124.70 1xfl h LYS 71 Ca 0.49 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 58.25 1xfl h LYS 71 Cb 0.35 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.36 1xfl h LYS 71 CO 1.18 0.57 0.26 0.66 -2.81 0.00 0.00 179.45 179.30 1xfl h SER 72 N 0.88 0.79 -0.36 4.20 4.64 -1.86 0.87 113.55 122.71 1xfl h SER 72 Ca 0.30 -0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 1xfl h SER 72 Cb 0.05 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1xfl h SER 72 CO -0.12 0.72 -0.43 0.58 -0.87 0.00 0.00 176.83 176.72 1xfl h VAL 73 N 0.80 1.27 -0.15 0.95 2.07 -1.74 0.85 116.25 120.31 1xfl h VAL 73 Ca 0.20 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 1xfl h VAL 73 Cb 0.16 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1xfl h VAL 73 CO -0.02 0.53 -0.19 0.00 0.02 0.00 0.00 177.57 177.92 1xfl h ALA 74 N 0.75 1.41 -0.03 1.67 0.00 -0.55 -0.41 119.26 122.10 1xfl h ALA 74 Ca 0.05 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1xfl h ALA 74 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xfl h ALA 74 CO 0.10 0.41 -0.87 1.03 0.00 0.00 0.00 179.25 179.92 1xfl h SER 75 N 0.23 0.55 -0.35 0.00 0.87 -0.51 0.21 113.55 114.54 1xfl h SER 75 Ca 0.04 -0.41 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 1xfl h SER 75 Cb 0.47 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1xfl h SER 75 CO 0.03 1.19 -0.10 -0.78 -0.53 0.00 0.00 176.83 176.64 1xfl h ASP 76 N 0.27 0.77 0.11 6.23 3.58 -0.01 -1.35 116.42 126.02 1xfl h ASP 76 Ca -0.06 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1xfl h ASP 76 Cb 1.48 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1xfl h ASP 76 CO 0.15 0.90 -0.08 0.79 -2.88 0.00 0.00 179.24 178.12 1xfl n TRP 77 N -4.17 0.00 -3.20 0.28 7.02 -0.24 -4.97 117.44 112.16 1xfl n TRP 77 Ca 0.01 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.44 1xfl n TRP 77 Cb 0.36 -0.06 0.01 0.00 -2.42 0.00 0.00 31.31 29.20 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 -0.34 -2.55 -3.42 6.99 0.00 -0.51 -4.99 120.51 115.69 1xfl n ALA 78 Ca 0.17 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 1xfl n ALA 78 Cb 0.31 -1.72 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.04 4.07 -0.13 0.00 -1.09 0.62 -4.92 121.20 116.72 1xfl s ILE 79 Ca 0.04 -1.57 0.06 0.00 -2.23 0.00 0.00 60.65 56.95 1xfl s ILE 79 Cb -0.01 -3.57 -0.23 0.00 -1.58 0.00 0.00 42.46 37.07 1xfl s ILE 79 CO 0.78 -0.58 0.32 0.00 -1.23 0.00 0.00 174.94 174.22 1xfl n GLN 80 N 4.87 0.68 -4.69 2.79 3.00 -1.26 -4.77 117.38 118.00 1xfl n GLN 80 Ca -0.09 0.20 -0.33 0.00 -0.01 0.00 0.00 57.00 56.77 1xfl n GLN 80 Cb 0.42 -1.67 -0.13 0.00 0.00 0.00 0.00 30.24 28.86 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xfl s ALA 81 N -2.55 2.79 0.02 -1.58 0.00 -1.26 -5.11 121.76 114.07 1xfl s ALA 81 Ca -0.16 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1xfl s ALA 81 Cb 0.07 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1xfl s ALA 81 CO 0.77 0.37 0.01 -1.64 0.00 0.00 0.00 175.76 175.27 1xfl s MET 82 N -0.10 2.75 0.27 0.00 -1.94 -1.26 -3.90 119.30 115.11 1xfl s MET 82 Ca -0.00 -0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 53.28 1xfl s MET 82 Cb -0.13 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 1xfl s MET 82 CO 0.03 0.60 0.51 -1.25 -0.01 0.00 0.00 175.02 174.90 1xfl s PRO 83 N -1.79 3.60 -0.16 2.03 0.04 -1.26 -4.36 135.00 133.10 1xfl s PRO 83 Ca 0.22 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 1xfl s PRO 83 Cb -0.12 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1xfl s PRO 83 CO 0.13 0.26 -0.13 0.99 0.04 0.00 0.00 177.00 178.30 1xfl s THR 84 N -2.03 2.86 -0.25 1.26 2.01 0.29 -0.10 115.64 119.68 1xfl s THR 84 Ca 0.42 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 1xfl s THR 84 Cb -0.11 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1xfl s THR 84 CO 0.30 0.50 0.08 -0.36 -0.69 0.00 0.00 174.62 174.44 1xfl s PHE 85 N 0.88 3.10 -0.21 4.92 0.08 0.05 -0.55 117.98 126.25 1xfl s PHE 85 Ca -0.03 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 1xfl s PHE 85 Cb -0.15 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1xfl s PHE 85 CO -0.00 -0.32 -0.04 1.41 -0.10 0.00 0.00 175.22 176.16 1xfl s MET 86 N 1.55 3.43 -0.30 0.44 -2.45 0.87 -0.00 119.30 122.84 1xfl s MET 86 Ca 0.06 -0.61 -0.11 0.00 -1.25 0.00 0.00 55.69 53.79 1xfl s MET 86 Cb -0.15 -2.98 -0.02 0.00 1.25 0.00 0.00 34.83 32.93 1xfl s MET 86 CO 0.04 -0.10 0.18 -0.06 1.05 0.00 0.00 175.02 176.12 1xfl s PHE 87 N 1.24 3.19 0.14 4.11 0.40 0.85 -1.16 117.98 126.75 1xfl s PHE 87 Ca 0.03 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1xfl s PHE 87 Cb -0.14 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1xfl s PHE 87 CO -0.01 -0.35 0.02 -0.48 0.70 0.00 0.00 175.22 175.10 1xfl s LEU 88 N 1.68 1.99 -0.08 -0.37 2.34 -1.10 -1.11 118.68 122.04 1xfl s LEU 88 Ca 0.06 -1.17 0.01 0.00 0.06 0.00 0.00 54.13 53.08 1xfl s LEU 88 Cb -0.17 0.14 0.02 0.00 -0.56 0.00 0.00 46.19 45.62 1xfl s LEU 88 CO 0.08 -0.65 -0.08 -0.75 -1.06 0.00 0.00 176.35 173.90 1xfl s LYS 89 N -3.98 1.33 0.00 1.48 2.20 0.84 -2.67 119.74 118.94 1xfl s LYS 89 Ca 0.22 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1xfl s LYS 89 Cb 0.07 -1.29 0.00 0.00 -1.51 0.00 0.00 37.83 35.09 1xfl s LYS 89 CO 0.01 -0.14 0.00 0.39 -0.36 0.00 0.00 175.35 175.26 1xfl n GLU 90 N 4.40 -0.81 -0.37 4.03 1.02 -0.87 -0.89 120.64 127.15 1xfl n GLU 90 Ca -0.18 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1xfl n GLU 90 Cb 0.51 -3.89 0.00 0.00 -0.02 0.00 0.00 31.44 28.04 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 -1.21 0.81 3.64 0.62 0.00 -1.26 -2.59 105.19 105.20 1xfl n GLY 91 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.63 3.93 0.15 1.61 1.02 -0.07 -5.06 119.74 120.69 1xfl s LYS 92 Ca 0.00 -0.34 -0.31 0.00 0.02 0.00 0.00 55.97 55.34 1xfl s LYS 92 Cb 0.00 -3.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.02 1xfl s LYS 92 CO 0.00 0.30 1.48 0.42 -0.92 0.00 0.00 175.35 176.63 1xfl s ILE 93 N 0.28 2.94 -0.00 2.17 1.01 -1.26 -0.11 121.20 126.23 1xfl s ILE 93 Ca 0.04 0.68 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 1xfl s ILE 93 Cb -0.12 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1xfl s ILE 93 CO 0.00 0.06 -0.04 0.18 0.00 0.00 0.00 174.94 175.14 1xfl n LEU 94 N 3.86 0.39 -3.65 2.97 4.77 -0.86 -4.86 117.00 119.62 1xfl n LEU 94 Ca 0.12 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 1xfl n LEU 94 Cb 0.40 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1xfl n LEU 94 CO 0.60 -0.52 0.15 1.51 -1.33 0.00 0.00 177.39 177.80 1xfl s ASP 95 N -4.98 -0.25 0.07 -1.43 -4.77 -0.26 -5.03 116.67 100.01 1xfl s ASP 95 Ca -0.03 -0.16 -0.08 0.00 -3.30 0.00 0.00 52.55 48.98 1xfl s ASP 95 Cb 0.00 0.44 -0.00 0.00 -1.09 0.00 0.00 42.92 42.28 1xfl s ASP 95 CO 0.04 -0.75 0.17 -1.59 0.70 0.00 0.00 175.17 173.75 1xfl s LYS 96 N -3.10 0.76 -0.20 2.11 0.00 -1.26 -0.10 119.74 117.95 1xfl s LYS 96 Ca -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 55.97 55.09 1xfl s LYS 96 Cb 0.01 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.15 1xfl s LYS 96 CO -0.07 -0.23 -0.11 0.08 0.00 0.00 0.00 175.35 175.03 1xfl s VAL 97 N -3.35 2.86 -0.32 1.79 1.01 0.99 -4.98 120.40 118.41 1xfl s VAL 97 Ca 0.01 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1xfl s VAL 97 Cb 0.03 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1xfl s VAL 97 CO -0.08 0.47 0.16 0.54 0.00 0.00 0.00 175.10 176.19 1xfl s VAL 98 N 1.37 4.62 0.00 2.92 0.11 -1.26 -0.77 120.40 127.39 1xfl s VAL 98 Ca 0.05 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1xfl s VAL 98 Cb -0.14 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1xfl s VAL 98 CO -0.07 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1xfl n GLY 99 N 4.99 2.12 3.52 6.54 0.00 0.86 -4.91 105.19 118.30 1xfl n GLY 99 Ca -0.14 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.80 3.33 -0.12 4.61 0.00 -1.26 -4.60 121.76 120.92 1xfl s ALA 100 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1xfl s ALA 100 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1xfl s ALA 100 CO 0.00 -1.84 -0.16 0.15 0.00 0.00 0.00 175.76 173.91 1xfl s LYS 101 N 2.91 2.34 -0.01 0.00 3.01 -1.26 -5.03 119.74 121.69 1xfl s LYS 101 Ca 0.23 -0.59 -0.26 0.00 -1.01 0.00 0.00 55.97 54.34 1xfl s LYS 101 Cb -0.14 -2.02 -0.20 0.00 -1.01 0.00 0.00 37.83 34.46 1xfl s LYS 101 CO 0.19 -0.11 1.29 -0.22 0.51 0.00 0.00 175.35 177.01 1xfl h LYS 102 N 7.60 0.01 -0.02 1.68 3.64 -1.99 -2.51 116.57 124.98 1xfl h LYS 102 Ca -0.34 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1xfl h LYS 102 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xfl h LYS 102 CO 0.51 0.48 -0.08 0.22 -2.27 0.00 0.00 179.45 178.30 1xfl h ASP 103 N -0.45 0.11 0.13 4.20 3.58 -2.00 -3.11 116.42 118.88 1xfl h ASP 103 Ca 0.00 -0.65 -0.03 0.00 0.42 0.00 0.00 57.03 56.78 1xfl h ASP 103 Cb 0.47 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1xfl h ASP 103 CO 0.00 0.74 -0.12 -0.08 -2.88 0.00 0.00 179.24 176.90 1xfl h GLU 104 N -0.51 0.00 0.02 0.28 4.81 -1.99 -1.31 114.58 115.88 1xfl h GLU 104 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xfl h GLU 104 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1xfl h GLU 104 CO 0.02 0.12 -0.01 1.25 -0.73 0.00 0.00 179.01 179.66 1xfl h LEU 105 N 0.00 -0.03 -1.00 1.64 5.85 -1.50 -1.91 115.31 118.37 1xfl h LEU 105 Ca -0.00 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.61 1xfl h LEU 105 Cb 0.22 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1xfl h LEU 105 CO 0.02 0.23 0.62 1.56 -0.34 0.00 0.00 178.44 180.53 1xfl h GLN 106 N -0.29 0.91 -0.63 1.25 1.08 -1.25 0.15 115.11 116.33 1xfl h GLN 106 Ca -0.00 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 1xfl h GLN 106 Cb 0.27 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1xfl h GLN 106 CO 0.01 0.60 0.15 0.77 -0.95 0.00 0.00 178.83 179.41 1xfl h SER 107 N 0.94 0.94 0.59 1.46 0.02 -1.03 0.31 113.55 116.78 1xfl h SER 107 Ca 0.51 -0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 61.11 1xfl h SER 107 Cb 0.57 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1xfl h SER 107 CO -0.29 0.91 -0.76 0.74 -1.14 0.00 0.00 176.83 176.28 1xfl h THR 108 N 0.95 1.48 -0.23 -2.27 2.02 -0.33 -1.68 112.91 112.85 1xfl h THR 108 Ca 0.20 -2.44 -0.13 0.00 0.77 0.00 0.00 66.41 64.81 1xfl h THR 108 Cb 0.34 2.32 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1xfl h THR 108 CO 0.00 0.71 -0.37 0.40 0.37 0.00 0.00 175.52 176.63 1xfl h ILE 109 N 0.08 1.32 -0.10 3.11 2.04 -0.20 -2.99 117.51 120.77 1xfl h ILE 109 Ca -0.02 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 1xfl h ILE 109 Cb 1.34 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1xfl h ILE 109 CO 0.11 0.49 -0.07 0.00 0.00 0.00 0.00 178.15 178.68 1xfl h ALA 110 N 0.64 1.71 -0.83 1.87 0.00 -0.30 0.16 119.26 122.51 1xfl h ALA 110 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xfl h ALA 110 Cb 0.96 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1xfl h ALA 110 CO 0.08 0.22 0.54 -0.22 0.00 0.00 0.00 179.25 179.87 1xfl h LYS 111 N 0.14 1.05 -0.31 0.00 3.64 -1.17 -2.37 116.57 117.55 1xfl h LYS 111 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xfl h LYS 111 Cb 0.22 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1xfl h LYS 111 CO 0.01 0.69 0.00 0.72 -2.27 0.00 0.00 179.45 178.60 1xfl n HIS 112 N -4.54 0.39 -2.49 1.91 8.25 -0.67 -4.94 115.22 113.13 1xfl n HIS 112 Ca 0.09 -0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 1xfl n HIS 112 Cb 0.05 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 1xfl n HIS 112 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1xfl s LEU 113 N -1.60 4.27 0.00 2.41 1.98 0.47 -5.07 118.68 121.14 1xfl s LEU 113 Ca 0.37 1.77 0.00 0.00 -2.89 0.00 0.00 54.13 53.37 1xfl s LEU 113 Cb 0.22 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.51 1xfl s LEU 113 CO 0.31 -0.57 0.06 0.00 -1.89 0.00 0.00 176.35 174.26