#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 -1.62 0.13 6.28 0.02 -1.26 -4.94 135.00 133.62 3lfy s PRO 2 Ca 0.00 0.71 0.24 0.00 0.02 0.00 0.00 61.00 61.97 3lfy s PRO 2 Cb 0.00 -1.48 0.37 0.00 0.02 0.00 0.00 34.50 33.40 3lfy s PRO 2 CO 0.00 -4.15 1.35 0.93 -0.33 0.00 0.00 177.00 174.79 3lfy h GLU 3 N -2.93 0.00 -3.74 5.54 5.08 -1.98 -3.45 114.58 113.11 3lfy h GLU 3 Ca -0.60 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.35 3lfy h GLU 3 Cb 1.34 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.23 3lfy h GLU 3 CO 0.46 0.00 -0.76 0.71 -1.00 0.00 0.00 179.01 178.42 3lfy s TYR 4 N -3.17 0.56 -0.05 4.33 2.02 -1.26 -3.37 117.35 116.41 3lfy s TYR 4 Ca 0.06 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3lfy s TYR 4 Cb 0.13 -0.67 0.02 0.00 -0.40 0.00 0.00 41.96 41.04 3lfy s TYR 4 CO 0.71 -0.25 -0.08 0.08 -1.57 0.00 0.00 175.55 174.44 3lfy s VAL 5 N 1.58 0.82 -0.33 0.71 1.01 -0.31 -4.97 120.40 118.92 3lfy s VAL 5 Ca -0.01 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3lfy s VAL 5 Cb -0.13 -0.78 0.16 0.00 0.00 0.00 0.00 36.38 35.63 3lfy s VAL 5 CO -0.03 0.28 0.44 -0.62 0.00 0.00 0.00 175.10 175.17 3lfy s ASP 6 N 0.72 0.23 0.00 3.32 -1.08 -1.26 -0.22 116.67 118.38 3lfy s ASP 6 Ca -0.12 -0.70 0.01 0.00 -0.52 0.00 0.00 52.55 51.22 3lfy s ASP 6 Cb -0.15 1.13 0.04 0.00 -1.46 0.00 0.00 42.92 42.49 3lfy s ASP 6 CO 0.02 -0.31 0.95 0.79 0.52 0.00 0.00 175.17 177.14 3lfy n TRP 7 N 4.97 0.00 -0.03 -5.34 7.02 0.15 -1.62 117.44 122.58 3lfy n TRP 7 Ca 0.05 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.38 3lfy n TRP 7 Cb 0.50 -0.41 -0.09 0.00 -2.42 0.00 0.00 31.31 28.88 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 0.33 -0.69 -0.99 3.08 -1.92 0.64 114.38 114.83 3lfy h ARG 8 Ca 0.00 -0.26 0.15 0.00 0.07 0.00 0.00 59.98 59.94 3lfy h ARG 8 Cb 0.01 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.01 3lfy h ARG 8 CO 0.00 0.89 0.14 1.96 -1.07 0.00 0.00 179.97 181.89 3lfy h GLN 9 N -0.16 0.24 0.00 0.04 1.08 -1.71 1.51 115.11 116.11 3lfy h GLN 9 Ca -0.02 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3lfy h GLN 9 Cb 0.94 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3lfy h GLN 9 CO 0.06 0.16 0.00 1.63 -0.95 0.00 0.00 178.83 179.73 3lfy n LYS 10 N -5.17 0.68 -3.60 1.46 4.76 -1.19 -4.85 118.16 110.26 3lfy n LYS 10 Ca 0.12 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.34 3lfy n LYS 10 Cb 0.42 -1.24 0.07 0.00 -1.84 0.00 0.00 35.03 32.43 3lfy n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3lfy n GLY 11 N 0.27 -0.44 0.50 0.72 0.00 0.52 -4.90 105.19 101.87 3lfy n GLY 11 Ca 0.08 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.55 2.31 -3.38 4.61 0.00 0.20 -4.68 120.51 115.02 3lfy n ALA 12 Ca -0.14 -0.87 -0.28 0.00 0.00 0.00 0.00 53.44 52.15 3lfy n ALA 12 Cb 0.61 -0.37 -0.17 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.93 1.59 0.57 0.00 1.01 -1.24 -3.76 120.40 117.64 3lfy s VAL 13 Ca 0.17 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3lfy s VAL 13 Cb 0.10 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3lfy s VAL 13 CO 0.14 0.46 0.88 0.42 0.00 0.00 0.00 175.10 177.00 3lfy s THR 14 N 0.55 4.01 0.94 3.92 -4.23 -1.26 -4.95 115.64 114.63 3lfy s THR 14 Ca -0.16 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.32 3lfy s THR 14 Cb -0.17 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 3lfy s THR 14 CO 0.05 -0.60 0.07 -2.65 -0.54 0.00 0.00 174.62 170.96 3lfy n PRO 15 N -2.52 -0.17 -2.58 3.99 -0.02 -1.26 -4.89 135.00 127.55 3lfy n PRO 15 Ca 0.04 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 3lfy n PRO 15 Cb 0.57 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 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 -2.25 4.53 0.36 -1.45 1.01 -1.26 -5.04 120.40 116.30 3lfy s VAL 16 Ca 0.53 1.82 0.07 0.00 0.00 0.00 0.00 61.98 64.39 3lfy s VAL 16 Cb -0.21 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 3lfy s VAL 16 CO 0.71 0.03 0.50 -0.54 0.00 0.00 0.00 175.10 175.81 3lfy s LYS 17 N 1.86 3.04 -0.21 2.72 3.01 -1.26 -4.52 119.74 124.38 3lfy s LYS 17 Ca 0.53 -1.04 0.00 0.00 -1.01 0.00 0.00 55.97 54.44 3lfy s LYS 17 Cb -0.22 -2.79 0.02 0.00 -1.01 0.00 0.00 37.83 33.83 3lfy s LYS 17 CO 0.22 -0.04 -0.14 1.21 0.51 0.00 0.00 175.35 177.11 3lfy s ASN 18 N -4.22 3.70 0.05 2.83 3.84 -1.25 -1.89 114.94 118.00 3lfy s ASN 18 Ca 0.48 -0.78 0.26 0.00 0.21 0.00 0.00 52.86 53.03 3lfy s ASN 18 Cb -0.10 -1.56 1.05 0.00 -0.55 0.00 0.00 41.25 40.09 3lfy s ASN 18 CO 0.32 -0.06 1.82 0.00 -2.79 0.00 0.00 177.10 176.39 3lfy n GLN 19 N 4.62 0.06 0.00 0.43 10.64 -0.23 -4.91 117.38 127.99 3lfy n GLN 19 Ca -0.19 0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 3lfy n GLN 19 Cb 0.48 -1.58 0.00 0.00 -0.86 0.00 0.00 30.24 28.29 3lfy n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3lfy n GLY 20 N 1.15 1.80 2.72 2.61 0.00 -1.26 -3.54 105.19 108.66 3lfy n GLY 20 Ca 0.06 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3lfy n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3lfy n SER 21 N -0.86 6.27 -3.91 1.61 7.64 -1.26 -4.90 113.62 118.21 3lfy n SER 21 Ca 0.00 -3.13 -0.10 0.00 1.01 0.00 0.00 58.87 56.64 3lfy n SER 21 Cb 0.00 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 61.67 3lfy n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lfy n GLY 23 N 1.56 4.86 3.26 0.00 0.00 -0.33 -4.99 105.19 109.54 3lfy n GLY 23 Ca -0.23 -2.07 -0.44 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.32 6.13 0.00 1.61 1.04 -1.26 -2.21 113.70 118.69 3lfy s SER 24 Ca 0.55 -2.32 0.00 0.00 0.48 0.00 0.00 55.95 54.66 3lfy s SER 24 Cb 0.40 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.42 3lfy s SER 24 CO -0.26 -0.64 0.00 -2.67 0.98 0.00 0.00 173.24 170.65 3lfy n TRP 26 N 4.42 0.00 0.11 5.02 4.27 -1.26 -1.61 117.44 128.39 3lfy n TRP 26 Ca 0.01 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.50 3lfy n TRP 26 Cb 0.42 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.29 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 -0.72 -1.67 0.00 -1.90 -1.64 119.26 113.03 3lfy h ALA 27 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3lfy h ALA 27 Cb 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3lfy h ALA 27 CO 0.00 -0.45 0.39 0.74 0.00 0.00 0.00 179.25 179.93 3lfy h PHE 28 N -0.74 0.71 -0.40 0.00 -1.00 -1.64 0.41 116.94 114.29 3lfy h PHE 28 Ca -0.03 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.79 3lfy h PHE 28 Cb 0.50 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 3lfy h PHE 28 CO 0.05 0.31 0.24 1.03 -1.61 0.00 0.00 178.31 178.33 3lfy h SER 29 N 0.70 0.39 -0.24 2.17 0.87 -1.75 -2.25 113.55 113.44 3lfy h SER 29 Ca 0.33 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.84 3lfy h SER 29 Cb 0.26 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3lfy h SER 29 CO -0.22 0.28 -0.04 0.00 -0.53 0.00 0.00 176.83 176.32 3lfy h ALA 30 N 1.17 0.33 -0.11 6.23 0.00 -0.74 -2.85 119.26 123.28 3lfy h ALA 30 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3lfy h ALA 30 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3lfy h ALA 30 CO -0.06 0.11 0.11 0.28 0.00 0.00 0.00 179.25 179.68 3lfy h VAL 31 N 0.20 0.61 -0.09 0.00 2.07 -0.76 -1.75 116.25 116.53 3lfy h VAL 31 Ca 0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 3lfy h VAL 31 Cb 0.49 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3lfy h VAL 31 CO 0.02 0.00 -0.43 0.58 0.02 0.00 0.00 177.57 177.76 3lfy h VAL 32 N 0.00 1.39 0.00 2.57 2.07 -1.17 -1.79 116.25 119.32 3lfy h VAL 32 Ca 0.05 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 3lfy h VAL 32 Cb 0.27 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3lfy h VAL 32 CO -0.00 0.53 -0.09 0.71 0.02 0.00 0.00 177.57 178.74 3lfy h THR 33 N 0.02 0.60 0.03 2.57 1.35 -1.26 -2.11 112.91 114.11 3lfy h THR 33 Ca -0.03 -0.38 -0.07 0.00 -0.55 0.00 0.00 66.41 65.38 3lfy h THR 33 Cb 1.08 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 68.75 3lfy h THR 33 CO 0.09 0.09 -0.30 0.40 -0.25 0.00 0.00 175.52 175.55 3lfy h ILE 34 N 0.00 1.60 0.00 6.82 2.04 -1.25 -2.26 117.51 124.45 3lfy h ILE 34 Ca -0.00 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.71 3lfy h ILE 34 Cb 0.23 3.00 -0.00 0.00 -0.74 0.00 0.00 36.82 39.31 3lfy h ILE 34 CO 0.01 0.59 -0.00 -0.33 0.00 0.00 0.00 178.15 178.41 3lfy h GLU 35 N -0.59 0.00 0.00 2.37 5.08 -1.03 -1.45 114.58 118.96 3lfy h GLU 35 Ca -0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3lfy h GLU 35 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3lfy h GLU 35 CO 0.06 0.00 -0.18 0.78 -1.00 0.00 0.00 179.01 178.67 3lfy h GLY 36 N 0.01 0.00 1.23 -3.84 0.00 -1.44 -2.99 103.07 96.05 3lfy h GLY 36 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3lfy h GLY 36 CO 0.00 0.00 0.38 1.19 0.00 0.00 0.00 176.54 178.11 3lfy h ILE 37 N -1.00 1.01 -0.32 2.60 6.09 -1.22 0.11 117.51 124.78 3lfy h ILE 37 Ca -0.05 -0.19 -0.11 0.00 -1.37 0.00 0.00 64.86 63.14 3lfy h ILE 37 Cb 1.03 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 3lfy h ILE 37 CO -0.03 0.10 -0.24 0.40 -3.07 0.00 0.00 178.15 175.31 3lfy h ILE 38 N 0.57 1.27 -0.44 2.19 1.08 -1.37 -2.25 117.51 118.56 3lfy h ILE 38 Ca 0.24 -1.31 -0.09 0.00 -0.39 0.00 0.00 64.86 63.32 3lfy h ILE 38 Cb 0.25 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 3lfy h ILE 38 CO -0.07 0.43 -0.07 0.50 -0.69 0.00 0.00 178.15 178.24 3lfy h LYS 39 N 0.55 0.83 -0.64 2.37 1.63 -0.72 0.19 116.57 120.77 3lfy h LYS 39 Ca 0.08 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 3lfy h LYS 39 Cb 0.70 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 3lfy h LYS 39 CO 0.05 0.93 0.32 0.82 -3.45 0.00 0.00 179.45 178.12 3lfy h ILE 40 N 0.66 1.20 0.03 2.00 2.04 -0.76 0.69 117.51 123.38 3lfy h ILE 40 Ca 0.12 -0.56 -0.24 0.00 1.00 0.00 0.00 64.86 65.18 3lfy h ILE 40 Cb 0.60 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3lfy h ILE 40 CO 0.04 0.24 -1.29 0.03 0.00 0.00 0.00 178.15 177.16 3lfy h ARG 41 N 0.90 0.05 0.00 2.37 2.47 -1.32 -3.42 114.38 115.43 3lfy h ARG 41 Ca 0.23 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3lfy h ARG 41 Cb 0.07 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3lfy h ARG 41 CO -0.03 1.04 -0.05 1.15 0.56 0.00 0.00 179.97 182.64 3lfy h THR 42 N -0.81 0.43 0.00 2.04 2.02 -0.69 -3.48 112.91 112.41 3lfy h THR 42 Ca -0.34 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3lfy h THR 42 Cb 1.42 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3lfy h THR 42 CO -0.14 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3lfy n GLY 43 N 1.73 1.25 3.11 2.16 0.00 0.23 -5.03 105.19 108.65 3lfy n GLY 43 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.89 3.08 -0.36 1.61 0.01 -1.26 -5.01 114.94 111.12 3lfy s ASN 44 Ca 0.00 -0.63 -0.26 0.00 -0.71 0.00 0.00 52.86 51.26 3lfy s ASN 44 Cb 0.00 -1.45 0.01 0.00 0.41 0.00 0.00 41.25 40.23 3lfy s ASN 44 CO 0.00 -0.00 0.91 -0.22 -1.51 0.00 0.00 177.10 176.28 3lfy s LEU 45 N 1.29 4.01 0.15 0.60 2.96 -1.26 -3.95 118.68 122.48 3lfy s LEU 45 Ca 0.04 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.63 3lfy s LEU 45 Cb -0.13 -3.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3lfy s LEU 45 CO -0.12 -0.83 -0.20 0.20 -1.32 0.00 0.00 176.35 174.07 3lfy s ASN 46 N 1.85 2.72 -0.15 3.68 0.02 -1.26 -5.09 114.94 116.71 3lfy s ASN 46 Ca 0.38 -0.80 -0.08 0.00 -1.02 0.00 0.00 52.86 51.33 3lfy s ASN 46 Cb -0.12 -0.16 -0.04 0.00 0.02 0.00 0.00 41.25 40.94 3lfy s ASN 46 CO 0.18 0.01 0.13 -1.61 0.02 0.00 0.00 177.10 175.83 3lfy s GLU 47 N -2.48 3.70 0.10 -0.60 2.02 -1.26 -4.60 118.70 115.58 3lfy s GLU 47 Ca 0.13 -0.18 0.09 0.00 0.02 0.00 0.00 54.97 55.03 3lfy s GLU 47 Cb -0.07 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 3lfy s GLU 47 CO 0.06 0.59 -0.20 0.71 0.02 0.00 0.00 175.26 176.44 3lfy s TYR 48 N -0.49 2.49 -0.27 1.61 1.51 -1.26 -1.12 117.35 119.81 3lfy s TYR 48 Ca 0.12 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.58 3lfy s TYR 48 Cb -0.12 -1.35 -0.07 0.00 -0.11 0.00 0.00 41.96 40.31 3lfy s TYR 48 CO 0.02 0.34 2.22 0.45 -1.11 0.00 0.00 175.55 177.46 3lfy n SER 49 N 1.00 2.81 0.14 2.29 2.88 0.16 -4.38 113.62 118.53 3lfy n SER 49 Ca -0.16 0.27 0.06 0.00 -1.33 0.00 0.00 58.87 57.71 3lfy n SER 49 Cb 0.53 -1.44 0.05 0.00 -0.75 0.00 0.00 64.21 62.59 3lfy n SER 49 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3lfy h GLU 50 N 14.12 0.00 -0.55 -1.46 3.07 -1.91 -3.14 114.58 124.71 3lfy h GLU 50 Ca -0.35 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.46 3lfy h GLU 50 Cb 1.27 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.16 3lfy h GLU 50 CO 0.98 0.28 0.15 0.37 -1.40 0.00 0.00 179.01 179.40 3lfy h GLN 51 N 0.00 0.84 -0.16 2.33 5.75 -1.86 -0.06 115.11 121.95 3lfy h GLN 51 Ca -0.02 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.33 3lfy h GLN 51 Cb 1.27 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 3lfy h GLN 51 CO 0.04 0.75 0.05 1.49 -2.65 0.00 0.00 178.83 178.51 3lfy h GLU 52 N 0.82 0.12 -0.08 1.69 4.81 -1.77 -0.91 114.58 119.25 3lfy h GLU 52 Ca 0.18 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3lfy h GLU 52 Cb 0.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3lfy h GLU 52 CO -0.00 0.08 -0.38 -0.07 -0.73 0.00 0.00 179.01 177.91 3lfy h LEU 53 N 0.13 0.18 -0.40 1.64 3.38 -1.53 -0.89 115.31 117.83 3lfy h LEU 53 Ca 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3lfy h LEU 53 Cb 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3lfy h LEU 53 CO -0.07 0.55 0.14 0.25 0.09 0.00 0.00 178.44 179.39 3lfy h LEU 54 N 0.15 0.57 0.03 1.67 5.85 -0.41 -1.89 115.31 121.27 3lfy h LEU 54 Ca 0.02 -0.19 -0.25 0.00 0.84 0.00 0.00 57.88 58.30 3lfy h LEU 54 Cb 0.75 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3lfy h LEU 54 CO 0.06 0.60 -1.26 0.44 -0.34 0.00 0.00 178.44 177.94 3lfy h ASP 55 N 0.50 0.08 0.19 1.25 3.32 -1.06 -3.38 116.42 117.32 3lfy h ASP 55 Ca 0.13 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3lfy h ASP 55 Cb 0.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3lfy h ASP 55 CO -0.01 1.09 -1.51 0.00 -1.72 0.00 0.00 179.24 177.09 3lfy s ASP 57 N -4.20 5.81 0.00 0.00 -1.08 -0.71 -4.83 116.67 111.65 3lfy s ASP 57 Ca -0.02 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.03 3lfy s ASP 57 Cb 0.14 -2.55 1.25 0.00 -1.46 0.00 0.00 42.92 40.30 3lfy s ASP 57 CO 0.87 -2.06 1.89 0.54 0.52 0.00 0.00 175.17 176.93 3lfy n ARG 58 N 9.25 0.19 0.02 4.34 1.74 -1.26 -2.63 116.66 128.30 3lfy n ARG 58 Ca 0.13 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 3lfy n ARG 58 Cb 0.50 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.40 0.17 0.00 5.56 1.74 -1.26 -4.89 116.66 116.58 3lfy n ARG 59 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3lfy n ARG 59 Cb 0.27 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3lfy n ARG 59 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3lfy n SER 60 N -1.79 0.00 -2.83 0.55 7.64 -1.08 -4.85 113.62 111.27 3lfy n SER 60 Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.91 3lfy n SER 60 Cb 0.39 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.64 3lfy n SER 60 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3lfy n TYR 61 N 0.00 1.20 0.00 1.43 4.01 -0.70 -4.93 117.16 118.17 3lfy n TYR 61 Ca 0.00 -2.17 0.00 0.00 -0.16 0.00 0.00 57.90 55.57 3lfy n TYR 61 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 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 -0.58 3.15 1.30 2.72 0.00 -1.23 -0.13 105.19 110.43 3lfy n GLY 62 Ca 0.07 0.26 0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 0.33 2.23 0.00 0.00 5.15 0.81 -1.19 115.26 122.59 3lfy n ASN 64 Ca 0.16 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 3lfy n ASN 64 Cb 0.80 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 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 -1.35 0.97 0.00 8.20 0.00 -0.94 -4.82 105.19 107.26 3lfy n GLY 65 Ca 0.17 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.02 -1.66 2.95 -0.02 0.00 -1.26 -1.73 105.19 102.45 3lfy n GLY 66 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.63 0.96 0.26 1.61 1.51 -1.26 -4.79 117.35 113.00 3lfy s TYR 67 Ca 0.00 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 3lfy s TYR 67 Cb 0.00 -0.76 0.32 0.00 -0.11 0.00 0.00 41.96 41.41 3lfy s TYR 67 CO 0.00 -0.19 1.76 -1.35 -1.11 0.00 0.00 175.55 174.67 3lfy h PRO 68 N 6.93 0.84 -0.24 -1.71 0.11 -2.00 -2.83 132.00 133.10 3lfy h PRO 68 Ca -0.35 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 3lfy h PRO 68 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3lfy h PRO 68 CO 0.48 0.81 0.12 0.11 -0.21 0.00 0.00 178.00 179.31 3lfy h TRP 69 N 0.78 0.34 -0.07 0.65 5.08 -1.96 0.07 115.95 120.85 3lfy h TRP 69 Ca 0.16 -0.02 -0.04 0.00 1.08 0.00 0.00 58.89 60.08 3lfy h TRP 69 Cb 0.42 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.47 3lfy h TRP 69 CO 0.02 0.33 -0.12 0.66 -1.28 0.00 0.00 178.44 178.04 3lfy h SER 70 N 0.26 0.09 -0.33 0.11 4.64 -1.97 0.23 113.55 116.57 3lfy h SER 70 Ca 0.08 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.24 3lfy h SER 70 Cb 0.11 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3lfy h SER 70 CO -0.01 0.23 -0.37 0.00 -0.87 0.00 0.00 176.83 175.81 3lfy h ALA 71 N 1.78 0.50 0.00 5.18 0.00 -1.22 -1.76 119.26 123.74 3lfy h ALA 71 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3lfy h ALA 71 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3lfy h ALA 71 CO 0.02 0.59 -0.54 -0.07 0.00 0.00 0.00 179.25 179.24 3lfy h LEU 72 N 0.63 0.00 -1.20 0.00 3.38 0.18 -2.24 115.31 116.06 3lfy h LEU 72 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3lfy h LEU 72 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3lfy h LEU 72 CO 0.09 0.54 -0.26 -0.61 0.09 0.00 0.00 178.44 178.29 3lfy h GLN 73 N 0.00 0.22 0.00 1.13 5.75 -0.34 -1.84 115.11 120.03 3lfy h GLN 73 Ca -0.01 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3lfy h GLN 73 Cb 0.97 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.49 3lfy h GLN 73 CO 0.07 0.47 -0.15 1.25 -2.65 0.00 0.00 178.83 177.82 3lfy h LEU 74 N 0.20 0.00 -0.13 -2.39 6.46 -0.74 -2.47 115.31 116.25 3lfy h LEU 74 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3lfy h LEU 74 Cb 0.58 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3lfy h LEU 74 CO 0.04 0.15 -0.51 0.52 -0.62 0.00 0.00 178.44 178.02 3lfy n VAL 75 N -3.21 0.00 0.38 1.05 0.31 -0.74 -2.70 118.33 113.43 3lfy n VAL 75 Ca 0.02 -0.03 0.11 0.00 -0.01 0.00 0.00 64.34 64.42 3lfy n VAL 75 Cb 0.48 0.40 -0.12 0.00 -0.91 0.00 0.00 33.84 33.68 3lfy n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lfy n ALA 76 N -1.29 3.48 0.09 3.52 0.00 -0.92 -1.88 120.51 123.51 3lfy n ALA 76 Ca 0.07 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.10 3lfy n ALA 76 Cb 0.34 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.83 3lfy n ALA 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3lfy n GLN 77 N -2.00 0.60 0.12 0.00 1.13 -0.96 -4.68 117.38 111.59 3lfy n GLN 77 Ca -0.01 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 3lfy n GLN 77 Cb 0.48 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3lfy n GLN 77 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3lfy n TYR 78 N -2.16 -2.06 0.00 1.08 4.01 -1.10 -5.09 117.16 111.83 3lfy n TYR 78 Ca -0.03 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 3lfy n TYR 78 Cb 0.53 0.51 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 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 1.75 0.81 3.08 2.72 0.00 -1.20 -4.85 105.19 107.50 3lfy n GLY 79 Ca 0.00 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.00 0.29 0.41 -0.61 2.07 0.17 -4.63 121.20 117.90 3lfy s ILE 80 Ca 0.00 -1.61 0.06 0.00 -1.41 0.00 0.00 60.65 57.69 3lfy s ILE 80 Cb 0.00 -1.24 0.01 0.00 0.13 0.00 0.00 42.46 41.35 3lfy s ILE 80 CO 0.00 -0.84 0.57 -1.00 -1.91 0.00 0.00 174.94 171.75 3lfy s HIS 81 N -3.24 2.93 0.60 3.50 3.76 -1.26 -0.42 115.29 121.16 3lfy s HIS 81 Ca 0.02 -0.27 -0.17 0.00 -0.15 0.00 0.00 55.06 54.49 3lfy s HIS 81 Cb 0.03 -2.30 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 3lfy s HIS 81 CO -0.07 -0.35 1.14 0.71 -0.85 0.00 0.00 174.74 175.32 3lfy s TYR 82 N -2.36 2.58 0.19 1.40 2.02 -1.26 -0.66 117.35 119.26 3lfy s TYR 82 Ca 0.52 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.66 3lfy s TYR 82 Cb -0.10 -3.28 0.11 0.00 -0.40 0.00 0.00 41.96 38.29 3lfy s TYR 82 CO 0.33 -1.76 1.77 -0.09 -1.57 0.00 0.00 175.55 174.24 3lfy h ARG 83 N 0.63 0.96 0.00 -0.62 2.43 -1.32 -1.23 114.38 115.23 3lfy h ARG 83 Ca -0.49 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 3lfy h ARG 83 Cb 1.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3lfy h ARG 83 CO 0.55 0.77 0.00 -2.95 -1.51 0.00 0.00 179.97 176.83 3lfy h ASN 84 N 0.93 0.00 1.37 -3.80 7.08 -1.92 0.45 115.58 119.69 3lfy h ASN 84 Ca 0.23 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.33 3lfy h ASN 84 Cb 0.12 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.35 3lfy h ASN 84 CO -0.03 0.00 -0.64 0.74 -2.08 0.00 0.00 177.43 175.42 3lfy h THR 85 N 0.00 0.82 -1.88 6.14 2.02 -1.61 -3.36 112.91 115.04 3lfy h THR 85 Ca 0.00 -2.20 -0.48 0.00 0.77 0.00 0.00 66.41 64.50 3lfy h THR 85 Cb 0.43 2.37 -0.38 0.00 -1.74 0.00 0.00 68.15 68.83 3lfy h THR 85 CO 0.00 0.47 -1.14 0.00 0.37 0.00 0.00 175.52 175.22 3lfy n TYR 86 N -3.18 -0.13 -1.38 3.16 4.19 -0.83 -4.97 117.16 114.02 3lfy n TYR 86 Ca 0.00 -3.66 -0.43 0.00 3.31 0.00 0.00 57.90 57.13 3lfy n TYR 86 Cb 0.75 -0.28 -0.00 0.00 0.49 0.00 0.00 39.34 40.30 3lfy n TYR 86 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3lfy n PRO 87 N 0.55 0.24 -2.39 2.98 -0.02 0.09 -4.34 135.00 132.12 3lfy n PRO 87 Ca 0.23 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 3lfy n PRO 87 Cb 0.63 -1.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.47 3.45 0.00 6.00 5.04 -1.26 -4.77 117.35 124.33 3lfy s TYR 88 Ca 0.61 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 3lfy s TYR 88 Cb -0.68 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.24 3lfy s TYR 88 CO 0.60 -1.00 0.82 0.39 -1.34 0.00 0.00 175.55 175.03 3lfy n GLU 89 N 1.75 1.72 -2.19 4.97 1.02 -1.26 -4.99 120.64 121.66 3lfy n GLU 89 Ca 0.01 -1.16 -0.12 0.00 -0.02 0.00 0.00 57.16 55.88 3lfy n GLU 89 Cb 0.44 -0.97 -0.02 0.00 -0.02 0.00 0.00 31.44 30.88 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 -0.33 -0.12 3.40 0.62 0.00 -1.26 -4.90 105.19 102.60 3lfy n GLY 90 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3lfy n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lfy s VAL 91 N -2.48 0.02 -0.27 1.61 -7.23 -1.26 -4.64 120.40 106.15 3lfy s VAL 91 Ca 0.00 -0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 59.88 3lfy s VAL 91 Cb 0.00 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 3lfy s VAL 91 CO 0.00 -0.10 0.18 -1.58 -0.31 0.00 0.00 175.10 173.29 3lfy s GLN 92 N -3.07 3.99 0.00 4.82 -0.44 -1.26 -4.95 119.66 118.76 3lfy s GLN 92 Ca -0.02 -0.30 0.00 0.00 -2.50 0.00 0.00 55.36 52.54 3lfy s GLN 92 Cb -0.00 -3.62 0.00 0.00 -1.64 0.00 0.00 33.01 27.75 3lfy s GLN 92 CO -0.07 -0.10 0.00 0.54 0.50 0.00 0.00 175.29 176.16 3lfy n ARG 93 N 4.80 3.39 -3.07 1.67 5.12 -1.26 -5.02 116.66 122.30 3lfy n ARG 93 Ca -0.14 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.50 3lfy n ARG 93 Cb 0.52 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.80 3lfy n ARG 93 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 3lfy s TYR 94 N 1.43 3.51 -0.13 -1.55 1.13 -1.26 -4.72 117.35 115.76 3lfy s TYR 94 Ca 0.00 0.68 -0.29 0.00 -1.41 0.00 0.00 57.07 56.05 3lfy s TYR 94 Cb 0.00 -2.16 -0.05 0.00 -1.10 0.00 0.00 41.96 38.65 3lfy s TYR 94 CO 0.00 -0.01 1.75 0.00 -2.51 0.00 0.00 175.55 174.78 3lfy n ARG 96 N 7.60 2.26 0.14 0.00 1.74 -1.26 -4.67 116.66 122.47 3lfy n ARG 96 Ca 0.20 -3.25 0.12 0.00 -0.77 0.00 0.00 57.85 54.15 3lfy n ARG 96 Cb 0.44 -2.05 0.50 0.00 -1.02 0.00 0.00 32.46 30.33 3lfy n ARG 96 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3lfy n SER 97 N -1.07 0.73 -0.54 0.55 2.88 -1.26 -2.52 113.62 112.39 3lfy n SER 97 Ca 0.47 0.67 0.11 0.00 -1.33 0.00 0.00 58.87 58.80 3lfy n SER 97 Cb 1.17 -0.83 0.06 0.00 -0.75 0.00 0.00 64.21 63.87 3lfy n SER 97 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3lfy n ARG 98 N -2.29 1.35 -0.56 -1.46 3.00 -1.26 -4.08 116.66 111.35 3lfy n ARG 98 Ca 0.02 -1.08 0.09 0.00 -0.01 0.00 0.00 57.85 56.87 3lfy n ARG 98 Cb 0.25 -1.48 0.34 0.00 0.00 0.00 0.00 32.46 31.56 3lfy n ARG 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3lfy n GLU 99 N 0.12 3.47 0.00 5.56 1.02 -1.05 -4.31 120.64 125.45 3lfy n GLU 99 Ca 0.10 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 3lfy n GLU 99 Cb 0.47 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.12 0.81 0.00 3.49 5.02 -1.26 -5.14 118.16 122.19 3lfy n LYS 100 Ca 0.24 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 3lfy n LYS 100 Cb 0.82 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 3lfy n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lfy n GLY 101 N -0.16 -1.96 3.59 0.72 0.00 -1.26 -4.94 105.19 101.18 3lfy n GLY 101 Ca 0.00 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 3lfy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lfy n PRO 102 N 0.00 -0.34 -2.69 1.61 -0.02 -1.26 -4.89 135.00 127.41 3lfy n PRO 102 Ca 0.00 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 3lfy n PRO 102 Cb 0.00 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 3lfy n PRO 102 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3lfy s TYR 103 N -2.50 3.61 0.39 6.00 1.51 -1.26 -4.89 117.35 120.21 3lfy s TYR 103 Ca 0.64 1.65 0.13 0.00 -1.01 0.00 0.00 57.07 58.49 3lfy s TYR 103 Cb -0.23 -3.15 0.96 0.00 -0.11 0.00 0.00 41.96 39.42 3lfy s TYR 103 CO 0.60 -0.14 1.87 0.00 -1.11 0.00 0.00 175.55 176.77 3lfy h ALA 104 N 6.88 2.02 -2.79 3.71 0.00 -1.06 -3.44 119.26 124.56 3lfy h ALA 104 Ca -0.39 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3lfy h ALA 104 Cb 1.20 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 3lfy h ALA 104 CO 0.78 -0.27 -0.11 0.00 0.00 0.00 0.00 179.25 179.65 3lfy s ALA 105 N -5.54 -0.48 0.02 0.00 0.00 -1.01 -5.01 121.76 109.74 3lfy s ALA 105 Ca -0.09 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 3lfy s ALA 105 Cb 0.22 0.91 0.03 0.00 0.00 0.00 0.00 23.12 24.28 3lfy s ALA 105 CO 0.78 -0.78 0.39 0.21 0.00 0.00 0.00 175.76 176.36 3lfy s LYS 106 N -3.94 0.85 0.54 0.00 2.20 -1.26 -0.66 119.74 117.47 3lfy s LYS 106 Ca 0.15 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.51 3lfy s LYS 106 Cb 0.00 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.73 3lfy s LYS 106 CO 0.01 -0.27 0.35 0.95 -0.36 0.00 0.00 175.35 176.03 3lfy s THR 107 N -2.11 1.59 -0.67 3.43 -4.23 -0.79 -4.98 115.64 107.87 3lfy s THR 107 Ca -0.08 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 3lfy s THR 107 Cb -0.02 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.73 3lfy s THR 107 CO 0.00 0.00 0.75 0.47 -0.54 0.00 0.00 174.62 175.30 3lfy n ASP 108 N -1.69 1.63 0.00 3.99 8.00 0.01 -4.49 116.55 124.00 3lfy n ASP 108 Ca -0.04 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.10 3lfy n ASP 108 Cb 0.65 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.27 -0.90 2.90 0.44 0.00 -1.05 -4.94 105.19 101.91 3lfy n GLY 109 Ca 0.04 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3lfy n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lfy s VAL 110 N -2.00 -0.01 0.06 1.61 1.01 -1.26 -0.64 120.40 119.16 3lfy s VAL 110 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3lfy s VAL 110 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 3lfy s VAL 110 CO 0.00 0.02 -0.13 -0.13 0.00 0.00 0.00 175.10 174.85 3lfy s ARG 111 N 0.27 0.82 -0.28 2.72 0.52 -0.57 -4.95 118.95 117.49 3lfy s ARG 111 Ca -0.02 -0.86 -0.09 0.00 -0.52 0.00 0.00 55.73 54.24 3lfy s ARG 111 Cb -0.03 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.60 3lfy s ARG 111 CO -0.01 0.19 0.12 -1.14 0.02 0.00 0.00 175.30 174.48 3lfy s GLN 112 N -1.51 3.60 0.94 3.54 0.74 -1.26 -1.61 119.66 124.09 3lfy s GLN 112 Ca -0.01 -0.53 -0.10 0.00 0.05 0.00 0.00 55.36 54.76 3lfy s GLN 112 Cb -0.09 -3.47 0.15 0.00 1.10 0.00 0.00 33.01 30.70 3lfy s GLN 112 CO 0.02 -0.27 1.12 1.33 -0.55 0.00 0.00 175.29 176.94 3lfy n VAL 113 N 4.97 0.00 -1.90 1.34 0.24 0.02 -4.84 118.33 118.16 3lfy n VAL 113 Ca -0.15 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 3lfy n VAL 113 Cb 0.51 -0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 31.86 3lfy n VAL 113 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3lfy s GLN 114 N -4.60 4.07 0.52 7.34 1.11 -1.26 -4.68 119.66 122.16 3lfy s GLN 114 Ca 0.67 2.24 -0.21 0.00 0.01 0.00 0.00 55.36 58.08 3lfy s GLN 114 Cb -0.23 -4.06 -0.06 0.00 -1.01 0.00 0.00 33.01 27.65 3lfy s GLN 114 CO 0.59 -1.00 1.16 -1.25 0.01 0.00 0.00 175.29 174.80 3lfy s PRO 115 N 4.36 3.43 -1.02 2.91 0.04 -1.26 -3.69 135.00 139.77 3lfy s PRO 115 Ca 0.79 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 63.49 3lfy s PRO 115 Cb -0.35 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.05 3lfy s PRO 115 CO 0.33 -0.81 0.88 0.66 0.04 0.00 0.00 177.00 178.11 3lfy n TYR 116 N -1.05 -2.14 -3.34 0.56 4.01 0.15 -4.99 117.16 110.37 3lfy n TYR 116 Ca 0.10 0.77 -0.12 0.00 -0.16 0.00 0.00 57.90 58.49 3lfy n TYR 116 Cb 0.49 -4.09 -0.08 0.00 -0.31 0.00 0.00 39.34 35.36 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 -3.33 0.84 0.22 7.72 3.84 -1.24 -4.90 114.94 118.09 3lfy s ASN 117 Ca 0.40 -0.46 -0.08 0.00 0.21 0.00 0.00 52.86 52.93 3lfy s ASN 117 Cb -0.18 0.88 0.28 0.00 -0.55 0.00 0.00 41.25 41.69 3lfy s ASN 117 CO 0.55 -0.36 1.80 -0.08 -2.79 0.00 0.00 177.10 176.22 3lfy h GLU 118 N 8.20 0.64 0.23 0.43 4.81 -1.89 -2.15 114.58 124.85 3lfy h GLU 118 Ca -0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3lfy h GLU 118 Cb 1.11 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3lfy h GLU 118 CO 0.29 0.42 -0.12 0.78 -0.73 0.00 0.00 179.01 179.66 3lfy h GLY 119 N 0.66 -0.33 0.21 1.92 0.00 -1.96 0.12 103.07 103.68 3lfy h GLY 119 Ca 0.32 0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.87 3lfy h GLY 119 CO -0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 176.54 176.18 3lfy h ALA 120 N 0.45 0.41 -0.05 3.60 0.00 -1.85 0.90 119.26 122.73 3lfy h ALA 120 Ca -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lfy h ALA 120 Cb 0.25 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3lfy h ALA 120 CO 0.05 -0.40 0.03 1.25 0.00 0.00 0.00 179.25 180.17 3lfy h LEU 121 N 0.09 0.06 -0.88 0.00 5.85 -1.16 -1.42 115.31 117.84 3lfy h LEU 121 Ca 0.23 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3lfy h LEU 121 Cb 0.34 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3lfy h LEU 121 CO -0.40 0.08 0.55 -0.07 -0.34 0.00 0.00 178.44 178.26 3lfy h LEU 122 N 0.02 0.88 -0.01 2.25 3.38 0.29 -0.53 115.31 121.60 3lfy h LEU 122 Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3lfy h LEU 122 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3lfy h LEU 122 CO -0.00 0.57 -0.05 0.22 0.09 0.00 0.00 178.44 179.27 3lfy h TYR 123 N 1.02 -0.13 -0.36 1.13 3.20 0.12 -1.60 116.97 120.35 3lfy h TYR 123 Ca 0.38 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.28 3lfy h TYR 123 Cb 0.15 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3lfy h TYR 123 CO -0.03 -0.08 0.18 0.77 -1.64 0.00 0.00 178.16 177.36 3lfy h SER 124 N -0.09 0.25 -0.88 -2.11 0.02 -0.57 -2.10 113.55 108.08 3lfy h SER 124 Ca 0.02 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3lfy h SER 124 Cb 0.12 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 3lfy h SER 124 CO -0.06 0.19 0.57 0.40 -1.14 0.00 0.00 176.83 176.79 3lfy h ILE 125 N 0.36 1.06 -0.04 3.27 2.04 -0.92 0.15 117.51 123.45 3lfy h ILE 125 Ca 0.15 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3lfy h ILE 125 Cb 0.07 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3lfy h ILE 125 CO -0.11 0.18 0.05 0.00 0.00 0.00 0.00 178.15 178.27 3lfy h ALA 126 N 1.52 1.54 0.01 1.87 0.00 -0.58 -2.40 119.26 121.22 3lfy h ALA 126 Ca 0.38 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.94 3lfy h ALA 126 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3lfy h ALA 126 CO -0.14 -0.07 -2.07 0.09 0.00 0.00 0.00 179.25 177.06 3lfy n ASN 127 N -3.77 0.82 -3.54 0.00 3.02 0.39 -5.04 115.26 107.14 3lfy n ASN 127 Ca -0.02 0.18 -0.07 0.00 -0.03 0.00 0.00 54.58 54.64 3lfy n ASN 127 Cb 0.13 0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 3lfy n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lfy s GLN 128 N -2.55 0.64 0.24 3.52 -2.07 -0.31 -5.08 119.66 114.05 3lfy s GLN 128 Ca -0.12 -0.20 -0.31 0.00 -1.82 0.00 0.00 55.36 52.91 3lfy s GLN 128 Cb 0.07 0.29 -0.11 0.00 -1.09 0.00 0.00 33.01 32.17 3lfy s GLN 128 CO 0.80 -0.27 1.65 -2.14 -1.32 0.00 0.00 175.29 174.01 3lfy s PRO 129 N -2.69 4.14 0.07 9.60 0.02 -1.26 -3.88 135.00 140.99 3lfy s PRO 129 Ca 0.06 2.56 0.07 0.00 0.02 0.00 0.00 61.00 63.71 3lfy s PRO 129 Cb -0.01 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.41 3lfy s PRO 129 CO -0.07 -0.68 -0.14 0.08 -0.33 0.00 0.00 177.00 175.86 3lfy s VAL 130 N 0.71 3.09 0.10 3.83 1.01 0.09 -4.63 120.40 124.60 3lfy s VAL 130 Ca 0.70 -1.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3lfy s VAL 130 Cb -0.48 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 3lfy s VAL 130 CO 0.38 0.24 0.73 -0.55 0.00 0.00 0.00 175.10 175.90 3lfy s SER 131 N -1.78 7.25 0.12 3.32 0.15 0.52 0.70 113.70 123.99 3lfy s SER 131 Ca 0.17 1.49 -0.09 0.00 0.70 0.00 0.00 55.95 58.22 3lfy s SER 131 Cb -0.11 -2.46 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3lfy s SER 131 CO 0.09 0.15 0.24 0.68 1.20 0.00 0.00 173.24 175.59 3lfy s VAL 132 N -0.71 0.10 0.16 4.45 -7.23 -0.31 -1.26 120.40 115.61 3lfy s VAL 132 Ca 0.35 -1.27 0.09 0.00 -1.81 0.00 0.00 61.98 59.34 3lfy s VAL 132 Cb -0.21 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3lfy s VAL 132 CO 0.23 -0.48 -0.19 0.68 -0.31 0.00 0.00 175.10 175.03 3lfy s VAL 133 N -3.91 1.86 0.36 1.32 -7.23 -1.23 0.25 120.40 111.82 3lfy s VAL 133 Ca 0.11 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 3lfy s VAL 133 Cb 0.04 -1.82 0.04 0.00 0.56 0.00 0.00 36.38 35.19 3lfy s VAL 133 CO -0.06 -0.24 0.69 -1.48 -0.31 0.00 0.00 175.10 173.70 3lfy s LEU 134 N -2.52 0.26 -0.34 1.32 0.05 0.76 -3.76 118.68 114.44 3lfy s LEU 134 Ca 0.15 -1.18 -0.20 0.00 0.05 0.00 0.00 54.13 52.94 3lfy s LEU 134 Cb -0.07 2.43 -0.00 0.00 -2.05 0.00 0.00 46.19 46.51 3lfy s LEU 134 CO 0.06 -1.54 0.64 -0.70 -0.55 0.00 0.00 176.35 174.27 3lfy s GLU 135 N -2.72 3.73 -0.01 1.48 2.12 0.08 -0.36 118.70 123.01 3lfy s GLU 135 Ca 0.19 0.11 0.13 0.00 0.36 0.00 0.00 54.97 55.77 3lfy s GLU 135 Cb -0.04 -3.79 -0.19 0.00 0.26 0.00 0.00 34.13 30.37 3lfy s GLU 135 CO 0.13 -0.70 0.36 0.00 -0.54 0.00 0.00 175.26 174.51 3lfy n ALA 136 N 6.01 2.80 -1.45 6.30 0.00 -1.26 -4.76 120.51 128.15 3lfy n ALA 136 Ca -0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 3lfy n ALA 136 Cb 0.49 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 3lfy n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lfy n ALA 137 N -1.80 3.85 -3.59 0.00 0.00 -1.26 -4.16 120.51 113.54 3lfy n ALA 137 Ca -0.01 -3.48 -0.11 0.00 0.00 0.00 0.00 53.44 49.84 3lfy n ALA 137 Cb 0.31 -3.60 -0.09 0.00 0.00 0.00 0.00 19.45 16.08 3lfy n ALA 137 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3lfy s GLY 138 N 4.56 -0.47 0.26 0.00 0.00 -1.26 -5.03 107.32 105.38 3lfy s GLY 138 Ca 0.55 1.86 -0.02 0.00 0.00 0.00 0.00 44.72 47.11 3lfy s GLY 138 CO 0.06 1.81 1.75 1.70 0.00 0.00 0.00 173.10 178.41 3lfy h LYS 139 N 6.33 0.54 -0.01 2.90 3.64 -1.95 0.36 116.57 128.39 3lfy h LYS 139 Ca -0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3lfy h LYS 139 Cb 1.19 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3lfy h LYS 139 CO 0.19 0.36 -0.00 -0.44 -2.27 0.00 0.00 179.45 177.29 3lfy h ASP 140 N 0.56 -0.01 -0.27 4.20 3.32 -1.93 0.37 116.42 122.65 3lfy h ASP 140 Ca 0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.44 3lfy h ASP 140 Cb 0.66 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3lfy h ASP 140 CO -0.38 -0.00 -0.11 0.15 -1.72 0.00 0.00 179.24 177.18 3lfy h PHE 141 N -0.00 0.64 -0.26 4.55 3.57 -1.68 -2.76 116.94 121.00 3lfy h PHE 141 Ca 0.00 -0.15 0.06 0.00 3.53 0.00 0.00 57.97 61.41 3lfy h PHE 141 Cb 0.01 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 3lfy h PHE 141 CO -0.09 0.79 -0.16 1.96 -2.23 0.00 0.00 178.31 178.59 3lfy h GLN 142 N 0.30 -0.13 -0.52 1.11 1.08 -0.13 -2.74 115.11 114.08 3lfy h GLN 142 Ca 0.06 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3lfy h GLN 142 Cb 0.61 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3lfy h GLN 142 CO 0.04 -0.09 0.00 1.28 -0.95 0.00 0.00 178.83 179.11 3lfy n LEU 143 N -5.32 2.49 -4.68 1.46 4.77 0.11 -4.94 117.00 110.89 3lfy n LEU 143 Ca -0.01 -1.25 -0.47 0.00 -0.03 0.00 0.00 56.01 54.25 3lfy n LEU 143 Cb 0.23 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3lfy n LEU 143 CO 0.18 0.48 1.43 0.00 -1.33 0.00 0.00 177.39 178.14 3lfy n TYR 144 N 0.50 2.36 -0.12 -1.77 4.19 -1.04 -4.91 117.16 116.37 3lfy n TYR 144 Ca 0.13 0.02 -0.17 0.00 3.31 0.00 0.00 57.90 61.18 3lfy n TYR 144 Cb 0.46 -2.65 -0.12 0.00 0.49 0.00 0.00 39.34 37.51 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 5.83 0.66 0.00 2.98 3.00 -1.26 -2.24 116.66 125.63 3lfy n ARG 145 Ca 0.21 0.14 0.00 0.00 -0.01 0.00 0.00 57.85 58.19 3lfy n ARG 145 Cb 0.31 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.24 3lfy n ARG 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3lfy n GLY 146 N 2.20 -0.68 0.00 -0.13 0.00 -1.26 -3.64 105.19 101.68 3lfy n GLY 146 Ca -0.44 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.23 -1.61 3.61 -0.02 0.00 -1.26 -4.78 105.19 100.90 3lfy n GLY 147 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.03 3.68 -0.01 -0.61 1.01 -1.26 -4.42 121.20 117.55 3lfy s ILE 148 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3lfy s ILE 148 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 3lfy s ILE 148 CO 0.00 -0.50 1.32 0.12 0.00 0.00 0.00 174.94 175.88 3lfy s PHE 149 N 5.99 3.02 -0.15 3.97 5.36 0.65 -4.77 117.98 132.05 3lfy s PHE 149 Ca 0.71 0.99 0.04 0.00 -0.96 0.00 0.00 56.93 57.71 3lfy s PHE 149 Cb -0.20 -3.57 -0.05 0.00 -0.34 0.00 0.00 43.02 38.87 3lfy s PHE 149 CO 0.32 -1.99 0.15 1.33 -1.46 0.00 0.00 175.22 173.58 3lfy n VAL 150 N 4.57 0.00 0.00 3.12 0.24 -1.26 -0.55 118.33 124.45 3lfy n VAL 150 Ca 0.12 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3lfy n VAL 150 Cb 0.45 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 3lfy n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lfy n GLY 151 N 1.33 0.22 3.61 7.63 0.00 -1.26 -4.54 105.19 112.18 3lfy n GLY 151 Ca 0.00 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 3lfy n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lfy n PRO 152 N 0.00 1.07 -3.91 1.61 -0.02 -1.26 -4.94 135.00 127.55 3lfy n PRO 152 Ca 0.00 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 3lfy n PRO 152 Cb 0.00 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 3lfy n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lfy s GLY 154 N -2.08 2.55 -0.35 0.00 0.00 -1.26 -4.74 107.32 101.44 3lfy s GLY 154 Ca -0.05 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 42.94 3lfy s GLY 154 CO -0.04 -2.05 1.76 1.16 0.00 0.00 0.00 173.10 173.92 3lfy n ASN 155 N -1.16 4.01 -3.48 1.64 0.23 -1.26 -3.67 115.26 111.57 3lfy n ASN 155 Ca -0.06 -3.43 -0.40 0.00 -0.53 0.00 0.00 54.58 50.15 3lfy n ASN 155 Cb 0.66 -0.74 -0.00 0.00 -2.08 0.00 0.00 39.78 37.61 3lfy n ASN 155 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3lfy n LYS 156 N -0.68 4.63 -1.60 -3.83 4.81 -1.26 -4.80 118.16 115.43 3lfy n LYS 156 Ca 0.45 -3.50 -0.55 0.00 -0.87 0.00 0.00 58.31 53.84 3lfy n LYS 156 Cb 1.39 -2.62 -0.07 0.00 0.02 0.00 0.00 35.03 33.75 3lfy n LYS 156 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3lfy n VAL 157 N 1.66 0.05 -2.01 3.15 0.24 -1.26 -4.52 118.33 115.63 3lfy n VAL 157 Ca 0.62 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.91 3lfy n VAL 157 Cb 0.25 -0.73 -0.00 0.00 -1.47 0.00 0.00 33.84 31.89 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 2.82 0.00 -3.74 -1.34 5.68 0.52 -4.87 116.55 115.62 3lfy n ASP 158 Ca 0.20 -1.53 -0.12 0.00 -0.50 0.00 0.00 54.79 52.84 3lfy n ASP 158 Cb 0.15 -0.10 -0.12 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.38 -0.26 2.11 5.04 -0.45 -4.81 115.29 116.54 3lfy s HIS 159 Ca 0.00 0.89 -0.07 0.00 -1.54 0.00 0.00 55.06 54.34 3lfy s HIS 159 Cb 0.00 0.12 -0.02 0.00 0.04 0.00 0.00 32.58 32.73 3lfy s HIS 159 CO -0.00 -0.22 0.06 0.00 -2.34 0.00 0.00 174.74 172.23 3lfy s ALA 160 N 0.83 3.08 0.11 1.58 0.00 -1.26 -0.17 121.76 125.94 3lfy s ALA 160 Ca -0.05 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3lfy s ALA 160 Cb -0.07 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 3lfy s ALA 160 CO -0.06 -0.60 0.03 1.33 0.00 0.00 0.00 175.76 176.46 3lfy n VAL 161 N 4.89 0.00 -4.98 0.00 0.24 0.14 -4.36 118.33 114.26 3lfy n VAL 161 Ca -0.16 -0.61 -0.30 0.00 -2.04 0.00 0.00 64.34 61.23 3lfy n VAL 161 Cb 0.50 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.27 1.87 -0.45 2.33 0.00 -1.01 -1.16 121.76 121.07 3lfy s ALA 162 Ca 0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 3lfy s ALA 162 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.41 3lfy s ALA 162 CO 0.03 0.22 0.66 0.00 0.00 0.00 0.00 175.76 176.66 3lfy s ALA 163 N 0.47 3.34 -0.23 0.00 0.00 0.22 0.12 121.76 125.68 3lfy s ALA 163 Ca -0.17 -1.23 0.13 0.00 0.00 0.00 0.00 51.96 50.69 3lfy s ALA 163 Cb -0.17 -3.33 0.50 0.00 0.00 0.00 0.00 23.12 20.12 3lfy s ALA 163 CO 0.07 -1.83 1.42 1.33 0.00 0.00 0.00 175.76 176.75 3lfy n VAL 164 N 5.87 2.39 -1.30 0.00 0.24 -0.62 -0.73 118.33 124.19 3lfy n VAL 164 Ca -0.01 -2.36 0.00 0.00 -2.04 0.00 0.00 64.34 59.93 3lfy n VAL 164 Cb 0.48 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.90 -1.67 3.64 7.63 0.00 -1.20 -0.67 105.19 112.01 3lfy n GLY 165 Ca 0.27 -1.42 -0.05 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.21 -0.20 0.27 1.61 -0.85 0.70 -0.39 117.35 116.28 3lfy s TYR 166 Ca 0.00 -0.01 0.05 0.00 -0.52 0.00 0.00 57.07 56.58 3lfy s TYR 166 Cb 0.00 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 3lfy s TYR 166 CO 0.00 -0.64 0.17 0.41 -1.52 0.00 0.00 175.55 173.97 3lfy n GLY 167 N -0.37 3.31 0.20 5.49 0.00 -0.27 -1.16 105.19 112.38 3lfy n GLY 167 Ca -0.07 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 1.61 0.13 -1.97 -3.14 132.00 128.63 3lfy h PRO 168 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3lfy h PRO 168 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3lfy h PRO 168 CO 0.31 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.17 3lfy n ASN 169 N -2.55 0.80 -2.20 1.44 3.02 -1.26 -4.92 115.26 109.59 3lfy n ASN 169 Ca -0.00 -1.10 -0.08 0.00 -0.03 0.00 0.00 54.58 53.38 3lfy n ASN 169 Cb 0.16 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3lfy n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lfy n TYR 170 N -0.05 -1.40 -3.83 3.10 4.11 -1.19 -1.08 117.16 116.82 3lfy n TYR 170 Ca 0.00 -1.36 -0.22 0.00 -0.00 0.00 0.00 57.90 56.32 3lfy n TYR 170 Cb 0.11 0.45 -0.17 0.00 -0.00 0.00 0.00 39.34 39.72 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 -2.58 0.41 -0.06 -3.48 1.01 -0.05 -1.11 121.20 115.34 3lfy s ILE 171 Ca 0.15 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 3lfy s ILE 171 Cb -0.02 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 3lfy s ILE 171 CO 0.11 0.26 1.18 -0.22 0.00 0.00 0.00 174.94 176.27 3lfy s LEU 172 N 1.79 4.27 -0.06 2.97 2.96 0.47 -2.51 118.68 128.58 3lfy s LEU 172 Ca 0.02 1.79 0.03 0.00 -0.22 0.00 0.00 54.13 55.76 3lfy s LEU 172 Cb -0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3lfy s LEU 172 CO -0.05 -0.57 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.62 3lfy s ILE 173 N 2.20 1.45 -0.37 6.68 1.01 -0.04 -1.58 121.20 130.54 3lfy s ILE 173 Ca 0.55 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 3lfy s ILE 173 Cb -0.24 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3lfy s ILE 173 CO 0.21 0.42 0.33 -0.75 0.00 0.00 0.00 174.94 175.15 3lfy s LYS 174 N 0.34 3.31 0.66 2.79 2.20 0.33 -1.33 119.74 128.05 3lfy s LYS 174 Ca -0.11 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 54.78 3lfy s LYS 174 Cb -0.14 -3.88 0.06 0.00 -1.51 0.00 0.00 37.83 32.36 3lfy s LYS 174 CO 0.04 -0.62 0.93 1.21 -0.36 0.00 0.00 175.35 176.55 3lfy s ASN 175 N 1.73 4.88 -0.25 1.43 3.84 -0.94 -2.41 114.94 123.23 3lfy s ASN 175 Ca 0.09 0.19 0.09 0.00 0.21 0.00 0.00 52.86 53.44 3lfy s ASN 175 Cb -0.17 -0.88 0.45 0.00 -0.55 0.00 0.00 41.25 40.09 3lfy s ASN 175 CO 0.11 -1.49 1.28 -1.54 -2.79 0.00 0.00 177.10 172.67 3lfy n SER 176 N -2.72 2.65 -2.17 -4.21 3.41 -1.26 -4.58 113.62 104.74 3lfy n SER 176 Ca 0.09 -3.85 -0.29 0.00 -0.26 0.00 0.00 58.87 54.56 3lfy n SER 176 Cb 0.60 -0.52 0.09 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.03 2.96 -0.57 7.33 8.01 -1.21 -1.07 117.44 131.86 3lfy n TRP 177 Ca 0.28 -2.60 0.07 0.00 -1.31 0.00 0.00 57.50 53.94 3lfy n TRP 177 Cb 0.82 -1.11 -0.03 0.00 -2.01 0.00 0.00 31.31 28.97 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 -0.94 -2.61 0.00 6.99 0.00 -0.79 -4.10 105.19 103.74 3lfy n GLY 178 Ca 0.57 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 45.40 3lfy n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lfy n THR 179 N -3.06 0.21 0.22 2.61 -2.24 -1.26 -3.09 114.28 107.67 3lfy n THR 179 Ca -0.03 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3lfy n THR 179 Cb 0.27 -0.64 0.24 0.00 -2.10 0.00 0.00 70.33 68.10 3lfy n THR 179 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3lfy h GLY 180 N 4.14 0.00 -3.39 3.38 0.00 -1.89 -3.10 103.07 102.22 3lfy h GLY 180 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3lfy h GLY 180 CO 0.00 0.00 0.02 0.86 0.00 0.00 0.00 176.54 177.42 3lfy s TRP 181 N -3.26 3.47 0.00 5.60 -0.00 -1.18 -4.84 118.94 118.73 3lfy s TRP 181 Ca 0.06 1.14 0.00 0.00 -0.00 0.00 0.00 56.10 57.29 3lfy s TRP 181 Cb 0.06 -2.45 0.00 0.00 -0.00 0.00 0.00 33.47 31.08 3lfy s TRP 181 CO 0.66 0.23 0.00 0.41 -0.00 0.00 0.00 176.95 178.25 3lfy n GLY 182 N 0.06 1.81 3.49 5.86 0.00 -0.95 0.63 105.19 116.09 3lfy n GLY 182 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.46 1.61 2.02 0.23 -4.35 118.70 120.68 3lfy s GLU 183 Ca 0.00 -2.16 -0.12 0.00 0.02 0.00 0.00 54.97 52.71 3lfy s GLU 183 Cb 0.00 -5.16 0.05 0.00 0.10 0.00 0.00 34.13 29.12 3lfy s GLU 183 CO 0.00 -1.91 1.04 0.09 0.02 0.00 0.00 175.26 174.50 3lfy n ASN 184 N 6.71 -5.51 0.00 -0.19 4.13 -1.22 -1.33 115.26 117.85 3lfy n ASN 184 Ca 0.36 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.97 3lfy n ASN 184 Cb 0.45 -4.37 0.00 0.00 -1.54 0.00 0.00 39.78 34.33 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 -1.80 0.61 3.73 7.41 0.00 0.20 -4.62 105.19 110.73 3lfy n GLY 185 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.24 2.94 -0.05 1.61 2.02 -0.44 -2.21 117.35 118.97 3lfy s TYR 186 Ca 0.00 -0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.53 3lfy s TYR 186 Cb 0.00 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 3lfy s TYR 186 CO 0.00 0.55 0.14 -1.50 -1.57 0.00 0.00 175.55 173.16 3lfy s ILE 187 N -2.01 -0.01 -0.44 2.71 2.07 -0.44 0.74 121.20 123.82 3lfy s ILE 187 Ca 0.31 0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.51 3lfy s ILE 187 Cb -0.08 -0.20 0.11 0.00 0.13 0.00 0.00 42.46 42.42 3lfy s ILE 187 CO 0.22 0.01 0.28 -0.13 -1.91 0.00 0.00 174.94 173.41 3lfy s ARG 188 N 0.27 2.31 0.22 3.50 0.52 -1.26 -0.86 118.95 123.65 3lfy s ARG 188 Ca -0.02 -1.76 -0.18 0.00 -0.52 0.00 0.00 55.73 53.26 3lfy s ARG 188 Cb -0.03 -3.78 -0.08 0.00 0.52 0.00 0.00 34.95 31.58 3lfy s ARG 188 CO -0.01 -1.13 0.68 0.42 0.02 0.00 0.00 175.30 175.28 3lfy s ILE 189 N 1.28 4.66 0.46 1.52 1.01 -1.04 -0.25 121.20 128.83 3lfy s ILE 189 Ca 0.06 1.12 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 3lfy s ILE 189 Cb -0.25 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 3lfy s ILE 189 CO -0.02 0.17 1.14 -0.75 0.00 0.00 0.00 174.94 175.48 3lfy s LYS 190 N -2.10 3.77 0.22 2.79 2.20 0.29 -0.87 119.74 126.04 3lfy s LYS 190 Ca 0.43 1.71 0.05 0.00 -0.36 0.00 0.00 55.97 57.80 3lfy s LYS 190 Cb -0.15 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 3lfy s LYS 190 CO 0.20 -0.52 -0.06 -0.98 -0.36 0.00 0.00 175.35 173.62 3lfy s ARG 191 N -2.75 1.33 -0.29 4.03 1.70 -0.24 -4.52 118.95 118.20 3lfy s ARG 191 Ca 0.64 -1.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.25 3lfy s ARG 191 Cb -0.27 -0.84 -0.01 0.00 -0.57 0.00 0.00 34.95 33.26 3lfy s ARG 191 CO 0.32 0.02 0.25 0.41 -1.08 0.00 0.00 175.30 175.23 3lfy n GLY 192 N -0.40 0.33 0.00 3.88 0.00 -1.26 -4.69 105.19 103.04 3lfy n GLY 192 Ca -0.07 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.86 3lfy n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lfy n THR 193 N -1.92 0.00 0.00 2.61 -2.24 -1.26 -5.00 114.28 106.47 3lfy n THR 193 Ca -0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3lfy n THR 193 Cb 0.54 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3lfy n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lfy n GLY 194 N 1.50 2.79 3.67 3.38 0.00 -1.26 -5.03 105.19 110.24 3lfy n GLY 194 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.25 6.95 0.12 1.61 3.84 -1.26 -4.94 114.94 120.01 3lfy s ASN 195 Ca 0.00 1.79 -0.26 0.00 0.21 0.00 0.00 52.86 54.60 3lfy s ASN 195 Cb 0.00 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.09 3lfy s ASN 195 CO 0.00 -0.72 1.63 0.28 -2.79 0.00 0.00 177.10 175.50 3lfy h SER 196 N 8.07 -0.79 -0.86 -4.21 0.02 -1.96 -1.48 113.55 112.34 3lfy h SER 196 Ca -0.30 0.10 0.24 0.00 -0.84 0.00 0.00 61.79 60.99 3lfy h SER 196 Cb 1.13 0.31 -0.04 0.00 0.14 0.00 0.00 62.40 63.94 3lfy h SER 196 CO 0.94 -0.34 0.60 1.88 -1.14 0.00 0.00 176.83 178.77 3lfy h TYR 197 N -0.43 0.12 -0.10 3.45 0.05 -1.92 -3.40 116.97 114.74 3lfy h TYR 197 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3lfy h TYR 197 Cb 0.50 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3lfy h TYR 197 CO -0.28 0.03 -0.03 0.41 -1.05 0.00 0.00 178.16 177.24 3lfy n GLY 198 N -1.66 -2.87 3.72 3.88 0.00 -0.56 -1.07 105.19 106.63 3lfy n GLY 198 Ca 0.18 -1.26 -0.59 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.41 0.25 -1.17 1.61 0.31 -1.26 0.67 118.33 117.33 3lfy n VAL 199 Ca 0.00 -0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.23 3lfy n VAL 199 Cb 0.01 -1.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 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 -1.85 0.89 0.15 0.00 0.00 0.21 -0.74 105.19 103.85 3lfy n GLY 201 Ca -0.06 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.78 0.39 -1.15 0.99 7.94 -0.99 -1.40 117.00 122.01 3lfy n LEU 202 Ca -0.07 0.62 0.08 0.00 -1.11 0.00 0.00 56.01 55.53 3lfy n LEU 202 Cb 0.23 -0.61 0.29 0.00 0.53 0.00 0.00 43.42 43.85 3lfy n LEU 202 CO 0.10 -0.75 0.75 -1.22 -1.11 0.00 0.00 177.39 175.16 3lfy n TYR 203 N -2.07 1.17 -0.04 1.96 0.53 -0.23 -4.56 117.16 113.93 3lfy n TYR 203 Ca -0.01 -0.75 -0.13 0.00 -1.02 0.00 0.00 57.90 55.99 3lfy n TYR 203 Cb 0.20 -0.30 -0.11 0.00 -1.03 0.00 0.00 39.34 38.10 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 2.60 1.46 -2.32 -0.72 2.02 -1.40 0.44 112.91 115.00 3lfy h THR 204 Ca 0.00 -1.78 -0.38 0.00 0.77 0.00 0.00 66.41 65.03 3lfy h THR 204 Cb 1.44 2.61 -0.35 0.00 -1.74 0.00 0.00 68.15 70.12 3lfy h THR 204 CO 0.24 0.44 -0.67 -0.55 0.37 0.00 0.00 175.52 175.35 3lfy s SER 205 N -5.94 2.10 -0.13 4.18 0.15 -1.26 -4.69 113.70 108.11 3lfy s SER 205 Ca -0.16 -0.85 0.01 0.00 0.70 0.00 0.00 55.95 55.65 3lfy s SER 205 Cb -0.01 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3lfy s SER 205 CO 0.62 -0.40 -0.17 -0.44 1.20 0.00 0.00 173.24 174.05 3lfy s SER 206 N 2.30 3.57 0.13 5.45 0.01 -1.26 -3.47 113.70 120.44 3lfy s SER 206 Ca 0.09 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 56.93 3lfy s SER 206 Cb -0.14 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 3lfy s SER 206 CO -0.33 0.12 -0.11 -0.36 0.41 0.00 0.00 173.24 172.97 3lfy s PHE 207 N 0.59 1.28 -0.04 2.43 0.40 -0.39 -0.80 117.98 121.46 3lfy s PHE 207 Ca -0.10 -0.68 -0.18 0.00 -0.60 0.00 0.00 56.93 55.38 3lfy s PHE 207 Cb -0.16 -0.66 0.03 0.00 0.51 0.00 0.00 43.02 42.74 3lfy s PHE 207 CO 0.03 0.10 0.39 1.52 0.70 0.00 0.00 175.22 177.96 3lfy s TYR 208 N -2.83 -0.31 0.54 0.36 1.13 -0.63 -0.35 117.35 115.26 3lfy s TYR 208 Ca 0.13 0.53 -0.16 0.00 -1.41 0.00 0.00 57.07 56.16 3lfy s TYR 208 Cb -0.01 0.16 -0.07 0.00 -1.10 0.00 0.00 41.96 40.95 3lfy s TYR 208 CO 0.01 -0.41 1.00 -1.25 -2.51 0.00 0.00 175.55 172.40 3lfy s PRO 209 N -1.12 3.78 -0.30 -3.49 0.04 -1.26 -1.51 135.00 131.13 3lfy s PRO 209 Ca -0.12 1.00 0.01 0.00 0.04 0.00 0.00 61.00 61.94 3lfy s PRO 209 Cb -0.04 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.46 3lfy s PRO 209 CO 0.05 -0.42 -0.01 0.08 0.04 0.00 0.00 177.00 176.74 3lfy s VAL 210 N -2.62 2.56 -0.05 -0.36 1.01 0.18 -4.87 120.40 116.25 3lfy s VAL 210 Ca 0.60 -1.75 0.04 0.00 0.00 0.00 0.00 61.98 60.87 3lfy s VAL 210 Cb -0.11 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3lfy s VAL 210 CO 0.34 -0.24 -0.17 -0.75 0.00 0.00 0.00 175.10 174.28 3lfy s LYS 211 N 1.11 2.52 0.00 2.72 2.47 -1.26 -0.81 119.74 126.48 3lfy s LYS 211 Ca -0.02 -0.75 0.28 0.00 -1.56 0.00 0.00 55.97 53.92 3lfy s LYS 211 Cb -0.20 -2.33 1.03 0.00 -1.46 0.00 0.00 37.83 34.88 3lfy s LYS 211 CO -0.04 0.56 1.74 0.09 0.16 0.00 0.00 175.35 177.85