#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfy n HIS 2 N 0.00 0.00 -2.04 6.34 -0.00 -1.26 -4.71 115.22 113.55 1lfy n HIS 2 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1lfy n HIS 2 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 1lfy n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lfy n LEU 3 N -0.66 -4.66 -4.35 0.27 4.77 -1.26 -4.97 117.00 106.14 1lfy n LEU 3 Ca 0.00 0.60 -0.36 0.00 -0.03 0.00 0.00 56.01 56.22 1lfy n LEU 3 Cb 0.00 -2.04 0.06 0.00 -2.33 0.00 0.00 43.42 39.11 1lfy n LEU 3 CO 0.00 -1.39 -0.28 0.35 -1.33 0.00 0.00 177.39 174.74 1lfy n THR 4 N 0.25 1.01 0.26 -5.08 -2.24 -1.26 -4.63 114.28 102.58 1lfy n THR 4 Ca 0.00 -0.40 0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1lfy n THR 4 Cb 0.02 -0.50 0.68 0.00 -2.10 0.00 0.00 70.33 68.43 1lfy n THR 4 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1lfy h PRO 5 N -0.56 0.00 0.00 -0.78 0.13 -2.00 -1.73 132.00 127.07 1lfy h PRO 5 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1lfy h PRO 5 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1lfy h PRO 5 CO 0.38 0.09 -0.40 1.05 -0.23 0.00 0.00 178.00 178.89 1lfy h GLU 6 N 0.00 0.00 0.00 0.86 4.11 -2.00 -2.41 114.58 115.13 1lfy h GLU 6 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1lfy h GLU 6 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1lfy h GLU 6 CO 0.01 0.40 -0.43 0.93 0.07 0.00 0.00 179.01 179.99 1lfy h GLU 7 N 0.00 0.00 0.14 1.06 5.08 -1.65 -2.94 114.58 116.27 1lfy h GLU 7 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1lfy h GLU 7 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1lfy h GLU 7 CO 0.05 0.43 -0.07 0.87 -1.00 0.00 0.00 179.01 179.29 1lfy h LYS 8 N 0.00 -0.18 -0.79 2.33 1.79 -1.10 -1.72 116.57 116.89 1lfy h LYS 8 Ca -0.00 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1lfy h LYS 8 Cb 1.32 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.96 1lfy h LYS 8 CO 0.06 0.21 0.52 0.66 -1.08 0.00 0.00 179.45 179.81 1lfy h SER 9 N -0.61 0.80 0.23 0.86 4.64 -1.47 0.66 113.55 118.66 1lfy h SER 9 Ca -0.02 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1lfy h SER 9 Cb 0.47 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1lfy h SER 9 CO 0.03 0.53 -0.11 0.00 -0.87 0.00 0.00 176.83 176.42 1lfy h ALA 10 N 1.55 -0.31 -0.58 5.18 0.00 -1.44 0.20 119.26 123.87 1lfy h ALA 10 Ca 0.33 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1lfy h ALA 10 Cb 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1lfy h ALA 10 CO -0.11 -0.61 0.12 0.28 0.00 0.00 0.00 179.25 178.93 1lfy h VAL 11 N -0.43 1.25 0.58 0.00 2.07 -0.79 -2.85 116.25 116.09 1lfy h VAL 11 Ca -0.03 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1lfy h VAL 11 Cb 0.33 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1lfy h VAL 11 CO 0.05 0.35 -0.28 0.74 0.02 0.00 0.00 177.57 178.45 1lfy h THR 12 N 0.85 0.00 -0.90 2.57 2.02 0.47 -2.21 112.91 115.71 1lfy h THR 12 Ca 0.18 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.53 1lfy h THR 12 Cb 0.39 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.72 1lfy h THR 12 CO 0.01 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.48 1lfy h ALA 13 N -1.63 1.93 0.09 6.16 0.00 -1.04 -2.70 119.26 122.07 1lfy h ALA 13 Ca -0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lfy h ALA 13 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1lfy h ALA 13 CO 0.13 -0.20 -0.04 1.25 0.00 0.00 0.00 179.25 180.39 1lfy h LEU 14 N 0.61 -0.10 -0.28 0.00 6.46 -1.51 -3.35 115.31 117.15 1lfy h LEU 14 Ca 0.47 -0.49 0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1lfy h LEU 14 Cb 0.87 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.75 1lfy h LEU 14 CO -0.21 0.49 -0.34 -0.25 -0.62 0.00 0.00 178.44 177.50 1lfy h TRP 15 N -0.75 -0.96 0.00 1.25 2.91 -1.09 -1.69 115.95 115.63 1lfy h TRP 15 Ca -0.01 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1lfy h TRP 15 Cb 0.58 0.46 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 1lfy h TRP 15 CO 0.11 -0.40 0.44 0.41 -1.03 0.00 0.00 178.44 177.97 1lfy n GLY 16 N -1.41 -0.35 0.12 2.65 0.00 -1.05 0.29 105.19 105.44 1lfy n GLY 16 Ca -0.01 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1lfy n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lfy n LYS 17 N -1.64 0.69 -1.24 1.61 5.02 -0.64 -4.99 118.16 116.98 1lfy n LYS 17 Ca -0.00 0.19 -0.49 0.00 -2.02 0.00 0.00 58.31 55.99 1lfy n LYS 17 Cb 0.45 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1lfy n LYS 17 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1lfy n VAL 18 N -3.26 0.00 -1.49 -0.18 0.31 0.14 -4.73 118.33 109.13 1lfy n VAL 18 Ca -0.36 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.57 1lfy n VAL 18 Cb 1.04 -0.03 -0.05 0.00 -0.91 0.00 0.00 33.84 33.89 1lfy n VAL 18 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1lfy n ASN 19 N 1.38 2.95 0.05 4.52 2.85 -1.26 -4.73 115.26 121.02 1lfy n ASN 19 Ca 0.17 -2.72 0.00 0.00 -0.11 0.00 0.00 54.58 51.92 1lfy n ASN 19 Cb 0.06 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 39.73 1lfy n ASN 19 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1lfy n VAL 20 N 6.27 0.00 -0.03 3.44 3.14 -1.26 -1.31 118.33 128.58 1lfy n VAL 20 Ca 0.49 0.56 -0.02 0.00 -2.96 0.00 0.00 64.34 62.41 1lfy n VAL 20 Cb 0.42 -1.55 -0.01 0.00 -1.06 0.00 0.00 33.84 31.65 1lfy n VAL 20 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1lfy h ASP 21 N 0.00 0.00 -0.12 6.55 3.32 -1.97 -3.40 116.42 120.81 1lfy h ASP 21 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1lfy h ASP 21 Cb 1.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1lfy h ASP 21 CO 0.00 0.31 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.48 1lfy h GLU 22 N -0.43 0.22 -1.02 3.56 4.39 -1.59 -3.28 114.58 116.43 1lfy h GLU 22 Ca 0.00 -0.09 0.26 0.00 0.34 0.00 0.00 59.36 59.87 1lfy h GLU 22 Cb 0.20 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.72 1lfy h GLU 22 CO 0.00 0.52 0.62 0.28 -1.16 0.00 0.00 179.01 179.28 1lfy h VAL 23 N -0.10 0.53 0.32 3.13 2.07 -1.67 -2.14 116.25 118.39 1lfy h VAL 23 Ca 0.03 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1lfy h VAL 23 Cb 0.44 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1lfy h VAL 23 CO 0.01 0.09 -0.51 1.23 0.02 0.00 0.00 177.57 178.42 1lfy h GLY 24 N 0.52 -1.22 1.91 2.17 0.00 -1.76 -2.47 103.07 102.21 1lfy h GLY 24 Ca 0.63 0.62 -0.05 0.00 0.00 0.00 0.00 47.33 48.52 1lfy h GLY 24 CO -0.42 -0.33 -0.21 -1.33 0.00 0.00 0.00 176.54 174.26 1lfy h GLY 25 N -0.87 0.12 1.17 4.60 0.00 -1.64 -2.45 103.07 104.00 1lfy h GLY 25 Ca -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1lfy h GLY 25 CO -0.17 0.08 0.43 0.83 0.00 0.00 0.00 176.54 177.71 1lfy h GLU 26 N 0.11 0.67 0.14 4.80 4.39 -1.02 -0.48 114.58 123.19 1lfy h GLU 26 Ca 0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1lfy h GLU 26 Cb 0.43 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1lfy h GLU 26 CO 0.03 0.44 -0.07 0.00 -1.16 0.00 0.00 179.01 178.25 1lfy h ALA 27 N 1.64 -0.36 -0.93 3.43 0.00 -1.00 -3.13 119.26 118.90 1lfy h ALA 27 Ca 0.27 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.40 1lfy h ALA 27 Cb 0.20 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 1lfy h ALA 27 CO -0.08 -0.35 0.41 1.25 0.00 0.00 0.00 179.25 180.48 1lfy h LEU 28 N -0.50 0.29 0.64 0.00 7.12 -1.49 -1.07 115.31 120.30 1lfy h LEU 28 Ca -0.02 0.18 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 1lfy h LEU 28 Cb 0.15 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1lfy h LEU 28 CO 0.03 -0.09 -0.32 1.23 -0.13 0.00 0.00 178.44 179.15 1lfy h GLY 29 N 0.32 -0.93 1.69 3.75 0.00 -1.20 -1.97 103.07 104.72 1lfy h GLY 29 Ca 0.62 0.35 0.02 0.00 0.00 0.00 0.00 47.33 48.32 1lfy h GLY 29 CO -0.60 -0.34 0.14 3.21 0.00 0.00 0.00 176.54 178.95 1lfy h ARG 30 N -0.88 0.00 -0.09 4.80 3.08 -1.18 0.59 114.38 120.69 1lfy h ARG 30 Ca -0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1lfy h ARG 30 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1lfy h ARG 30 CO 0.13 0.00 -0.11 1.25 -1.07 0.00 0.00 179.97 180.17 1lfy h LEU 31 N 0.00 0.26 -1.38 3.04 5.85 -0.57 0.11 115.31 122.62 1lfy h LEU 31 Ca 0.03 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 1lfy h LEU 31 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1lfy h LEU 31 CO -0.00 0.71 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.58 1lfy h LEU 32 N -0.19 0.20 0.17 2.25 3.38 -0.33 -0.57 115.31 120.23 1lfy h LEU 32 Ca 0.01 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 1lfy h LEU 32 Cb 0.65 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.36 1lfy h LEU 32 CO 0.03 0.39 -1.34 0.58 0.09 0.00 0.00 178.44 178.19 1lfy h VAL 33 N 0.20 1.19 0.00 1.22 2.07 -1.07 -3.28 116.25 116.58 1lfy h VAL 33 Ca 0.04 -2.52 -0.06 0.00 0.82 0.00 0.00 66.70 64.98 1lfy h VAL 33 Cb 0.41 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1lfy h VAL 33 CO 0.03 0.76 -0.85 0.58 0.02 0.00 0.00 177.57 178.10 1lfy h VAL 34 N -0.15 0.26 -2.15 2.57 2.07 -0.77 -3.38 116.25 114.71 1lfy h VAL 34 Ca -0.26 -1.45 -0.59 0.00 0.82 0.00 0.00 66.70 65.23 1lfy h VAL 34 Cb 1.89 1.87 -0.41 0.00 -1.52 0.00 0.00 31.29 33.12 1lfy h VAL 34 CO 0.15 0.15 -0.80 -1.22 0.02 0.00 0.00 177.57 175.88 1lfy n TYR 35 N -2.90 2.02 -0.31 1.57 4.01 -0.22 -5.00 117.16 116.33 1lfy n TYR 35 Ca -0.02 -3.92 0.24 0.00 -0.16 0.00 0.00 57.90 54.04 1lfy n TYR 35 Cb 0.65 -0.46 0.44 0.00 -0.31 0.00 0.00 39.34 39.66 1lfy n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1lfy n PRO 36 N 1.14 -0.06 0.31 -0.72 -0.02 -1.24 -0.79 135.00 133.62 1lfy n PRO 36 Ca 0.26 1.33 0.19 0.00 -2.02 0.00 0.00 63.50 63.26 1lfy n PRO 36 Cb 0.46 -2.28 0.99 0.00 -0.02 0.00 0.00 33.50 32.65 1lfy n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1lfy h TRP 37 N 0.00 0.00 -0.81 6.00 0.09 -1.92 -0.32 115.95 118.99 1lfy h TRP 37 Ca 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 59.65 1lfy h TRP 37 Cb 1.74 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 30.95 1lfy h TRP 37 CO -0.19 0.00 0.35 1.79 0.09 0.00 0.00 178.44 180.48 1lfy h THR 38 N 0.00 1.26 -0.12 0.12 1.35 -1.27 -2.64 112.91 111.62 1lfy h THR 38 Ca 0.02 -0.79 0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1lfy h THR 38 Cb 0.35 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1lfy h THR 38 CO -0.00 0.33 0.68 1.56 -0.25 0.00 0.00 175.52 177.84 1lfy h GLN 39 N 1.17 0.00 0.00 4.72 4.20 -1.23 -1.32 115.11 122.66 1lfy h GLN 39 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1lfy h GLN 39 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1lfy h GLN 39 CO -0.03 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.00 1lfy n ARG 40 N -2.82 0.13 0.00 1.46 0.63 -0.99 -1.76 116.66 113.30 1lfy n ARG 40 Ca 0.02 0.20 0.06 0.00 -0.92 0.00 0.00 57.85 57.20 1lfy n ARG 40 Cb 0.74 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 32.20 1lfy n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1lfy n PHE 41 N -1.27 0.00 -2.62 -0.14 3.01 -0.50 -4.60 117.46 111.34 1lfy n PHE 41 Ca 0.04 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.42 1lfy n PHE 41 Cb 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.57 1lfy n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1lfy n PHE 42 N 0.67 1.68 -0.00 1.38 3.01 -0.72 -4.80 117.46 118.67 1lfy n PHE 42 Ca 0.07 -2.27 -0.03 0.00 1.01 0.00 0.00 57.45 56.23 1lfy n PHE 42 Cb 0.30 -0.27 0.22 0.00 -0.01 0.00 0.00 39.48 39.72 1lfy n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1lfy h GLU 43 N 2.56 0.53 0.00 -1.08 5.08 -1.81 -2.03 114.58 117.82 1lfy h GLU 43 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1lfy h GLU 43 Cb 1.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1lfy h GLU 43 CO 0.38 0.68 0.00 -1.13 -1.00 0.00 0.00 179.01 177.93 1lfy n SER 44 N -4.17 0.00 0.01 1.42 3.41 -1.26 -2.71 113.62 110.32 1lfy n SER 44 Ca 0.00 0.47 0.14 0.00 -0.26 0.00 0.00 58.87 59.22 1lfy n SER 44 Cb 0.35 -0.48 0.54 0.00 -0.26 0.00 0.00 64.21 64.36 1lfy n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1lfy n PHE 45 N -1.48 0.06 0.00 7.33 0.99 -0.76 -5.04 117.46 118.55 1lfy n PHE 45 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1lfy n PHE 45 Cb 0.10 -0.48 0.00 0.00 -1.00 0.00 0.00 39.48 38.10 1lfy n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lfy n GLY 46 N 1.49 -1.25 3.63 1.37 0.00 -1.10 -4.68 105.19 104.65 1lfy n GLY 46 Ca 0.07 -2.09 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 1lfy n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lfy n ASP 47 N 0.00 3.71 -0.90 1.61 4.64 -1.26 -4.83 116.55 119.52 1lfy n ASP 47 Ca 0.00 0.66 0.05 0.00 -1.38 0.00 0.00 54.79 54.12 1lfy n ASP 47 Cb 0.00 -1.51 0.11 0.00 -1.04 0.00 0.00 41.12 38.69 1lfy n ASP 47 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1lfy n LEU 48 N 8.89 1.82 0.07 -2.67 4.77 -1.26 -4.23 117.00 124.38 1lfy n LEU 48 Ca 0.24 -2.89 -0.12 0.00 -0.03 0.00 0.00 56.01 53.22 1lfy n LEU 48 Cb 0.40 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 1lfy n LEU 48 CO 0.68 0.91 0.49 -1.28 -1.33 0.00 0.00 177.39 176.86 1lfy h SER 49 N 0.85 -0.19 -1.36 -1.43 0.87 -1.92 -3.46 113.55 106.90 1lfy h SER 49 Ca -0.09 -0.33 -0.49 0.00 -1.23 0.00 0.00 61.79 59.65 1lfy h SER 49 Cb 1.38 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 1lfy h SER 49 CO 0.04 0.30 -0.33 0.42 -0.53 0.00 0.00 176.83 176.73 1lfy s THR 50 N -3.92 2.60 0.14 2.23 -4.23 -1.26 -5.01 115.64 106.18 1lfy s THR 50 Ca -0.14 -1.26 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1lfy s THR 50 Cb 0.01 -2.86 -0.09 0.00 1.34 0.00 0.00 72.50 70.90 1lfy s THR 50 CO 0.54 0.00 1.42 1.55 -0.54 0.00 0.00 174.62 177.59 1lfy h PRO 51 N 0.86 0.77 -0.41 3.99 0.13 -1.99 -2.87 132.00 132.49 1lfy h PRO 51 Ca -0.40 -0.51 0.08 0.00 -0.87 0.00 0.00 66.00 64.30 1lfy h PRO 51 Cb 1.27 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1lfy h PRO 51 CO 0.54 1.13 0.28 -0.44 -0.23 0.00 0.00 178.00 179.28 1lfy h ASP 52 N 0.58 0.18 0.98 1.44 3.32 -1.98 -0.65 116.42 120.30 1lfy h ASP 52 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1lfy h ASP 52 Cb 1.18 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1lfy h ASP 52 CO 0.12 0.11 -0.93 0.00 -1.72 0.00 0.00 179.24 176.83 1lfy h ALA 53 N 1.79 0.44 0.00 3.45 0.00 -1.85 -2.80 119.26 120.30 1lfy h ALA 53 Ca 0.19 -0.84 -0.25 0.00 0.00 0.00 0.00 54.91 54.00 1lfy h ALA 53 Cb 0.47 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1lfy h ALA 53 CO -0.03 1.16 -1.01 0.28 0.00 0.00 0.00 179.25 179.64 1lfy h VAL 54 N 0.00 1.32 -0.00 0.00 2.07 -0.98 -2.43 116.25 116.23 1lfy h VAL 54 Ca -0.01 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1lfy h VAL 54 Cb 1.67 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1lfy h VAL 54 CO 0.12 0.71 -0.08 0.23 0.02 0.00 0.00 177.57 178.56 1lfy n MET 55 N -3.81 0.35 -0.00 1.57 2.00 -0.38 -3.32 117.12 113.52 1lfy n MET 55 Ca -0.09 -0.07 0.06 0.00 0.00 0.00 0.00 57.70 57.59 1lfy n MET 55 Cb 0.87 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 32.51 1lfy n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1lfy n GLY 56 N 1.36 -0.38 3.66 3.03 0.00 -1.06 -4.99 105.19 106.81 1lfy n GLY 56 Ca 0.12 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1lfy n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lfy n ASN 57 N -1.67 4.03 0.21 1.61 2.85 -0.92 -4.91 115.26 116.46 1lfy n ASN 57 Ca -0.00 0.88 0.06 0.00 -0.11 0.00 0.00 54.58 55.40 1lfy n ASN 57 Cb 0.26 -1.51 0.46 0.00 1.24 0.00 0.00 39.78 40.24 1lfy n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1lfy h PRO 58 N 10.64 0.00 -0.16 1.20 0.11 -1.90 -2.78 132.00 139.11 1lfy h PRO 58 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1lfy h PRO 58 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1lfy h PRO 58 CO 0.94 0.29 -0.26 0.87 -0.21 0.00 0.00 178.00 179.64 1lfy h LYS 59 N 0.00 0.29 -0.09 1.05 1.79 -1.91 -2.75 116.57 114.95 1lfy h LYS 59 Ca -0.00 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.25 1lfy h LYS 59 Cb 0.59 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1lfy h LYS 59 CO 0.04 0.53 -0.40 0.28 -1.08 0.00 0.00 179.45 178.82 1lfy h VAL 60 N 0.26 1.39 0.00 0.50 2.07 -1.81 -2.55 116.25 116.11 1lfy h VAL 60 Ca 0.04 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 65.76 1lfy h VAL 60 Cb 0.60 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1lfy h VAL 60 CO 0.04 0.52 -0.27 0.07 0.02 0.00 0.00 177.57 177.95 1lfy h LYS 61 N -0.00 0.00 0.00 1.57 2.10 -1.52 -0.70 116.57 118.02 1lfy h LYS 61 Ca -0.02 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.51 1lfy h LYS 61 Cb 1.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 1lfy h LYS 61 CO 0.08 0.27 -0.55 0.00 -2.00 0.00 0.00 179.45 177.25 1lfy h ALA 62 N 1.73 0.70 0.10 0.07 0.00 -1.49 -2.81 119.26 117.56 1lfy h ALA 62 Ca -0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 54.91 54.05 1lfy h ALA 62 Cb 0.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1lfy h ALA 62 CO 0.04 0.69 -1.99 1.58 0.00 0.00 0.00 179.25 179.57 1lfy n HIS 63 N -3.33 1.07 0.19 0.00 -0.00 -0.96 -3.59 115.22 108.59 1lfy n HIS 63 Ca 0.01 0.25 0.05 0.00 -0.00 0.00 0.00 57.72 58.03 1lfy n HIS 63 Cb 0.71 -1.14 0.48 0.00 -0.00 0.00 0.00 29.99 30.05 1lfy n HIS 63 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1lfy h GLY 64 N 0.93 0.10 0.94 1.57 0.00 -1.23 0.18 103.07 105.56 1lfy h GLY 64 Ca -0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1lfy h GLY 64 CO 0.03 0.05 -0.18 1.70 0.00 0.00 0.00 176.54 178.14 1lfy h LYS 65 N 0.09 -0.47 0.09 4.80 1.63 -1.64 -0.60 116.57 120.47 1lfy h LYS 65 Ca 0.02 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1lfy h LYS 65 Cb 0.29 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1lfy h LYS 65 CO 0.02 -0.28 -0.17 0.87 -3.45 0.00 0.00 179.45 176.44 1lfy h LYS 66 N -0.56 -0.32 -1.08 1.90 1.79 -1.41 -1.87 116.57 115.02 1lfy h LYS 66 Ca -0.05 0.02 0.30 0.00 -2.18 0.00 0.00 60.65 58.74 1lfy h LYS 66 Cb 0.42 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 31.03 1lfy h LYS 66 CO 0.08 -0.21 0.69 0.28 -1.08 0.00 0.00 179.45 179.21 1lfy h VAL 67 N -0.33 0.44 0.00 0.50 2.07 -0.75 1.31 116.25 119.49 1lfy h VAL 67 Ca 0.03 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1lfy h VAL 67 Cb 0.35 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1lfy h VAL 67 CO -0.10 0.06 -0.32 -0.07 0.02 0.00 0.00 177.57 177.17 1lfy h LEU 68 N 0.35 0.00 -0.90 2.57 3.38 -0.34 -2.90 115.31 117.47 1lfy h LEU 68 Ca 0.65 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.54 1lfy h LEU 68 Cb 1.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1lfy h LEU 68 CO -0.36 0.32 -0.02 1.23 0.09 0.00 0.00 178.44 179.70 1lfy h GLY 69 N 2.95 0.85 1.73 0.83 0.00 0.24 -0.61 103.07 109.06 1lfy h GLY 69 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 1lfy h GLY 69 CO 0.04 0.54 -0.17 0.00 0.00 0.00 0.00 176.54 176.95 1lfy h ALA 70 N 1.24 1.35 0.36 3.60 0.00 -1.19 0.19 119.26 124.81 1lfy h ALA 70 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1lfy h ALA 70 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lfy h ALA 70 CO 0.02 0.44 -0.17 0.74 0.00 0.00 0.00 179.25 180.28 1lfy h PHE 71 N 0.31 -0.44 -1.02 0.00 -1.00 -1.26 -0.34 116.94 113.19 1lfy h PHE 71 Ca 0.06 -0.01 0.25 0.00 2.81 0.00 0.00 57.97 61.07 1lfy h PHE 71 Cb 0.48 0.15 -0.11 0.00 3.61 0.00 0.00 35.95 40.07 1lfy h PHE 71 CO 0.01 -0.20 0.62 0.77 -1.61 0.00 0.00 178.31 177.90 1lfy h SER 72 N -1.08 0.61 0.07 2.17 0.02 -1.10 1.36 113.55 115.60 1lfy h SER 72 Ca -0.05 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1lfy h SER 72 Cb 0.45 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1lfy h SER 72 CO 0.08 0.12 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.07 1lfy h ASP 73 N 0.54 -0.08 -0.55 3.07 1.82 -0.90 -2.81 116.42 117.51 1lfy h ASP 73 Ca 0.62 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 57.43 1lfy h ASP 73 Cb 1.28 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 1lfy h ASP 73 CO -0.41 -0.06 0.44 1.23 -1.61 0.00 0.00 179.24 178.84 1lfy h GLY 74 N -0.10 0.00 2.00 -0.78 0.00 0.06 0.18 103.07 104.42 1lfy h GLY 74 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1lfy h GLY 74 CO 0.02 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.56 1lfy h LEU 75 N 0.00 0.00 -4.25 3.11 5.85 0.19 -2.17 115.31 118.05 1lfy h LEU 75 Ca 0.26 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.45 1lfy h LEU 75 Cb 1.14 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 41.75 1lfy h LEU 75 CO -0.00 0.00 -0.83 0.00 -0.34 0.00 0.00 178.44 177.27 1lfy n ALA 76 N -1.82 4.78 -1.59 1.25 0.00 0.62 -4.54 120.51 119.21 1lfy n ALA 76 Ca 0.01 -3.90 -0.02 0.00 0.00 0.00 0.00 53.44 49.53 1lfy n ALA 76 Cb 0.19 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 1lfy n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfy n HIS 77 N -0.57 0.00 -0.22 0.00 8.25 -0.85 -5.01 115.22 116.82 1lfy n HIS 77 Ca 0.37 -0.13 0.01 0.00 -0.26 0.00 0.00 57.72 57.72 1lfy n HIS 77 Cb 0.82 0.29 0.09 0.00 1.12 0.00 0.00 29.99 32.32 1lfy n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lfy h LEU 78 N 0.00 -0.47 -1.36 2.41 3.38 -1.71 0.21 115.31 117.77 1lfy h LEU 78 Ca -0.14 0.18 0.42 0.00 0.09 0.00 0.00 57.88 58.43 1lfy h LEU 78 Cb 0.69 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 1lfy h LEU 78 CO -0.07 -0.18 0.94 -0.67 0.09 0.00 0.00 178.44 178.55 1lfy n ASP 79 N -5.38 0.07 -3.27 -0.43 4.64 -1.26 -3.14 116.55 107.77 1lfy n ASP 79 Ca 0.09 0.92 -0.06 0.00 -1.38 0.00 0.00 54.79 54.35 1lfy n ASP 79 Cb 0.37 -0.45 -0.05 0.00 -1.04 0.00 0.00 41.12 39.95 1lfy n ASP 79 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 1lfy s ASN 80 N -4.08 -0.03 -0.14 1.67 2.47 0.06 -5.00 114.94 109.89 1lfy s ASN 80 Ca -0.05 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 52.90 1lfy s ASN 80 Cb 0.23 1.29 -0.24 0.00 -1.45 0.00 0.00 41.25 41.08 1lfy s ASN 80 CO 0.68 -0.33 0.30 0.18 -3.72 0.00 0.00 177.10 174.20 1lfy n LEU 81 N 5.29 2.18 -0.04 3.21 4.32 -1.19 -3.91 117.00 126.87 1lfy n LEU 81 Ca 0.02 0.17 -0.08 0.00 -0.02 0.00 0.00 56.01 56.10 1lfy n LEU 81 Cb 0.50 -0.72 -0.02 0.00 -1.62 0.00 0.00 43.42 41.56 1lfy n LEU 81 CO -0.02 0.76 0.79 0.11 -1.22 0.00 0.00 177.39 177.80 1lfy h LYS 82 N 0.04 -0.08 -0.03 3.23 6.56 -1.91 0.64 116.57 125.02 1lfy h LYS 82 Ca -0.43 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.16 1lfy h LYS 82 Cb 2.02 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 33.70 1lfy h LYS 82 CO 0.05 -0.05 0.01 0.78 -2.06 0.00 0.00 179.45 178.18 1lfy h GLY 83 N -0.08 0.05 0.02 3.86 0.00 -1.94 0.62 103.07 105.59 1lfy h GLY 83 Ca 0.11 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.53 1lfy h GLY 83 CO -0.26 0.02 -0.04 -0.84 0.00 0.00 0.00 176.54 175.43 1lfy h THR 84 N -0.08 0.52 -0.54 4.70 2.02 -1.60 -1.71 112.91 116.23 1lfy h THR 84 Ca 0.01 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1lfy h THR 84 Cb 0.12 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1lfy h THR 84 CO -0.00 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1lfy n PHE 85 N -5.29 0.81 -0.17 3.16 3.01 0.19 -4.56 117.46 114.60 1lfy n PHE 85 Ca 0.07 -0.38 -0.01 0.00 1.01 0.00 0.00 57.45 58.13 1lfy n PHE 85 Cb 0.31 -0.04 0.08 0.00 -0.01 0.00 0.00 39.48 39.82 1lfy n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lfy h ALA 86 N 3.96 0.57 0.75 4.37 0.00 0.12 0.11 119.26 129.14 1lfy h ALA 86 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1lfy h ALA 86 Cb 0.81 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1lfy h ALA 86 CO 0.03 -0.35 -0.36 1.15 0.00 0.00 0.00 179.25 179.72 1lfy h THR 87 N 0.18 0.00 -1.01 0.00 2.02 -1.80 -2.87 112.91 109.44 1lfy h THR 87 Ca 0.28 -0.22 0.23 0.00 0.77 0.00 0.00 66.41 67.47 1lfy h THR 87 Cb 0.41 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.70 1lfy h THR 87 CO -0.40 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.03 1lfy h LEU 88 N -1.23 0.68 0.00 2.58 3.38 -1.84 -1.58 115.31 117.30 1lfy h LEU 88 Ca -0.10 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1lfy h LEU 88 Cb 0.77 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1lfy h LEU 88 CO 0.17 0.15 0.00 -0.24 0.09 0.00 0.00 178.44 178.61 1lfy n SER 89 N -4.82 0.00 -0.33 -0.43 2.88 0.37 -0.83 113.62 110.46 1lfy n SER 89 Ca 0.26 0.88 0.17 0.00 -1.33 0.00 0.00 58.87 58.85 1lfy n SER 89 Cb 0.71 -0.38 0.32 0.00 -0.75 0.00 0.00 64.21 64.11 1lfy n SER 89 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1lfy n GLU 90 N -1.94 -0.07 0.46 -1.46 2.13 -0.89 -0.14 120.64 118.72 1lfy n GLU 90 Ca 0.00 1.42 -0.20 0.00 0.66 0.00 0.00 57.16 59.04 1lfy n GLU 90 Cb 0.00 -2.30 -0.10 0.00 0.27 0.00 0.00 31.44 29.31 1lfy n GLU 90 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1lfy h LEU 91 N 0.00 -1.12 -1.79 4.31 5.85 -0.90 -1.56 115.31 120.09 1lfy h LEU 91 Ca 0.61 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.36 1lfy h LEU 91 Cb 1.33 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 1lfy h LEU 91 CO -0.88 -0.75 -0.12 0.45 -0.34 0.00 0.00 178.44 176.80 1lfy h HIS 92 N -1.21 0.00 0.00 1.25 3.86 0.57 0.62 115.15 120.24 1lfy h HIS 92 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1lfy h HIS 92 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1lfy h HIS 92 CO -0.05 0.12 0.00 0.00 0.86 0.00 0.00 177.93 178.86 1lfy n ASP 94 N 0.00 0.34 0.08 0.00 5.68 -0.61 -1.15 116.55 120.89 1lfy n ASP 94 Ca 0.00 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1lfy n ASP 94 Cb 0.00 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1lfy n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1lfy n LYS 95 N -0.05 0.00 0.05 0.11 4.76 -1.13 -4.87 118.16 117.03 1lfy n LYS 95 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1lfy n LYS 95 Cb 0.09 -0.30 -0.09 0.00 -1.84 0.00 0.00 35.03 32.88 1lfy n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1lfy h LEU 96 N 0.00 0.00 -1.28 -0.35 3.38 -0.97 -3.49 115.31 112.61 1lfy h LEU 96 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1lfy h LEU 96 Cb 0.05 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.91 1lfy h LEU 96 CO 0.00 0.85 -0.51 1.41 0.09 0.00 0.00 178.44 180.28 1lfy n HIS 97 N -3.20 -1.84 -3.05 1.13 8.25 -0.30 -4.99 115.22 111.22 1lfy n HIS 97 Ca -0.05 0.70 -0.40 0.00 -0.26 0.00 0.00 57.72 57.71 1lfy n HIS 97 Cb 0.91 -4.02 -0.05 0.00 1.12 0.00 0.00 29.99 27.95 1lfy n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1lfy s VAL 98 N -3.24 5.00 0.06 1.59 1.01 -0.08 -5.01 120.40 119.72 1lfy s VAL 98 Ca 0.23 1.34 -0.32 0.00 0.00 0.00 0.00 61.98 63.24 1lfy s VAL 98 Cb -0.10 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1lfy s VAL 98 CO 0.52 0.12 1.87 -0.67 0.00 0.00 0.00 175.10 176.95 1lfy n ASP 99 N 4.81 3.90 0.12 3.32 2.03 -1.26 -4.77 116.55 124.69 1lfy n ASP 99 Ca -0.00 0.96 0.19 0.00 0.52 0.00 0.00 54.79 56.46 1lfy n ASP 99 Cb 0.50 -1.50 0.63 0.00 -0.72 0.00 0.00 41.12 40.03 1lfy n ASP 99 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1lfy h PRO 100 N 9.16 0.00 -0.55 -0.67 0.13 -1.97 0.21 132.00 138.32 1lfy h PRO 100 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1lfy h PRO 100 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1lfy h PRO 100 CO 0.94 0.00 0.37 1.49 -0.23 0.00 0.00 178.00 180.57 1lfy h GLU 101 N 0.00 0.43 0.00 0.86 4.57 -1.97 -0.95 114.58 117.52 1lfy h GLU 101 Ca 0.18 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1lfy h GLU 101 Cb 1.44 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1lfy h GLU 101 CO -0.00 0.29 0.00 -0.91 -1.18 0.00 0.00 179.01 177.21 1lfy h ASN 102 N 0.45 0.00 1.32 1.04 4.21 -0.93 -2.04 115.58 119.63 1lfy h ASN 102 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1lfy h ASN 102 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1lfy h ASN 102 CO -0.07 0.00 -0.06 0.49 -1.29 0.00 0.00 177.43 176.51 1lfy n PHE 103 N -2.77 0.71 0.02 1.19 3.72 -0.36 -2.19 117.46 117.77 1lfy n PHE 103 Ca 0.01 0.21 -0.18 0.00 -0.05 0.00 0.00 57.45 57.43 1lfy n PHE 103 Cb 0.25 -0.82 -0.14 0.00 -0.94 0.00 0.00 39.48 37.83 1lfy n PHE 103 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lfy h ARG 104 N 0.00 0.23 0.12 -1.08 3.08 -1.42 -3.16 114.38 112.15 1lfy h ARG 104 Ca 0.00 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 1lfy h ARG 104 Cb 0.69 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1lfy h ARG 104 CO 0.00 1.07 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.84 1lfy h LEU 105 N 0.06 -0.13 -0.44 3.04 3.38 -1.49 0.68 115.31 120.41 1lfy h LEU 105 Ca -0.35 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.48 1lfy h LEU 105 Cb 2.04 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.77 1lfy h LEU 105 CO 0.11 0.13 0.12 0.25 0.09 0.00 0.00 178.44 179.14 1lfy h LEU 106 N -0.41 0.07 -1.47 1.67 5.85 -1.61 0.29 115.31 119.70 1lfy h LEU 106 Ca -0.02 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1lfy h LEU 106 Cb 0.33 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1lfy h LEU 106 CO 0.03 0.07 0.28 1.23 -0.34 0.00 0.00 178.44 179.71 1lfy h GLY 107 N 0.26 0.67 1.65 3.75 0.00 -1.48 -0.63 103.07 107.29 1lfy h GLY 107 Ca 0.21 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1lfy h GLY 107 CO -0.25 0.26 -0.61 3.43 0.00 0.00 0.00 176.54 179.37 1lfy h ASN 108 N 0.64 0.41 -0.20 0.19 -0.26 0.16 -2.45 115.58 114.08 1lfy h ASN 108 Ca 0.17 -0.24 -0.20 0.00 -0.56 0.00 0.00 56.30 55.47 1lfy h ASN 108 Cb -0.02 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 1lfy h ASN 108 CO -0.03 0.92 -0.63 -0.37 -1.06 0.00 0.00 177.43 176.26 1lfy h VAL 109 N 0.27 1.28 -0.76 2.81 -1.51 0.05 -2.74 116.25 115.65 1lfy h VAL 109 Ca -0.01 -1.83 0.12 0.00 -1.23 0.00 0.00 66.70 63.76 1lfy h VAL 109 Cb 1.14 1.77 -0.09 0.00 -2.13 0.00 0.00 31.29 31.99 1lfy h VAL 109 CO 0.10 0.59 0.36 0.25 -1.23 0.00 0.00 177.57 177.64 1lfy h LEU 110 N 0.60 0.41 -1.85 4.19 6.46 -1.02 0.41 115.31 124.51 1lfy h LEU 110 Ca -0.01 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1lfy h LEU 110 Cb 1.24 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1lfy h LEU 110 CO 0.13 0.19 -0.01 0.58 -0.62 0.00 0.00 178.44 178.72 1lfy h VAL 111 N 0.55 0.04 0.18 1.05 2.07 -1.24 -0.29 116.25 118.60 1lfy h VAL 111 Ca 0.40 -0.40 -0.27 0.00 0.82 0.00 0.00 66.70 67.25 1lfy h VAL 111 Cb 0.53 1.39 0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1lfy h VAL 111 CO -0.34 0.01 -1.24 0.00 0.02 0.00 0.00 177.57 176.02 1lfy h VAL 113 N -0.15 0.94 0.00 0.00 2.07 -0.28 0.13 116.25 118.96 1lfy h VAL 113 Ca -0.23 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1lfy h VAL 113 Cb 1.88 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1lfy h VAL 113 CO 0.18 0.03 -0.01 -0.07 0.02 0.00 0.00 177.57 177.71 1lfy h LEU 114 N 0.17 0.00 0.02 2.57 3.38 -1.16 0.89 115.31 121.18 1lfy h LEU 114 Ca 0.09 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 1lfy h LEU 114 Cb 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1lfy h LEU 114 CO -0.10 0.01 -1.37 0.00 0.09 0.00 0.00 178.44 177.07 1lfy h ALA 115 N 1.99 0.52 -0.37 1.53 0.00 -0.97 -3.03 119.26 118.93 1lfy h ALA 115 Ca -0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 54.91 53.59 1lfy h ALA 115 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1lfy h ALA 115 CO 0.00 1.38 -0.35 1.25 0.00 0.00 0.00 179.25 181.53 1lfy h HIS 116 N 0.01 1.06 0.00 0.00 6.17 0.15 -1.64 115.15 120.89 1lfy h HIS 116 Ca -0.16 -0.31 -0.19 0.00 0.71 0.00 0.00 60.37 60.43 1lfy h HIS 116 Cb 1.90 -0.22 -0.03 0.00 2.52 0.00 0.00 27.41 31.58 1lfy h HIS 116 CO 0.01 1.12 -1.05 0.45 0.71 0.00 0.00 177.93 179.16 1lfy h HIS 117 N 0.69 0.00 -0.26 5.26 -0.00 -1.23 -3.34 115.15 116.26 1lfy h HIS 117 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1lfy h HIS 117 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 1lfy h HIS 117 CO 0.07 0.77 0.00 1.19 -0.00 0.00 0.00 177.93 179.96 1lfy n PHE 118 N -3.17 0.35 0.00 2.45 3.01 -1.14 -5.01 117.46 113.95 1lfy n PHE 118 Ca -0.04 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.05 1lfy n PHE 118 Cb 0.88 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 1lfy n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lfy n GLY 119 N 0.57 0.67 0.25 1.37 0.00 -0.62 0.35 105.19 107.78 1lfy n GLY 119 Ca 0.10 0.38 0.14 0.00 0.00 0.00 0.00 46.02 46.65 1lfy n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lfy h LYS 120 N 0.00 0.00 -0.11 1.61 1.57 -1.95 -3.09 116.57 114.61 1lfy h LYS 120 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1lfy h LYS 120 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1lfy h LYS 120 CO 0.00 0.05 -0.48 0.93 -0.57 0.00 0.00 179.45 179.38 1lfy h GLU 121 N 0.00 0.27 -3.95 3.15 5.08 -0.51 -3.33 114.58 115.29 1lfy h GLU 121 Ca -0.00 -0.15 -0.56 0.00 -1.00 0.00 0.00 59.36 57.65 1lfy h GLU 121 Cb 0.70 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.98 1lfy h GLU 121 CO 0.01 0.69 2.61 0.34 -1.00 0.00 0.00 179.01 181.66 1lfy n PHE 122 N -3.97 1.91 -0.95 4.33 7.35 -1.17 -4.93 117.46 120.03 1lfy n PHE 122 Ca -0.02 -2.08 -0.30 0.00 -0.76 0.00 0.00 57.45 54.29 1lfy n PHE 122 Cb 0.53 -1.84 0.16 0.00 0.35 0.00 0.00 39.48 38.68 1lfy n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfy s THR 123 N 4.04 2.51 0.37 -2.13 -4.23 -1.25 -4.72 115.64 110.23 1lfy s THR 123 Ca 0.50 0.16 0.14 0.00 -1.18 0.00 0.00 61.69 61.32 1lfy s THR 123 Cb 0.13 -2.43 0.36 0.00 1.34 0.00 0.00 72.50 71.90 1lfy s THR 123 CO 0.03 -0.21 1.80 -0.65 -0.54 0.00 0.00 174.62 175.05 1lfy h PRO 124 N -1.74 0.50 -0.05 3.99 0.11 -1.94 -0.17 132.00 132.69 1lfy h PRO 124 Ca -0.48 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 1lfy h PRO 124 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1lfy h PRO 124 CO 0.49 0.33 -0.64 -1.35 -0.21 0.00 0.00 178.00 176.62 1lfy h PRO 125 N 0.52 0.20 0.00 1.05 0.11 -1.98 -2.14 132.00 129.77 1lfy h PRO 125 Ca 0.54 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 1lfy h PRO 125 Cb 1.19 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1lfy h PRO 125 CO -0.28 0.77 -0.16 0.28 -0.21 0.00 0.00 178.00 178.40 1lfy h VAL 126 N 0.15 0.31 0.03 3.15 2.07 -1.42 -2.13 116.25 118.41 1lfy h VAL 126 Ca -0.01 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 1lfy h VAL 126 Cb 1.16 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1lfy h VAL 126 CO 0.10 0.16 -0.21 -0.61 0.02 0.00 0.00 177.57 177.02 1lfy h GLN 127 N 0.00 0.09 0.00 1.57 4.15 -1.07 -2.75 115.11 117.10 1lfy h GLN 127 Ca -0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1lfy h GLN 127 Cb 0.95 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 1lfy h GLN 127 CO 0.02 1.04 -0.07 0.00 -1.93 0.00 0.00 178.83 177.89 1lfy h ALA 128 N 0.06 1.26 -0.25 3.38 0.00 -1.40 0.46 119.26 122.77 1lfy h ALA 128 Ca -0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1lfy h ALA 128 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1lfy h ALA 128 CO 0.04 0.08 -0.58 0.00 0.00 0.00 0.00 179.25 178.79 1lfy h ALA 129 N 1.93 0.41 0.02 0.00 0.00 -1.37 -2.93 119.26 117.32 1lfy h ALA 129 Ca -0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.17 1lfy h ALA 129 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1lfy h ALA 129 CO 0.01 0.65 -1.01 1.88 0.00 0.00 0.00 179.25 180.78 1lfy h TYR 130 N 0.60 0.11 -0.03 0.00 0.05 -1.02 -3.16 116.97 113.52 1lfy h TYR 130 Ca -0.00 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.71 1lfy h TYR 130 Cb 1.19 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.93 1lfy h TYR 130 CO 0.08 1.02 0.03 1.96 -1.05 0.00 0.00 178.16 180.20 1lfy h GLN 131 N 0.02 0.00 -0.01 4.88 1.08 -0.03 0.54 115.11 121.60 1lfy h GLN 131 Ca -0.03 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.97 1lfy h GLN 131 Cb 1.74 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 29.19 1lfy h GLN 131 CO 0.14 0.00 -0.76 0.87 -0.95 0.00 0.00 178.83 178.13 1lfy h LYS 132 N 0.00 0.53 -0.37 1.46 1.57 -1.48 -3.13 116.57 115.15 1lfy h LYS 132 Ca 0.01 -0.56 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1lfy h LYS 132 Cb 0.07 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1lfy h LYS 132 CO -0.00 1.19 0.17 0.28 -0.57 0.00 0.00 179.45 180.52 1lfy h VAL 133 N 0.10 1.17 -0.52 0.50 2.07 -1.13 -0.08 116.25 118.36 1lfy h VAL 133 Ca -0.09 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1lfy h VAL 133 Cb 1.45 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1lfy h VAL 133 CO 0.15 0.18 0.29 0.58 0.02 0.00 0.00 177.57 178.78 1lfy h VAL 134 N 0.45 1.16 -0.02 2.57 2.07 -1.06 0.25 116.25 121.67 1lfy h VAL 134 Ca 0.13 -0.40 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 1lfy h VAL 134 Cb 0.12 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1lfy h VAL 134 CO -0.02 0.18 -0.62 0.00 0.02 0.00 0.00 177.57 177.14 1lfy h ALA 135 N 1.60 0.10 -0.47 1.67 0.00 -1.46 0.19 119.26 120.89 1lfy h ALA 135 Ca 0.19 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1lfy h ALA 135 Cb 0.02 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1lfy h ALA 135 CO -0.03 0.38 0.11 0.78 0.00 0.00 0.00 179.25 180.50 1lfy h GLY 136 N -0.02 0.58 0.63 0.00 0.00 -0.18 0.18 103.07 104.26 1lfy h GLY 136 Ca -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1lfy h GLY 136 CO 0.12 -0.04 -0.06 -2.08 0.00 0.00 0.00 176.54 174.48 1lfy h VAL 137 N 0.26 1.36 -0.64 4.60 2.07 -0.58 -2.84 116.25 120.48 1lfy h VAL 137 Ca 0.23 -1.19 0.18 0.00 0.82 0.00 0.00 66.70 66.75 1lfy h VAL 137 Cb 0.29 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1lfy h VAL 137 CO -0.29 0.33 0.53 0.00 0.02 0.00 0.00 177.57 178.17 1lfy h ALA 138 N 0.57 2.49 0.14 1.67 0.00 -0.25 -2.38 119.26 121.49 1lfy h ALA 138 Ca 0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1lfy h ALA 138 Cb 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1lfy h ALA 138 CO 0.02 -0.86 -1.85 -0.91 0.00 0.00 0.00 179.25 175.65 1lfy h ASN 139 N 0.00 0.47 -0.52 0.00 2.35 -0.56 -3.25 115.58 114.06 1lfy h ASN 139 Ca 0.30 -0.85 0.05 0.00 -0.55 0.00 0.00 56.30 55.25 1lfy h ASN 139 Cb 1.37 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 1lfy h ASN 139 CO -0.00 1.74 0.35 0.00 -1.65 0.00 0.00 177.43 177.86 1lfy h ALA 140 N 0.19 1.83 0.00 -0.83 0.00 -1.19 -0.81 119.26 118.45 1lfy h ALA 140 Ca -0.37 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 1lfy h ALA 140 Cb 2.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1lfy h ALA 140 CO 0.13 0.09 -0.83 -0.07 0.00 0.00 0.00 179.25 178.57 1lfy h LEU 141 N 0.52 0.02 -0.48 0.00 3.38 -1.63 -3.01 115.31 114.11 1lfy h LEU 141 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1lfy h LEU 141 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1lfy h LEU 141 CO -0.06 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.31 1lfy n ALA 142 N -2.39 2.56 0.36 1.53 0.00 -0.36 -4.27 120.51 117.94 1lfy n ALA 142 Ca -0.01 -0.28 -0.17 0.00 0.00 0.00 0.00 53.44 52.98 1lfy n ALA 142 Cb 0.79 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1lfy n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1lfy h HIS 143 N 0.92 -1.15 0.00 0.00 6.17 -1.27 -2.13 115.15 117.70 1lfy h HIS 143 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1lfy h HIS 143 Cb 0.20 0.41 0.00 0.00 2.52 0.00 0.00 27.41 30.55 1lfy h HIS 143 CO 0.05 -0.63 0.20 1.63 0.71 0.00 0.00 177.93 179.90 1lfy n LYS 144 N -5.10 0.00 -0.35 5.26 4.76 -1.26 -1.95 118.16 119.52 1lfy n LYS 144 Ca -0.12 0.06 -0.02 0.00 -2.87 0.00 0.00 58.31 55.36 1lfy n LYS 144 Cb 0.43 -1.70 0.10 0.00 -1.84 0.00 0.00 35.03 32.02 1lfy n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1lfy n TYR 145 N -0.88 0.85 -0.15 2.13 4.01 -0.80 -4.88 117.16 117.44 1lfy n TYR 145 Ca 0.00 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 1lfy n TYR 145 Cb 0.20 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 1lfy n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12