#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lfy s PRO 2 N 0.00 0.84 0.35 6.28 0.02 -1.26 -4.94 135.00 136.29 3lfy s PRO 2 Ca 0.00 1.00 0.18 0.00 0.02 0.00 0.00 61.00 62.19 3lfy s PRO 2 Cb 0.00 -1.75 0.58 0.00 0.02 0.00 0.00 34.50 33.35 3lfy s PRO 2 CO 0.00 -2.57 1.69 0.93 -0.33 0.00 0.00 177.00 176.71 3lfy h GLU 3 N -1.80 0.00 -5.39 5.54 5.08 -1.98 -3.44 114.58 112.60 3lfy h GLU 3 Ca -0.50 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.37 3lfy h GLU 3 Cb 1.29 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.26 3lfy h GLU 3 CO 0.51 0.41 -0.81 0.71 -1.00 0.00 0.00 179.01 178.83 3lfy s TYR 4 N -3.52 1.32 -0.09 4.33 2.02 -1.26 -3.23 117.35 116.91 3lfy s TYR 4 Ca 0.00 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.36 3lfy s TYR 4 Cb 0.11 -0.82 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 3lfy s TYR 4 CO 0.70 0.00 0.23 0.08 -1.57 0.00 0.00 175.55 174.99 3lfy s VAL 5 N -0.51 -0.03 -0.37 0.71 1.01 -0.45 -4.97 120.40 115.80 3lfy s VAL 5 Ca 0.05 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.19 3lfy s VAL 5 Cb -0.06 -0.35 0.18 0.00 0.00 0.00 0.00 36.38 36.15 3lfy s VAL 5 CO 0.00 0.04 0.58 -0.62 0.00 0.00 0.00 175.10 175.10 3lfy s ASP 6 N 0.83 -1.17 0.00 3.32 -1.08 -1.26 -0.42 116.67 116.89 3lfy s ASP 6 Ca -0.06 -0.58 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 3lfy s ASP 6 Cb -0.07 1.79 0.00 0.00 -1.46 0.00 0.00 42.92 43.18 3lfy s ASP 6 CO -0.05 -0.23 0.53 0.79 0.52 0.00 0.00 175.17 176.73 3lfy n TRP 7 N 4.72 0.00 0.10 -5.34 7.02 -0.27 -1.14 117.44 122.53 3lfy n TRP 7 Ca 0.09 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.51 3lfy n TRP 7 Cb 0.55 -0.08 0.04 0.00 -2.42 0.00 0.00 31.31 29.39 3lfy n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3lfy h ARG 8 N 0.00 0.08 0.00 -0.99 3.08 -1.94 -1.47 114.38 113.14 3lfy h ARG 8 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3lfy h ARG 8 Cb 0.02 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3lfy h ARG 8 CO 0.00 0.83 0.00 1.04 -1.07 0.00 0.00 179.97 180.77 3lfy n GLN 9 N -3.65 0.47 -0.16 0.04 6.02 -0.29 -1.72 117.38 118.09 3lfy n GLN 9 Ca -0.02 0.04 0.06 0.00 -0.01 0.00 0.00 57.00 57.07 3lfy n GLN 9 Cb 0.76 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.66 3lfy n GLN 9 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3lfy n LYS 10 N -1.22 2.61 -3.32 -1.09 4.01 -1.01 -4.97 118.16 113.17 3lfy n LYS 10 Ca 0.14 -1.96 -0.24 0.00 -0.51 0.00 0.00 58.31 55.74 3lfy n LYS 10 Cb 0.18 -1.27 0.01 0.00 -0.51 0.00 0.00 35.03 33.44 3lfy n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3lfy n GLY 11 N 0.55 -0.50 0.87 0.72 0.00 -0.70 -4.84 105.19 101.29 3lfy n GLY 11 Ca 0.11 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.34 3lfy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lfy n ALA 12 N -3.61 2.43 -2.39 4.61 0.00 -0.59 -4.67 120.51 116.29 3lfy n ALA 12 Ca -0.03 -0.81 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 3lfy n ALA 12 Cb 0.56 -0.68 -0.16 0.00 0.00 0.00 0.00 19.45 19.17 3lfy n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3lfy s VAL 13 N -1.46 1.81 0.49 0.00 1.01 -1.25 -3.70 120.40 117.30 3lfy s VAL 13 Ca 0.27 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3lfy s VAL 13 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3lfy s VAL 13 CO 0.25 0.51 0.73 0.42 0.00 0.00 0.00 175.10 177.01 3lfy s THR 14 N -0.53 3.86 0.95 3.92 -4.23 -1.26 -4.98 115.64 113.38 3lfy s THR 14 Ca 0.08 -0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 3lfy s THR 14 Cb -0.09 -3.45 0.09 0.00 1.34 0.00 0.00 72.50 70.39 3lfy s THR 14 CO -0.01 -0.35 0.72 -2.65 -0.54 0.00 0.00 174.62 171.79 3lfy n PRO 15 N -2.21 -0.47 -2.48 3.99 -0.02 -1.26 -4.90 135.00 127.65 3lfy n PRO 15 Ca 0.02 -0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 3lfy n PRO 15 Cb 0.58 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 3lfy n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lfy s VAL 16 N -2.49 4.33 0.45 -1.45 1.01 -1.26 -5.02 120.40 115.96 3lfy s VAL 16 Ca 0.61 1.63 0.08 0.00 0.00 0.00 0.00 61.98 64.30 3lfy s VAL 16 Cb -0.22 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3lfy s VAL 16 CO 0.63 -0.04 0.61 -0.54 0.00 0.00 0.00 175.10 175.76 3lfy s LYS 17 N 2.56 2.76 -0.17 2.72 -0.14 -1.26 -4.44 119.74 121.76 3lfy s LYS 17 Ca 0.54 -1.23 0.01 0.00 -1.36 0.00 0.00 55.97 53.93 3lfy s LYS 17 Cb -0.23 -2.73 0.02 0.00 -1.68 0.00 0.00 37.83 33.21 3lfy s LYS 17 CO 0.19 -0.36 -0.20 1.21 -0.76 0.00 0.00 175.35 175.43 3lfy s ASN 18 N -4.38 3.08 0.27 2.83 3.84 -1.26 -1.90 114.94 117.42 3lfy s ASN 18 Ca 0.56 -0.63 -0.03 0.00 0.21 0.00 0.00 52.86 52.97 3lfy s ASN 18 Cb -0.10 -1.45 0.39 0.00 -0.55 0.00 0.00 41.25 39.54 3lfy s ASN 18 CO 0.34 0.01 1.90 -0.61 -2.79 0.00 0.00 177.10 175.95 3lfy h GLN 19 N 7.87 1.17 0.00 0.43 4.15 0.27 -3.46 115.11 125.54 3lfy h GLN 19 Ca -0.44 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3lfy h GLN 19 Cb 1.15 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3lfy h GLN 19 CO 0.62 0.78 0.00 0.41 -1.93 0.00 0.00 178.83 178.71 3lfy n GLY 20 N -1.37 -0.72 2.63 2.39 0.00 -1.26 -3.94 105.19 102.92 3lfy n GLY 20 Ca 0.14 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 3lfy n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3lfy n SER 21 N 0.13 7.40 -3.90 1.61 3.41 -1.26 -4.92 113.62 116.09 3lfy n SER 21 Ca 0.00 -3.46 -0.15 0.00 -0.26 0.00 0.00 58.87 55.00 3lfy n SER 21 Cb 0.00 -1.25 -0.15 0.00 -0.26 0.00 0.00 64.21 62.55 3lfy n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lfy n GLY 23 N 3.24 4.40 3.06 0.00 0.00 -0.00 -4.98 105.19 110.90 3lfy n GLY 23 Ca -0.15 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 3lfy n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lfy s SER 24 N 2.13 4.98 0.00 1.61 1.04 -1.26 -2.26 113.70 119.94 3lfy s SER 24 Ca 0.63 -2.86 0.00 0.00 0.48 0.00 0.00 55.95 54.20 3lfy s SER 24 Cb 0.17 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.50 3lfy s SER 24 CO -0.07 -0.34 0.00 -2.67 0.98 0.00 0.00 173.24 171.15 3lfy n TRP 26 N 3.43 0.00 0.09 5.02 4.27 -1.26 -1.84 117.44 127.14 3lfy n TRP 26 Ca 0.07 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.57 3lfy n TRP 26 Cb 0.36 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.25 3lfy n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3lfy h ALA 27 N 0.00 -0.30 -0.35 -1.67 0.00 -1.91 -1.92 119.26 113.12 3lfy h ALA 27 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 3lfy h ALA 27 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3lfy h ALA 27 CO 0.00 -0.36 -0.10 0.74 0.00 0.00 0.00 179.25 179.53 3lfy h PHE 28 N -0.92 -0.23 -0.05 0.00 -1.00 -1.71 0.15 116.94 113.18 3lfy h PHE 28 Ca -0.03 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.81 3lfy h PHE 28 Cb 0.49 0.16 -0.06 0.00 3.61 0.00 0.00 35.95 40.15 3lfy h PHE 28 CO 0.06 -0.17 -0.53 1.03 -1.61 0.00 0.00 178.31 177.09 3lfy h SER 29 N -0.03 -1.66 -0.23 2.17 0.87 -1.74 -0.89 113.55 112.04 3lfy h SER 29 Ca 0.17 0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.98 3lfy h SER 29 Cb 0.29 0.64 -0.06 0.00 -0.44 0.00 0.00 62.40 62.82 3lfy h SER 29 CO -0.37 -0.51 -0.18 0.00 -0.53 0.00 0.00 176.83 175.23 3lfy h ALA 30 N -0.34 -0.04 -0.76 6.23 0.00 -0.67 -2.17 119.26 121.51 3lfy h ALA 30 Ca 0.02 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3lfy h ALA 30 Cb 0.71 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3lfy h ALA 30 CO -0.39 -0.61 0.39 0.28 0.00 0.00 0.00 179.25 178.93 3lfy h VAL 31 N -0.18 0.82 -0.48 0.00 2.07 -0.31 -1.09 116.25 117.07 3lfy h VAL 31 Ca 0.13 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3lfy h VAL 31 Cb 0.39 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3lfy h VAL 31 CO -0.34 0.11 0.18 0.58 0.02 0.00 0.00 177.57 178.12 3lfy h VAL 32 N 0.63 0.85 -0.05 2.57 2.07 -0.53 0.33 116.25 122.12 3lfy h VAL 32 Ca 0.39 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.72 3lfy h VAL 32 Cb 0.44 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3lfy h VAL 32 CO -0.29 0.07 -0.25 0.71 0.02 0.00 0.00 177.57 177.82 3lfy h THR 33 N 0.36 1.21 -0.16 2.57 1.35 -0.98 -1.50 112.91 115.75 3lfy h THR 33 Ca 0.23 -0.97 -0.19 0.00 -0.55 0.00 0.00 66.41 64.93 3lfy h THR 33 Cb 0.23 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3lfy h THR 33 CO -0.23 0.28 -0.67 0.40 -0.25 0.00 0.00 175.52 175.06 3lfy h ILE 34 N 0.08 1.32 -0.33 6.82 2.04 0.07 -0.96 117.51 126.54 3lfy h ILE 34 Ca 0.01 -1.93 -0.12 0.00 1.00 0.00 0.00 64.86 63.82 3lfy h ILE 34 Cb 0.49 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3lfy h ILE 34 CO 0.04 0.60 -0.28 -0.33 0.00 0.00 0.00 178.15 178.18 3lfy h GLU 35 N 0.46 0.69 0.30 2.37 5.08 -0.04 -2.33 114.58 121.11 3lfy h GLU 35 Ca -0.02 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3lfy h GLU 35 Cb 1.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3lfy h GLU 35 CO 0.13 0.89 -0.15 0.78 -1.00 0.00 0.00 179.01 179.67 3lfy h GLY 36 N 0.98 -0.42 0.44 -3.84 0.00 -1.16 -2.27 103.07 96.80 3lfy h GLY 36 Ca 0.07 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.66 3lfy h GLY 36 CO 0.06 -0.15 0.35 1.19 0.00 0.00 0.00 176.54 177.99 3lfy h ILE 37 N -0.82 0.83 -0.76 2.60 6.09 -1.19 -0.93 117.51 123.33 3lfy h ILE 37 Ca -0.04 -0.20 -0.05 0.00 -1.37 0.00 0.00 64.86 63.19 3lfy h ILE 37 Cb 0.52 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 37.96 3lfy h ILE 37 CO 0.07 0.11 0.26 0.40 -3.07 0.00 0.00 178.15 175.92 3lfy h ILE 38 N 0.59 1.26 -0.13 2.19 1.08 -1.45 -0.93 117.51 120.13 3lfy h ILE 38 Ca 0.36 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3lfy h ILE 38 Cb 0.39 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3lfy h ILE 38 CO -0.28 0.35 0.09 0.50 -0.69 0.00 0.00 178.15 178.11 3lfy h LYS 39 N 1.11 0.18 0.18 2.37 3.11 -0.63 0.45 116.57 123.34 3lfy h LYS 39 Ca 0.25 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.09 3lfy h LYS 39 Cb 0.27 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.44 3lfy h LYS 39 CO -0.01 0.13 -0.26 0.82 -2.81 0.00 0.00 179.45 177.32 3lfy h ILE 40 N 0.17 0.44 0.12 2.00 2.04 -0.91 0.78 117.51 122.15 3lfy h ILE 40 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3lfy h ILE 40 Cb -0.01 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3lfy h ILE 40 CO -0.01 0.00 -0.06 0.03 0.00 0.00 0.00 178.15 178.11 3lfy h ARG 41 N -0.50 -0.16 -0.30 2.37 2.47 -1.04 -3.34 114.38 113.88 3lfy h ARG 41 Ca 0.01 0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.63 3lfy h ARG 41 Cb 0.50 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 3lfy h ARG 41 CO -0.11 -0.11 -0.31 1.79 0.56 0.00 0.00 179.97 181.79 3lfy h THR 42 N -0.21 1.28 0.00 2.04 1.35 -1.02 -3.47 112.91 112.89 3lfy h THR 42 Ca -0.02 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 3lfy h THR 42 Cb 0.13 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3lfy h THR 42 CO 0.03 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3lfy n GLY 43 N -0.16 1.32 2.81 5.82 0.00 0.27 -5.04 105.19 110.22 3lfy n GLY 43 Ca -0.01 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 3lfy n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lfy s ASN 44 N -2.37 0.03 -0.10 1.61 0.01 -1.16 -5.01 114.94 107.95 3lfy s ASN 44 Ca 0.00 0.06 -0.21 0.00 -0.71 0.00 0.00 52.86 52.00 3lfy s ASN 44 Cb 0.00 -0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.60 3lfy s ASN 44 CO 0.00 -0.10 0.58 -0.22 -1.51 0.00 0.00 177.10 175.86 3lfy s LEU 45 N 0.80 4.29 0.03 0.60 2.96 -1.26 -3.24 118.68 122.86 3lfy s LEU 45 Ca -0.07 0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 54.80 3lfy s LEU 45 Cb -0.09 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 3lfy s LEU 45 CO -0.02 -0.06 0.04 0.20 -1.32 0.00 0.00 176.35 175.19 3lfy s ASN 46 N 0.71 0.22 -0.18 3.68 0.02 -1.26 -5.07 114.94 113.06 3lfy s ASN 46 Ca 0.31 -0.53 -0.08 0.00 -1.02 0.00 0.00 52.86 51.55 3lfy s ASN 46 Cb -0.16 0.17 -0.04 0.00 0.02 0.00 0.00 41.25 41.24 3lfy s ASN 46 CO 0.14 -0.42 0.07 -1.61 0.02 0.00 0.00 177.10 175.30 3lfy s GLU 47 N -2.16 3.98 0.21 -0.60 2.02 -1.26 -4.67 118.70 116.21 3lfy s GLU 47 Ca -0.09 -0.33 0.09 0.00 0.02 0.00 0.00 54.97 54.66 3lfy s GLU 47 Cb -0.04 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 3lfy s GLU 47 CO -0.03 0.29 -0.04 0.71 0.02 0.00 0.00 175.26 176.21 3lfy s TYR 48 N 0.32 2.71 -0.21 1.61 1.51 -1.26 -0.24 117.35 121.80 3lfy s TYR 48 Ca 0.04 -0.20 -0.29 0.00 -1.01 0.00 0.00 57.07 55.61 3lfy s TYR 48 Cb -0.12 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 3lfy s TYR 48 CO -0.00 0.55 1.77 0.45 -1.11 0.00 0.00 175.55 177.20 3lfy s SER 49 N -3.13 6.18 0.07 2.29 0.15 0.30 -4.14 113.70 115.41 3lfy s SER 49 Ca 0.28 1.72 0.07 0.00 0.70 0.00 0.00 55.95 58.72 3lfy s SER 49 Cb -0.08 -2.53 -0.22 0.00 -1.71 0.00 0.00 66.02 61.48 3lfy s SER 49 CO 0.18 -1.41 1.08 -0.33 1.20 0.00 0.00 173.24 173.96 3lfy h GLU 50 N 11.66 0.03 -0.33 5.44 3.07 -1.90 -3.28 114.58 129.28 3lfy h GLU 50 Ca -0.36 -0.05 0.05 0.00 -0.50 0.00 0.00 59.36 58.51 3lfy h GLU 50 Cb 1.18 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.05 3lfy h GLU 50 CO 0.99 0.88 0.02 0.37 -1.40 0.00 0.00 179.01 179.87 3lfy h GLN 51 N 0.01 0.12 -0.53 2.33 5.75 -1.85 0.52 115.11 121.46 3lfy h GLN 51 Ca -0.10 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.47 3lfy h GLN 51 Cb 1.86 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 30.32 3lfy h GLN 51 CO 0.12 0.08 0.18 1.49 -2.65 0.00 0.00 178.83 178.05 3lfy h GLU 52 N 0.12 0.34 -0.46 1.69 4.81 -1.81 0.75 114.58 120.03 3lfy h GLU 52 Ca 0.16 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3lfy h GLU 52 Cb 0.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3lfy h GLU 52 CO -0.25 0.23 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.06 3lfy h LEU 53 N 0.36 0.86 -0.04 1.64 3.38 -1.40 0.42 115.31 120.52 3lfy h LEU 53 Ca 0.26 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3lfy h LEU 53 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3lfy h LEU 53 CO -0.27 1.00 -0.06 0.25 0.09 0.00 0.00 178.44 179.44 3lfy h LEU 54 N 0.77 -0.17 -0.02 1.67 5.85 0.23 -1.55 115.31 122.08 3lfy h LEU 54 Ca 0.12 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 3lfy h LEU 54 Cb 0.65 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.77 3lfy h LEU 54 CO 0.05 -0.08 -0.50 0.44 -0.34 0.00 0.00 178.44 178.01 3lfy h ASP 55 N -0.08 0.47 0.09 1.25 3.32 0.62 -3.38 116.42 118.70 3lfy h ASP 55 Ca 0.04 -0.74 -0.26 0.00 0.02 0.00 0.00 57.03 56.09 3lfy h ASP 55 Cb 0.13 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 39.57 3lfy h ASP 55 CO -0.09 1.14 -1.08 0.00 -1.72 0.00 0.00 179.24 177.49 3lfy s ASP 57 N -7.27 4.87 0.00 0.00 -1.08 -0.58 -4.79 116.67 107.82 3lfy s ASP 57 Ca -0.10 1.40 0.28 0.00 -0.52 0.00 0.00 52.55 53.60 3lfy s ASP 57 Cb 0.05 -2.51 1.30 0.00 -1.46 0.00 0.00 42.92 40.31 3lfy s ASP 57 CO 0.91 -2.49 1.92 0.54 0.52 0.00 0.00 175.17 176.57 3lfy n ARG 58 N 8.91 0.22 0.05 4.34 1.74 -1.26 -2.75 116.66 127.91 3lfy n ARG 58 Ca 0.33 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.56 3lfy n ARG 58 Cb 0.51 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 3lfy n ARG 58 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3lfy n ARG 59 N -1.38 0.41 -2.59 5.56 1.74 -1.26 -4.90 116.66 114.23 3lfy n ARG 59 Ca 0.10 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 3lfy n ARG 59 Cb 0.26 -1.65 0.04 0.00 -1.02 0.00 0.00 32.46 30.09 3lfy n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3lfy s SER 60 N -4.38 5.25 -0.44 0.55 0.01 -1.11 -4.83 113.70 108.75 3lfy s SER 60 Ca 0.02 0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.40 3lfy s SER 60 Cb 0.13 -0.96 0.51 0.00 0.21 0.00 0.00 66.02 65.91 3lfy s SER 60 CO 0.80 -1.18 1.67 -1.22 0.41 0.00 0.00 173.24 173.72 3lfy n TYR 61 N -2.42 2.47 0.00 2.43 4.01 -0.25 -4.98 117.16 118.43 3lfy n TYR 61 Ca 0.07 -2.23 0.00 0.00 -0.16 0.00 0.00 57.90 55.58 3lfy n TYR 61 Cb 0.60 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 3lfy n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lfy n GLY 62 N -0.98 3.77 1.10 2.72 0.00 -1.24 -0.96 105.19 109.60 3lfy n GLY 62 Ca 0.50 0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.56 3lfy n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lfy n ASN 64 N 0.15 1.79 0.00 0.00 5.15 -0.14 -0.82 115.26 121.39 3lfy n ASN 64 Ca 0.13 -3.65 0.00 0.00 -0.60 0.00 0.00 54.58 50.45 3lfy n ASN 64 Cb 0.67 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 3lfy n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3lfy n GLY 65 N -1.11 1.27 0.00 8.20 0.00 -0.96 -4.73 105.19 107.87 3lfy n GLY 65 Ca 0.18 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3lfy n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lfy n GLY 66 N 0.36 -1.02 3.26 -0.02 0.00 -1.26 -1.09 105.19 105.42 3lfy n GLY 66 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 3lfy n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lfy s TYR 67 N -2.00 2.48 0.31 1.61 1.51 -1.26 -4.72 117.35 115.28 3lfy s TYR 67 Ca 0.00 -0.80 0.05 0.00 -1.01 0.00 0.00 57.07 55.30 3lfy s TYR 67 Cb 0.00 -1.63 0.52 0.00 -0.11 0.00 0.00 41.96 40.74 3lfy s TYR 67 CO 0.00 -0.27 1.78 -1.35 -1.11 0.00 0.00 175.55 174.61 3lfy h PRO 68 N 6.23 0.41 0.86 -1.71 0.11 -2.00 -2.90 132.00 133.00 3lfy h PRO 68 Ca -0.28 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3lfy h PRO 68 Cb 1.19 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3lfy h PRO 68 CO 0.47 0.60 -0.41 0.11 -0.21 0.00 0.00 178.00 178.56 3lfy h TRP 69 N 0.37 -1.07 -0.98 0.65 5.08 -1.95 -1.31 115.95 116.74 3lfy h TRP 69 Ca 0.06 -0.03 0.20 0.00 1.08 0.00 0.00 58.89 60.21 3lfy h TRP 69 Cb 0.57 0.35 -0.09 0.00 -3.00 0.00 0.00 29.16 26.99 3lfy h TRP 69 CO 0.02 -0.66 0.62 0.66 -1.28 0.00 0.00 178.44 177.79 3lfy h SER 70 N -1.22 0.65 -0.37 0.11 4.64 -1.98 0.63 113.55 116.01 3lfy h SER 70 Ca -0.12 0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3lfy h SER 70 Cb 0.89 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 3lfy h SER 70 CO 0.19 0.23 0.01 0.00 -0.87 0.00 0.00 176.83 176.39 3lfy h ALA 71 N 1.63 1.18 0.00 5.18 0.00 -1.29 -2.08 119.26 123.88 3lfy h ALA 71 Ca 0.55 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 3lfy h ALA 71 Cb 1.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3lfy h ALA 71 CO -0.32 0.54 -0.76 -0.07 0.00 0.00 0.00 179.25 178.64 3lfy h LEU 72 N 0.69 0.00 -1.80 0.00 3.38 0.11 -3.06 115.31 114.62 3lfy h LEU 72 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3lfy h LEU 72 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3lfy h LEU 72 CO 0.01 0.76 -0.15 -0.61 0.09 0.00 0.00 178.44 178.54 3lfy h GLN 73 N 0.00 0.00 0.16 1.13 4.15 0.64 -2.21 115.11 118.98 3lfy h GLN 73 Ca -0.01 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.10 3lfy h GLN 73 Cb 1.51 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.23 3lfy h GLN 73 CO 0.10 0.15 -1.32 -0.07 -1.93 0.00 0.00 178.83 175.76 3lfy h LEU 74 N 0.00 0.88 -1.36 -2.39 3.38 -1.31 -2.75 115.31 111.77 3lfy h LEU 74 Ca -0.00 -0.85 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 3lfy h LEU 74 Cb 0.33 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3lfy h LEU 74 CO 0.02 1.65 -0.08 0.58 0.09 0.00 0.00 178.44 180.70 3lfy h VAL 75 N 0.25 0.21 -0.01 1.22 2.07 -1.44 -0.54 116.25 118.01 3lfy h VAL 75 Ca -0.21 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3lfy h VAL 75 Cb 1.99 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 3lfy h VAL 75 CO 0.25 0.08 -0.53 0.00 0.02 0.00 0.00 177.57 177.39 3lfy n ALA 76 N -2.14 3.68 0.09 1.67 0.00 -0.87 -2.04 120.51 120.90 3lfy n ALA 76 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 52.96 3lfy n ALA 76 Cb 0.34 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 3lfy n ALA 76 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3lfy n GLN 77 N -0.68 1.08 0.00 0.00 7.27 -1.03 -4.56 117.38 119.46 3lfy n GLN 77 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3lfy n GLN 77 Cb 0.39 -1.17 0.00 0.00 2.41 0.00 0.00 30.24 31.87 3lfy n GLN 77 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3lfy n TYR 78 N -1.70 0.00 -3.87 3.69 4.01 -0.24 -5.07 117.16 113.98 3lfy n TYR 78 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3lfy n TYR 78 Cb 0.23 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 3lfy n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lfy n GLY 79 N 1.38 -1.44 3.17 2.72 0.00 -1.12 -4.79 105.19 105.11 3lfy n GLY 79 Ca 0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3lfy n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3lfy s ILE 80 N -2.97 0.06 0.27 -0.61 2.07 0.25 -4.31 121.20 115.96 3lfy s ILE 80 Ca 0.00 -0.49 0.02 0.00 -1.41 0.00 0.00 60.65 58.76 3lfy s ILE 80 Cb 0.00 -0.50 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 3lfy s ILE 80 CO 0.00 -0.27 0.44 -1.00 -1.91 0.00 0.00 174.94 172.21 3lfy s HIS 81 N -1.12 3.48 0.34 3.50 3.76 -1.26 -0.26 115.29 123.73 3lfy s HIS 81 Ca -0.12 0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.74 3lfy s HIS 81 Cb -0.06 -1.78 -0.11 0.00 1.11 0.00 0.00 32.58 31.74 3lfy s HIS 81 CO 0.02 0.29 1.52 0.66 -0.85 0.00 0.00 174.74 176.39 3lfy n TYR 82 N -1.34 2.89 -0.10 1.40 4.01 -1.26 -0.54 117.16 122.22 3lfy n TYR 82 Ca -0.06 0.38 0.26 0.00 -0.16 0.00 0.00 57.90 58.31 3lfy n TYR 82 Cb 0.56 -2.55 0.72 0.00 -0.31 0.00 0.00 39.34 37.75 3lfy n TYR 82 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3lfy h ARG 83 N 3.64 0.00 -0.64 -0.72 2.43 -0.77 -0.24 114.38 118.08 3lfy h ARG 83 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3lfy h ARG 83 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3lfy h ARG 83 CO 0.70 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.43 3lfy n ASN 84 N -4.22 4.37 0.00 -3.80 0.23 -1.26 -2.13 115.26 108.44 3lfy n ASN 84 Ca 0.15 -2.46 0.00 0.00 -0.53 0.00 0.00 54.58 51.74 3lfy n ASN 84 Cb 0.84 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 3lfy n ASN 84 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3lfy n THR 85 N 0.89 0.05 -2.79 5.53 -2.24 -0.12 -4.64 114.28 110.96 3lfy n THR 85 Ca 0.23 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3lfy n THR 85 Cb 0.84 1.05 0.07 0.00 -2.10 0.00 0.00 70.33 70.19 3lfy n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lfy n TYR 86 N -0.02 -2.59 -1.38 4.78 -0.00 -1.10 -4.95 117.16 111.90 3lfy n TYR 86 Ca 0.00 -2.27 -0.37 0.00 -0.00 0.00 0.00 57.90 55.26 3lfy n TYR 86 Cb 0.03 1.36 0.05 0.00 -0.00 0.00 0.00 39.34 40.79 3lfy n TYR 86 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 3lfy n PRO 87 N 0.62 0.43 -2.65 2.98 -0.02 -0.91 -4.48 135.00 130.98 3lfy n PRO 87 Ca 0.09 0.18 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 3lfy n PRO 87 Cb 0.68 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 3lfy n PRO 87 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3lfy s TYR 88 N -1.80 3.40 -1.64 6.00 5.04 -1.26 -4.73 117.35 122.37 3lfy s TYR 88 Ca 0.68 1.50 0.19 0.00 -2.44 0.00 0.00 57.07 56.99 3lfy s TYR 88 Cb -0.40 -3.25 -0.03 0.00 0.35 0.00 0.00 41.96 38.64 3lfy s TYR 88 CO 0.56 -0.46 0.94 0.39 -1.34 0.00 0.00 175.55 175.64 3lfy n GLU 89 N 5.58 1.41 -2.05 4.97 1.02 -1.26 -4.98 120.64 125.33 3lfy n GLU 89 Ca 0.10 -0.79 -0.16 0.00 -0.02 0.00 0.00 57.16 56.29 3lfy n GLU 89 Cb 0.47 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 3lfy n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lfy n GLY 90 N 1.30 0.27 3.48 0.62 0.00 -1.26 -4.96 105.19 104.63 3lfy n GLY 90 Ca 0.07 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3lfy n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lfy s VAL 91 N -2.73 0.00 -0.09 1.61 0.11 -1.26 -4.72 120.40 113.32 3lfy s VAL 91 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 3lfy s VAL 91 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3lfy s VAL 91 CO 0.00 0.00 0.23 -1.58 -3.33 0.00 0.00 175.10 170.42 3lfy s GLN 92 N -3.03 3.66 0.00 1.54 -0.44 -1.26 -4.94 119.66 115.19 3lfy s GLN 92 Ca 0.01 0.04 0.00 0.00 -2.50 0.00 0.00 55.36 52.91 3lfy s GLN 92 Cb -0.01 -3.22 0.00 0.00 -1.64 0.00 0.00 33.01 28.14 3lfy s GLN 92 CO -0.08 0.70 0.00 0.54 0.50 0.00 0.00 175.29 176.95 3lfy n ARG 93 N 2.10 0.47 -3.05 1.67 1.74 -1.26 -5.01 116.66 113.31 3lfy n ARG 93 Ca -0.18 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.55 3lfy n ARG 93 Cb 0.54 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.92 3lfy n ARG 93 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3lfy s TYR 94 N -1.05 3.58 0.19 -1.55 -0.85 -1.26 -4.59 117.35 111.82 3lfy s TYR 94 Ca 0.00 1.41 -0.32 0.00 -0.52 0.00 0.00 57.07 57.64 3lfy s TYR 94 Cb 0.00 -2.65 -0.11 0.00 0.38 0.00 0.00 41.96 39.57 3lfy s TYR 94 CO 0.00 0.24 1.69 0.00 -1.52 0.00 0.00 175.55 175.97 3lfy n ARG 96 N 4.06 1.90 -0.12 0.00 1.74 -1.26 -4.75 116.66 118.22 3lfy n ARG 96 Ca 0.16 -3.12 -0.09 0.00 -0.77 0.00 0.00 57.85 54.03 3lfy n ARG 96 Cb 0.36 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 3lfy n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3lfy h SER 97 N 1.03 0.46 0.13 0.55 0.02 -1.96 -2.24 113.55 111.54 3lfy h SER 97 Ca 0.14 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3lfy h SER 97 Cb 1.47 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.89 3lfy h SER 97 CO 0.27 0.40 0.00 0.54 -1.14 0.00 0.00 176.83 176.90 3lfy n ARG 98 N -4.77 0.15 -0.21 3.45 1.74 -1.26 -1.26 116.66 114.50 3lfy n ARG 98 Ca -0.00 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.31 3lfy n ARG 98 Cb 0.07 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.19 3lfy n ARG 98 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3lfy n GLU 99 N -1.23 2.67 -0.11 5.56 1.02 -0.84 -4.44 120.64 123.27 3lfy n GLU 99 Ca 0.05 -2.14 0.04 0.00 -0.02 0.00 0.00 57.16 55.09 3lfy n GLU 99 Cb 0.06 -1.34 0.09 0.00 -0.02 0.00 0.00 31.44 30.23 3lfy n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3lfy n LYS 100 N 0.81 2.71 0.00 3.49 4.76 -0.39 -5.11 118.16 124.43 3lfy n LYS 100 Ca 0.14 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.63 3lfy n LYS 100 Cb 0.47 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 3lfy n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3lfy n GLY 101 N -0.33 -1.49 3.73 0.72 0.00 -1.26 -4.87 105.19 101.70 3lfy n GLY 101 Ca 0.08 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 3lfy n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lfy s PRO 102 N 0.00 2.49 0.51 1.61 0.04 -1.26 -4.86 135.00 133.52 3lfy s PRO 102 Ca 0.00 1.88 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 3lfy s PRO 102 Cb 0.00 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 3lfy s PRO 102 CO 0.00 -1.60 1.39 0.66 0.04 0.00 0.00 177.00 177.49 3lfy n TYR 103 N -2.16 2.46 0.17 0.56 0.53 -1.26 -4.91 117.16 112.54 3lfy n TYR 103 Ca 0.14 0.43 0.04 0.00 -1.02 0.00 0.00 57.90 57.50 3lfy n TYR 103 Cb 0.49 -2.40 0.24 0.00 -1.03 0.00 0.00 39.34 36.64 3lfy n TYR 103 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3lfy h ALA 104 N 1.78 0.89 -1.67 -0.72 0.00 -0.96 -3.47 119.26 115.10 3lfy h ALA 104 Ca -0.51 -0.40 0.23 0.00 0.00 0.00 0.00 54.91 54.23 3lfy h ALA 104 Cb 1.29 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 3lfy h ALA 104 CO 0.59 0.55 0.74 0.00 0.00 0.00 0.00 179.25 181.13 3lfy s ALA 105 N -3.42 -2.02 0.04 0.00 0.00 -0.91 -4.97 121.76 110.47 3lfy s ALA 105 Ca 0.01 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 3lfy s ALA 105 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3lfy s ALA 105 CO 0.71 -0.68 0.19 0.21 0.00 0.00 0.00 175.76 176.19 3lfy s LYS 106 N -2.59 0.68 0.50 0.00 2.20 -1.26 -0.59 119.74 118.68 3lfy s LYS 106 Ca 0.09 -0.62 0.05 0.00 -0.36 0.00 0.00 55.97 55.13 3lfy s LYS 106 Cb -0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3lfy s LYS 106 CO -0.05 -0.19 0.26 0.95 -0.36 0.00 0.00 175.35 175.95 3lfy s THR 107 N -2.50 1.75 -1.14 3.43 -4.23 -0.87 -5.00 115.64 107.09 3lfy s THR 107 Ca -0.06 -1.65 0.16 0.00 -1.18 0.00 0.00 61.69 58.97 3lfy s THR 107 Cb -0.01 -2.40 -0.08 0.00 1.34 0.00 0.00 72.50 71.35 3lfy s THR 107 CO -0.04 0.00 0.76 0.47 -0.54 0.00 0.00 174.62 175.28 3lfy n ASP 108 N -1.52 1.22 0.00 3.99 8.00 0.21 -4.34 116.55 124.11 3lfy n ASP 108 Ca -0.05 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.34 3lfy n ASP 108 Cb 0.65 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 3lfy n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lfy n GLY 109 N 1.24 -1.59 3.26 0.44 0.00 -0.44 -4.96 105.19 103.14 3lfy n GLY 109 Ca 0.05 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3lfy n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lfy s VAL 110 N -2.59 0.02 0.04 1.61 -7.23 -1.26 -0.66 120.40 110.33 3lfy s VAL 110 Ca 0.00 -0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.97 3lfy s VAL 110 Cb 0.00 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 3lfy s VAL 110 CO 0.00 -0.10 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.55 3lfy s ARG 111 N -0.43 0.51 -0.24 4.82 0.52 -1.09 -4.97 118.95 118.07 3lfy s ARG 111 Ca -0.06 -0.95 -0.08 0.00 -0.52 0.00 0.00 55.73 54.13 3lfy s ARG 111 Cb -0.04 0.18 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 3lfy s ARG 111 CO 0.02 -0.10 0.08 -1.14 0.02 0.00 0.00 175.30 174.18 3lfy s GLN 112 N -2.93 3.74 0.50 3.54 0.74 -1.26 -1.88 119.66 122.10 3lfy s GLN 112 Ca -0.02 -0.44 -0.23 0.00 0.05 0.00 0.00 55.36 54.72 3lfy s GLN 112 Cb 0.01 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 3lfy s GLN 112 CO -0.06 -0.10 1.32 0.54 -0.55 0.00 0.00 175.29 176.43 3lfy s VAL 113 N 1.39 2.36 -0.24 1.34 0.11 -0.46 -4.81 120.40 120.09 3lfy s VAL 113 Ca 0.05 0.28 -0.38 0.00 -2.93 0.00 0.00 61.98 59.00 3lfy s VAL 113 Cb -0.15 -3.15 -0.14 0.00 -1.53 0.00 0.00 36.38 31.41 3lfy s VAL 113 CO 0.04 0.01 1.81 1.67 -3.33 0.00 0.00 175.10 175.30 3lfy n GLN 114 N -0.72 1.41 -0.93 1.54 7.27 -1.26 -4.62 117.38 120.08 3lfy n GLN 114 Ca 0.08 0.51 -0.32 0.00 0.07 0.00 0.00 57.00 57.35 3lfy n GLN 114 Cb 0.45 -2.26 0.14 0.00 2.41 0.00 0.00 30.24 30.98 3lfy n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3lfy s PRO 115 N 3.87 1.39 -1.51 3.69 0.04 -1.26 -3.76 135.00 137.46 3lfy s PRO 115 Ca 0.98 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 63.53 3lfy s PRO 115 Cb -0.97 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 31.87 3lfy s PRO 115 CO 0.61 -2.36 0.63 0.66 0.04 0.00 0.00 177.00 176.58 3lfy n TYR 116 N -3.78 -1.79 -3.45 0.56 4.01 0.49 -4.94 117.16 108.27 3lfy n TYR 116 Ca 0.12 0.79 -0.21 0.00 -0.16 0.00 0.00 57.90 58.45 3lfy n TYR 116 Cb 0.52 -3.58 -0.11 0.00 -0.31 0.00 0.00 39.34 35.85 3lfy n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3lfy s ASN 117 N -3.89 2.23 0.15 7.72 3.84 -1.25 -4.85 114.94 118.88 3lfy s ASN 117 Ca 0.32 -0.89 -0.19 0.00 0.21 0.00 0.00 52.86 52.30 3lfy s ASN 117 Cb -0.17 0.24 0.03 0.00 -0.55 0.00 0.00 41.25 40.80 3lfy s ASN 117 CO 0.89 -0.40 1.68 -0.08 -2.79 0.00 0.00 177.10 176.39 3lfy h GLU 118 N 8.31 -0.05 -0.93 0.43 4.81 -1.90 -1.67 114.58 123.58 3lfy h GLU 118 Ca -0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3lfy h GLU 118 Cb 1.06 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3lfy h GLU 118 CO 0.36 -0.03 0.54 0.78 -0.73 0.00 0.00 179.01 179.94 3lfy h GLY 119 N -0.05 1.36 0.99 1.92 0.00 -1.97 -0.14 103.07 105.17 3lfy h GLY 119 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3lfy h GLY 119 CO -0.31 0.56 0.20 0.00 0.00 0.00 0.00 176.54 176.99 3lfy h ALA 120 N 1.30 0.39 -0.41 3.60 0.00 -1.79 0.50 119.26 122.86 3lfy h ALA 120 Ca 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3lfy h ALA 120 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3lfy h ALA 120 CO -0.06 -0.12 0.19 1.25 0.00 0.00 0.00 179.25 180.51 3lfy h LEU 121 N 0.41 0.54 -0.33 0.00 5.85 -0.87 -2.18 115.31 118.73 3lfy h LEU 121 Ca 0.11 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3lfy h LEU 121 Cb -0.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3lfy h LEU 121 CO -0.02 0.52 0.17 -0.07 -0.34 0.00 0.00 178.44 178.70 3lfy h LEU 122 N 0.52 0.42 -0.34 2.25 3.38 -0.71 -0.41 115.31 120.42 3lfy h LEU 122 Ca 0.14 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3lfy h LEU 122 Cb 0.13 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 3lfy h LEU 122 CO -0.02 0.41 -0.39 0.22 0.09 0.00 0.00 178.44 178.75 3lfy h TYR 123 N 0.40 -1.12 -0.37 1.13 3.20 0.24 -0.16 116.97 120.29 3lfy h TYR 123 Ca 0.11 0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3lfy h TYR 123 Cb 0.09 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 3lfy h TYR 123 CO -0.02 -0.43 0.17 0.77 -1.64 0.00 0.00 178.16 177.01 3lfy h SER 124 N -0.34 0.24 -0.88 -2.11 0.02 -1.13 -2.10 113.55 107.26 3lfy h SER 124 Ca 0.13 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.27 3lfy h SER 124 Cb 0.58 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.99 3lfy h SER 124 CO -0.52 0.18 0.45 0.40 -1.14 0.00 0.00 176.83 176.20 3lfy h ILE 125 N 0.36 0.68 -0.01 3.27 2.04 0.20 0.72 117.51 124.76 3lfy h ILE 125 Ca 0.16 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3lfy h ILE 125 Cb 0.08 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 3lfy h ILE 125 CO -0.12 0.11 0.01 0.00 0.00 0.00 0.00 178.15 178.15 3lfy h ALA 126 N 1.60 2.00 0.19 1.87 0.00 -0.38 -2.81 119.26 121.74 3lfy h ALA 126 Ca 0.50 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.07 3lfy h ALA 126 Cb 0.76 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.57 3lfy h ALA 126 CO -0.40 -0.02 -1.62 -0.91 0.00 0.00 0.00 179.25 176.31 3lfy h ASN 127 N 0.00 0.64 -4.82 0.00 2.35 0.53 -3.49 115.58 110.79 3lfy h ASN 127 Ca 0.01 -0.93 0.11 0.00 -0.55 0.00 0.00 56.30 54.94 3lfy h ASN 127 Cb 0.03 -0.21 -0.13 0.00 0.05 0.00 0.00 38.32 38.06 3lfy h ASN 127 CO -0.00 1.74 0.46 0.00 -1.65 0.00 0.00 177.43 177.98 3lfy s GLN 128 N -2.56 0.96 0.21 0.81 -2.07 0.09 -5.07 119.66 112.02 3lfy s GLN 128 Ca -0.15 -0.40 -0.31 0.00 -1.82 0.00 0.00 55.36 52.68 3lfy s GLN 128 Cb 0.05 0.41 -0.11 0.00 -1.09 0.00 0.00 33.01 32.27 3lfy s GLN 128 CO 0.86 -0.42 1.64 -2.14 -1.32 0.00 0.00 175.29 173.91 3lfy s PRO 129 N -3.24 4.16 0.11 9.60 0.02 -1.26 -3.96 135.00 140.43 3lfy s PRO 129 Ca 0.06 2.51 0.07 0.00 0.02 0.00 0.00 61.00 63.66 3lfy s PRO 129 Cb -0.01 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 3lfy s PRO 129 CO -0.07 -0.67 -0.07 0.08 -0.33 0.00 0.00 177.00 175.94 3lfy s VAL 130 N 0.91 3.56 -0.26 3.83 1.01 -0.04 -4.61 120.40 124.80 3lfy s VAL 130 Ca 0.71 -1.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3lfy s VAL 130 Cb -0.47 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3lfy s VAL 130 CO 0.35 0.09 0.43 -0.55 0.00 0.00 0.00 175.10 175.42 3lfy s SER 131 N -2.31 6.34 0.32 3.32 0.15 0.12 0.12 113.70 121.75 3lfy s SER 131 Ca 0.23 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.32 3lfy s SER 131 Cb -0.11 -2.24 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 3lfy s SER 131 CO 0.15 -0.21 0.05 0.68 1.20 0.00 0.00 173.24 175.11 3lfy s VAL 132 N 2.09 1.18 0.08 4.45 -7.23 -0.26 0.04 120.40 120.75 3lfy s VAL 132 Ca 0.18 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 3lfy s VAL 132 Cb -0.16 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 3lfy s VAL 132 CO 0.09 -0.03 -0.10 0.68 -0.31 0.00 0.00 175.10 175.44 3lfy s VAL 133 N -3.31 0.87 0.36 1.32 -7.23 -1.21 -0.53 120.40 110.66 3lfy s VAL 133 Ca 0.36 -1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 3lfy s VAL 133 Cb 0.08 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.84 3lfy s VAL 133 CO 0.15 -0.51 0.60 -1.48 -0.31 0.00 0.00 175.10 173.55 3lfy s LEU 134 N -2.24 0.61 -0.35 1.32 0.05 -0.23 -3.73 118.68 114.10 3lfy s LEU 134 Ca 0.02 -1.34 -0.21 0.00 0.05 0.00 0.00 54.13 52.65 3lfy s LEU 134 Cb -0.05 2.01 0.00 0.00 -2.05 0.00 0.00 46.19 46.11 3lfy s LEU 134 CO 0.00 -1.45 0.66 -0.70 -0.55 0.00 0.00 176.35 174.31 3lfy s GLU 135 N -2.80 3.69 0.00 1.48 2.12 -0.43 -1.26 118.70 121.51 3lfy s GLU 135 Ca 0.24 0.10 0.12 0.00 0.36 0.00 0.00 54.97 55.79 3lfy s GLU 135 Cb -0.02 -3.81 0.01 0.00 0.26 0.00 0.00 34.13 30.57 3lfy s GLU 135 CO 0.17 -0.75 0.74 0.00 -0.54 0.00 0.00 175.26 174.88 3lfy n ALA 136 N 6.09 2.90 -0.11 6.30 0.00 -1.26 -4.62 120.51 129.80 3lfy n ALA 136 Ca -0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 3lfy n ALA 136 Cb 0.49 -0.43 0.02 0.00 0.00 0.00 0.00 19.45 19.53 3lfy n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lfy h ALA 137 N 2.16 0.44 -2.16 0.00 0.00 -1.90 -3.37 119.26 114.44 3lfy h ALA 137 Ca 0.00 0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 3lfy h ALA 137 Cb 0.43 0.01 0.20 0.00 0.00 0.00 0.00 17.79 18.43 3lfy h ALA 137 CO 0.00 -0.25 -1.05 0.41 0.00 0.00 0.00 179.25 178.36 3lfy n GLY 138 N -1.22 -2.95 0.17 0.00 0.00 -1.26 -4.84 105.19 95.07 3lfy n GLY 138 Ca 0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 3lfy n GLY 138 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3lfy h LYS 139 N -0.36 0.40 -0.39 1.61 3.64 -1.92 -3.06 116.57 116.48 3lfy h LYS 139 Ca -0.43 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 58.58 3lfy h LYS 139 Cb 1.38 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 3lfy h LYS 139 CO 0.38 1.03 0.25 -0.44 -2.27 0.00 0.00 179.45 178.40 3lfy h ASP 140 N 0.25 0.43 0.71 4.20 3.32 -1.90 -1.03 116.42 122.39 3lfy h ASP 140 Ca -0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3lfy h ASP 140 Cb 1.43 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3lfy h ASP 140 CO 0.14 0.31 -0.36 0.15 -1.72 0.00 0.00 179.24 177.76 3lfy h PHE 141 N 0.51 -0.94 -0.84 4.55 3.57 -1.87 -1.19 116.94 120.74 3lfy h PHE 141 Ca 0.14 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.79 3lfy h PHE 141 Cb -0.05 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 3lfy h PHE 141 CO -0.05 -0.57 0.55 1.96 -2.23 0.00 0.00 178.31 177.96 3lfy h GLN 142 N -0.98 0.49 -0.01 1.11 4.20 -1.43 0.42 115.11 118.91 3lfy h GLN 142 Ca -0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3lfy h GLN 142 Cb 0.76 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3lfy h GLN 142 CO 0.14 0.32 -0.09 1.28 -0.67 0.00 0.00 178.83 179.82 3lfy n LEU 143 N -4.52 0.79 -4.72 1.46 4.77 -0.40 -4.93 117.00 109.45 3lfy n LEU 143 Ca 0.17 -0.18 -0.60 0.00 -0.03 0.00 0.00 56.01 55.36 3lfy n LEU 143 Cb 0.55 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3lfy n LEU 143 CO 0.31 0.14 1.28 0.00 -1.33 0.00 0.00 177.39 177.79 3lfy n TYR 144 N -0.59 1.97 -0.07 -1.77 4.19 0.13 -4.86 117.16 116.17 3lfy n TYR 144 Ca 0.17 0.70 -0.07 0.00 3.31 0.00 0.00 57.90 62.01 3lfy n TYR 144 Cb 0.29 -2.40 -0.10 0.00 0.49 0.00 0.00 39.34 37.61 3lfy n TYR 144 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3lfy n ARG 145 N 4.99 1.81 -3.51 2.98 5.12 -1.26 -2.52 116.66 124.29 3lfy n ARG 145 Ca 0.28 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 3lfy n ARG 145 Cb 0.08 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3lfy n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3lfy n GLY 146 N 2.19 -1.88 5.48 -0.13 0.00 -1.26 -3.92 105.19 105.66 3lfy n GLY 146 Ca -0.22 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3lfy n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lfy n GLY 147 N -0.40 -1.77 3.25 -0.02 0.00 -1.26 -4.69 105.19 100.30 3lfy n GLY 147 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3lfy n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lfy s ILE 148 N 0.00 4.51 0.21 -0.61 1.01 -1.26 -4.24 121.20 120.82 3lfy s ILE 148 Ca 0.00 -1.64 -0.32 0.00 0.00 0.00 0.00 60.65 58.69 3lfy s ILE 148 Cb 0.00 -3.91 -0.14 0.00 0.01 0.00 0.00 42.46 38.43 3lfy s ILE 148 CO 0.00 -0.76 1.44 0.33 0.00 0.00 0.00 174.94 175.95 3lfy n PHE 149 N 5.01 2.15 -0.41 3.97 7.35 -0.41 -4.66 117.46 130.46 3lfy n PHE 149 Ca -0.10 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 3lfy n PHE 149 Cb 0.41 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.77 3lfy n PHE 149 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3lfy n VAL 150 N 2.29 0.12 0.00 -2.13 0.31 -1.26 -1.03 118.33 116.63 3lfy n VAL 150 Ca 0.13 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3lfy n VAL 150 Cb 0.30 1.26 0.00 0.00 -0.91 0.00 0.00 33.84 34.50 3lfy n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3lfy n GLY 151 N -0.06 -0.42 3.75 2.92 0.00 -1.26 -4.71 105.19 105.40 3lfy n GLY 151 Ca 0.00 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 3lfy n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lfy s PRO 152 N 0.00 3.24 0.10 1.61 0.04 -1.26 -4.93 135.00 133.80 3lfy s PRO 152 Ca 0.00 2.29 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 3lfy s PRO 152 Cb 0.00 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 3lfy s PRO 152 CO 0.00 -1.13 0.04 0.00 0.04 0.00 0.00 177.00 175.96 3lfy s GLY 154 N -2.99 2.70 -0.18 0.00 0.00 -1.26 -4.81 107.32 100.78 3lfy s GLY 154 Ca 0.17 -1.11 0.16 0.00 0.00 0.00 0.00 44.72 43.94 3lfy s GLY 154 CO -0.03 -2.00 1.70 0.70 0.00 0.00 0.00 173.10 173.47 3lfy n ASN 155 N -1.18 5.33 -4.09 1.64 3.02 -1.26 -3.84 115.26 114.88 3lfy n ASN 155 Ca -0.11 -2.71 -0.43 0.00 -0.03 0.00 0.00 54.58 51.31 3lfy n ASN 155 Cb 0.66 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3lfy n ASN 155 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3lfy n LYS 156 N 0.88 3.18 -1.73 3.52 5.02 -1.26 -4.89 118.16 122.88 3lfy n LYS 156 Ca 0.27 -3.15 -0.42 0.00 -2.02 0.00 0.00 58.31 52.99 3lfy n LYS 156 Cb 1.07 -3.23 -0.02 0.00 -0.02 0.00 0.00 35.03 32.82 3lfy n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3lfy n VAL 157 N 5.00 0.78 -1.90 -0.18 0.24 -1.26 -4.27 118.33 116.75 3lfy n VAL 157 Ca 0.47 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 3lfy n VAL 157 Cb 0.41 -1.91 0.00 0.00 -1.47 0.00 0.00 33.84 30.87 3lfy n VAL 157 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3lfy n ASP 158 N 2.56 0.00 -4.11 -1.34 5.68 -0.39 -4.90 116.55 114.06 3lfy n ASP 158 Ca 0.11 -1.00 -0.24 0.00 -0.50 0.00 0.00 54.79 53.15 3lfy n ASP 158 Cb 0.36 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.18 3lfy n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3lfy s HIS 159 N 0.00 1.47 -0.28 2.11 2.46 -0.59 -4.90 115.29 115.56 3lfy s HIS 159 Ca 0.00 -0.38 -0.04 0.00 0.47 0.00 0.00 55.06 55.11 3lfy s HIS 159 Cb 0.00 -0.99 0.03 0.00 -0.13 0.00 0.00 32.58 31.49 3lfy s HIS 159 CO 0.00 -0.12 0.01 0.00 -2.47 0.00 0.00 174.74 172.16 3lfy s ALA 160 N -0.03 2.87 0.13 1.58 0.00 -1.26 -1.07 121.76 123.98 3lfy s ALA 160 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3lfy s ALA 160 Cb -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3lfy s ALA 160 CO 0.01 -0.99 0.00 1.33 0.00 0.00 0.00 175.76 176.12 3lfy n VAL 161 N 4.74 0.00 -4.28 0.00 0.24 0.30 -4.27 118.33 115.06 3lfy n VAL 161 Ca -0.15 -0.63 -0.27 0.00 -2.04 0.00 0.00 64.34 61.25 3lfy n VAL 161 Cb 0.46 0.11 -0.17 0.00 -1.47 0.00 0.00 33.84 32.78 3lfy n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3lfy s ALA 162 N -2.23 1.52 -0.48 2.33 0.00 -1.11 -1.10 121.76 120.69 3lfy s ALA 162 Ca 0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.07 3lfy s ALA 162 Cb -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.33 3lfy s ALA 162 CO 0.00 -0.16 0.98 0.00 0.00 0.00 0.00 175.76 176.58 3lfy s ALA 163 N 1.17 3.20 -0.63 0.00 0.00 0.33 0.77 121.76 126.60 3lfy s ALA 163 Ca -0.04 -0.78 0.14 0.00 0.00 0.00 0.00 51.96 51.28 3lfy s ALA 163 Cb -0.14 -3.72 0.45 0.00 0.00 0.00 0.00 23.12 19.71 3lfy s ALA 163 CO -0.03 -2.16 1.37 1.33 0.00 0.00 0.00 175.76 176.27 3lfy n VAL 164 N 6.50 1.64 -3.38 0.00 0.24 -0.95 -0.86 118.33 121.52 3lfy n VAL 164 Ca 0.07 -1.39 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 3lfy n VAL 164 Cb 0.49 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 3lfy n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lfy n GLY 165 N 0.16 -1.47 3.64 7.63 0.00 -1.19 -1.12 105.19 112.83 3lfy n GLY 165 Ca 0.17 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 45.06 3lfy n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3lfy s TYR 166 N -2.90 -0.06 0.30 1.61 -0.85 0.43 -1.01 117.35 114.88 3lfy s TYR 166 Ca 0.00 -0.08 0.05 0.00 -0.52 0.00 0.00 57.07 56.52 3lfy s TYR 166 Cb 0.00 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.88 3lfy s TYR 166 CO 0.00 -0.37 0.19 0.41 -1.52 0.00 0.00 175.55 174.26 3lfy n GLY 167 N -0.48 3.22 0.25 5.49 0.00 -0.79 -1.34 105.19 111.53 3lfy n GLY 167 Ca -0.08 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.12 3lfy n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lfy h PRO 168 N 0.00 0.00 -0.05 1.61 0.13 -1.95 -3.12 132.00 128.62 3lfy h PRO 168 Ca -0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 3lfy h PRO 168 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3lfy h PRO 168 CO 0.34 0.15 -0.15 0.27 -0.23 0.00 0.00 178.00 178.38 3lfy n ASN 169 N -3.41 2.30 -1.64 1.44 6.94 -1.26 -4.90 115.26 114.72 3lfy n ASN 169 Ca -0.01 -3.37 0.00 0.00 -0.02 0.00 0.00 54.58 51.19 3lfy n ASN 169 Cb 0.34 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 3lfy n ASN 169 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3lfy n TYR 170 N -1.24 -0.34 -3.56 -2.53 4.11 -1.18 -3.88 117.16 108.54 3lfy n TYR 170 Ca 0.18 -0.20 -0.19 0.00 -0.00 0.00 0.00 57.90 57.69 3lfy n TYR 170 Cb 0.70 0.09 -0.14 0.00 -0.00 0.00 0.00 39.34 39.99 3lfy n TYR 170 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3lfy s ILE 171 N -2.20 -0.27 0.22 -3.48 1.01 0.51 -1.89 121.20 115.09 3lfy s ILE 171 Ca 0.07 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 3lfy s ILE 171 Cb -0.00 -0.56 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 3lfy s ILE 171 CO 0.00 -0.12 1.46 -0.22 0.00 0.00 0.00 174.94 176.06 3lfy s LEU 172 N 2.29 4.38 -0.01 2.97 2.96 -0.18 -1.86 118.68 129.23 3lfy s LEU 172 Ca 0.05 2.61 0.02 0.00 -0.22 0.00 0.00 54.13 56.59 3lfy s LEU 172 Cb -0.15 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3lfy s LEU 172 CO -0.10 -0.72 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.53 3lfy s ILE 173 N 0.34 0.44 -0.39 6.68 1.01 0.95 -2.24 121.20 128.00 3lfy s ILE 173 Ca 0.62 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.93 3lfy s ILE 173 Cb -0.42 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3lfy s ILE 173 CO 0.39 0.15 0.28 -0.75 0.00 0.00 0.00 174.94 175.01 3lfy s LYS 174 N 0.14 3.14 0.51 2.79 2.20 0.23 -1.02 119.74 127.73 3lfy s LYS 174 Ca -0.01 -0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 3lfy s LYS 174 Cb -0.05 -3.92 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 3lfy s LYS 174 CO -0.00 -0.65 0.78 1.21 -0.36 0.00 0.00 175.35 176.32 3lfy s ASN 175 N 1.70 5.82 -0.41 1.43 3.84 -0.57 -2.75 114.94 124.00 3lfy s ASN 175 Ca 0.06 0.57 0.04 0.00 0.21 0.00 0.00 52.86 53.74 3lfy s ASN 175 Cb -0.18 -1.74 0.45 0.00 -0.55 0.00 0.00 41.25 39.23 3lfy s ASN 175 CO 0.10 -0.81 1.42 -1.54 -2.79 0.00 0.00 177.10 173.48 3lfy n SER 176 N -2.30 5.67 -1.69 -4.21 3.41 -1.26 -4.66 113.62 108.58 3lfy n SER 176 Ca 0.02 -3.76 -0.15 0.00 -0.26 0.00 0.00 58.87 54.72 3lfy n SER 176 Cb 0.57 -0.53 0.17 0.00 -0.26 0.00 0.00 64.21 64.17 3lfy n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3lfy n TRP 177 N -0.74 2.05 0.00 7.33 8.01 -1.25 0.98 117.44 133.83 3lfy n TRP 177 Ca 0.49 -1.85 0.00 0.00 -1.31 0.00 0.00 57.50 54.83 3lfy n TRP 177 Cb 0.85 -0.73 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 3lfy n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3lfy n GLY 178 N -1.10 -1.01 0.01 6.99 0.00 -0.80 -4.28 105.19 104.99 3lfy n GLY 178 Ca 0.46 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 45.01 3lfy n GLY 178 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3lfy n THR 179 N -0.85 0.00 1.25 2.61 5.66 -1.26 -3.27 114.28 118.41 3lfy n THR 179 Ca 0.00 -0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 3lfy n THR 179 Cb 0.00 -0.46 0.34 0.00 -1.55 0.00 0.00 70.33 68.66 3lfy n THR 179 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3lfy n GLY 180 N 1.38 -0.34 3.89 1.09 0.00 -1.26 -3.38 105.19 106.56 3lfy n GLY 180 Ca 0.11 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3lfy n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3lfy s TRP 181 N -2.38 3.54 0.00 1.61 -0.00 -1.20 -4.86 118.94 115.64 3lfy s TRP 181 Ca 0.26 0.59 0.00 0.00 -0.00 0.00 0.00 56.10 56.96 3lfy s TRP 181 Cb 0.19 -2.02 0.00 0.00 -0.00 0.00 0.00 33.47 31.65 3lfy s TRP 181 CO 0.48 0.54 0.00 0.41 -0.00 0.00 0.00 176.95 178.38 3lfy n GLY 182 N 0.70 2.02 3.51 5.86 0.00 -1.05 0.12 105.19 116.35 3lfy n GLY 182 Ca -0.07 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3lfy n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lfy s GLU 183 N 0.00 3.93 -1.49 1.61 2.02 -0.31 -4.39 118.70 120.07 3lfy s GLU 183 Ca 0.00 -2.11 -0.13 0.00 0.02 0.00 0.00 54.97 52.75 3lfy s GLU 183 Cb 0.00 -5.22 0.09 0.00 0.10 0.00 0.00 34.13 29.10 3lfy s GLU 183 CO 0.00 -1.97 0.78 0.09 0.02 0.00 0.00 175.26 174.18 3lfy n ASN 184 N 6.99 -4.41 0.00 -0.19 4.13 -1.16 -0.99 115.26 119.63 3lfy n ASN 184 Ca 0.38 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.99 3lfy n ASN 184 Cb 0.46 -3.57 0.00 0.00 -1.54 0.00 0.00 39.78 35.13 3lfy n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3lfy n GLY 185 N -1.48 0.43 3.74 7.41 0.00 0.33 -4.60 105.19 111.01 3lfy n GLY 185 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3lfy n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lfy s TYR 186 N -2.16 2.71 -0.10 1.61 2.02 -0.16 -1.51 117.35 119.76 3lfy s TYR 186 Ca 0.00 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.22 3lfy s TYR 186 Cb 0.00 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 3lfy s TYR 186 CO 0.00 0.32 0.25 -1.50 -1.57 0.00 0.00 175.55 173.06 3lfy s ILE 187 N -2.43 -0.00 -0.38 2.71 2.07 -0.19 -1.17 121.20 121.81 3lfy s ILE 187 Ca 0.38 0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 59.57 3lfy s ILE 187 Cb -0.02 -0.36 0.06 0.00 0.13 0.00 0.00 42.46 42.27 3lfy s ILE 187 CO 0.23 0.01 0.18 -0.13 -1.91 0.00 0.00 174.94 173.31 3lfy s ARG 188 N 0.26 2.53 -0.09 3.50 0.52 -1.26 -0.03 118.95 124.38 3lfy s ARG 188 Ca -0.01 -1.38 -0.14 0.00 -0.52 0.00 0.00 55.73 53.68 3lfy s ARG 188 Cb -0.03 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 3lfy s ARG 188 CO -0.01 -0.84 0.35 0.42 0.02 0.00 0.00 175.30 175.25 3lfy s ILE 189 N 1.38 5.20 0.47 1.52 1.01 -0.78 -1.28 121.20 128.72 3lfy s ILE 189 Ca 0.01 0.69 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 3lfy s ILE 189 Cb -0.21 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 3lfy s ILE 189 CO 0.02 0.48 0.74 1.17 0.00 0.00 0.00 174.94 177.35 3lfy n LYS 190 N 2.71 0.84 -4.24 2.79 3.00 -0.19 -0.36 118.16 122.71 3lfy n LYS 190 Ca -0.13 0.31 -0.16 0.00 -0.00 0.00 0.00 58.31 58.34 3lfy n LYS 190 Cb 0.52 -1.79 -0.09 0.00 0.00 0.00 0.00 35.03 33.67 3lfy n LYS 190 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3lfy s ARG 191 N -1.96 1.50 -1.08 1.64 1.70 -1.25 -4.56 118.95 114.93 3lfy s ARG 191 Ca 0.66 -1.82 -0.04 0.00 -0.47 0.00 0.00 55.73 54.05 3lfy s ARG 191 Cb -0.53 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.15 3lfy s ARG 191 CO 0.56 -0.53 0.93 0.41 -1.08 0.00 0.00 175.30 175.58 3lfy n GLY 192 N -0.45 -0.27 0.11 3.88 0.00 -1.26 -4.74 105.19 102.45 3lfy n GLY 192 Ca 0.05 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3lfy n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lfy h THR 193 N -1.99 0.27 0.00 2.61 1.03 -2.01 -3.48 112.91 109.34 3lfy h THR 193 Ca -0.49 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.40 3lfy h THR 193 Cb 1.30 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 70.18 3lfy h THR 193 CO 0.45 0.15 0.00 0.61 -0.01 0.00 0.00 175.52 176.72 3lfy n GLY 194 N 1.28 2.70 3.67 2.99 0.00 -1.26 -5.03 105.19 109.54 3lfy n GLY 194 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3lfy n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3lfy s ASN 195 N -1.30 6.81 0.19 1.61 2.47 -1.26 -4.97 114.94 118.49 3lfy s ASN 195 Ca 0.00 0.99 -0.12 0.00 0.42 0.00 0.00 52.86 54.15 3lfy s ASN 195 Cb 0.00 -2.39 0.20 0.00 -1.45 0.00 0.00 41.25 37.61 3lfy s ASN 195 CO 0.00 -0.29 1.74 0.28 -3.72 0.00 0.00 177.10 175.10 3lfy h SER 196 N 7.34 0.13 -0.34 -4.21 0.02 -1.96 -1.16 113.55 113.37 3lfy h SER 196 Ca -0.32 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 60.80 3lfy h SER 196 Cb 1.15 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3lfy h SER 196 CO 0.79 0.10 0.26 1.88 -1.14 0.00 0.00 176.83 178.72 3lfy h TYR 197 N 0.32 0.00 -0.25 3.45 0.05 -1.93 -3.39 116.97 115.22 3lfy h TYR 197 Ca 0.26 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.05 3lfy h TYR 197 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3lfy h TYR 197 CO -0.19 0.00 -0.08 0.41 -1.05 0.00 0.00 178.16 177.25 3lfy n GLY 198 N -1.56 -2.77 3.68 3.88 0.00 -0.44 -2.00 105.19 105.97 3lfy n GLY 198 Ca 0.05 -1.35 -0.47 0.00 0.00 0.00 0.00 46.02 44.25 3lfy n GLY 198 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3lfy n VAL 199 N -1.90 0.59 -1.25 1.61 0.31 -1.26 0.00 118.33 116.44 3lfy n VAL 199 Ca -0.00 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 3lfy n VAL 199 Cb 0.04 -1.97 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 3lfy n VAL 199 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lfy n GLY 201 N -1.65 -0.13 0.14 0.00 0.00 0.10 -1.31 105.19 102.35 3lfy n GLY 201 Ca -0.09 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3lfy n GLY 201 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3lfy n LEU 202 N -3.04 0.57 -0.87 0.99 7.94 -0.85 -1.77 117.00 119.98 3lfy n LEU 202 Ca -0.06 0.71 0.09 0.00 -1.11 0.00 0.00 56.01 55.65 3lfy n LEU 202 Cb 0.57 -0.73 0.15 0.00 0.53 0.00 0.00 43.42 43.95 3lfy n LEU 202 CO 0.35 -0.79 0.61 -1.22 -1.11 0.00 0.00 177.39 175.24 3lfy n TYR 203 N -2.21 0.33 0.05 1.96 0.53 -0.86 -4.39 117.16 112.57 3lfy n TYR 203 Ca -0.00 -0.21 -0.01 0.00 -1.02 0.00 0.00 57.90 56.65 3lfy n TYR 203 Cb 0.10 -0.01 0.27 0.00 -1.03 0.00 0.00 39.34 38.68 3lfy n TYR 203 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 3lfy h THR 204 N 3.47 1.24 -0.64 -0.72 2.02 -1.51 0.14 112.91 116.91 3lfy h THR 204 Ca 0.00 -1.09 0.15 0.00 0.77 0.00 0.00 66.41 66.24 3lfy h THR 204 Cb 0.81 1.28 -0.21 0.00 -1.74 0.00 0.00 68.15 68.30 3lfy h THR 204 CO 0.00 0.35 -0.11 -0.55 0.37 0.00 0.00 175.52 175.58 3lfy s SER 205 N -6.82 -0.95 -0.01 4.18 0.15 -1.26 -4.75 113.70 104.25 3lfy s SER 205 Ca -0.06 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.03 3lfy s SER 205 Cb 0.14 1.72 -0.01 0.00 -1.71 0.00 0.00 66.02 66.16 3lfy s SER 205 CO 0.77 -0.18 -0.14 -0.44 1.20 0.00 0.00 173.24 174.46 3lfy s SER 206 N 2.90 1.59 0.28 5.45 0.01 -1.26 -3.33 113.70 119.34 3lfy s SER 206 Ca 0.13 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.14 3lfy s SER 206 Cb -0.10 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 3lfy s SER 206 CO -0.19 0.16 0.11 -0.36 0.41 0.00 0.00 173.24 173.37 3lfy s PHE 207 N -0.36 1.60 -0.10 2.43 0.40 0.11 -1.35 117.98 120.71 3lfy s PHE 207 Ca 0.05 -1.22 -0.28 0.00 -0.60 0.00 0.00 56.93 54.88 3lfy s PHE 207 Cb -0.05 -0.93 0.07 0.00 0.51 0.00 0.00 43.02 42.61 3lfy s PHE 207 CO -0.00 -0.36 0.66 1.52 0.70 0.00 0.00 175.22 177.74 3lfy s TYR 208 N -3.66 -0.65 0.64 0.36 1.13 -0.79 -0.70 117.35 113.68 3lfy s TYR 208 Ca 0.36 1.25 -0.17 0.00 -1.41 0.00 0.00 57.07 57.11 3lfy s TYR 208 Cb 0.07 0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 41.27 3lfy s TYR 208 CO 0.15 -0.54 1.15 -2.14 -2.51 0.00 0.00 175.55 171.66 3lfy s PRO 209 N -0.83 2.82 -0.23 -3.49 0.02 -1.26 -2.67 135.00 129.36 3lfy s PRO 209 Ca -0.09 1.59 0.01 0.00 0.02 0.00 0.00 61.00 62.53 3lfy s PRO 209 Cb -0.01 -1.94 0.06 0.00 0.02 0.00 0.00 34.50 32.63 3lfy s PRO 209 CO 0.07 -1.27 -0.07 0.08 -0.33 0.00 0.00 177.00 175.49 3lfy s VAL 210 N -2.01 1.64 -0.10 3.83 1.01 0.17 -4.90 120.40 120.04 3lfy s VAL 210 Ca 0.71 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3lfy s VAL 210 Cb -0.25 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3lfy s VAL 210 CO 0.37 -0.04 -0.09 -0.75 0.00 0.00 0.00 175.10 174.59 3lfy s LYS 211 N 1.35 1.62 0.00 2.72 2.47 -1.26 0.64 119.74 127.29 3lfy s LYS 211 Ca -0.05 -0.32 0.27 0.00 -1.56 0.00 0.00 55.97 54.30 3lfy s LYS 211 Cb -0.19 -1.55 1.60 0.00 -1.46 0.00 0.00 37.83 36.23 3lfy s LYS 211 CO -0.06 -0.17 1.95 0.09 0.16 0.00 0.00 175.35 177.32