#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 0.14 -2.02 -5.12 0.00 -1.26 -5.06 120.51 107.20 1xfl n ALA 2 Ca 0.00 -1.44 -0.26 0.00 0.00 0.00 0.00 53.44 51.74 1xfl n ALA 2 Cb 0.00 1.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.55 1xfl n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xfl s SER 3 N -2.82 4.95 -0.12 0.00 1.04 -1.26 -4.75 113.70 110.74 1xfl s SER 3 Ca 0.28 -1.18 -0.33 0.00 0.48 0.00 0.00 55.95 55.20 1xfl s SER 3 Cb 0.00 -2.58 0.13 0.00 0.10 0.00 0.00 66.02 63.67 1xfl s SER 3 CO 0.20 -3.06 1.14 -0.70 0.98 0.00 0.00 173.24 171.80 1xfl s GLU 4 N 6.87 0.45 0.49 4.02 2.56 -1.26 -5.18 118.70 126.65 1xfl s GLU 4 Ca 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.49 1xfl s GLU 4 Cb -0.04 0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.29 1xfl s GLU 4 CO 0.08 -0.20 0.00 -0.85 -0.56 0.00 0.00 175.26 173.73 1xfl n GLU 5 N -0.18 -2.65 -1.14 4.30 0.28 -1.26 -4.84 120.64 115.15 1xfl n GLU 5 Ca -0.03 2.17 -0.05 0.00 -0.16 0.00 0.00 57.16 59.10 1xfl n GLU 5 Cb 0.59 -3.20 -0.02 0.00 1.43 0.00 0.00 31.44 30.24 1xfl n GLU 5 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xfl n GLY 6 N -4.05 0.72 3.09 -1.84 0.00 -0.80 -4.96 105.19 97.34 1xfl n GLY 6 Ca -0.07 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.90 0.64 -0.21 1.61 -2.07 -1.26 -4.57 119.66 111.90 1xfl s GLN 7 Ca 0.00 -0.74 -0.01 0.00 -1.82 0.00 0.00 55.36 52.79 1xfl s GLN 7 Cb 0.00 -0.53 0.01 0.00 -1.09 0.00 0.00 33.01 31.41 1xfl s GLN 7 CO 0.00 0.11 -0.11 0.54 -1.32 0.00 0.00 175.29 174.51 1xfl s VAL 8 N -1.14 2.71 -0.37 3.63 0.11 -1.26 -3.67 120.40 120.41 1xfl s VAL 8 Ca -0.05 -0.81 -0.20 0.00 -2.93 0.00 0.00 61.98 57.99 1xfl s VAL 8 Cb -0.09 -2.23 0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1xfl s VAL 8 CO 0.01 0.42 0.63 -0.63 -3.33 0.00 0.00 175.10 172.20 1xfl s ILE 9 N 1.36 4.88 -0.44 7.04 1.01 0.49 -4.79 121.20 130.76 1xfl s ILE 9 Ca 0.04 0.49 -0.27 0.00 0.00 0.00 0.00 60.65 60.91 1xfl s ILE 9 Cb -0.14 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1xfl s ILE 9 CO -0.08 -0.37 0.99 0.00 0.00 0.00 0.00 174.94 175.49 1xfl s ALA 10 N 2.73 3.27 -0.15 9.38 0.00 -1.26 -0.24 121.76 135.48 1xfl s ALA 10 Ca 0.24 -0.58 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 1xfl s ALA 10 Cb -0.14 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 1xfl s ALA 10 CO 0.16 -1.97 0.74 0.00 0.00 0.00 0.00 175.76 174.68 1xfl n HIS 12 N 4.79 0.00 -4.07 0.00 8.25 -1.26 -3.77 115.22 119.16 1xfl n HIS 12 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1xfl n HIS 12 Cb 0.50 0.00 -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 -1.88 0.11 0.09 1.59 -4.23 -1.26 -4.84 115.64 105.22 1xfl s THR 13 Ca 0.14 -1.71 0.18 0.00 -1.18 0.00 0.00 61.69 59.12 1xfl s THR 13 Cb 0.13 -1.87 0.12 0.00 1.34 0.00 0.00 72.50 72.21 1xfl s THR 13 CO 0.39 -0.50 1.66 0.58 -0.54 0.00 0.00 174.62 176.21 1xfl h VAL 14 N 2.81 0.88 0.06 2.29 2.07 -1.99 -3.08 116.25 119.29 1xfl h VAL 14 Ca -0.34 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 65.48 1xfl h VAL 14 Cb 1.20 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1xfl h VAL 14 CO 0.57 0.40 -0.11 -0.08 0.02 0.00 0.00 177.57 178.38 1xfl h GLU 15 N 0.00 -0.21 -0.62 1.57 4.81 -1.98 0.55 114.58 118.71 1xfl h GLU 15 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1xfl h GLU 15 Cb 1.03 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1xfl h GLU 15 CO 0.05 -0.14 0.34 1.15 -0.73 0.00 0.00 179.01 179.69 1xfl h THR 16 N -0.21 1.20 0.43 0.32 2.02 -1.97 0.11 112.91 114.79 1xfl h THR 16 Ca 0.02 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1xfl h THR 16 Cb 0.23 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1xfl h THR 16 CO -0.06 0.21 -0.24 -0.25 0.37 0.00 0.00 175.52 175.55 1xfl h TRP 17 N 0.84 -0.63 -0.66 3.16 2.91 -1.36 -2.25 115.95 117.96 1xfl h TRP 17 Ca 0.22 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 1xfl h TRP 17 Cb 0.04 0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 1xfl h TRP 17 CO -0.01 -0.38 0.30 -0.97 -1.03 0.00 0.00 178.44 176.35 1xfl h ASN 18 N -0.63 0.87 -0.42 2.65 -1.24 0.23 -2.18 115.58 114.86 1xfl h ASN 18 Ca -0.05 -0.14 0.06 0.00 0.71 0.00 0.00 56.30 56.88 1xfl h ASN 18 Cb 0.50 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.28 1xfl h ASN 18 CO 0.06 0.77 0.10 -0.08 -1.29 0.00 0.00 177.43 177.00 1xfl h GLU 19 N 0.91 0.24 -0.07 6.67 4.81 -0.69 -1.40 114.58 125.06 1xfl h GLU 19 Ca 0.22 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.23 1xfl h GLU 19 Cb 0.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1xfl h GLU 19 CO -0.03 0.16 -0.81 1.96 -0.73 0.00 0.00 179.01 179.56 1xfl h GLN 20 N 0.24 0.49 -0.33 1.92 1.08 -1.20 -2.52 115.11 114.79 1xfl h GLN 20 Ca 0.20 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 56.95 1xfl h GLN 20 Cb 0.24 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1xfl h GLN 20 CO -0.25 1.07 0.12 -0.07 -0.95 0.00 0.00 178.83 178.75 1xfl h LEU 21 N 0.31 0.46 -1.51 1.46 3.38 -1.04 0.29 115.31 118.67 1xfl h LEU 21 Ca -0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1xfl h LEU 21 Cb 1.42 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1xfl h LEU 21 CO 0.15 0.52 -0.22 0.06 0.09 0.00 0.00 178.44 179.03 1xfl h GLN 22 N 0.38 0.04 -0.02 1.13 3.07 -1.28 -0.61 115.11 117.81 1xfl h GLN 22 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.83 1xfl h GLN 22 Cb 0.21 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 1xfl h GLN 22 CO -0.01 0.26 -0.02 -0.22 0.09 0.00 0.00 178.83 178.93 1xfl h LYS 23 N 0.03 0.05 -0.71 0.06 3.64 -0.97 -2.58 116.57 116.09 1xfl h LYS 23 Ca 0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xfl h LYS 23 Cb 0.41 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1xfl h LYS 23 CO 0.03 0.53 0.47 0.00 -2.27 0.00 0.00 179.45 178.21 1xfl h ALA 24 N 0.52 1.51 0.24 5.00 0.00 0.05 0.19 119.26 126.77 1xfl h ALA 24 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xfl h ALA 24 Cb 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xfl h ALA 24 CO 0.01 0.45 -0.12 -0.97 0.00 0.00 0.00 179.25 178.62 1xfl h ASN 25 N 0.95 -0.28 -0.45 0.00 -1.24 -1.19 -0.08 115.58 113.30 1xfl h ASN 25 Ca 0.26 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1xfl h ASN 25 Cb -0.09 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1xfl h ASN 25 CO -0.06 0.11 0.23 -0.08 -1.29 0.00 0.00 177.43 176.34 1xfl h GLU 26 N -0.71 0.64 -0.01 6.67 4.22 -1.05 -2.25 114.58 122.08 1xfl h GLU 26 Ca -0.03 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1xfl h GLU 26 Cb 0.49 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xfl h GLU 26 CO 0.05 0.52 -0.11 0.43 -2.18 0.00 0.00 179.01 177.73 1xfl n SER 27 N -4.67 0.64 -2.70 1.04 7.64 0.62 -4.90 113.62 111.30 1xfl n SER 27 Ca 0.01 -0.77 -0.20 0.00 1.01 0.00 0.00 58.87 58.92 1xfl n SER 27 Cb 0.10 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.77 -3.01 -2.96 1.43 5.02 -0.20 -4.94 118.16 112.72 1xfl n LYS 28 Ca 0.16 0.88 -0.37 0.00 -2.02 0.00 0.00 58.31 56.96 1xfl n LYS 28 Cb 0.28 -5.61 -0.06 0.00 -0.02 0.00 0.00 35.03 29.62 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 -3.02 4.41 -0.03 -0.18 2.01 -0.28 -4.23 115.64 114.32 1xfl s THR 29 Ca 0.14 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.37 1xfl s THR 29 Cb -0.06 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1xfl s THR 29 CO 0.17 0.18 0.94 -0.22 -0.69 0.00 0.00 174.62 175.00 1xfl s LEU 30 N -2.00 4.34 0.02 4.42 0.20 -1.26 -2.33 118.68 122.08 1xfl s LEU 30 Ca 0.46 1.56 0.06 0.00 0.69 0.00 0.00 54.13 56.90 1xfl s LEU 30 Cb -0.18 -3.48 -0.02 0.00 -0.43 0.00 0.00 46.19 42.08 1xfl s LEU 30 CO 0.22 -0.26 -0.17 0.54 -0.29 0.00 0.00 176.35 176.39 1xfl s VAL 31 N 1.11 1.34 -0.08 1.68 0.11 -1.09 -1.83 120.40 121.64 1xfl s VAL 31 Ca 0.49 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1xfl s VAL 31 Cb -0.20 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.50 1xfl s VAL 31 CO 0.25 0.22 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.40 1xfl s VAL 32 N -0.62 1.42 -0.07 2.04 1.01 -0.27 -2.38 120.40 121.52 1xfl s VAL 32 Ca 0.05 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1xfl s VAL 32 Cb -0.07 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1xfl s VAL 32 CO 0.01 0.42 -0.24 -0.69 0.00 0.00 0.00 175.10 174.59 1xfl s VAL 33 N 0.69 2.09 -0.15 2.92 1.01 -0.14 -1.31 120.40 125.52 1xfl s VAL 33 Ca -0.13 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1xfl s VAL 33 Cb -0.16 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1xfl s VAL 33 CO 0.03 0.57 -0.12 -0.62 0.00 0.00 0.00 175.10 174.96 1xfl s ASP 34 N -0.00 3.96 -0.30 3.32 2.15 -0.47 0.07 116.67 125.39 1xfl s ASP 34 Ca -0.08 -0.38 -0.12 0.00 0.43 0.00 0.00 52.55 52.40 1xfl s ASP 34 Cb -0.15 -1.62 -0.04 0.00 -0.30 0.00 0.00 42.92 40.82 1xfl s ASP 34 CO 0.05 0.11 0.24 -0.36 -0.17 0.00 0.00 175.17 175.05 1xfl s PHE 35 N 0.65 3.22 0.13 -5.34 0.08 0.13 -1.25 117.98 115.61 1xfl s PHE 35 Ca -0.07 0.04 -0.14 0.00 0.12 0.00 0.00 56.93 56.89 1xfl s PHE 35 Cb -0.15 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.86 1xfl s PHE 35 CO 0.02 -0.25 0.35 -0.08 -0.10 0.00 0.00 175.22 175.16 1xfl s THR 36 N 1.81 0.08 0.05 0.64 -1.32 -1.04 -2.17 115.64 113.70 1xfl s THR 36 Ca 0.08 -0.83 0.02 0.00 -1.21 0.00 0.00 61.69 59.76 1xfl s THR 36 Cb -0.16 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 1xfl s THR 36 CO 0.11 -0.39 -0.08 0.00 -2.21 0.00 0.00 174.62 172.05 1xfl s ALA 37 N -3.84 0.71 -0.01 11.08 0.00 -1.26 0.90 121.76 129.33 1xfl s ALA 37 Ca 0.05 -0.88 0.32 0.00 0.00 0.00 0.00 51.96 51.45 1xfl s ALA 37 Cb 0.03 0.05 1.33 0.00 0.00 0.00 0.00 23.12 24.52 1xfl s ALA 37 CO -0.10 -0.03 1.94 1.03 0.00 0.00 0.00 175.76 178.60 1xfl h SER 38 N 4.23 0.00 -0.54 0.00 0.87 -1.94 -2.14 113.55 114.04 1xfl h SER 38 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1xfl h SER 38 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1xfl h SER 38 CO 0.44 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.07 1xfl n TRP 39 N -2.87 0.71 -3.49 2.24 4.27 -1.26 -4.95 117.44 112.09 1xfl n TRP 39 Ca 0.01 -0.36 -0.25 0.00 -3.89 0.00 0.00 57.50 53.01 1xfl n TRP 39 Cb 0.27 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.20 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 -1.31 -0.14 0.42 0.00 0.00 -1.26 -4.69 105.19 98.21 1xfl n GLY 41 Ca -0.04 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.21 1xfl n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfl h PRO 42 N 0.00 0.09 -0.23 1.61 0.13 -1.98 -0.86 132.00 130.75 1xfl h PRO 42 Ca 0.00 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 1xfl h PRO 42 Cb 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 1xfl h PRO 42 CO 0.00 0.06 -0.20 0.00 -0.23 0.00 0.00 178.00 177.62 1xfl h ARG 44 N 0.37 0.00 0.09 0.00 2.43 -1.42 0.14 114.38 115.99 1xfl h ARG 44 Ca 0.06 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.98 1xfl h ARG 44 Cb 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1xfl h ARG 44 CO 0.04 0.00 -1.18 0.35 -1.51 0.00 0.00 179.97 177.67 1xfl h PHE 45 N 0.00 0.34 0.00 2.20 3.57 -1.57 -3.34 116.94 118.14 1xfl h PHE 45 Ca -0.00 -0.24 -0.08 0.00 3.53 0.00 0.00 57.97 61.18 1xfl h PHE 45 Cb 0.01 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xfl h PHE 45 CO 0.00 1.20 -1.15 0.97 -2.23 0.00 0.00 178.31 177.09 1xfl h ILE 46 N 0.05 0.25 -0.56 1.41 6.09 -1.27 -3.39 117.51 120.09 1xfl h ILE 46 Ca -0.10 -1.48 0.11 0.00 -1.37 0.00 0.00 64.86 62.02 1xfl h ILE 46 Cb 1.91 1.77 -0.09 0.00 0.47 0.00 0.00 36.82 40.89 1xfl h ILE 46 CO 0.18 0.14 0.06 0.00 -3.07 0.00 0.00 178.15 175.46 1xfl h ALA 47 N 1.72 0.60 -0.02 0.18 0.00 -0.88 -1.31 119.26 119.56 1xfl h ALA 47 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xfl h ALA 47 Cb 1.28 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1xfl h ALA 47 CO 0.02 -0.35 0.02 -1.35 0.00 0.00 0.00 179.25 177.59 1xfl h PRO 48 N 0.19 0.00 0.11 0.00 0.11 -1.78 -0.74 132.00 129.89 1xfl h PRO 48 Ca 0.29 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.13 1xfl h PRO 48 Cb 0.43 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.55 1xfl h PRO 48 CO -0.42 0.00 -1.19 0.35 -0.21 0.00 0.00 178.00 176.53 1xfl h PHE 49 N 0.00 0.59 -0.17 0.65 3.57 -1.51 -2.65 116.94 117.41 1xfl h PHE 49 Ca 0.01 -0.40 -0.11 0.00 3.53 0.00 0.00 57.97 61.00 1xfl h PHE 49 Cb 0.04 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1xfl h PHE 49 CO 0.00 1.28 -0.35 0.35 -2.23 0.00 0.00 178.31 177.36 1xfl h PHE 50 N 0.13 0.41 0.00 0.41 3.57 -0.72 -0.19 116.94 120.55 1xfl h PHE 50 Ca -0.13 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.19 1xfl h PHE 50 Cb 1.89 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.53 1xfl h PHE 50 CO 0.07 0.67 -0.35 0.00 -2.23 0.00 0.00 178.31 176.47 1xfl h ALA 51 N 1.32 1.29 -0.12 2.41 0.00 -1.19 -1.91 119.26 121.08 1xfl h ALA 51 Ca 0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1xfl h ALA 51 Cb 0.77 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xfl h ALA 51 CO 0.06 0.43 -0.52 0.22 0.00 0.00 0.00 179.25 179.45 1xfl h ASP 52 N 0.00 0.65 -0.86 0.00 3.58 -0.95 -2.98 116.42 115.86 1xfl h ASP 52 Ca -0.00 -0.63 0.11 0.00 0.42 0.00 0.00 57.03 56.92 1xfl h ASP 52 Cb 0.67 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 1xfl h ASP 52 CO 0.05 1.18 0.56 -0.07 -2.88 0.00 0.00 179.24 178.07 1xfl h LEU 53 N 0.17 0.72 -1.46 2.28 3.38 -0.78 -0.86 115.31 118.76 1xfl h LEU 53 Ca -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xfl h LEU 53 Cb 1.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1xfl h LEU 53 CO 0.11 0.41 0.01 0.00 0.09 0.00 0.00 178.44 179.05 1xfl h ALA 54 N 1.58 1.57 0.00 1.53 0.00 -1.20 -1.60 119.26 121.14 1xfl h ALA 54 Ca 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xfl h ALA 54 Cb 0.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xfl h ALA 54 CO -0.18 0.32 -0.12 -0.22 0.00 0.00 0.00 179.25 179.05 1xfl h LYS 55 N 0.35 0.00 0.25 0.00 3.64 -1.13 -2.14 116.57 117.53 1xfl h LYS 55 Ca 0.08 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.13 1xfl h LYS 55 Cb 0.22 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1xfl h LYS 55 CO 0.00 0.08 -1.45 0.87 -2.27 0.00 0.00 179.45 176.68 1xfl h LYS 56 N 0.00 0.54 -4.36 1.90 1.57 -0.72 -3.42 116.57 112.09 1xfl h LYS 56 Ca -0.00 -0.92 -0.73 0.00 -1.87 0.00 0.00 60.65 57.13 1xfl h LYS 56 Cb 1.06 0.34 -0.26 0.00 0.08 0.00 0.00 32.23 33.45 1xfl h LYS 56 CO 0.01 1.44 -0.40 -0.51 -0.57 0.00 0.00 179.45 179.42 1xfl s LEU 57 N -7.62 5.45 0.39 2.94 1.02 -0.88 -4.94 118.68 115.02 1xfl s LEU 57 Ca -0.09 -1.53 0.21 0.00 0.02 0.00 0.00 54.13 52.74 1xfl s LEU 57 Cb 0.04 -2.07 0.50 0.00 0.02 0.00 0.00 46.19 44.68 1xfl s LEU 57 CO 0.94 -0.62 1.64 1.55 0.02 0.00 0.00 176.35 179.89 1xfl h PRO 58 N 8.55 0.00 -0.68 1.29 0.13 -1.81 -3.13 132.00 136.35 1xfl h PRO 58 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1xfl h PRO 58 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xfl h PRO 58 CO 0.83 0.27 0.00 0.27 -0.23 0.00 0.00 178.00 179.14 1xfl n ASN 59 N -3.25 3.90 -4.36 1.44 6.94 -1.26 -4.31 115.26 114.37 1xfl n ASN 59 Ca 0.02 -2.00 -0.32 0.00 -0.02 0.00 0.00 54.58 52.25 1xfl n ASN 59 Cb 0.56 -0.45 -0.15 0.00 -2.36 0.00 0.00 39.78 37.38 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xfl s VAL 60 N -1.10 2.74 -0.21 3.53 1.01 -1.18 -4.22 120.40 120.96 1xfl s VAL 60 Ca 0.48 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1xfl s VAL 60 Cb 0.25 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1xfl s VAL 60 CO 0.34 0.56 0.19 -0.22 0.00 0.00 0.00 175.10 175.97 1xfl s LEU 61 N -0.05 4.16 -0.01 3.92 0.20 -0.76 -4.81 118.68 121.33 1xfl s LEU 61 Ca -0.04 0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.06 1xfl s LEU 61 Cb -0.14 -2.18 -0.03 0.00 -0.43 0.00 0.00 46.19 43.41 1xfl s LEU 61 CO 0.04 0.09 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.72 1xfl s PHE 62 N 0.81 2.79 0.06 5.38 0.40 -1.24 -1.11 117.98 125.07 1xfl s PHE 62 Ca 0.10 -0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1xfl s PHE 62 Cb -0.13 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1xfl s PHE 62 CO 0.03 0.31 -0.14 -0.51 0.70 0.00 0.00 175.22 175.61 1xfl s LEU 63 N -1.20 2.24 -0.26 -0.37 1.02 -0.43 -0.38 118.68 119.31 1xfl s LEU 63 Ca 0.15 -0.56 -0.03 0.00 0.02 0.00 0.00 54.13 53.71 1xfl s LEU 63 Cb -0.11 -0.53 0.02 0.00 0.02 0.00 0.00 46.19 45.59 1xfl s LEU 63 CO 0.05 -0.04 -0.02 -0.75 0.02 0.00 0.00 176.35 175.60 1xfl s LYS 64 N -1.54 2.98 -0.32 1.70 2.20 0.66 -1.37 119.74 124.05 1xfl s LYS 64 Ca -0.01 -0.90 -0.16 0.00 -0.36 0.00 0.00 55.97 54.54 1xfl s LYS 64 Cb -0.09 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1xfl s LYS 64 CO 0.02 -0.38 0.41 0.08 -0.36 0.00 0.00 175.35 175.11 1xfl s VAL 65 N 1.39 5.13 -0.39 4.02 1.01 -0.38 -0.89 120.40 130.29 1xfl s VAL 65 Ca 0.02 0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 1xfl s VAL 65 Cb -0.16 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1xfl s VAL 65 CO -0.03 -0.06 0.83 -0.62 0.00 0.00 0.00 175.10 175.22 1xfl s ASP 66 N 1.71 6.55 0.00 3.32 -1.08 -1.25 -2.48 116.67 123.45 1xfl s ASP 66 Ca 0.14 0.30 0.19 0.00 -0.52 0.00 0.00 52.55 52.66 1xfl s ASP 66 Cb -0.16 -2.41 0.86 0.00 -1.46 0.00 0.00 42.92 39.75 1xfl s ASP 66 CO 0.12 -0.82 1.59 0.41 0.52 0.00 0.00 175.17 176.99 1xfl n THR 67 N 5.95 0.60 0.11 1.71 -1.04 0.26 0.47 114.28 122.35 1xfl n THR 67 Ca 0.04 0.15 -0.17 0.00 -2.04 0.00 0.00 64.05 62.03 1xfl n THR 67 Cb 0.48 -0.83 -0.14 0.00 -1.82 0.00 0.00 70.33 68.02 1xfl n THR 67 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1xfl h ASP 68 N 0.00 0.46 0.00 8.00 3.58 -1.90 -3.16 116.42 123.41 1xfl h ASP 68 Ca 0.00 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 56.90 1xfl h ASP 68 Cb 0.26 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1xfl h ASP 68 CO 0.00 1.39 -0.71 -0.62 -2.88 0.00 0.00 179.24 176.42 1xfl n GLU 69 N -3.55 0.48 -1.62 0.28 1.02 -0.85 -4.40 120.64 112.00 1xfl n GLU 69 Ca -0.09 0.53 -0.35 0.00 -0.02 0.00 0.00 57.16 57.22 1xfl n GLU 69 Cb 1.03 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.79 1xfl n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xfl n LEU 70 N -4.57 7.41 -0.37 -4.62 7.99 0.18 -4.70 117.00 118.31 1xfl n LEU 70 Ca -0.13 -4.48 -0.02 0.00 -0.01 0.00 0.00 56.01 51.36 1xfl n LEU 70 Cb 0.37 -1.06 0.11 0.00 -0.11 0.00 0.00 43.42 42.73 1xfl n LEU 70 CO 0.13 1.63 1.29 0.50 -1.51 0.00 0.00 177.39 179.43 1xfl h LYS 71 N 2.59 1.29 -0.40 3.23 3.64 -1.70 -0.26 116.57 124.96 1xfl h LYS 71 Ca 0.54 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.73 1xfl h LYS 71 Cb 0.40 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xfl h LYS 71 CO 1.38 0.85 -0.22 0.66 -2.27 0.00 0.00 179.45 179.85 1xfl h SER 72 N 1.33 0.82 -0.30 4.20 4.64 -1.87 0.07 113.55 122.44 1xfl h SER 72 Ca 0.37 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1xfl h SER 72 Cb -0.14 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.72 1xfl h SER 72 CO -0.08 1.01 -0.01 0.58 -0.87 0.00 0.00 176.83 177.46 1xfl h VAL 73 N 0.70 1.26 -0.58 0.95 2.07 -1.67 0.93 116.25 119.90 1xfl h VAL 73 Ca 0.10 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1xfl h VAL 73 Cb 0.74 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1xfl h VAL 73 CO 0.06 0.31 0.23 0.00 0.02 0.00 0.00 177.57 178.19 1xfl h ALA 74 N 0.83 0.76 -0.04 1.67 0.00 -0.95 -1.66 119.26 119.87 1xfl h ALA 74 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xfl h ALA 74 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xfl h ALA 74 CO 0.02 0.37 -0.20 0.77 0.00 0.00 0.00 179.25 180.20 1xfl h SER 75 N 0.80 0.06 -0.22 0.00 0.02 -0.77 0.20 113.55 113.64 1xfl h SER 75 Ca 0.19 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1xfl h SER 75 Cb 0.20 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1xfl h SER 75 CO -0.02 0.27 -0.19 -0.78 -1.14 0.00 0.00 176.83 174.97 1xfl h ASP 76 N 0.06 0.67 -0.06 3.07 3.58 0.03 -1.58 116.42 122.20 1xfl h ASP 76 Ca 0.01 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1xfl h ASP 76 Cb 0.40 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1xfl h ASP 76 CO 0.03 0.86 0.00 0.79 -2.88 0.00 0.00 179.24 178.04 1xfl n TRP 77 N -4.13 0.08 -1.36 0.28 7.02 -0.71 -4.85 117.44 113.76 1xfl n TRP 77 Ca 0.00 -0.04 -0.11 0.00 -1.02 0.00 0.00 57.50 56.33 1xfl n TRP 77 Cb 0.40 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.24 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 -0.32 -0.18 -2.64 6.99 0.00 -0.59 -4.94 120.51 118.83 1xfl n ALA 78 Ca 0.02 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1xfl n ALA 78 Cb 0.06 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.43 4.00 -0.19 0.00 -1.09 -0.01 -4.68 121.20 116.79 1xfl s ILE 79 Ca 0.00 -0.44 0.16 0.00 -2.23 0.00 0.00 60.65 58.14 1xfl s ILE 79 Cb 0.00 -4.94 -0.23 0.00 -1.58 0.00 0.00 42.46 35.71 1xfl s ILE 79 CO 0.00 -1.81 0.04 1.67 -1.23 0.00 0.00 174.94 173.62 1xfl n GLN 80 N 8.62 0.87 -4.23 2.79 7.27 -1.26 -4.13 117.38 127.31 1xfl n GLN 80 Ca 0.18 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.91 1xfl n GLN 80 Cb 0.49 -1.49 -0.08 0.00 2.41 0.00 0.00 30.24 31.57 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xfl s ALA 81 N -2.46 3.43 0.05 1.69 0.00 -1.26 -5.11 121.76 118.09 1xfl s ALA 81 Ca -0.11 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.06 1xfl s ALA 81 Cb 0.06 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1xfl s ALA 81 CO 0.76 0.64 -0.16 -1.64 0.00 0.00 0.00 175.76 175.36 1xfl s MET 82 N -1.31 1.02 0.38 0.00 -1.94 -1.26 -4.12 119.30 112.06 1xfl s MET 82 Ca 0.18 -0.87 -0.09 0.00 -1.71 0.00 0.00 55.69 53.19 1xfl s MET 82 Cb -0.12 -1.07 -0.06 0.00 2.01 0.00 0.00 34.83 35.59 1xfl s MET 82 CO 0.08 0.26 0.72 -1.25 -0.01 0.00 0.00 175.02 174.82 1xfl s PRO 83 N -1.34 3.74 -0.12 2.03 0.04 -1.26 -4.60 135.00 133.49 1xfl s PRO 83 Ca 0.03 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.45 1xfl s PRO 83 Cb -0.09 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1xfl s PRO 83 CO 0.02 0.02 -0.19 0.99 0.04 0.00 0.00 177.00 177.87 1xfl s THR 84 N -2.31 1.83 -0.24 1.26 2.01 -0.92 -0.05 115.64 117.22 1xfl s THR 84 Ca 0.49 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 1xfl s THR 84 Cb -0.10 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1xfl s THR 84 CO 0.31 0.51 0.08 -0.36 -0.69 0.00 0.00 174.62 174.47 1xfl s PHE 85 N 0.83 3.12 -0.21 4.92 0.40 0.47 -0.69 117.98 126.82 1xfl s PHE 85 Ca -0.08 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1xfl s PHE 85 Cb -0.16 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 1xfl s PHE 85 CO -0.01 -0.25 -0.02 1.41 0.70 0.00 0.00 175.22 177.05 1xfl s MET 86 N 1.45 3.47 -0.27 0.44 1.75 0.11 0.11 119.30 126.36 1xfl s MET 86 Ca 0.06 -0.58 -0.08 0.00 -1.25 0.00 0.00 55.69 53.84 1xfl s MET 86 Cb -0.15 -3.05 -0.02 0.00 2.84 0.00 0.00 34.83 34.46 1xfl s MET 86 CO 0.04 -0.12 0.09 -0.06 -0.65 0.00 0.00 175.02 174.32 1xfl s PHE 87 N 1.32 3.12 0.12 4.11 0.40 0.12 -0.97 117.98 126.20 1xfl s PHE 87 Ca 0.04 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1xfl s PHE 87 Cb -0.14 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1xfl s PHE 87 CO -0.01 -0.42 -0.03 -0.48 0.70 0.00 0.00 175.22 174.99 1xfl s LEU 88 N 1.60 2.31 -0.07 -0.37 2.34 -1.00 -1.30 118.68 122.18 1xfl s LEU 88 Ca 0.05 -1.08 0.00 0.00 0.06 0.00 0.00 54.13 53.17 1xfl s LEU 88 Cb -0.16 -0.01 0.02 0.00 -0.56 0.00 0.00 46.19 45.48 1xfl s LEU 88 CO 0.04 -0.53 -0.06 -0.75 -1.06 0.00 0.00 176.35 173.99 1xfl s LYS 89 N -3.89 1.11 -0.62 1.48 2.20 0.12 -2.67 119.74 117.47 1xfl s LYS 89 Ca 0.17 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1xfl s LYS 89 Cb 0.06 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1xfl s LYS 89 CO -0.02 -0.16 0.00 0.39 -0.36 0.00 0.00 175.35 175.20 1xfl n GLU 90 N 4.48 -1.19 -0.42 4.03 1.02 -0.98 -0.69 120.64 126.88 1xfl n GLU 90 Ca -0.17 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1xfl n GLU 90 Cb 0.51 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.27 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 -0.70 0.71 3.73 0.62 0.00 -1.24 -4.24 105.19 104.07 1xfl n GLY 91 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.58 4.21 0.04 1.61 1.02 0.13 -5.02 119.74 121.14 1xfl s LYS 92 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 1xfl s LYS 92 Cb 0.00 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1xfl s LYS 92 CO 0.00 0.28 1.11 0.42 -0.92 0.00 0.00 175.35 176.24 1xfl s ILE 93 N 0.37 4.34 -0.12 2.17 1.01 -1.26 0.13 121.20 127.84 1xfl s ILE 93 Ca 0.14 1.69 -0.13 0.00 0.00 0.00 0.00 60.65 62.35 1xfl s ILE 93 Cb -0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1xfl s ILE 93 CO 0.02 0.14 -0.26 0.18 0.00 0.00 0.00 174.94 175.02 1xfl n LEU 94 N 3.87 1.61 -3.56 2.97 4.77 -0.72 -4.88 117.00 121.06 1xfl n LEU 94 Ca 0.08 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1xfl n LEU 94 Cb 0.48 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1xfl n LEU 94 CO 0.54 -0.37 0.27 1.51 -1.33 0.00 0.00 177.39 178.01 1xfl s ASP 95 N -5.75 -0.41 0.01 -1.43 1.47 -0.42 -5.04 116.67 105.10 1xfl s ASP 95 Ca -0.21 -0.01 0.01 0.00 1.18 0.00 0.00 52.55 53.51 1xfl s ASP 95 Cb 0.03 0.51 -0.01 0.00 -0.34 0.00 0.00 42.92 43.11 1xfl s ASP 95 CO 0.32 -0.82 -0.03 -1.59 0.68 0.00 0.00 175.17 173.73 1xfl s LYS 96 N -3.14 0.25 -0.20 2.11 0.00 -1.26 0.16 119.74 117.66 1xfl s LYS 96 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 55.97 55.62 1xfl s LYS 96 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 37.83 37.74 1xfl s LYS 96 CO -0.07 0.02 -0.12 0.08 0.00 0.00 0.00 175.35 175.25 1xfl s VAL 97 N -0.64 2.73 -0.27 1.79 1.01 0.12 -4.96 120.40 120.18 1xfl s VAL 97 Ca -0.06 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1xfl s VAL 97 Cb -0.05 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1xfl s VAL 97 CO -0.00 0.48 0.12 0.54 0.00 0.00 0.00 175.10 176.24 1xfl s VAL 98 N 1.34 4.61 0.00 2.92 0.11 -1.26 -0.40 120.40 127.72 1xfl s VAL 98 Ca 0.05 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1xfl s VAL 98 Cb -0.14 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1xfl s VAL 98 CO -0.07 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 1xfl n GLY 99 N 4.97 2.37 3.59 6.54 0.00 0.93 -4.90 105.19 118.69 1xfl n GLY 99 Ca -0.15 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1xfl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfl s ALA 100 N -1.49 2.99 -0.22 4.61 0.00 -1.26 -4.79 121.76 121.60 1xfl s ALA 100 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1xfl s ALA 100 Cb 0.00 -4.01 0.06 0.00 0.00 0.00 0.00 23.12 19.17 1xfl s ALA 100 CO 0.00 -2.60 -0.06 0.15 0.00 0.00 0.00 175.76 173.26 1xfl s LYS 101 N 4.98 1.60 -0.01 0.00 1.02 -1.26 -5.04 119.74 121.04 1xfl s LYS 101 Ca 0.50 -0.88 -0.25 0.00 0.02 0.00 0.00 55.97 55.36 1xfl s LYS 101 Cb -0.09 -2.47 -0.19 0.00 -0.52 0.00 0.00 37.83 34.56 1xfl s LYS 101 CO 0.28 -0.56 1.29 -0.22 -0.92 0.00 0.00 175.35 175.22 1xfl h LYS 102 N 7.99 -0.06 -0.64 1.68 3.64 -1.99 -0.88 116.57 126.31 1xfl h LYS 102 Ca -0.20 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1xfl h LYS 102 Cb 1.08 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1xfl h LYS 102 CO 0.42 0.35 0.23 0.22 -2.27 0.00 0.00 179.45 178.40 1xfl h ASP 103 N -0.50 0.90 -0.51 4.20 3.58 -1.99 -1.42 116.42 120.69 1xfl h ASP 103 Ca -0.01 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 1xfl h ASP 103 Cb 0.44 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1xfl h ASP 103 CO 0.01 0.85 0.28 -0.08 -2.88 0.00 0.00 179.24 177.42 1xfl h GLU 104 N 0.91 0.71 -0.44 0.28 4.57 -1.99 -0.86 114.58 117.76 1xfl h GLU 104 Ca 0.21 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1xfl h GLU 104 Cb 0.25 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1xfl h GLU 104 CO -0.01 0.55 0.27 1.25 -1.18 0.00 0.00 179.01 179.89 1xfl h LEU 105 N 0.68 0.44 -1.47 1.64 5.85 -0.80 0.66 115.31 122.31 1xfl h LEU 105 Ca 0.18 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1xfl h LEU 105 Cb 0.05 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1xfl h LEU 105 CO -0.03 0.31 0.38 1.56 -0.34 0.00 0.00 178.44 180.32 1xfl h GLN 106 N 0.54 0.69 -0.22 1.25 1.08 -0.82 0.31 115.11 117.95 1xfl h GLN 106 Ca 0.17 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.25 1xfl h GLN 106 Cb -0.00 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1xfl h GLN 106 CO -0.07 0.46 -0.17 1.03 -0.95 0.00 0.00 178.83 179.12 1xfl h SER 107 N 0.72 0.54 -0.47 1.46 0.87 0.16 -1.21 113.55 115.62 1xfl h SER 107 Ca 0.22 -0.45 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1xfl h SER 107 Cb -0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1xfl h SER 107 CO -0.05 0.88 0.15 0.74 -0.53 0.00 0.00 176.83 178.01 1xfl h THR 108 N 0.21 1.21 -0.53 2.23 2.02 -0.15 -0.83 112.91 117.07 1xfl h THR 108 Ca 0.04 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1xfl h THR 108 Cb 0.70 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1xfl h THR 108 CO 0.05 0.28 0.20 0.40 0.37 0.00 0.00 175.52 176.81 1xfl h ILE 109 N 0.77 1.22 -0.33 3.11 2.04 -0.19 -1.62 117.51 122.51 1xfl h ILE 109 Ca 0.17 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1xfl h ILE 109 Cb 0.25 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1xfl h ILE 109 CO -0.01 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.42 1xfl h ALA 110 N 1.05 1.40 -0.29 1.87 0.00 -0.63 0.46 119.26 123.12 1xfl h ALA 110 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xfl h ALA 110 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xfl h ALA 110 CO -0.01 0.42 0.01 0.87 0.00 0.00 0.00 179.25 180.55 1xfl h LYS 111 N 0.49 0.43 0.00 0.00 1.57 -0.67 -2.81 116.57 115.58 1xfl h LYS 111 Ca 0.11 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1xfl h LYS 111 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1xfl h LYS 111 CO 0.01 0.45 -1.36 0.72 -0.57 0.00 0.00 179.45 178.70 1xfl n HIS 112 N -4.32 0.90 -2.04 -1.35 8.25 -0.49 -4.87 115.22 111.30 1xfl n HIS 112 Ca 0.01 0.29 -0.43 0.00 -0.26 0.00 0.00 57.72 57.33 1xfl n HIS 112 Cb 0.21 -1.02 -0.03 0.00 1.12 0.00 0.00 29.99 30.27 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 -5.59 3.74 0.00 2.41 1.98 0.15 -5.09 118.68 116.28 1xfl s LEU 113 Ca -0.03 1.53 0.00 0.00 -2.89 0.00 0.00 54.13 52.75 1xfl s LEU 113 Cb 0.09 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.41 1xfl s LEU 113 CO 0.81 -1.45 0.00 0.00 -1.89 0.00 0.00 176.35 173.82