#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 4.50 -0.10 3.04 0.00 -1.26 -5.05 121.76 122.90 1xfl s ALA 2 Ca 0.00 -1.90 -0.30 0.00 0.00 0.00 0.00 51.96 49.76 1xfl s ALA 2 Cb 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 1xfl s ALA 2 CO 0.00 -0.73 1.09 0.45 0.00 0.00 0.00 175.76 176.57 1xfl s SER 3 N -4.56 7.16 0.00 0.00 0.15 -1.26 -4.79 113.70 110.40 1xfl s SER 3 Ca 0.60 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.88 1xfl s SER 3 Cb -0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1xfl s SER 3 CO 0.38 -0.52 0.67 1.21 1.20 0.00 0.00 173.24 176.18 1xfl n GLU 4 N 5.20 0.00 -4.24 5.44 4.07 -1.26 -5.05 120.64 124.80 1xfl n GLU 4 Ca 0.10 -0.65 -0.18 0.00 -0.06 0.00 0.00 57.16 56.38 1xfl n GLU 4 Cb 0.48 -0.45 -0.11 0.00 -0.06 0.00 0.00 31.44 31.30 1xfl n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1xfl s GLU 5 N 0.00 1.01 0.00 5.31 1.03 -1.26 -4.73 118.70 120.05 1xfl s GLU 5 Ca 0.00 -1.24 0.00 0.00 0.03 0.00 0.00 54.97 53.76 1xfl s GLU 5 Cb 0.00 -0.86 0.00 0.00 -0.80 0.00 0.00 34.13 32.47 1xfl s GLU 5 CO 0.00 0.16 0.00 0.41 -1.33 0.00 0.00 175.26 174.50 1xfl n GLY 6 N 0.52 1.93 3.71 -3.83 0.00 0.58 -4.81 105.19 103.28 1xfl n GLY 6 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.02 4.15 -0.02 1.61 -2.07 -1.26 -4.75 119.66 117.29 1xfl s GLN 7 Ca 0.00 -0.24 0.07 0.00 -1.82 0.00 0.00 55.36 53.37 1xfl s GLN 7 Cb 0.00 -3.45 -0.02 0.00 -1.09 0.00 0.00 33.01 28.45 1xfl s GLN 7 CO 0.00 0.23 -0.23 0.08 -1.32 0.00 0.00 175.29 174.05 1xfl s VAL 8 N 0.56 2.28 -0.37 3.63 1.01 -1.26 -4.59 120.40 121.66 1xfl s VAL 8 Ca 0.08 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 1xfl s VAL 8 Cb -0.12 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1xfl s VAL 8 CO -0.00 0.57 0.65 -0.63 0.00 0.00 0.00 175.10 175.68 1xfl s ILE 9 N -0.65 4.86 -0.45 2.22 -1.09 0.62 -4.85 121.20 121.87 1xfl s ILE 9 Ca 0.10 0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 58.86 1xfl s ILE 9 Cb -0.10 -4.11 0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1xfl s ILE 9 CO -0.00 -0.38 0.48 0.00 -1.23 0.00 0.00 174.94 173.80 1xfl s ALA 10 N 2.76 3.44 -0.15 9.38 0.00 -1.26 -0.54 121.76 135.40 1xfl s ALA 10 Ca 0.24 -1.69 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 1xfl s ALA 10 Cb -0.14 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1xfl s ALA 10 CO 0.16 -1.73 0.19 0.00 0.00 0.00 0.00 175.76 174.38 1xfl n HIS 12 N 2.86 0.00 -4.35 0.00 8.25 -1.26 -4.27 115.22 116.45 1xfl n HIS 12 Ca -0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.08 1xfl n HIS 12 Cb 0.53 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 1xfl n HIS 12 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xfl s THR 13 N -1.03 1.43 0.20 1.59 -4.23 -1.26 -4.79 115.64 107.55 1xfl s THR 13 Ca 0.12 -1.29 0.15 0.00 -1.18 0.00 0.00 61.69 59.49 1xfl s THR 13 Cb 0.09 -1.30 0.06 0.00 1.34 0.00 0.00 72.50 72.69 1xfl s THR 13 CO 0.17 -0.02 1.67 1.62 -0.54 0.00 0.00 174.62 177.51 1xfl h VAL 14 N 4.29 1.14 -0.16 2.29 3.04 -1.98 -1.91 116.25 122.95 1xfl h VAL 14 Ca -0.42 -1.82 -0.03 0.00 -1.01 0.00 0.00 66.70 63.41 1xfl h VAL 14 Cb 1.18 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.50 1xfl h VAL 14 CO 0.42 0.48 -0.02 -0.08 -1.01 0.00 0.00 177.57 177.36 1xfl h GLU 15 N 0.00 0.30 -0.66 4.17 4.57 -1.98 0.12 114.58 121.09 1xfl h GLU 15 Ca -0.00 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 1xfl h GLU 15 Cb 1.01 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 1xfl h GLU 15 CO 0.06 0.56 0.25 1.15 -1.18 0.00 0.00 179.01 179.85 1xfl h THR 16 N 0.02 1.24 -0.00 0.32 2.02 -1.97 0.82 112.91 115.36 1xfl h THR 16 Ca 0.04 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.47 1xfl h THR 16 Cb 0.43 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1xfl h THR 16 CO 0.01 0.31 -0.31 -0.25 0.37 0.00 0.00 175.52 175.65 1xfl h TRP 17 N 0.95 -0.85 -0.67 3.16 2.91 -1.09 -0.34 115.95 120.01 1xfl h TRP 17 Ca 0.22 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.19 1xfl h TRP 17 Cb 0.23 0.38 -0.03 0.00 -0.51 0.00 0.00 29.16 29.23 1xfl h TRP 17 CO 0.02 -0.40 0.10 -0.97 -1.03 0.00 0.00 178.44 176.15 1xfl h ASN 18 N -0.46 1.07 -0.88 2.65 -1.24 -0.58 -2.52 115.58 113.62 1xfl h ASN 18 Ca 0.06 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.79 1xfl h ASN 18 Cb 0.55 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 1xfl h ASN 18 CO -0.26 1.06 0.47 -0.08 -1.29 0.00 0.00 177.43 177.33 1xfl h GLU 19 N 1.04 1.23 -0.18 6.67 4.81 -0.51 0.24 114.58 127.88 1xfl h GLU 19 Ca 0.20 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1xfl h GLU 19 Cb 0.45 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1xfl h GLU 19 CO 0.01 0.91 -0.51 1.96 -0.73 0.00 0.00 179.01 180.65 1xfl h GLN 20 N 1.23 0.50 -0.64 1.92 1.08 -0.90 -0.60 115.11 117.71 1xfl h GLN 20 Ca 0.31 -0.30 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1xfl h GLN 20 Cb 0.04 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1xfl h GLN 20 CO -0.05 0.89 0.04 -0.07 -0.95 0.00 0.00 178.83 178.70 1xfl h LEU 21 N 0.39 1.06 -0.54 1.46 3.38 -1.01 0.20 115.31 120.26 1xfl h LEU 21 Ca 0.01 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.76 1xfl h LEU 21 Cb 1.03 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1xfl h LEU 21 CO 0.09 1.09 0.22 -0.61 0.09 0.00 0.00 178.44 179.33 1xfl h GLN 22 N 1.01 0.41 -0.68 1.13 4.15 -0.17 0.19 115.11 121.16 1xfl h GLN 22 Ca 0.19 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 1xfl h GLN 22 Cb 0.52 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1xfl h GLN 22 CO 0.02 0.27 0.14 0.87 -1.93 0.00 0.00 178.83 178.21 1xfl h LYS 23 N 0.43 1.09 -0.77 1.69 1.79 -0.68 0.35 116.57 120.46 1xfl h LYS 23 Ca 0.25 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1xfl h LYS 23 Cb 0.25 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1xfl h LYS 23 CO -0.23 0.98 0.32 0.00 -1.08 0.00 0.00 179.45 179.44 1xfl h ALA 24 N 1.11 1.10 0.29 3.86 0.00 -0.23 -0.20 119.26 125.19 1xfl h ALA 24 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xfl h ALA 24 Cb 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xfl h ALA 24 CO 0.01 0.65 -0.14 -0.97 0.00 0.00 0.00 179.25 178.79 1xfl h ASN 25 N 1.12 -0.33 -0.59 0.00 -1.24 -0.29 0.69 115.58 114.94 1xfl h ASN 25 Ca 0.26 -0.20 0.01 0.00 0.71 0.00 0.00 56.30 57.08 1xfl h ASN 25 Cb 0.20 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 1xfl h ASN 25 CO -0.02 0.07 0.39 -0.08 -1.29 0.00 0.00 177.43 176.49 1xfl h GLU 26 N -0.79 0.77 -0.20 6.67 4.22 -0.23 -1.86 114.58 123.15 1xfl h GLU 26 Ca -0.04 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1xfl h GLU 26 Cb 0.51 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xfl h GLU 26 CO 0.07 0.51 0.00 0.43 -2.18 0.00 0.00 179.01 177.83 1xfl n SER 27 N -4.68 2.26 -2.40 1.04 7.64 -0.10 -4.91 113.62 112.47 1xfl n SER 27 Ca 0.04 -1.79 -0.18 0.00 1.01 0.00 0.00 58.87 57.95 1xfl n SER 27 Cb 0.03 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.72 -1.83 -3.20 1.43 5.02 -0.49 -4.94 118.16 114.87 1xfl n LYS 28 Ca 0.17 0.90 -0.36 0.00 -2.02 0.00 0.00 58.31 57.00 1xfl n LYS 28 Cb 0.43 -5.54 -0.06 0.00 -0.02 0.00 0.00 35.03 29.84 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 -2.91 4.68 0.18 -0.18 2.01 0.12 -4.39 115.64 115.13 1xfl s THR 29 Ca 0.00 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 1xfl s THR 29 Cb 0.00 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1xfl s THR 29 CO 0.00 0.23 1.20 -0.22 -0.69 0.00 0.00 174.62 175.15 1xfl s LEU 30 N -1.93 4.44 -0.06 4.42 0.20 -1.26 -2.73 118.68 121.77 1xfl s LEU 30 Ca 0.41 2.23 0.03 0.00 0.69 0.00 0.00 54.13 57.49 1xfl s LEU 30 Cb -0.16 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 1xfl s LEU 30 CO 0.20 -0.39 -0.16 0.54 -0.29 0.00 0.00 176.35 176.26 1xfl s VAL 31 N 0.00 1.37 -0.15 1.68 0.11 -1.18 -1.09 120.40 121.15 1xfl s VAL 31 Ca 0.53 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.94 1xfl s VAL 31 Cb -0.33 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 1xfl s VAL 31 CO 0.36 0.40 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.66 1xfl s VAL 32 N 0.30 1.83 -0.12 2.04 1.01 -0.53 -1.59 120.40 123.34 1xfl s VAL 32 Ca -0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1xfl s VAL 32 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1xfl s VAL 32 CO 0.03 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.89 1xfl s VAL 33 N 1.13 3.69 -0.38 2.92 1.01 -0.25 -2.28 120.40 126.23 1xfl s VAL 33 Ca -0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1xfl s VAL 33 Cb -0.14 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1xfl s VAL 33 CO -0.07 0.53 0.22 -0.62 0.00 0.00 0.00 175.10 175.16 1xfl s ASP 34 N 0.01 5.73 -0.30 3.32 -1.08 0.53 -0.64 116.67 124.25 1xfl s ASP 34 Ca -0.01 -1.07 -0.15 0.00 -0.52 0.00 0.00 52.55 50.81 1xfl s ASP 34 Cb -0.14 -2.02 -0.03 0.00 -1.46 0.00 0.00 42.92 39.27 1xfl s ASP 34 CO 0.03 -0.41 0.36 -0.36 0.52 0.00 0.00 175.17 175.30 1xfl s PHE 35 N 1.54 3.23 0.30 -5.34 0.08 0.10 0.02 117.98 117.91 1xfl s PHE 35 Ca 0.02 0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.34 1xfl s PHE 35 Cb -0.20 -2.60 -0.03 0.00 -0.57 0.00 0.00 43.02 39.62 1xfl s PHE 35 CO 0.06 -0.31 0.25 -0.08 -0.10 0.00 0.00 175.22 175.05 1xfl s THR 36 N 2.04 0.00 -0.06 0.64 -1.32 0.94 -0.18 115.64 117.70 1xfl s THR 36 Ca 0.13 -1.98 0.02 0.00 -1.21 0.00 0.00 61.69 58.64 1xfl s THR 36 Cb -0.16 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.34 1xfl s THR 36 CO 0.11 0.00 -0.08 0.00 -2.21 0.00 0.00 174.62 172.43 1xfl s ALA 37 N -3.60 1.00 0.47 11.08 0.00 -1.26 0.07 121.76 129.52 1xfl s ALA 37 Ca 0.40 -0.26 0.14 0.00 0.00 0.00 0.00 51.96 52.24 1xfl s ALA 37 Cb 0.03 -0.52 1.10 0.00 0.00 0.00 0.00 23.12 23.73 1xfl s ALA 37 CO 0.24 0.03 2.06 0.77 0.00 0.00 0.00 175.76 178.86 1xfl h SER 38 N 7.13 0.06 -0.21 0.00 0.02 -1.96 -1.27 113.55 117.31 1xfl h SER 38 Ca -0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1xfl h SER 38 Cb 1.17 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1xfl h SER 38 CO 0.47 0.13 0.00 -2.67 -1.14 0.00 0.00 176.83 173.62 1xfl n TRP 39 N -4.43 0.28 -3.44 3.45 4.27 -1.26 -4.85 117.44 111.45 1xfl n TRP 39 Ca -0.02 -0.14 -0.38 0.00 -3.89 0.00 0.00 57.50 53.07 1xfl n TRP 39 Cb 0.16 0.00 -0.08 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 7.87 -0.76 1.20 0.00 0.00 -1.88 -1.88 103.07 107.61 1xfl h GLY 41 Ca -0.35 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.37 1xfl h GLY 41 CO 0.68 -0.28 0.30 -0.56 0.00 0.00 0.00 176.54 176.69 1xfl h PRO 42 N -0.96 0.10 -0.48 4.80 0.13 -1.95 -0.27 132.00 133.36 1xfl h PRO 42 Ca -0.07 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 1xfl h PRO 42 Cb 0.56 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1xfl h PRO 42 CO 0.12 0.06 -0.15 0.00 -0.23 0.00 0.00 178.00 177.81 1xfl h ARG 44 N 0.80 0.94 -0.43 0.00 1.12 -0.25 -1.39 114.38 115.17 1xfl h ARG 44 Ca 0.12 -0.24 -0.07 0.00 -1.11 0.00 0.00 59.98 58.68 1xfl h ARG 44 Cb 0.71 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.54 1xfl h ARG 44 CO 0.05 0.89 -0.01 0.35 -3.11 0.00 0.00 179.97 178.14 1xfl h PHE 45 N 0.83 0.74 0.00 2.20 3.57 -0.86 -3.04 116.94 120.39 1xfl h PHE 45 Ca 0.18 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1xfl h PHE 45 Cb 0.39 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1xfl h PHE 45 CO 0.03 0.71 -0.95 0.97 -2.23 0.00 0.00 178.31 176.84 1xfl h ILE 46 N 0.66 0.26 -0.65 1.41 6.09 -0.91 -3.39 117.51 120.99 1xfl h ILE 46 Ca 0.13 -1.47 0.13 0.00 -1.37 0.00 0.00 64.86 62.28 1xfl h ILE 46 Cb 0.43 1.85 -0.09 0.00 0.47 0.00 0.00 36.82 39.47 1xfl h ILE 46 CO 0.02 0.15 0.16 0.00 -3.07 0.00 0.00 178.15 175.41 1xfl h ALA 47 N 1.75 0.81 -0.73 0.18 0.00 -1.13 -2.40 119.26 117.73 1xfl h ALA 47 Ca -0.05 0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1xfl h ALA 47 Cb 1.23 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1xfl h ALA 47 CO 0.02 -0.30 0.51 -1.35 0.00 0.00 0.00 179.25 178.13 1xfl h PRO 48 N 0.28 0.21 -0.19 0.00 0.11 -1.75 -0.18 132.00 130.48 1xfl h PRO 48 Ca 0.35 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 1xfl h PRO 48 Cb 0.54 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1xfl h PRO 48 CO -0.43 0.14 -0.50 0.35 -0.21 0.00 0.00 178.00 177.35 1xfl h PHE 49 N 0.21 0.62 -0.21 0.65 3.57 -1.72 -1.15 116.94 118.91 1xfl h PHE 49 Ca 0.36 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 1xfl h PHE 49 Cb 1.10 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1xfl h PHE 49 CO -0.00 0.91 -0.42 0.35 -2.23 0.00 0.00 178.31 176.92 1xfl h PHE 50 N 0.40 0.61 0.00 0.41 3.57 -1.09 0.21 116.94 121.05 1xfl h PHE 50 Ca 0.02 -0.18 -0.11 0.00 3.53 0.00 0.00 57.97 61.23 1xfl h PHE 50 Cb 1.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1xfl h PHE 50 CO 0.04 0.85 -0.52 0.00 -2.23 0.00 0.00 178.31 176.44 1xfl h ALA 51 N 1.13 0.89 -0.03 2.41 0.00 -1.33 -1.79 119.26 120.54 1xfl h ALA 51 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1xfl h ALA 51 Cb 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xfl h ALA 51 CO 0.08 0.66 -0.15 0.22 0.00 0.00 0.00 179.25 180.05 1xfl h ASP 52 N 0.00 0.18 -0.95 0.00 3.58 -0.57 -2.95 116.42 115.71 1xfl h ASP 52 Ca -0.01 -0.67 0.13 0.00 0.42 0.00 0.00 57.03 56.90 1xfl h ASP 52 Cb 1.10 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 42.02 1xfl h ASP 52 CO 0.07 0.83 0.60 0.25 -2.88 0.00 0.00 179.24 178.11 1xfl h LEU 53 N -0.45 0.81 -1.91 2.28 6.46 -0.60 0.22 115.31 122.13 1xfl h LEU 53 Ca -0.01 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 1xfl h LEU 53 Cb 0.82 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1xfl h LEU 53 CO 0.03 0.42 0.15 0.00 -0.62 0.00 0.00 178.44 178.42 1xfl h ALA 54 N 1.57 2.05 0.00 1.25 0.00 -1.15 -0.95 119.26 122.02 1xfl h ALA 54 Ca 0.47 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.19 1xfl h ALA 54 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xfl h ALA 54 CO -0.24 -0.10 -0.88 0.87 0.00 0.00 0.00 179.25 178.90 1xfl h LYS 55 N 0.12 0.00 -0.01 0.00 1.57 -0.84 0.17 116.57 117.58 1xfl h LYS 55 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xfl h LYS 55 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1xfl h LYS 55 CO -0.01 0.88 -0.22 1.63 -0.57 0.00 0.00 179.45 181.16 1xfl n LYS 56 N -3.36 1.07 -1.63 3.15 5.02 -0.52 -4.62 118.16 117.27 1xfl n LYS 56 Ca 0.00 -0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 55.20 1xfl n LYS 56 Cb 0.88 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1xfl n LYS 56 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1xfl n LEU 57 N -0.39 2.63 0.16 -0.35 -0.00 -0.48 -4.95 117.00 113.63 1xfl n LEU 57 Ca 0.13 1.14 -0.09 0.00 -0.00 0.00 0.00 56.01 57.19 1xfl n LEU 57 Cb 0.37 -1.37 -0.05 0.00 -0.00 0.00 0.00 43.42 42.36 1xfl n LEU 57 CO 0.24 -1.15 0.28 -0.65 -0.00 0.00 0.00 177.39 176.11 1xfl h PRO 58 N 2.00 -0.47 -0.68 1.47 0.11 -1.92 -3.45 132.00 129.05 1xfl h PRO 58 Ca -0.43 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1xfl h PRO 58 Cb 1.32 0.11 -0.17 0.00 0.11 0.00 0.00 31.00 32.37 1xfl h PRO 58 CO 0.60 -0.23 -0.33 1.21 -0.21 0.00 0.00 178.00 179.04 1xfl s ASN 59 N -5.03 -1.02 -0.03 -2.05 2.47 -1.26 -5.16 114.94 102.86 1xfl s ASN 59 Ca -0.09 -0.89 0.03 0.00 0.42 0.00 0.00 52.86 52.33 1xfl s ASN 59 Cb 0.01 1.32 0.00 0.00 -1.45 0.00 0.00 41.25 41.13 1xfl s ASN 59 CO 0.31 -0.07 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.82 1xfl s VAL 60 N 1.37 0.93 -0.23 -5.21 1.01 -1.26 -4.38 120.40 112.62 1xfl s VAL 60 Ca 0.22 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1xfl s VAL 60 Cb 0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1xfl s VAL 60 CO -0.09 0.28 0.48 -0.22 0.00 0.00 0.00 175.10 175.56 1xfl s LEU 61 N 0.18 4.10 0.02 3.92 0.20 -0.25 -4.98 118.68 121.87 1xfl s LEU 61 Ca -0.04 0.55 0.05 0.00 0.69 0.00 0.00 54.13 55.38 1xfl s LEU 61 Cb -0.09 -2.63 -0.03 0.00 -0.43 0.00 0.00 46.19 43.00 1xfl s LEU 61 CO 0.01 -0.21 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.39 1xfl s PHE 62 N 1.91 2.75 0.01 5.38 0.08 -1.26 -1.46 117.98 125.40 1xfl s PHE 62 Ca 0.21 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.16 1xfl s PHE 62 Cb -0.15 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1xfl s PHE 62 CO 0.09 0.32 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.92 1xfl s LEU 63 N -1.44 2.09 -0.30 -0.37 1.02 -0.97 -0.27 118.68 118.44 1xfl s LEU 63 Ca 0.16 -0.29 -0.08 0.00 0.02 0.00 0.00 54.13 53.94 1xfl s LEU 63 Cb -0.11 -0.49 -0.00 0.00 0.02 0.00 0.00 46.19 45.61 1xfl s LEU 63 CO 0.07 0.06 0.10 -0.54 0.02 0.00 0.00 176.35 176.06 1xfl s LYS 64 N -0.63 3.24 -0.22 1.70 -0.14 0.30 -0.35 119.74 123.64 1xfl s LYS 64 Ca 0.02 -0.77 -0.01 0.00 -1.36 0.00 0.00 55.97 53.85 1xfl s LYS 64 Cb -0.06 -3.43 0.02 0.00 -1.68 0.00 0.00 37.83 32.68 1xfl s LYS 64 CO 0.00 -0.41 -0.10 0.08 -0.76 0.00 0.00 175.35 174.17 1xfl s VAL 65 N 1.55 2.74 -0.45 3.17 1.01 0.10 -2.24 120.40 126.28 1xfl s VAL 65 Ca 0.04 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 1xfl s VAL 65 Cb -0.17 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1xfl s VAL 65 CO 0.04 0.36 1.08 -0.62 0.00 0.00 0.00 175.10 175.96 1xfl s ASP 66 N 1.35 6.64 0.01 3.32 2.15 -1.25 -0.04 116.67 128.85 1xfl s ASP 66 Ca 0.03 0.47 0.16 0.00 0.43 0.00 0.00 52.55 53.64 1xfl s ASP 66 Cb -0.15 -2.53 0.70 0.00 -0.30 0.00 0.00 42.92 40.65 1xfl s ASP 66 CO -0.07 -1.16 1.53 0.35 -0.17 0.00 0.00 175.17 175.65 1xfl n THR 67 N 6.62 0.88 0.00 1.71 -2.24 0.11 -0.26 114.28 121.10 1xfl n THR 67 Ca 0.11 0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.93 1xfl n THR 67 Cb 0.49 -0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.35 0.29 3.42 1.82 -1.90 -2.91 116.42 117.48 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 0.28 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1xfl h ASP 68 CO 0.00 1.19 -0.14 -0.33 -1.61 0.00 0.00 179.24 178.35 1xfl h GLU 69 N -0.44 -0.37 -2.29 0.28 5.08 -1.86 -3.31 114.58 111.67 1xfl h GLU 69 Ca -0.08 0.03 -0.47 0.00 -1.00 0.00 0.00 59.36 57.83 1xfl h GLU 69 Cb 1.32 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 1xfl h GLU 69 CO 0.10 -0.12 1.11 1.28 -1.00 0.00 0.00 179.01 180.38 1xfl n LEU 70 N -5.04 6.76 -0.20 1.33 7.99 0.64 -4.56 117.00 123.93 1xfl n LEU 70 Ca -0.07 -3.98 -0.08 0.00 -0.01 0.00 0.00 56.01 51.88 1xfl n LEU 70 Cb 0.22 -1.37 0.06 0.00 -0.11 0.00 0.00 43.42 42.21 1xfl n LEU 70 CO 0.19 1.84 0.85 0.50 -1.51 0.00 0.00 177.39 179.26 1xfl h LYS 71 N 3.64 1.03 -0.25 3.23 3.64 -1.60 -0.90 116.57 125.35 1xfl h LYS 71 Ca 0.47 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1xfl h LYS 71 Cb 0.83 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1xfl h LYS 71 CO 0.93 0.99 -0.09 0.77 -2.27 0.00 0.00 179.45 179.79 1xfl h SER 72 N 0.94 0.37 -0.30 4.20 0.02 -1.86 -1.75 113.55 115.18 1xfl h SER 72 Ca 0.17 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1xfl h SER 72 Cb 0.52 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1xfl h SER 72 CO 0.02 0.50 -0.35 0.58 -1.14 0.00 0.00 176.83 176.45 1xfl h VAL 73 N 0.37 1.29 -0.96 2.27 2.07 -1.67 -0.26 116.25 119.37 1xfl h VAL 73 Ca 0.08 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.10 1xfl h VAL 73 Cb 0.39 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1xfl h VAL 73 CO 0.02 0.49 0.63 0.00 0.02 0.00 0.00 177.57 178.73 1xfl h ALA 74 N 0.71 1.25 -0.01 1.67 0.00 -0.78 -0.02 119.26 122.07 1xfl h ALA 74 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1xfl h ALA 74 Cb 0.93 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xfl h ALA 74 CO 0.08 0.55 -0.67 0.77 0.00 0.00 0.00 179.25 179.99 1xfl h SER 75 N 1.25 0.07 -0.01 0.00 0.02 -1.16 0.11 113.55 113.83 1xfl h SER 75 Ca 0.37 -0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 61.10 1xfl h SER 75 Cb -0.06 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1xfl h SER 75 CO -0.10 0.72 -0.60 -0.78 -1.14 0.00 0.00 176.83 174.92 1xfl h ASP 76 N 0.04 0.69 -0.06 3.07 3.58 0.14 -2.82 116.42 121.06 1xfl h ASP 76 Ca -0.01 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1xfl h ASP 76 Cb 1.18 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1xfl h ASP 76 CO 0.09 1.13 0.00 0.79 -2.88 0.00 0.00 179.24 178.38 1xfl n TRP 77 N -3.94 0.06 -2.69 0.28 7.02 -0.14 -4.99 117.44 113.04 1xfl n TRP 77 Ca -0.04 -0.03 -0.03 0.00 -1.02 0.00 0.00 57.50 56.38 1xfl n TRP 77 Cb 0.64 0.00 0.00 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 0.51 -3.32 -3.90 6.99 0.00 -0.69 -5.05 120.51 115.05 1xfl n ALA 78 Ca 0.18 0.69 -0.27 0.00 0.00 0.00 0.00 53.44 54.03 1xfl n ALA 78 Cb 0.41 -1.83 -0.17 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.87 1.06 -0.23 0.00 1.01 0.29 -4.98 121.20 116.48 1xfl s ILE 79 Ca 0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1xfl s ILE 79 Cb -0.02 -1.14 -0.19 0.00 0.01 0.00 0.00 42.46 41.12 1xfl s ILE 79 CO 0.74 0.27 -0.11 1.67 0.00 0.00 0.00 174.94 177.51 1xfl n GLN 80 N 4.92 0.67 -4.55 2.79 0.00 -1.26 -4.69 117.38 115.25 1xfl n GLN 80 Ca -0.12 0.19 -0.21 0.00 -0.00 0.00 0.00 57.00 56.86 1xfl n GLN 80 Cb 0.49 -1.56 -0.15 0.00 0.00 0.00 0.00 30.24 29.02 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 -2.52 1.03 0.20 1.69 0.00 -1.26 -5.14 121.76 115.76 1xfl s ALA 81 Ca -0.33 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1xfl s ALA 81 Cb 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1xfl s ALA 81 CO 0.63 0.24 0.41 -1.64 0.00 0.00 0.00 175.76 175.40 1xfl s MET 82 N -0.23 3.56 0.35 0.00 -1.94 -1.26 -4.20 119.30 115.57 1xfl s MET 82 Ca 0.04 -0.23 -0.06 0.00 -1.71 0.00 0.00 55.69 53.72 1xfl s MET 82 Cb -0.05 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 1xfl s MET 82 CO -0.00 0.39 0.65 -1.25 -0.01 0.00 0.00 175.02 174.79 1xfl s PRO 83 N -3.20 3.66 -0.14 2.03 0.04 -1.26 -4.57 135.00 131.57 1xfl s PRO 83 Ca 0.40 0.16 0.02 0.00 0.04 0.00 0.00 61.00 61.62 1xfl s PRO 83 Cb -0.11 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1xfl s PRO 83 CO 0.28 0.09 -0.22 0.99 0.04 0.00 0.00 177.00 178.18 1xfl s THR 84 N -2.25 2.07 -0.24 1.26 2.01 0.75 -0.25 115.64 118.98 1xfl s THR 84 Ca 0.46 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1xfl s THR 84 Cb -0.10 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1xfl s THR 84 CO 0.32 0.55 0.08 -0.36 -0.69 0.00 0.00 174.62 174.52 1xfl s PHE 85 N 0.82 3.11 -0.15 4.92 0.40 0.44 0.02 117.98 127.53 1xfl s PHE 85 Ca -0.07 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1xfl s PHE 85 Cb -0.15 -2.22 0.02 0.00 0.51 0.00 0.00 43.02 41.17 1xfl s PHE 85 CO -0.02 -0.28 -0.19 1.41 0.70 0.00 0.00 175.22 176.85 1xfl s MET 86 N 1.46 2.75 -0.29 0.44 1.75 0.19 0.39 119.30 125.98 1xfl s MET 86 Ca 0.06 -0.74 -0.10 0.00 -1.25 0.00 0.00 55.69 53.65 1xfl s MET 86 Cb -0.15 -2.35 -0.03 0.00 2.84 0.00 0.00 34.83 35.14 1xfl s MET 86 CO 0.04 -0.15 0.17 -0.06 -0.65 0.00 0.00 175.02 174.38 1xfl s PHE 87 N 1.17 3.19 0.29 4.11 0.40 0.80 -1.09 117.98 126.85 1xfl s PHE 87 Ca 0.00 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1xfl s PHE 87 Cb -0.14 -2.37 -0.06 0.00 0.51 0.00 0.00 43.02 40.96 1xfl s PHE 87 CO -0.08 -0.28 -0.06 -0.51 0.70 0.00 0.00 175.22 174.99 1xfl s LEU 88 N 1.70 2.51 -0.07 -0.37 1.02 -0.62 -1.48 118.68 121.38 1xfl s LEU 88 Ca 0.06 -1.19 0.00 0.00 0.02 0.00 0.00 54.13 53.02 1xfl s LEU 88 Cb -0.16 -0.69 0.02 0.00 0.02 0.00 0.00 46.19 45.38 1xfl s LEU 88 CO 0.09 -0.32 -0.05 -0.75 0.02 0.00 0.00 176.35 175.34 1xfl s LYS 89 N -3.71 1.00 -0.48 1.70 2.20 0.50 -3.08 119.74 117.86 1xfl s LYS 89 Ca 0.30 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1xfl s LYS 89 Cb 0.04 -1.09 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 1xfl s LYS 89 CO 0.13 -0.17 0.00 0.39 -0.36 0.00 0.00 175.35 175.33 1xfl n GLU 90 N 4.53 -1.22 -0.43 4.03 1.02 -1.10 -0.87 120.64 126.60 1xfl n GLU 90 Ca -0.17 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1xfl n GLU 90 Cb 0.50 -4.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.34 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 -0.62 0.75 3.75 0.62 0.00 -1.25 -4.03 105.19 104.40 1xfl n GLY 91 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.57 4.15 0.07 1.61 1.02 -0.04 -5.03 119.74 120.94 1xfl s LYS 92 Ca 0.00 -0.03 -0.31 0.00 0.02 0.00 0.00 55.97 55.65 1xfl s LYS 92 Cb 0.00 -3.39 -0.08 0.00 -0.52 0.00 0.00 37.83 33.84 1xfl s LYS 92 CO 0.00 0.33 1.60 0.42 -0.92 0.00 0.00 175.35 176.78 1xfl s ILE 93 N 0.24 3.12 -0.10 2.17 1.01 -1.26 -0.37 121.20 126.00 1xfl s ILE 93 Ca 0.13 0.59 -0.10 0.00 0.00 0.00 0.00 60.65 61.28 1xfl s ILE 93 Cb -0.12 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1xfl s ILE 93 CO 0.02 0.00 -0.21 0.18 0.00 0.00 0.00 174.94 174.93 1xfl n LEU 94 N 5.38 1.45 -3.51 2.97 4.77 -0.85 -4.89 117.00 122.33 1xfl n LEU 94 Ca 0.15 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1xfl n LEU 94 Cb 0.41 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1xfl n LEU 94 CO 0.62 -0.19 0.33 1.51 -1.33 0.00 0.00 177.39 178.32 1xfl s ASP 95 N -6.13 -0.48 -0.02 -1.43 1.47 -0.55 -5.04 116.67 104.49 1xfl s ASP 95 Ca -0.19 0.05 0.02 0.00 1.18 0.00 0.00 52.55 53.61 1xfl s ASP 95 Cb 0.05 0.54 0.00 0.00 -0.34 0.00 0.00 42.92 43.17 1xfl s ASP 95 CO 0.27 -0.85 -0.07 -1.59 0.68 0.00 0.00 175.17 173.60 1xfl s LYS 96 N -3.19 0.76 -0.21 2.11 -2.85 -1.26 -0.14 119.74 114.96 1xfl s LYS 96 Ca -0.01 -0.24 -0.02 0.00 -1.00 0.00 0.00 55.97 54.70 1xfl s LYS 96 Cb -0.00 -0.74 0.00 0.00 -2.06 0.00 0.00 37.83 35.03 1xfl s LYS 96 CO -0.08 0.09 -0.09 0.08 0.10 0.00 0.00 175.35 175.45 1xfl s VAL 97 N 0.20 2.95 -0.27 1.79 1.01 0.16 -4.97 120.40 121.26 1xfl s VAL 97 Ca -0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1xfl s VAL 97 Cb -0.07 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1xfl s VAL 97 CO 0.00 0.43 0.03 0.54 0.00 0.00 0.00 175.10 176.11 1xfl s VAL 98 N 1.41 3.66 0.00 2.92 0.11 -1.26 -0.42 120.40 126.82 1xfl s VAL 98 Ca 0.05 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1xfl s VAL 98 Cb -0.14 -2.84 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1xfl s VAL 98 CO -0.06 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 1xfl n GLY 99 N 4.82 2.72 3.52 6.54 0.00 0.65 -4.95 105.19 118.49 1xfl n GLY 99 Ca -0.16 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.29 3.28 -0.12 4.61 0.00 -1.26 -4.70 121.76 121.28 1xfl s ALA 100 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1xfl s ALA 100 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1xfl s ALA 100 CO 0.00 -2.04 -0.14 0.15 0.00 0.00 0.00 175.76 173.73 1xfl s LYS 101 N 3.30 2.11 0.01 0.00 1.02 -1.26 -5.03 119.74 119.90 1xfl s LYS 101 Ca 0.27 -0.51 -0.23 0.00 0.02 0.00 0.00 55.97 55.52 1xfl s LYS 101 Cb -0.14 -1.88 -0.17 0.00 -0.52 0.00 0.00 37.83 35.12 1xfl s LYS 101 CO 0.20 -0.14 1.32 -0.22 -0.92 0.00 0.00 175.35 175.59 1xfl h LYS 102 N 7.68 0.15 -0.23 1.68 3.64 -1.99 -2.66 116.57 124.85 1xfl h LYS 102 Ca -0.33 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 58.86 1xfl h LYS 102 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1xfl h LYS 102 CO 0.49 0.57 -0.33 0.22 -2.27 0.00 0.00 179.45 178.12 1xfl h ASP 103 N -0.27 0.69 -0.03 4.20 3.58 -1.98 -1.48 116.42 121.12 1xfl h ASP 103 Ca 0.01 -0.52 -0.07 0.00 0.42 0.00 0.00 57.03 56.88 1xfl h ASP 103 Cb 0.53 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1xfl h ASP 103 CO 0.01 1.07 -0.16 -0.08 -2.88 0.00 0.00 179.24 177.20 1xfl h GLU 104 N 0.32 0.36 0.30 0.28 4.81 -1.99 0.24 114.58 118.91 1xfl h GLU 104 Ca 0.02 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1xfl h GLU 104 Cb 0.92 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1xfl h GLU 104 CO 0.08 0.52 -0.15 1.25 -0.73 0.00 0.00 179.01 179.98 1xfl h LEU 105 N 0.33 -0.34 -1.30 1.64 5.85 -1.36 -0.33 115.31 119.80 1xfl h LEU 105 Ca 0.06 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.76 1xfl h LEU 105 Cb 0.48 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1xfl h LEU 105 CO 0.03 -0.10 0.53 1.56 -0.34 0.00 0.00 178.44 180.12 1xfl h GLN 106 N -0.59 0.77 -0.60 1.25 1.08 -0.84 0.25 115.11 116.43 1xfl h GLN 106 Ca -0.04 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 1xfl h GLN 106 Cb 0.43 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1xfl h GLN 106 CO 0.07 0.51 -0.01 0.77 -0.95 0.00 0.00 178.83 179.22 1xfl h SER 107 N 0.80 1.05 -0.07 1.46 0.02 -0.29 -0.21 113.55 116.31 1xfl h SER 107 Ca 0.37 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1xfl h SER 107 Cb 0.38 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1xfl h SER 107 CO -0.14 1.10 -0.37 0.74 -1.14 0.00 0.00 176.83 177.02 1xfl h THR 108 N 0.97 1.29 -0.27 -2.27 2.02 0.38 0.10 112.91 115.13 1xfl h THR 108 Ca 0.17 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 1xfl h THR 108 Cb 0.57 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1xfl h THR 108 CO 0.03 0.48 0.12 0.40 0.37 0.00 0.00 175.52 176.93 1xfl h ILE 109 N 0.48 1.16 -0.11 3.11 1.08 -0.18 -1.83 117.51 121.22 1xfl h ILE 109 Ca 0.05 -0.46 -0.07 0.00 -0.39 0.00 0.00 64.86 63.98 1xfl h ILE 109 Cb 0.87 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1xfl h ILE 109 CO 0.07 0.16 -0.27 0.00 -0.69 0.00 0.00 178.15 177.43 1xfl h ALA 110 N 0.98 1.35 -0.46 1.87 0.00 -0.82 0.13 119.26 122.31 1xfl h ALA 110 Ca 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xfl h ALA 110 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xfl h ALA 110 CO -0.01 0.45 0.30 -0.22 0.00 0.00 0.00 179.25 179.77 1xfl h LYS 111 N 0.18 0.60 0.00 0.00 3.64 -0.58 -2.74 116.57 117.67 1xfl h LYS 111 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xfl h LYS 111 Cb 0.57 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1xfl h LYS 111 CO 0.04 0.40 -0.33 0.45 -2.27 0.00 0.00 179.45 177.73 1xfl h HIS 112 N 0.62 0.00 -2.91 1.91 3.86 -0.85 -3.44 115.15 114.33 1xfl h HIS 112 Ca 0.17 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.82 1xfl h HIS 112 Cb -0.06 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1xfl h HIS 112 CO -0.05 0.00 0.99 -1.17 0.86 0.00 0.00 177.93 178.57 1xfl s LEU 113 N -5.78 4.05 0.00 2.43 1.98 0.42 -5.09 118.68 116.70 1xfl s LEU 113 Ca 0.05 1.61 0.00 0.00 -2.89 0.00 0.00 54.13 52.90 1xfl s LEU 113 Cb 0.07 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.38 1xfl s LEU 113 CO 0.70 -0.98 0.00 0.00 -1.89 0.00 0.00 176.35 174.19