#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 -3.10 -3.44 3.17 0.00 -1.26 -5.13 120.51 110.75 1xfl n ALA 2 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1xfl n ALA 2 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1xfl n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xfl s SER 3 N -0.28 -0.54 -1.15 0.00 0.01 -1.26 -5.06 113.70 105.42 1xfl s SER 3 Ca -0.01 0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.10 1xfl s SER 3 Cb 0.00 0.56 0.07 0.00 0.21 0.00 0.00 66.02 66.86 1xfl s SER 3 CO 0.15 -0.89 1.56 -1.83 0.41 0.00 0.00 173.24 172.64 1xfl s GLU 4 N -3.49 3.81 0.04 12.44 -1.05 -1.26 -4.93 118.70 124.27 1xfl s GLU 4 Ca 0.01 -1.68 0.07 0.00 -0.15 0.00 0.00 54.97 53.22 1xfl s GLU 4 Cb -0.01 -5.38 -0.03 0.00 -0.44 0.00 0.00 34.13 28.27 1xfl s GLU 4 CO -0.11 -2.16 -0.21 -1.83 0.95 0.00 0.00 175.26 171.90 1xfl s GLU 5 N 4.20 1.39 -0.39 -4.83 -1.05 -1.26 -4.72 118.70 112.03 1xfl s GLU 5 Ca 0.48 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1xfl s GLU 5 Cb 0.01 -1.50 0.00 0.00 -0.44 0.00 0.00 34.13 32.21 1xfl s GLU 5 CO -0.01 0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.99 1xfl n GLY 6 N 1.85 0.65 3.79 -3.83 0.00 -1.22 -4.86 105.19 101.58 1xfl n GLY 6 Ca -0.17 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.74 4.11 -0.13 1.61 -2.07 -1.26 -4.58 119.66 115.61 1xfl s GLN 7 Ca 0.00 0.48 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 1xfl s GLN 7 Cb 0.00 -3.30 -0.01 0.00 -1.09 0.00 0.00 33.01 28.61 1xfl s GLN 7 CO 0.00 0.50 -0.14 0.08 -1.32 0.00 0.00 175.29 174.41 1xfl s VAL 8 N -0.51 2.96 -0.41 3.63 1.01 -1.26 -4.49 120.40 121.33 1xfl s VAL 8 Ca 0.25 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 1xfl s VAL 8 Cb -0.17 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1xfl s VAL 8 CO 0.13 0.53 0.86 -0.63 0.00 0.00 0.00 175.10 175.99 1xfl s ILE 9 N 0.35 4.61 -0.42 2.22 -1.09 0.46 -4.84 121.20 122.49 1xfl s ILE 9 Ca -0.12 0.85 -0.14 0.00 -2.23 0.00 0.00 60.65 59.02 1xfl s ILE 9 Cb -0.16 -4.32 0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1xfl s ILE 9 CO 0.06 -0.62 0.31 0.00 -1.23 0.00 0.00 174.94 173.46 1xfl s ALA 10 N 3.41 3.46 -0.06 9.38 0.00 -1.26 -0.11 121.76 136.59 1xfl s ALA 10 Ca 0.34 -1.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.27 1xfl s ALA 10 Cb -0.12 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1xfl s ALA 10 CO 0.21 -1.52 0.58 0.00 0.00 0.00 0.00 175.76 175.03 1xfl n HIS 12 N 3.33 0.00 -4.14 0.00 8.25 -1.26 -3.34 115.22 118.05 1xfl n HIS 12 Ca -0.05 -0.30 -0.11 0.00 -0.26 0.00 0.00 57.72 56.99 1xfl n HIS 12 Cb 0.51 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.61 0.64 0.12 1.59 -4.23 -1.26 -4.87 115.64 107.02 1xfl s THR 13 Ca 0.00 -1.75 0.12 0.00 -1.18 0.00 0.00 61.69 58.88 1xfl s THR 13 Cb 0.00 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 1xfl s THR 13 CO 0.00 -0.78 1.51 0.58 -0.54 0.00 0.00 174.62 175.39 1xfl h VAL 14 N 3.29 1.27 0.06 2.29 2.07 -1.99 -3.02 116.25 120.23 1xfl h VAL 14 Ca -0.35 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 64.81 1xfl h VAL 14 Cb 1.17 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1xfl h VAL 14 CO 0.60 0.63 -0.11 -0.08 0.02 0.00 0.00 177.57 178.63 1xfl h GLU 15 N 0.00 -0.21 -0.66 1.57 4.81 -1.98 0.39 114.58 118.50 1xfl h GLU 15 Ca -0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1xfl h GLU 15 Cb 1.30 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1xfl h GLU 15 CO 0.08 -0.14 0.39 1.15 -0.73 0.00 0.00 179.01 179.77 1xfl h THR 16 N -0.21 1.20 -0.08 0.32 2.02 -1.98 -1.07 112.91 113.09 1xfl h THR 16 Ca 0.02 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1xfl h THR 16 Cb 0.23 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1xfl h THR 16 CO -0.07 0.21 0.04 -0.25 0.37 0.00 0.00 175.52 175.82 1xfl h TRP 17 N 0.90 0.11 -0.51 3.16 -0.00 -1.32 -2.43 115.95 115.87 1xfl h TRP 17 Ca 0.24 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.11 1xfl h TRP 17 Cb -0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 1xfl h TRP 17 CO -0.01 0.17 0.27 -0.97 -0.00 0.00 0.00 178.44 177.89 1xfl h ASN 18 N 0.03 0.64 -0.52 2.65 -0.73 -0.04 -2.16 115.58 115.44 1xfl h ASN 18 Ca 0.03 -0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.14 1xfl h ASN 18 Cb 0.09 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.48 1xfl h ASN 18 CO -0.00 0.56 0.28 -0.08 -0.37 0.00 0.00 177.43 177.82 1xfl h GLU 19 N 0.67 0.54 -0.39 6.67 4.81 -1.13 -1.45 114.58 124.30 1xfl h GLU 19 Ca 0.18 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1xfl h GLU 19 Cb 0.07 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1xfl h GLU 19 CO -0.03 0.36 0.10 1.96 -0.73 0.00 0.00 179.01 180.67 1xfl h GLN 20 N 0.56 0.63 -0.25 1.92 1.08 -1.14 -1.08 115.11 116.82 1xfl h GLN 20 Ca 0.22 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1xfl h GLN 20 Cb 0.09 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1xfl h GLN 20 CO -0.13 0.65 0.07 -0.07 -0.95 0.00 0.00 178.83 178.40 1xfl h LEU 21 N 0.49 0.37 -0.94 1.46 3.38 -1.09 0.25 115.31 119.22 1xfl h LEU 21 Ca 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xfl h LEU 21 Cb 0.30 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1xfl h LEU 21 CO 0.00 0.49 0.35 -0.61 0.09 0.00 0.00 178.44 178.75 1xfl h GLN 22 N 0.23 1.11 -0.56 1.13 5.75 -1.25 -0.17 115.11 121.34 1xfl h GLN 22 Ca 0.08 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.31 1xfl h GLN 22 Cb 0.26 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1xfl h GLN 22 CO -0.00 0.87 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.79 1xfl h LYS 23 N 1.09 1.02 0.00 1.69 1.63 -0.75 0.20 116.57 121.45 1xfl h LYS 23 Ca 0.26 -0.34 -0.10 0.00 -0.85 0.00 0.00 60.65 59.62 1xfl h LYS 23 Cb 0.14 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1xfl h LYS 23 CO -0.03 1.03 -0.47 0.00 -3.45 0.00 0.00 179.45 176.53 1xfl h ALA 24 N 0.96 1.22 0.09 5.00 0.00 -0.11 -1.34 119.26 125.08 1xfl h ALA 24 Ca 0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xfl h ALA 24 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xfl h ALA 24 CO 0.04 0.59 -0.04 -0.97 0.00 0.00 0.00 179.25 178.86 1xfl h ASN 25 N 0.00 -0.10 -0.50 0.00 -1.24 -0.66 0.22 115.58 113.30 1xfl h ASN 25 Ca -0.00 -0.46 -0.02 0.00 0.71 0.00 0.00 56.30 56.53 1xfl h ASN 25 Cb 0.83 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.89 1xfl h ASN 25 CO 0.06 0.55 0.24 -0.08 -1.29 0.00 0.00 177.43 176.91 1xfl h GLU 26 N -0.90 0.71 -0.01 6.67 4.57 -0.60 -2.22 114.58 122.80 1xfl h GLU 26 Ca -0.01 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1xfl h GLU 26 Cb 0.56 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1xfl h GLU 26 CO 0.02 0.59 -0.18 0.43 -1.18 0.00 0.00 179.01 178.69 1xfl n SER 27 N -4.62 1.31 -3.75 1.04 7.64 -0.51 -4.95 113.62 109.79 1xfl n SER 27 Ca 0.02 -1.16 -0.24 0.00 1.01 0.00 0.00 58.87 58.50 1xfl n SER 27 Cb 0.11 0.11 0.02 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.28 -3.82 -3.62 1.43 5.02 -0.55 -4.97 118.16 111.37 1xfl n LYS 28 Ca 0.14 0.54 -0.35 0.00 -2.02 0.00 0.00 58.31 56.63 1xfl n LYS 28 Cb 0.37 -4.87 -0.05 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.72 5.15 -0.02 -0.18 2.01 -0.04 -4.55 115.64 114.29 1xfl s THR 29 Ca 0.08 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1xfl s THR 29 Cb -0.03 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1xfl s THR 29 CO 0.84 0.31 0.99 -0.22 -0.69 0.00 0.00 174.62 175.86 1xfl s LEU 30 N -1.85 4.34 0.01 4.42 0.20 -1.26 -3.13 118.68 121.41 1xfl s LEU 30 Ca 0.31 1.65 0.05 0.00 0.69 0.00 0.00 54.13 56.83 1xfl s LEU 30 Cb -0.14 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.04 1xfl s LEU 30 CO 0.17 -0.31 -0.16 0.54 -0.29 0.00 0.00 176.35 176.30 1xfl s VAL 31 N 1.23 1.30 -0.16 1.68 0.11 -1.20 -0.69 120.40 122.67 1xfl s VAL 31 Ca 0.51 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1xfl s VAL 31 Cb -0.21 -1.11 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 1xfl s VAL 31 CO 0.26 0.26 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.43 1xfl s VAL 32 N -0.54 2.48 -0.12 2.04 1.01 0.74 -2.97 120.40 123.04 1xfl s VAL 32 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1xfl s VAL 32 Cb -0.07 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1xfl s VAL 32 CO 0.00 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 1xfl s VAL 33 N 0.99 2.75 -0.35 2.92 1.01 -0.55 -1.20 120.40 125.98 1xfl s VAL 33 Ca -0.02 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1xfl s VAL 33 Cb -0.15 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1xfl s VAL 33 CO -0.04 0.54 0.22 -0.62 0.00 0.00 0.00 175.10 175.20 1xfl s ASP 34 N 0.30 5.86 -0.33 3.32 2.15 0.44 -0.55 116.67 127.86 1xfl s ASP 34 Ca -0.12 -0.66 -0.11 0.00 0.43 0.00 0.00 52.55 52.09 1xfl s ASP 34 Cb -0.16 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1xfl s ASP 34 CO 0.06 -0.30 0.18 -0.36 -0.17 0.00 0.00 175.17 174.59 1xfl s PHE 35 N 1.65 3.20 0.30 -5.34 0.40 0.44 0.03 117.98 118.66 1xfl s PHE 35 Ca 0.05 -0.62 -0.20 0.00 -0.60 0.00 0.00 56.93 55.55 1xfl s PHE 35 Cb -0.18 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 40.98 1xfl s PHE 35 CO 0.08 -0.50 0.76 -0.08 0.70 0.00 0.00 175.22 176.18 1xfl s THR 36 N 1.61 0.00 -0.06 0.64 -1.32 -0.47 -0.95 115.64 115.09 1xfl s THR 36 Ca 0.04 -0.97 -0.04 0.00 -1.21 0.00 0.00 61.69 59.51 1xfl s THR 36 Cb -0.18 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1xfl s THR 36 CO 0.07 0.00 0.13 0.00 -2.21 0.00 0.00 174.62 172.61 1xfl s ALA 37 N -3.48 3.81 0.66 11.08 0.00 -1.26 -0.73 121.76 131.83 1xfl s ALA 37 Ca 0.12 -0.73 0.41 0.00 0.00 0.00 0.00 51.96 51.77 1xfl s ALA 37 Cb -0.05 -1.84 2.25 0.00 0.00 0.00 0.00 23.12 23.48 1xfl s ALA 37 CO 0.08 0.67 2.27 1.03 0.00 0.00 0.00 175.76 179.81 1xfl h SER 38 N 4.49 0.00 -0.30 0.00 0.87 -1.95 -1.34 113.55 115.32 1xfl h SER 38 Ca -0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1xfl h SER 38 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xfl h SER 38 CO 0.62 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.25 1xfl n TRP 39 N -3.03 0.40 -3.16 2.24 4.27 -1.26 -4.86 117.44 112.04 1xfl n TRP 39 Ca -0.03 -0.20 -0.40 0.00 -3.89 0.00 0.00 57.50 52.99 1xfl n TRP 39 Cb 0.14 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.03 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 7.98 -0.54 1.38 0.00 0.00 -1.89 -1.44 103.07 108.56 1xfl h GLY 41 Ca -0.33 0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.27 1xfl h GLY 41 CO 0.76 -0.20 0.25 -2.55 0.00 0.00 0.00 176.54 174.80 1xfl h PRO 42 N -0.64 0.14 -0.52 4.80 0.11 -1.96 0.32 132.00 134.24 1xfl h PRO 42 Ca -0.05 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 1xfl h PRO 42 Cb 0.39 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1xfl h PRO 42 CO 0.09 0.09 -0.14 0.00 -0.21 0.00 0.00 178.00 177.83 1xfl h ARG 44 N 0.88 0.06 -0.19 0.00 2.43 0.14 -1.63 114.38 116.07 1xfl h ARG 44 Ca 0.13 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 1xfl h ARG 44 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1xfl h ARG 44 CO 0.05 0.57 -0.50 0.35 -1.51 0.00 0.00 179.97 178.93 1xfl h PHE 45 N 0.05 0.63 0.00 2.20 3.57 -0.68 -3.14 116.94 119.57 1xfl h PHE 45 Ca -0.00 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1xfl h PHE 45 Cb 0.94 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1xfl h PHE 45 CO 0.00 0.91 -0.66 0.97 -2.23 0.00 0.00 178.31 177.31 1xfl h ILE 46 N 0.41 0.00 -0.46 1.41 6.09 -1.00 -3.38 117.51 120.58 1xfl h ILE 46 Ca 0.02 -0.75 0.06 0.00 -1.37 0.00 0.00 64.86 62.82 1xfl h ILE 46 Cb 1.02 1.37 -0.05 0.00 0.47 0.00 0.00 36.82 39.63 1xfl h ILE 46 CO 0.09 0.00 0.17 0.00 -3.07 0.00 0.00 178.15 175.34 1xfl h ALA 47 N 2.25 0.55 0.00 0.18 0.00 -1.24 -2.52 119.26 118.48 1xfl h ALA 47 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xfl h ALA 47 Cb 0.87 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xfl h ALA 47 CO 0.00 -0.21 -0.03 -1.35 0.00 0.00 0.00 179.25 177.66 1xfl h PRO 48 N 0.35 0.00 -0.03 0.00 0.11 -1.74 -0.65 132.00 130.04 1xfl h PRO 48 Ca 0.21 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.12 1xfl h PRO 48 Cb 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1xfl h PRO 48 CO -0.21 0.03 -0.86 0.35 -0.21 0.00 0.00 178.00 177.10 1xfl h PHE 49 N 0.00 0.54 -0.16 0.65 3.57 -1.72 -2.03 116.94 117.79 1xfl h PHE 49 Ca -0.00 -0.27 -0.11 0.00 3.53 0.00 0.00 57.97 61.11 1xfl h PHE 49 Cb 0.05 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1xfl h PHE 49 CO 0.00 1.07 -0.40 0.35 -2.23 0.00 0.00 178.31 177.10 1xfl h PHE 50 N 0.23 0.41 0.00 0.41 3.57 -0.92 -0.10 116.94 120.55 1xfl h PHE 50 Ca -0.06 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.26 1xfl h PHE 50 Cb 1.47 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1xfl h PHE 50 CO 0.05 0.70 -0.34 0.00 -2.23 0.00 0.00 178.31 176.49 1xfl h ALA 51 N 1.29 1.18 -0.05 2.41 0.00 -1.02 -0.98 119.26 122.08 1xfl h ALA 51 Ca 0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1xfl h ALA 51 Cb 0.83 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1xfl h ALA 51 CO 0.07 0.43 -0.34 0.22 0.00 0.00 0.00 179.25 179.62 1xfl h ASP 52 N 0.00 0.38 -0.90 0.00 3.58 -0.60 -3.02 116.42 115.87 1xfl h ASP 52 Ca -0.00 -0.68 0.13 0.00 0.42 0.00 0.00 57.03 56.89 1xfl h ASP 52 Cb 0.72 -0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.57 1xfl h ASP 52 CO 0.04 1.01 0.52 -0.07 -2.88 0.00 0.00 179.24 177.86 1xfl h LEU 53 N -0.21 0.70 -1.26 2.28 3.38 -0.82 0.53 115.31 119.91 1xfl h LEU 53 Ca -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xfl h LEU 53 Cb 1.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1xfl h LEU 53 CO 0.07 0.34 0.41 0.00 0.09 0.00 0.00 178.44 179.36 1xfl h ALA 54 N 1.53 1.45 0.09 1.53 0.00 -1.13 -0.08 119.26 122.65 1xfl h ALA 54 Ca 0.47 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 55.05 1xfl h ALA 54 Cb 0.55 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xfl h ALA 54 CO -0.31 0.48 -1.15 -0.22 0.00 0.00 0.00 179.25 178.06 1xfl h LYS 55 N 0.93 0.24 -0.59 0.00 3.11 -1.14 -3.23 116.57 115.89 1xfl h LYS 55 Ca 0.25 -0.37 -0.08 0.00 -2.81 0.00 0.00 60.65 57.63 1xfl h LYS 55 Cb -0.04 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 1xfl h LYS 55 CO -0.05 1.16 0.04 -0.22 -2.81 0.00 0.00 179.45 177.57 1xfl h LYS 56 N 0.08 0.99 -4.24 1.90 3.64 -0.21 -3.37 116.57 115.37 1xfl h LYS 56 Ca -0.10 -0.28 -0.70 0.00 -1.27 0.00 0.00 60.65 58.29 1xfl h LYS 56 Cb 1.87 -0.11 -0.34 0.00 -0.41 0.00 0.00 32.23 33.24 1xfl h LYS 56 CO 0.18 0.95 -0.47 -0.51 -2.27 0.00 0.00 179.45 177.34 1xfl s LEU 57 N -9.32 5.36 0.23 5.20 1.43 -0.11 -4.97 118.68 116.51 1xfl s LEU 57 Ca -0.11 -2.21 -0.01 0.00 -1.03 0.00 0.00 54.13 50.78 1xfl s LEU 57 Cb 0.14 -1.87 0.24 0.00 0.03 0.00 0.00 46.19 44.73 1xfl s LEU 57 CO 0.84 -0.53 1.60 1.55 0.23 0.00 0.00 176.35 180.04 1xfl h PRO 58 N 7.89 0.53 -0.54 1.29 0.13 -1.75 -3.16 132.00 136.38 1xfl h PRO 58 Ca -0.11 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xfl h PRO 58 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xfl h PRO 58 CO 0.73 0.85 0.00 -1.71 -0.23 0.00 0.00 178.00 177.64 1xfl n ASN 59 N -4.02 2.87 -4.52 1.44 5.15 -1.26 -4.81 115.26 110.11 1xfl n ASN 59 Ca -0.02 -2.00 -0.34 0.00 -0.60 0.00 0.00 54.58 51.62 1xfl n ASN 59 Cb 0.52 -0.36 -0.12 0.00 -0.53 0.00 0.00 39.78 39.29 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 -1.29 3.69 0.01 3.44 1.01 -1.20 -4.37 120.40 121.69 1xfl s VAL 60 Ca 0.36 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1xfl s VAL 60 Cb 0.19 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1xfl s VAL 60 CO 0.24 0.54 0.57 -0.76 0.00 0.00 0.00 175.10 175.69 1xfl s LEU 61 N -0.16 4.44 -0.07 3.92 1.43 0.13 -4.94 118.68 123.44 1xfl s LEU 61 Ca 0.02 1.15 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1xfl s LEU 61 Cb -0.13 -2.88 -0.00 0.00 0.03 0.00 0.00 46.19 43.21 1xfl s LEU 61 CO 0.03 0.16 -0.20 -0.36 0.23 0.00 0.00 176.35 176.20 1xfl s PHE 62 N -0.45 2.07 0.11 0.29 0.40 -1.26 -0.18 117.98 118.96 1xfl s PHE 62 Ca 0.30 -0.71 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 1xfl s PHE 62 Cb -0.18 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1xfl s PHE 62 CO 0.17 -0.27 -0.17 -0.51 0.70 0.00 0.00 175.22 175.14 1xfl s LEU 63 N 0.19 2.34 -0.15 -0.37 1.02 -0.34 -0.40 118.68 120.96 1xfl s LEU 63 Ca -0.10 -0.72 -0.01 0.00 0.02 0.00 0.00 54.13 53.32 1xfl s LEU 63 Cb -0.15 -0.69 0.04 0.00 0.02 0.00 0.00 46.19 45.42 1xfl s LEU 63 CO 0.05 -0.04 -0.04 -0.75 0.02 0.00 0.00 176.35 175.58 1xfl s LYS 64 N -2.17 1.32 -0.19 1.70 2.36 0.84 -0.42 119.74 123.19 1xfl s LYS 64 Ca 0.06 -0.43 -0.08 0.00 -2.55 0.00 0.00 55.97 52.97 1xfl s LYS 64 Cb -0.08 -1.88 -0.04 0.00 -1.05 0.00 0.00 37.83 34.77 1xfl s LYS 64 CO 0.04 -0.42 0.07 0.08 1.55 0.00 0.00 175.35 176.67 1xfl s VAL 65 N 1.68 4.81 -0.52 4.02 1.01 0.10 -1.36 120.40 130.15 1xfl s VAL 65 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 1xfl s VAL 65 Cb -0.15 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1xfl s VAL 65 CO -0.08 0.45 0.80 -0.62 0.00 0.00 0.00 175.10 175.66 1xfl s ASP 66 N 0.42 6.30 0.09 3.32 2.15 -1.21 -1.37 116.67 126.37 1xfl s ASP 66 Ca 0.03 -0.53 0.20 0.00 0.43 0.00 0.00 52.55 52.69 1xfl s ASP 66 Cb -0.12 -2.37 0.83 0.00 -0.30 0.00 0.00 42.92 40.95 1xfl s ASP 66 CO 0.00 -1.06 1.63 0.35 -0.17 0.00 0.00 175.17 175.93 1xfl n THR 67 N 5.97 0.77 0.15 1.71 -2.24 0.09 0.15 114.28 120.87 1xfl n THR 67 Ca -0.01 0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.69 1xfl n THR 67 Cb 0.47 -0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.82 0.21 3.42 1.82 -1.91 -2.93 116.42 117.85 1xfl h ASP 68 Ca 0.00 -0.88 -0.01 0.00 -0.39 0.00 0.00 57.03 55.75 1xfl h ASP 68 Cb 0.36 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1xfl h ASP 68 CO 0.00 1.69 -0.10 -0.08 -1.61 0.00 0.00 179.24 179.14 1xfl h GLU 69 N 0.14 -0.27 -1.95 0.28 4.57 -1.78 -3.33 114.58 112.25 1xfl h GLU 69 Ca -0.25 0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 57.68 1xfl h GLU 69 Cb 2.16 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 30.71 1xfl h GLU 69 CO 0.27 -0.18 -0.02 1.28 -1.18 0.00 0.00 179.01 179.19 1xfl n LEU 70 N -3.49 5.75 -0.23 1.64 7.99 0.12 -4.64 117.00 124.14 1xfl n LEU 70 Ca -0.03 -3.34 0.04 0.00 -0.01 0.00 0.00 56.01 52.66 1xfl n LEU 70 Cb 0.11 -1.28 0.28 0.00 -0.11 0.00 0.00 43.42 42.42 1xfl n LEU 70 CO 0.08 1.56 1.23 0.07 -1.51 0.00 0.00 177.39 178.83 1xfl h LYS 71 N 2.54 0.90 0.00 3.23 2.10 -1.63 0.26 116.57 123.98 1xfl h LYS 71 Ca 0.23 -0.05 -0.12 0.00 -2.00 0.00 0.00 60.65 58.71 1xfl h LYS 71 Cb 1.15 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 1xfl h LYS 71 CO 0.44 0.60 -0.56 0.77 -2.00 0.00 0.00 179.45 178.70 1xfl h SER 72 N 0.93 0.00 -0.05 7.07 0.02 -1.87 -2.09 113.55 117.55 1xfl h SER 72 Ca 0.32 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.02 1xfl h SER 72 Cb 0.10 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.65 1xfl h SER 72 CO -0.10 0.56 -0.92 0.58 -1.14 0.00 0.00 176.83 175.81 1xfl h VAL 73 N 0.00 1.29 -0.42 2.27 2.07 -1.66 -2.98 116.25 116.81 1xfl h VAL 73 Ca -0.01 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.41 1xfl h VAL 73 Cb 1.31 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 33.30 1xfl h VAL 73 CO 0.07 0.66 0.22 0.00 0.02 0.00 0.00 177.57 178.55 1xfl h ALA 74 N 0.45 0.53 -0.11 1.67 0.00 -0.39 -0.82 119.26 120.58 1xfl h ALA 74 Ca -0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1xfl h ALA 74 Cb 1.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1xfl h ALA 74 CO 0.18 -0.13 -0.16 0.66 0.00 0.00 0.00 179.25 179.81 1xfl h SER 75 N 0.44 0.16 0.01 0.00 4.64 -1.45 0.16 113.55 117.52 1xfl h SER 75 Ca 0.18 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.29 1xfl h SER 75 Cb 0.07 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1xfl h SER 75 CO -0.12 0.34 -0.63 -0.78 -0.87 0.00 0.00 176.83 174.78 1xfl h ASP 76 N 0.16 0.69 -0.11 4.97 3.58 -1.11 -2.53 116.42 122.07 1xfl h ASP 76 Ca 0.03 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1xfl h ASP 76 Cb 0.38 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1xfl h ASP 76 CO 0.02 1.14 0.00 0.79 -2.88 0.00 0.00 179.24 178.32 1xfl n TRP 77 N -3.93 0.15 -2.28 0.28 7.02 -0.42 -4.88 117.44 113.37 1xfl n TRP 77 Ca -0.04 -0.08 -0.18 0.00 -1.02 0.00 0.00 57.50 56.19 1xfl n TRP 77 Cb 0.65 0.00 -0.01 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 -0.16 -0.50 -2.80 6.99 0.00 -0.85 -4.93 120.51 118.26 1xfl n ALA 78 Ca 0.11 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 1xfl n ALA 78 Cb 0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 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 -2.87 4.20 -0.11 0.00 -1.09 0.52 -4.76 121.20 117.10 1xfl s ILE 79 Ca 0.00 -0.22 0.14 0.00 -2.23 0.00 0.00 60.65 58.33 1xfl s ILE 79 Cb 0.00 -4.74 -0.19 0.00 -1.58 0.00 0.00 42.46 35.95 1xfl s ILE 79 CO 0.00 -1.54 0.13 0.00 -1.23 0.00 0.00 174.94 172.30 1xfl n GLN 80 N 8.04 1.33 -4.84 2.79 6.02 -1.26 -4.42 117.38 125.03 1xfl n GLN 80 Ca -0.02 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.60 1xfl n GLN 80 Cb 0.46 -1.37 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.55 2.69 -0.09 -1.58 0.00 -1.26 -5.11 121.76 113.86 1xfl s ALA 81 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1xfl s ALA 81 Cb 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1xfl s ALA 81 CO 0.60 0.56 -0.08 -1.64 0.00 0.00 0.00 175.76 175.20 1xfl s MET 82 N -0.83 2.97 0.22 0.00 -1.94 -1.26 -3.53 119.30 114.94 1xfl s MET 82 Ca 0.12 -0.59 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1xfl s MET 82 Cb -0.11 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 1xfl s MET 82 CO 0.01 0.51 0.43 -1.25 -0.01 0.00 0.00 175.02 174.72 1xfl s PRO 83 N -0.41 3.55 -0.15 2.03 0.04 -1.26 -4.66 135.00 134.15 1xfl s PRO 83 Ca 0.06 -0.25 0.01 0.00 0.04 0.00 0.00 61.00 60.86 1xfl s PRO 83 Cb -0.12 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1xfl s PRO 83 CO 0.02 0.35 -0.18 0.99 0.04 0.00 0.00 177.00 178.23 1xfl s THR 84 N -1.92 2.48 -0.24 1.26 2.01 -0.13 -0.04 115.64 119.07 1xfl s THR 84 Ca 0.40 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 1xfl s THR 84 Cb -0.11 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1xfl s THR 84 CO 0.29 0.53 0.07 -0.36 -0.69 0.00 0.00 174.62 174.46 1xfl s PHE 85 N 0.75 3.11 -0.21 4.92 0.08 0.74 -0.42 117.98 126.96 1xfl s PHE 85 Ca -0.07 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 1xfl s PHE 85 Cb -0.16 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1xfl s PHE 85 CO 0.00 -0.25 -0.02 1.41 -0.10 0.00 0.00 175.22 176.26 1xfl s MET 86 N 1.38 3.50 -0.30 0.44 -2.45 0.29 0.18 119.30 122.35 1xfl s MET 86 Ca 0.05 -0.57 -0.09 0.00 -1.25 0.00 0.00 55.69 53.83 1xfl s MET 86 Cb -0.15 -3.04 -0.01 0.00 1.25 0.00 0.00 34.83 32.88 1xfl s MET 86 CO 0.04 -0.08 0.13 -0.06 1.05 0.00 0.00 175.02 176.10 1xfl s PHE 87 N 1.22 3.16 0.16 4.11 0.40 0.28 -1.48 117.98 125.82 1xfl s PHE 87 Ca 0.03 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1xfl s PHE 87 Cb -0.14 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1xfl s PHE 87 CO 0.00 -0.45 0.00 -0.48 0.70 0.00 0.00 175.22 175.00 1xfl s LEU 88 N 1.60 2.10 -0.08 -0.37 -0.00 -1.16 -1.35 118.68 119.42 1xfl s LEU 88 Ca 0.05 -1.16 -0.00 0.00 -0.00 0.00 0.00 54.13 53.01 1xfl s LEU 88 Cb -0.17 0.01 0.02 0.00 -0.00 0.00 0.00 46.19 46.05 1xfl s LEU 88 CO 0.05 -0.59 -0.04 -0.75 -0.00 0.00 0.00 176.35 175.02 1xfl s LYS 89 N -3.93 1.07 -1.76 1.48 2.20 0.13 -3.22 119.74 115.71 1xfl s LYS 89 Ca 0.23 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1xfl s LYS 89 Cb 0.06 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 1xfl s LYS 89 CO 0.03 -0.24 0.00 0.39 -0.36 0.00 0.00 175.35 175.17 1xfl n GLU 90 N 4.83 -1.43 -0.15 4.03 1.02 -1.18 -0.94 120.64 126.81 1xfl n GLU 90 Ca -0.13 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1xfl n GLU 90 Cb 0.50 -5.46 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 -0.89 0.89 3.72 0.62 0.00 -1.26 -4.74 105.19 103.54 1xfl n GLY 91 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1xfl n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfl s LYS 92 N -0.65 3.94 0.09 1.61 3.01 -0.12 -5.06 119.74 122.56 1xfl s LYS 92 Ca 0.00 -0.26 -0.30 0.00 -1.01 0.00 0.00 55.97 54.40 1xfl s LYS 92 Cb 0.00 -3.28 -0.06 0.00 -1.01 0.00 0.00 37.83 33.48 1xfl s LYS 92 CO 0.00 0.39 1.20 0.42 0.51 0.00 0.00 175.35 177.86 1xfl s ILE 93 N 0.08 3.93 -0.04 2.17 1.01 -1.26 0.18 121.20 127.27 1xfl s ILE 93 Ca 0.08 1.43 -0.04 0.00 0.00 0.00 0.00 60.65 62.11 1xfl s ILE 93 Cb -0.12 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1xfl s ILE 93 CO -0.00 0.14 -0.08 0.18 0.00 0.00 0.00 174.94 175.17 1xfl n LEU 94 N 3.61 0.53 -3.87 2.97 4.77 -0.81 -4.88 117.00 119.32 1xfl n LEU 94 Ca 0.08 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1xfl n LEU 94 Cb 0.46 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1xfl n LEU 94 CO 0.56 -0.46 -0.12 1.51 -1.33 0.00 0.00 177.39 177.55 1xfl s ASP 95 N -4.73 0.09 -0.04 -1.43 1.47 -0.46 -5.04 116.67 106.54 1xfl s ASP 95 Ca -0.07 -0.51 0.04 0.00 1.18 0.00 0.00 52.55 53.19 1xfl s ASP 95 Cb 0.01 0.30 -0.00 0.00 -0.34 0.00 0.00 42.92 42.89 1xfl s ASP 95 CO 0.10 -0.62 -0.15 -0.54 0.68 0.00 0.00 175.17 174.65 1xfl s LYS 96 N -3.08 1.61 -0.21 2.11 1.02 -1.26 -0.56 119.74 119.37 1xfl s LYS 96 Ca -0.01 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 1xfl s LYS 96 Cb 0.01 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.93 1xfl s LYS 96 CO -0.07 0.20 -0.10 0.08 -0.92 0.00 0.00 175.35 174.54 1xfl s VAL 97 N 0.12 2.83 -0.25 3.17 1.01 0.13 -4.99 120.40 122.41 1xfl s VAL 97 Ca -0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1xfl s VAL 97 Cb -0.11 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1xfl s VAL 97 CO 0.02 0.43 0.09 0.54 0.00 0.00 0.00 175.10 176.18 1xfl s VAL 98 N 1.39 4.50 0.00 2.92 0.11 -1.26 -0.19 120.40 127.87 1xfl s VAL 98 Ca 0.05 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1xfl s VAL 98 Cb -0.14 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1xfl s VAL 98 CO -0.07 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1xfl n GLY 99 N 4.94 0.56 3.59 6.54 0.00 0.95 -4.85 105.19 116.91 1xfl n GLY 99 Ca -0.16 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.81 3.07 -0.14 4.61 0.00 -1.26 -4.83 121.76 121.41 1xfl s ALA 100 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1xfl s ALA 100 Cb 0.00 -3.97 0.02 0.00 0.00 0.00 0.00 23.12 19.18 1xfl s ALA 100 CO 0.00 -2.46 -0.13 0.15 0.00 0.00 0.00 175.76 173.32 1xfl s LYS 101 N 4.72 2.13 0.08 0.00 1.02 -1.26 -5.04 119.74 121.39 1xfl s LYS 101 Ca 0.47 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.72 1xfl s LYS 101 Cb -0.08 -1.98 -0.16 0.00 -0.52 0.00 0.00 37.83 35.10 1xfl s LYS 101 CO 0.29 -0.22 1.67 -0.22 -0.92 0.00 0.00 175.35 175.95 1xfl h LYS 102 N 8.00 -0.11 -0.22 1.68 3.64 -1.99 -0.94 116.57 126.63 1xfl h LYS 102 Ca -0.36 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 58.85 1xfl h LYS 102 Cb 1.14 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xfl h LYS 102 CO 0.50 -0.02 -0.56 0.22 -2.27 0.00 0.00 179.45 177.32 1xfl h ASP 103 N -0.16 0.87 -0.71 4.20 3.58 -1.99 -2.22 116.42 120.00 1xfl h ASP 103 Ca -0.01 -0.57 -0.06 0.00 0.42 0.00 0.00 57.03 56.81 1xfl h ASP 103 Cb 0.13 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1xfl h ASP 103 CO 0.02 1.29 0.22 -0.33 -2.88 0.00 0.00 179.24 177.56 1xfl h GLU 104 N 0.50 1.10 0.20 0.28 4.39 -1.98 0.65 114.58 119.73 1xfl h GLU 104 Ca -0.01 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1xfl h GLU 104 Cb 1.17 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1xfl h GLU 104 CO 0.12 0.94 -0.10 1.25 -1.16 0.00 0.00 179.01 180.07 1xfl h LEU 105 N 1.04 -0.23 -1.57 1.33 5.85 -1.11 0.70 115.31 121.33 1xfl h LEU 105 Ca 0.23 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1xfl h LEU 105 Cb 0.30 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1xfl h LEU 105 CO -0.01 -0.04 0.36 1.56 -0.34 0.00 0.00 178.44 179.97 1xfl h GLN 106 N -0.41 0.53 -0.20 1.25 1.08 -1.22 0.24 115.11 116.38 1xfl h GLN 106 Ca -0.03 -0.03 -0.19 0.00 -1.45 0.00 0.00 58.65 56.96 1xfl h GLN 106 Cb 0.32 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1xfl h GLN 106 CO 0.05 0.35 -0.62 0.77 -0.95 0.00 0.00 178.83 178.43 1xfl h SER 107 N 0.55 0.78 -0.48 1.46 0.02 -0.47 -0.33 113.55 115.08 1xfl h SER 107 Ca 0.22 -0.45 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1xfl h SER 107 Cb 0.20 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1xfl h SER 107 CO -0.06 1.21 -0.09 0.74 -1.14 0.00 0.00 176.83 177.49 1xfl h THR 108 N 0.51 1.26 -0.37 -2.27 2.02 0.35 0.12 112.91 114.53 1xfl h THR 108 Ca -0.01 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 1xfl h THR 108 Cb 1.21 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1xfl h THR 108 CO 0.12 0.43 -0.15 0.40 0.37 0.00 0.00 175.52 176.69 1xfl h ILE 109 N 0.86 1.26 -0.15 3.11 2.04 -0.43 -0.58 117.51 123.62 1xfl h ILE 109 Ca 0.14 -1.18 -0.11 0.00 1.00 0.00 0.00 64.86 64.71 1xfl h ILE 109 Cb 0.63 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1xfl h ILE 109 CO 0.04 0.39 -0.41 0.00 0.00 0.00 0.00 178.15 178.18 1xfl h ALA 110 N 1.22 1.03 -0.52 1.87 0.00 -0.65 0.43 119.26 122.64 1xfl h ALA 110 Ca 0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1xfl h ALA 110 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xfl h ALA 110 CO 0.04 0.61 0.04 0.87 0.00 0.00 0.00 179.25 180.81 1xfl h LYS 111 N 0.28 0.85 0.00 0.00 1.57 -0.41 -2.85 116.57 116.01 1xfl h LYS 111 Ca 0.02 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1xfl h LYS 111 Cb 0.84 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1xfl h LYS 111 CO 0.07 0.82 -0.77 0.45 -0.57 0.00 0.00 179.45 179.45 1xfl h HIS 112 N 0.80 0.00 -2.19 -1.35 3.86 -0.70 -3.45 115.15 112.12 1xfl h HIS 112 Ca 0.16 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.79 1xfl h HIS 112 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1xfl h HIS 112 CO 0.02 0.32 1.42 -1.17 0.86 0.00 0.00 177.93 179.39 1xfl s LEU 113 N -5.99 3.52 0.00 2.43 1.98 0.15 -5.08 118.68 115.68 1xfl s LEU 113 Ca 0.02 1.78 0.00 0.00 -2.89 0.00 0.00 54.13 53.04 1xfl s LEU 113 Cb 0.08 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.41 1xfl s LEU 113 CO 0.76 -1.84 0.00 0.00 -1.89 0.00 0.00 176.35 173.38