#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfv h HIS 2 N 0.00 0.00 -6.12 6.34 6.17 -1.96 -3.44 115.15 116.14 1lfv h HIS 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1lfv h HIS 2 Cb 0.00 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 29.92 1lfv h HIS 2 CO 0.00 0.53 -0.64 1.28 0.71 0.00 0.00 177.93 179.80 1lfv n LEU 3 N -4.60 -4.48 -4.78 0.26 4.77 -1.26 -4.92 117.00 101.99 1lfv n LEU 3 Ca -0.13 0.81 -0.32 0.00 -0.03 0.00 0.00 56.01 56.34 1lfv n LEU 3 Cb 0.36 -1.79 0.05 0.00 -2.33 0.00 0.00 43.42 39.71 1lfv n LEU 3 CO 0.13 -2.26 0.72 0.42 -1.33 0.00 0.00 177.39 175.08 1lfv s THR 4 N -0.63 3.42 0.41 -5.08 -4.23 -1.26 -4.53 115.64 103.74 1lfv s THR 4 Ca -0.02 0.59 0.22 0.00 -1.18 0.00 0.00 61.69 61.30 1lfv s THR 4 Cb 0.00 -3.12 0.42 0.00 1.34 0.00 0.00 72.50 71.15 1lfv s THR 4 CO 0.11 -0.48 1.71 1.55 -0.54 0.00 0.00 174.62 176.97 1lfv h PRO 5 N -0.30 0.27 0.64 3.99 0.13 -1.98 0.28 132.00 135.03 1lfv h PRO 5 Ca -0.46 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1lfv h PRO 5 Cb 1.23 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1lfv h PRO 5 CO 0.54 0.18 -0.46 0.93 -0.23 0.00 0.00 178.00 178.95 1lfv h GLU 6 N 0.27 -1.02 -0.54 0.86 4.39 -2.01 -2.46 114.58 114.06 1lfv h GLU 6 Ca 0.68 0.07 0.06 0.00 0.34 0.00 0.00 59.36 60.51 1lfv h GLU 6 Cb 1.90 0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 30.73 1lfv h GLU 6 CO -0.36 -0.68 0.26 0.93 -1.16 0.00 0.00 179.01 178.00 1lfv h GLU 7 N -1.06 0.47 -1.00 2.33 5.08 -1.44 -2.18 114.58 116.77 1lfv h GLU 7 Ca -0.08 -0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.48 1lfv h GLU 7 Cb 0.87 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.91 1lfv h GLU 7 CO 0.04 0.31 0.63 0.87 -1.00 0.00 0.00 179.01 179.86 1lfv h LYS 8 N 0.49 0.54 0.02 2.33 1.79 -0.39 -1.39 116.57 119.95 1lfv h LYS 8 Ca 0.25 -0.03 -0.24 0.00 -2.18 0.00 0.00 60.65 58.45 1lfv h LYS 8 Cb 0.20 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1lfv h LYS 8 CO -0.20 0.36 -0.95 0.66 -1.08 0.00 0.00 179.45 178.23 1lfv h SER 9 N 0.56 0.80 -0.66 0.86 4.64 -0.92 -2.75 113.55 116.08 1lfv h SER 9 Ca 0.59 -0.76 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1lfv h SER 9 Cb 1.21 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 1lfv h SER 9 CO -0.35 1.46 0.39 0.00 -0.87 0.00 0.00 176.83 177.47 1lfv h ALA 10 N 0.35 0.88 -0.03 5.18 0.00 -1.04 0.28 119.26 124.88 1lfv h ALA 10 Ca -0.13 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1lfv h ALA 10 Cb 1.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1lfv h ALA 10 CO 0.19 0.11 -0.60 0.28 0.00 0.00 0.00 179.25 179.22 1lfv h VAL 11 N 0.74 1.41 0.00 0.00 2.07 -1.36 -2.98 116.25 116.14 1lfv h VAL 11 Ca 0.28 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 1lfv h VAL 11 Cb 0.10 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1lfv h VAL 11 CO -0.14 0.59 -0.00 0.74 0.02 0.00 0.00 177.57 178.78 1lfv h THR 12 N 0.08 1.54 -0.45 2.57 2.02 -1.10 -2.51 112.91 115.07 1lfv h THR 12 Ca -0.01 -2.16 0.09 0.00 0.77 0.00 0.00 66.41 65.11 1lfv h THR 12 Cb 1.09 2.92 -0.09 0.00 -1.74 0.00 0.00 68.15 70.33 1lfv h THR 12 CO 0.09 0.52 -0.12 0.00 0.37 0.00 0.00 175.52 176.38 1lfv h ALA 13 N -0.14 0.28 0.58 6.16 0.00 -0.56 -1.18 119.26 124.41 1lfv h ALA 13 Ca -0.00 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lfv h ALA 13 Cb 0.86 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1lfv h ALA 13 CO 0.00 -0.46 -0.28 1.25 0.00 0.00 0.00 179.25 179.76 1lfv h LEU 14 N -0.01 -0.66 -1.72 0.00 6.46 -1.67 -3.13 115.31 114.57 1lfv h LEU 14 Ca 0.21 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 1lfv h LEU 14 Cb 0.34 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1lfv h LEU 14 CO -0.47 -0.29 0.55 -0.25 -0.62 0.00 0.00 178.44 177.36 1lfv h TRP 15 N -1.11 0.00 0.00 1.25 2.91 -1.29 0.12 115.95 117.83 1lfv h TRP 15 Ca -0.08 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.80 1lfv h TRP 15 Cb 0.65 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.28 1lfv h TRP 15 CO 0.01 0.00 -0.68 0.78 -1.03 0.00 0.00 178.44 177.52 1lfv h GLY 16 N 0.00 0.00 -3.58 2.65 0.00 -1.15 -3.15 103.07 97.83 1lfv h GLY 16 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 1lfv h GLY 16 CO -0.00 0.00 0.17 0.28 0.00 0.00 0.00 176.54 176.99 1lfv n LYS 17 N -3.50 4.08 -3.21 4.80 5.02 0.03 -4.96 118.16 120.43 1lfv n LYS 17 Ca -0.00 -2.99 -0.39 0.00 -2.02 0.00 0.00 58.31 52.91 1lfv n LYS 17 Cb 0.72 -2.21 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1lfv n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1lfv s VAL 18 N -2.82 5.06 -1.11 -0.18 1.01 -1.19 -4.97 120.40 116.20 1lfv s VAL 18 Ca 0.53 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 63.47 1lfv s VAL 18 Cb 0.42 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 1lfv s VAL 18 CO 0.14 0.34 1.93 -3.20 0.00 0.00 0.00 175.10 174.30 1lfv n ASN 19 N 3.38 3.00 0.27 3.32 2.85 -1.26 -4.77 115.26 122.05 1lfv n ASN 19 Ca -0.05 -2.70 0.07 0.00 -0.11 0.00 0.00 54.58 51.79 1lfv n ASN 19 Cb 0.51 -1.62 0.38 0.00 1.24 0.00 0.00 39.78 40.29 1lfv n ASN 19 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1lfv h VAL 20 N 5.84 0.00 0.00 3.44 3.04 -1.94 -1.43 116.25 125.20 1lfv h VAL 20 Ca 0.26 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.92 1lfv h VAL 20 Cb 0.89 0.31 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1lfv h VAL 20 CO 1.36 0.00 -0.54 0.44 -1.01 0.00 0.00 177.57 177.83 1lfv h ASP 21 N 0.00 0.00 -0.19 3.17 3.32 -1.95 -3.38 116.42 117.38 1lfv h ASP 21 Ca 0.00 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1lfv h ASP 21 Cb 1.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1lfv h ASP 21 CO 0.00 0.82 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.91 1lfv h GLU 22 N -1.00 0.40 -0.75 3.56 4.39 -1.85 -3.24 114.58 116.09 1lfv h GLU 22 Ca -0.04 -0.18 0.12 0.00 0.34 0.00 0.00 59.36 59.61 1lfv h GLU 22 Cb 0.55 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 1lfv h GLU 22 CO -0.03 0.70 0.50 0.28 -1.16 0.00 0.00 179.01 179.30 1lfv h VAL 23 N 0.09 0.86 -0.72 3.13 2.07 -1.53 -2.39 116.25 117.76 1lfv h VAL 23 Ca 0.04 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1lfv h VAL 23 Cb 0.58 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1lfv h VAL 23 CO 0.03 0.10 0.36 1.23 0.02 0.00 0.00 177.57 179.31 1lfv h GLY 24 N 0.53 1.08 1.47 2.17 0.00 -1.74 -2.80 103.07 103.78 1lfv h GLY 24 Ca 0.36 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1lfv h GLY 24 CO -0.13 0.48 -0.80 -1.33 0.00 0.00 0.00 176.54 174.77 1lfv h GLY 25 N 1.07 0.00 0.91 4.60 0.00 -1.58 -3.28 103.07 104.78 1lfv h GLY 25 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.62 1lfv h GLY 25 CO -0.04 0.00 0.63 0.83 0.00 0.00 0.00 176.54 177.96 1lfv h GLU 26 N 0.00 1.17 0.13 4.80 4.39 -1.17 -0.12 114.58 123.78 1lfv h GLU 26 Ca -0.05 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1lfv h GLU 26 Cb 1.28 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1lfv h GLU 26 CO 0.03 0.77 -0.06 0.00 -1.16 0.00 0.00 179.01 178.59 1lfv h ALA 27 N 1.44 -0.25 -0.86 3.43 0.00 -1.63 -2.98 119.26 118.42 1lfv h ALA 27 Ca 0.39 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.48 1lfv h ALA 27 Cb 0.03 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 1lfv h ALA 27 CO -0.12 -0.24 0.12 1.25 0.00 0.00 0.00 179.25 180.26 1lfv h LEU 28 N -0.69 -0.20 0.30 0.00 7.12 -1.62 -0.81 115.31 119.41 1lfv h LEU 28 Ca -0.02 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1lfv h LEU 28 Cb 0.14 0.33 -0.03 0.00 -0.53 0.00 0.00 40.66 40.57 1lfv h LEU 28 CO 0.03 -0.20 -0.46 1.23 -0.13 0.00 0.00 178.44 178.91 1lfv h GLY 29 N 0.14 -1.04 2.00 3.75 0.00 -1.12 -2.29 103.07 104.51 1lfv h GLY 29 Ca 0.52 0.54 0.00 0.00 0.00 0.00 0.00 47.33 48.39 1lfv h GLY 29 CO -0.71 -0.31 0.00 3.21 0.00 0.00 0.00 176.54 178.73 1lfv h ARG 30 N -0.81 0.00 -0.12 4.80 3.08 -1.03 -2.80 114.38 117.50 1lfv h ARG 30 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1lfv h ARG 30 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1lfv h ARG 30 CO -0.16 0.00 -0.12 1.25 -1.07 0.00 0.00 179.97 179.87 1lfv h LEU 31 N 0.00 0.31 -1.37 3.04 5.85 -0.66 0.15 115.31 122.63 1lfv h LEU 31 Ca 0.00 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 1lfv h LEU 31 Cb 0.11 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1lfv h LEU 31 CO 0.00 0.73 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.47 1lfv h LEU 32 N -0.11 0.00 0.11 2.25 3.38 -1.34 0.16 115.31 119.77 1lfv h LEU 32 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1lfv h LEU 32 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1lfv h LEU 32 CO 0.03 0.29 -1.08 0.58 0.09 0.00 0.00 178.44 178.34 1lfv h VAL 33 N 0.00 1.26 0.00 1.22 2.07 -1.47 -3.19 116.25 116.13 1lfv h VAL 33 Ca -0.00 -2.43 -0.17 0.00 0.82 0.00 0.00 66.70 64.91 1lfv h VAL 33 Cb 0.62 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 1lfv h VAL 33 CO 0.04 0.68 -0.99 0.58 0.02 0.00 0.00 177.57 177.89 1lfv h VAL 34 N -0.42 1.03 -2.20 2.57 2.07 -0.94 -3.36 116.25 115.01 1lfv h VAL 34 Ca -0.23 -2.59 -0.57 0.00 0.82 0.00 0.00 66.70 64.14 1lfv h VAL 34 Cb 1.64 2.46 -0.41 0.00 -1.52 0.00 0.00 31.29 33.46 1lfv h VAL 34 CO 0.07 0.59 -0.76 -1.22 0.02 0.00 0.00 177.57 176.27 1lfv n TYR 35 N -3.17 3.02 -0.14 1.57 4.01 0.56 -4.99 117.16 118.02 1lfv n TYR 35 Ca -0.03 -3.97 0.04 0.00 -0.16 0.00 0.00 57.90 53.77 1lfv n TYR 35 Cb 0.86 -0.48 0.08 0.00 -0.31 0.00 0.00 39.34 39.49 1lfv n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1lfv n PRO 36 N 0.15 -0.03 -0.21 -0.72 -0.02 -1.20 -0.30 135.00 132.66 1lfv n PRO 36 Ca 0.29 0.61 0.29 0.00 -2.02 0.00 0.00 63.50 62.68 1lfv n PRO 36 Cb 0.45 -0.94 0.71 0.00 -0.02 0.00 0.00 33.50 33.71 1lfv n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1lfv h TRP 37 N 0.00 0.05 0.00 6.00 0.09 -1.92 0.16 115.95 120.32 1lfv h TRP 37 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.19 1lfv h TRP 37 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.60 1lfv h TRP 37 CO -0.27 0.01 0.00 1.79 0.09 0.00 0.00 178.44 180.06 1lfv h THR 38 N 0.03 0.00 0.00 0.12 1.35 -0.98 -0.95 112.91 112.49 1lfv h THR 38 Ca 0.46 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1lfv h THR 38 Cb 1.78 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1lfv h THR 38 CO -0.02 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.81 1lfv h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -0.87 -2.36 115.11 120.80 1lfv h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lfv h GLN 39 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1lfv h GLN 39 CO 0.00 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.03 1lfv n ARG 40 N -2.38 0.16 0.00 1.46 0.63 -0.36 -1.43 116.66 114.74 1lfv n ARG 40 Ca 0.00 0.06 0.01 0.00 -0.92 0.00 0.00 57.85 57.00 1lfv n ARG 40 Cb 0.15 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 31.56 1lfv n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1lfv n PHE 41 N -1.07 0.00 -2.97 -0.14 3.01 -0.89 -4.74 117.46 110.67 1lfv n PHE 41 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.29 1lfv n PHE 41 Cb 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1lfv n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1lfv n PHE 42 N -0.57 2.05 0.73 1.38 3.01 -0.51 -4.81 117.46 118.73 1lfv n PHE 42 Ca 0.01 -3.70 0.12 0.00 1.01 0.00 0.00 57.45 54.89 1lfv n PHE 42 Cb 0.03 -0.41 0.27 0.00 -0.01 0.00 0.00 39.48 39.36 1lfv n PHE 42 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1lfv n GLU 43 N -0.03 0.19 -0.06 -1.08 1.02 -1.23 -3.45 120.64 115.99 1lfv n GLU 43 Ca 0.27 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.59 1lfv n GLU 43 Cb 0.58 -1.64 0.42 0.00 -0.02 0.00 0.00 31.44 30.78 1lfv n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1lfv n SER 44 N -1.92 1.47 -0.00 1.62 3.41 -1.26 -4.00 113.62 112.94 1lfv n SER 44 Ca 0.04 -1.65 -0.07 0.00 -0.26 0.00 0.00 58.87 56.94 1lfv n SER 44 Cb 0.40 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.14 1lfv n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1lfv h PHE 45 N 2.00 0.00 0.00 7.33 0.05 -1.95 -3.51 116.94 120.86 1lfv h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1lfv h PHE 45 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.39 1lfv h PHE 45 CO 0.08 0.95 0.00 0.41 -0.18 0.00 0.00 178.31 179.57 1lfv n GLY 46 N 1.50 0.50 3.64 -1.45 0.00 -1.26 -4.67 105.19 103.46 1lfv n GLY 46 Ca -0.13 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1lfv n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lfv s ASP 47 N -4.00 6.81 -0.22 1.61 3.68 -1.26 -4.85 116.67 118.44 1lfv s ASP 47 Ca 0.00 1.28 0.13 0.00 2.13 0.00 0.00 52.55 56.09 1lfv s ASP 47 Cb 0.00 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.38 1lfv s ASP 47 CO 0.00 -0.95 1.19 0.18 0.13 0.00 0.00 175.17 175.72 1lfv n LEU 48 N 7.17 3.09 -0.04 -1.34 4.77 -1.26 -4.04 117.00 125.35 1lfv n LEU 48 Ca 0.14 -3.81 -0.14 0.00 -0.03 0.00 0.00 56.01 52.16 1lfv n LEU 48 Cb 0.46 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1lfv n LEU 48 CO 0.60 1.48 0.51 -1.28 -1.33 0.00 0.00 177.39 177.37 1lfv h SER 49 N 1.64 0.41 -2.38 -1.43 0.87 -1.93 -3.46 113.55 107.27 1lfv h SER 49 Ca 0.08 -0.57 -0.56 0.00 -1.23 0.00 0.00 61.79 59.51 1lfv h SER 49 Cb 1.36 -0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 63.06 1lfv h SER 49 CO 0.31 0.90 -0.66 0.42 -0.53 0.00 0.00 176.83 177.28 1lfv s THR 50 N -3.96 1.87 0.32 2.23 -4.23 -1.26 -5.03 115.64 105.58 1lfv s THR 50 Ca -0.14 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.28 1lfv s THR 50 Cb 0.05 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.37 1lfv s THR 50 CO 0.77 -0.18 1.85 1.55 -0.54 0.00 0.00 174.62 178.07 1lfv h PRO 51 N 2.07 0.58 -0.75 3.99 0.13 -1.99 -2.29 132.00 133.75 1lfv h PRO 51 Ca -0.42 -0.13 0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1lfv h PRO 51 Cb 1.24 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1lfv h PRO 51 CO 0.71 0.60 0.49 -0.44 -0.23 0.00 0.00 178.00 179.14 1lfv h ASP 52 N 0.55 0.82 0.47 1.44 3.32 -1.95 0.49 116.42 121.55 1lfv h ASP 52 Ca 0.12 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1lfv h ASP 52 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1lfv h ASP 52 CO 0.01 0.58 -0.64 0.00 -1.72 0.00 0.00 179.24 177.47 1lfv h ALA 53 N 1.55 0.84 0.05 3.45 0.00 -1.74 -3.17 119.26 120.25 1lfv h ALA 53 Ca 0.29 -0.57 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 1lfv h ALA 53 Cb -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.69 1lfv h ALA 53 CO -0.07 0.77 -0.98 0.28 0.00 0.00 0.00 179.25 179.25 1lfv h VAL 54 N 0.12 1.33 0.00 0.00 2.07 -0.74 -1.84 116.25 117.19 1lfv h VAL 54 Ca -0.01 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1lfv h VAL 54 Cb 1.16 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1lfv h VAL 54 CO 0.09 0.69 0.00 0.23 0.02 0.00 0.00 177.57 178.61 1lfv n MET 55 N -3.95 0.91 0.00 1.57 2.00 0.16 -3.20 117.12 114.61 1lfv n MET 55 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.58 1lfv n MET 55 Cb 0.86 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.87 1lfv n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1lfv n GLY 56 N 0.35 0.00 3.58 3.03 0.00 -1.21 -4.99 105.19 105.95 1lfv n GLY 56 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 1lfv n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lfv n ASN 57 N -0.21 2.67 0.30 1.61 2.85 -0.70 -4.80 115.26 116.98 1lfv n ASN 57 Ca 0.00 0.69 0.16 0.00 -0.11 0.00 0.00 54.58 55.32 1lfv n ASN 57 Cb 0.00 -1.29 0.94 0.00 1.24 0.00 0.00 39.78 40.67 1lfv n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1lfv h PRO 58 N 10.69 0.00 -0.26 1.20 0.11 -1.91 -1.50 132.00 140.33 1lfv h PRO 58 Ca -0.38 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1lfv h PRO 58 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1lfv h PRO 58 CO 0.98 0.02 -0.18 0.87 -0.21 0.00 0.00 178.00 179.48 1lfv h LYS 59 N 0.00 0.46 0.03 1.05 1.79 -1.87 -3.05 116.57 114.99 1lfv h LYS 59 Ca -0.00 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1lfv h LYS 59 Cb 0.05 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1lfv h LYS 59 CO 0.00 0.63 -0.02 0.28 -1.08 0.00 0.00 179.45 179.27 1lfv h VAL 60 N 0.42 1.36 0.00 0.50 2.07 -1.62 -2.71 116.25 116.27 1lfv h VAL 60 Ca 0.07 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1lfv h VAL 60 Cb 0.56 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1lfv h VAL 60 CO 0.04 0.33 0.00 2.29 0.02 0.00 0.00 177.57 180.25 1lfv n LYS 61 N -4.84 0.41 -0.09 1.57 2.85 -1.19 -0.88 118.16 116.00 1lfv n LYS 61 Ca -0.09 0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.12 1lfv n LYS 61 Cb 0.29 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.03 1lfv n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1lfv n ALA 62 N -1.07 1.56 0.09 0.58 0.00 -1.15 -3.74 120.51 116.77 1lfv n ALA 62 Ca 0.10 -1.17 -0.23 0.00 0.00 0.00 0.00 53.44 52.13 1lfv n ALA 62 Cb 0.07 -0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.24 1lfv n ALA 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1lfv h HIS 63 N 0.00 0.78 0.00 0.00 -0.00 -1.02 -3.14 115.15 111.77 1lfv h HIS 63 Ca -0.48 -0.57 -0.05 0.00 -0.00 0.00 0.00 60.37 59.27 1lfv h HIS 63 Cb 2.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 29.47 1lfv h HIS 63 CO 0.00 1.65 -0.22 0.78 -0.00 0.00 0.00 177.93 180.14 1lfv h GLY 64 N 0.52 0.00 1.63 5.26 0.00 -1.19 -0.86 103.07 108.44 1lfv h GLY 64 Ca -0.33 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1lfv h GLY 64 CO 0.20 0.00 -0.16 1.70 0.00 0.00 0.00 176.54 178.28 1lfv h LYS 65 N 0.00 0.44 0.00 4.80 1.63 -1.64 -2.05 116.57 119.75 1lfv h LYS 65 Ca -0.00 -0.13 -0.22 0.00 -0.85 0.00 0.00 60.65 59.45 1lfv h LYS 65 Cb 0.42 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1lfv h LYS 65 CO 0.03 0.59 -1.16 0.87 -3.45 0.00 0.00 179.45 176.33 1lfv h LYS 66 N 0.41 0.00 0.38 1.90 1.79 -1.24 -3.26 116.57 116.54 1lfv h LYS 66 Ca 0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1lfv h LYS 66 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1lfv h LYS 66 CO 0.03 0.78 -0.18 0.28 -1.08 0.00 0.00 179.45 179.28 1lfv h VAL 67 N 0.00 0.62 -0.86 0.50 2.07 -0.94 -2.71 116.25 114.94 1lfv h VAL 67 Ca -0.09 -0.32 0.25 0.00 0.82 0.00 0.00 66.70 67.36 1lfv h VAL 67 Cb 1.79 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1lfv h VAL 67 CO 0.11 0.06 0.62 0.25 0.02 0.00 0.00 177.57 178.63 1lfv h LEU 68 N -0.69 0.00 0.96 2.57 6.46 -1.49 -1.51 115.31 121.60 1lfv h LEU 68 Ca -0.05 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 1lfv h LEU 68 Cb 0.49 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1lfv h LEU 68 CO 0.09 0.00 -0.46 1.23 -0.62 0.00 0.00 178.44 178.68 1lfv h GLY 69 N 0.00 -1.34 -0.68 3.75 0.00 -1.52 -2.05 103.07 101.22 1lfv h GLY 69 Ca 0.41 0.50 0.37 0.00 0.00 0.00 0.00 47.33 48.61 1lfv h GLY 69 CO -0.00 -0.49 0.98 0.00 0.00 0.00 0.00 176.54 177.03 1lfv h ALA 70 N -1.24 3.21 0.19 3.60 0.00 -1.23 0.29 119.26 124.07 1lfv h ALA 70 Ca -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1lfv h ALA 70 Cb 0.99 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1lfv h ALA 70 CO 0.22 -1.64 -0.09 0.74 0.00 0.00 0.00 179.25 178.47 1lfv h PHE 71 N 0.00 -0.24 -0.60 0.00 -1.00 -1.39 0.49 116.94 114.20 1lfv h PHE 71 Ca 0.61 -0.01 0.15 0.00 2.81 0.00 0.00 57.97 61.54 1lfv h PHE 71 Cb 2.56 0.08 -0.03 0.00 3.61 0.00 0.00 35.95 42.17 1lfv h PHE 71 CO 0.00 0.14 0.42 0.77 -1.61 0.00 0.00 178.31 178.03 1lfv h SER 72 N -0.94 0.14 0.28 2.17 0.02 -0.28 2.03 113.55 116.98 1lfv h SER 72 Ca -0.03 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1lfv h SER 72 Cb 0.48 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1lfv h SER 72 CO 0.04 0.08 -0.14 -0.78 -1.14 0.00 0.00 176.83 174.89 1lfv h ASP 73 N 0.15 -0.32 -0.45 3.07 1.82 -0.43 -2.57 116.42 117.69 1lfv h ASP 73 Ca 0.29 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1lfv h ASP 73 Cb 0.93 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1lfv h ASP 73 CO -0.04 0.14 0.14 1.23 -1.61 0.00 0.00 179.24 179.10 1lfv h GLY 74 N -0.91 0.82 2.00 -0.78 0.00 0.16 -1.53 103.07 102.83 1lfv h GLY 74 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1lfv h GLY 74 CO 0.06 0.43 0.00 -2.00 0.00 0.00 0.00 176.54 175.03 1lfv h LEU 75 N 0.74 0.00 -3.38 3.11 5.85 0.32 0.14 115.31 122.09 1lfv h LEU 75 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1lfv h LEU 75 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1lfv h LEU 75 CO -0.00 0.00 0.01 0.00 -0.34 0.00 0.00 178.44 178.11 1lfv n ALA 76 N -1.89 3.39 -2.50 1.25 0.00 -0.59 -4.40 120.51 115.77 1lfv n ALA 76 Ca -0.01 -2.23 -0.03 0.00 0.00 0.00 0.00 53.44 51.17 1lfv n ALA 76 Cb 0.13 -0.86 0.06 0.00 0.00 0.00 0.00 19.45 18.77 1lfv n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfv n HIS 77 N -0.19 -0.99 -0.25 0.00 8.25 0.44 -4.98 115.22 117.50 1lfv n HIS 77 Ca 0.25 -1.37 0.05 0.00 -0.26 0.00 0.00 57.72 56.38 1lfv n HIS 77 Cb 1.02 0.96 0.18 0.00 1.12 0.00 0.00 29.99 33.26 1lfv n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lfv h LEU 78 N 0.93 0.21 -0.10 2.41 3.38 -1.62 0.68 115.31 121.20 1lfv h LEU 78 Ca -0.43 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1lfv h LEU 78 Cb 1.36 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1lfv h LEU 78 CO -0.15 0.07 0.18 -0.67 0.09 0.00 0.00 178.44 177.96 1lfv n ASP 79 N -5.04 0.04 -3.01 -0.43 4.64 -1.26 -3.60 116.55 107.89 1lfv n ASP 79 Ca 0.14 0.35 -0.01 0.00 -1.38 0.00 0.00 54.79 53.89 1lfv n ASP 79 Cb 0.41 -0.35 -0.00 0.00 -1.04 0.00 0.00 41.12 40.14 1lfv n ASP 79 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 1lfv s ASN 80 N -2.74 -1.36 0.25 1.67 2.47 0.23 -4.98 114.94 110.48 1lfv s ASN 80 Ca -0.00 -1.00 0.22 0.00 0.42 0.00 0.00 52.86 52.50 1lfv s ASN 80 Cb 0.00 1.75 0.07 0.00 -1.45 0.00 0.00 41.25 41.63 1lfv s ASN 80 CO 0.01 -0.12 1.17 -0.07 -3.72 0.00 0.00 177.10 174.38 1lfv h LEU 81 N 6.14 0.00 0.20 3.21 4.07 -1.61 -3.31 115.31 124.00 1lfv h LEU 81 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1lfv h LEU 81 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1lfv h LEU 81 CO 0.05 0.01 -0.09 0.11 -1.08 0.00 0.00 178.44 177.44 1lfv h LYS 82 N 0.00 -0.25 0.03 1.13 6.56 -1.92 -2.94 116.57 119.18 1lfv h LYS 82 Ca -0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1lfv h LYS 82 Cb 1.01 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.72 1lfv h LYS 82 CO 0.00 0.15 -0.04 0.78 -2.06 0.00 0.00 179.45 178.28 1lfv h GLY 83 N -0.79 -0.06 0.74 3.86 0.00 -1.98 -2.43 103.07 102.41 1lfv h GLY 83 Ca -0.03 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.44 1lfv h GLY 83 CO 0.04 -0.04 0.58 -0.84 0.00 0.00 0.00 176.54 176.28 1lfv h THR 84 N -0.08 0.99 -0.24 4.70 2.02 -1.68 -2.74 112.91 115.88 1lfv h THR 84 Ca 0.01 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1lfv h THR 84 Cb 0.08 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1lfv h THR 84 CO -0.02 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1lfv n PHE 85 N -4.52 0.30 -0.25 3.16 3.01 -1.11 -4.47 117.46 113.58 1lfv n PHE 85 Ca 0.15 -0.15 0.03 0.00 1.01 0.00 0.00 57.45 58.49 1lfv n PHE 85 Cb 0.29 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.87 1lfv n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lfv h ALA 86 N 4.32 0.61 0.55 4.37 0.00 -1.11 0.24 119.26 128.24 1lfv h ALA 86 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1lfv h ALA 86 Cb 0.74 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1lfv h ALA 86 CO 0.00 -0.42 -0.26 1.15 0.00 0.00 0.00 179.25 179.72 1lfv h THR 87 N 0.04 0.45 0.00 0.00 2.02 -1.82 -2.57 112.91 111.04 1lfv h THR 87 Ca 0.38 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 1lfv h THR 87 Cb 0.62 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1lfv h THR 87 CO -0.71 0.01 -0.10 -0.07 0.37 0.00 0.00 175.52 175.02 1lfv h LEU 88 N -0.78 0.00 -0.20 2.58 3.38 -1.70 -2.24 115.31 116.35 1lfv h LEU 88 Ca -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1lfv h LEU 88 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1lfv h LEU 88 CO 0.12 0.10 -0.22 -1.28 0.09 0.00 0.00 178.44 177.26 1lfv h SER 89 N 0.00 0.54 -0.32 -0.43 0.87 -0.38 -1.24 113.55 112.59 1lfv h SER 89 Ca -0.00 -0.49 -0.05 0.00 -1.23 0.00 0.00 61.79 60.02 1lfv h SER 89 Cb 0.25 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1lfv h SER 89 CO 0.01 0.92 0.06 -0.33 -0.53 0.00 0.00 176.83 176.96 1lfv h GLU 90 N 0.17 0.63 0.41 2.24 5.08 -1.02 -2.33 114.58 119.75 1lfv h GLU 90 Ca 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1lfv h GLU 90 Cb 0.77 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1lfv h GLU 90 CO 0.05 0.61 -0.20 1.25 -1.00 0.00 0.00 179.01 179.73 1lfv h LEU 91 N 0.61 -0.47 -1.23 1.33 5.85 -1.28 -2.18 115.31 117.94 1lfv h LEU 91 Ca 0.13 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1lfv h LEU 91 Cb 0.30 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1lfv h LEU 91 CO 0.00 -0.13 0.00 0.45 -0.34 0.00 0.00 178.44 178.43 1lfv h HIS 92 N -0.84 0.00 0.00 1.25 3.86 -1.23 -1.55 115.15 116.64 1lfv h HIS 92 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1lfv h HIS 92 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1lfv h HIS 92 CO 0.01 0.00 -0.32 0.00 0.86 0.00 0.00 177.93 178.48 1lfv n ASP 94 N -3.14 3.25 0.00 0.00 9.92 -0.82 -2.55 116.55 123.21 1lfv n ASP 94 Ca -0.04 -2.57 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 1lfv n ASP 94 Cb 0.17 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 1lfv n ASP 94 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1lfv n LYS 95 N -0.08 0.00 -0.09 -1.24 4.76 -1.21 -4.94 118.16 115.36 1lfv n LYS 95 Ca 0.21 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.54 1lfv n LYS 95 Cb 0.91 -0.07 -0.15 0.00 -1.84 0.00 0.00 35.03 33.89 1lfv n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1lfv n LEU 96 N -1.89 0.72 -1.77 -0.35 4.77 -0.59 -5.01 117.00 112.88 1lfv n LEU 96 Ca 0.00 0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1lfv n LEU 96 Cb 0.00 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1lfv n LEU 96 CO 0.00 0.57 -0.20 1.41 -1.33 0.00 0.00 177.39 177.84 1lfv n HIS 97 N -2.90 -0.70 -2.27 -1.77 8.25 -0.47 -4.95 115.22 110.41 1lfv n HIS 97 Ca -0.33 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.75 1lfv n HIS 97 Cb 1.11 -3.23 -0.02 0.00 1.12 0.00 0.00 29.99 28.98 1lfv n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1lfv s VAL 98 N -2.78 3.10 0.09 1.59 1.01 -0.45 -4.98 120.40 117.99 1lfv s VAL 98 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1lfv s VAL 98 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1lfv s VAL 98 CO 0.00 0.09 0.95 -0.62 0.00 0.00 0.00 175.10 175.51 1lfv s ASP 99 N -1.10 7.46 0.53 3.32 3.68 -1.26 -4.77 116.67 124.52 1lfv s ASP 99 Ca 0.57 1.75 0.25 0.00 2.13 0.00 0.00 52.55 57.25 1lfv s ASP 99 Cb -0.31 -2.58 1.35 0.00 -1.45 0.00 0.00 42.92 39.93 1lfv s ASP 99 CO 0.39 -0.09 1.73 1.55 0.13 0.00 0.00 175.17 178.88 1lfv h PRO 100 N 5.75 0.00 0.00 4.34 0.13 -1.96 -0.23 132.00 140.03 1lfv h PRO 100 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1lfv h PRO 100 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1lfv h PRO 100 CO 0.72 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.58 1lfv n GLU 101 N -2.59 0.19 0.00 0.86 4.07 -1.26 -2.54 120.64 119.37 1lfv n GLU 101 Ca -0.02 0.36 0.13 0.00 -0.06 0.00 0.00 57.16 57.58 1lfv n GLU 101 Cb 0.32 -1.82 0.35 0.00 -0.06 0.00 0.00 31.44 30.23 1lfv n GLU 101 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1lfv n ASN 102 N -2.16 1.85 0.08 4.31 5.03 -0.10 -3.48 115.26 120.79 1lfv n ASN 102 Ca 0.03 -1.53 0.11 0.00 0.87 0.00 0.00 54.58 54.06 1lfv n ASN 102 Cb 0.26 0.06 0.02 0.00 -1.02 0.00 0.00 39.78 39.10 1lfv n ASN 102 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1lfv n PHE 103 N 0.33 0.75 0.08 3.10 3.72 -1.05 -3.19 117.46 121.21 1lfv n PHE 103 Ca 0.16 0.22 -0.18 0.00 -0.05 0.00 0.00 57.45 57.60 1lfv n PHE 103 Cb 0.43 -0.82 -0.14 0.00 -0.94 0.00 0.00 39.48 38.01 1lfv n PHE 103 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lfv h ARG 104 N 0.00 0.29 -0.77 -1.08 3.08 -1.67 -2.75 114.38 111.48 1lfv h ARG 104 Ca 0.00 -0.50 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 1lfv h ARG 104 Cb 0.93 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1lfv h ARG 104 CO 0.00 1.19 0.26 -0.07 -1.07 0.00 0.00 179.97 180.27 1lfv h LEU 105 N 0.08 1.10 -0.44 3.04 3.38 -1.63 -2.21 115.31 118.63 1lfv h LEU 105 Ca -0.22 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 1lfv h LEU 105 Cb 2.02 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 1lfv h LEU 105 CO 0.19 1.01 -0.63 0.25 0.09 0.00 0.00 178.44 179.34 1lfv h LEU 106 N 1.13 0.62 -1.30 1.67 5.85 -1.62 -1.97 115.31 119.69 1lfv h LEU 106 Ca 0.25 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1lfv h LEU 106 Cb 0.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1lfv h LEU 106 CO -0.01 1.09 -0.35 1.23 -0.34 0.00 0.00 178.44 180.06 1lfv h GLY 107 N 1.07 0.00 1.33 3.75 0.00 -1.30 -2.14 103.07 105.78 1lfv h GLY 107 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 1lfv h GLY 107 CO 0.12 0.00 -1.46 3.43 0.00 0.00 0.00 176.54 178.63 1lfv h ASN 108 N 0.00 0.51 0.48 0.19 -0.26 -1.32 -2.73 115.58 112.45 1lfv h ASN 108 Ca -0.00 -0.63 -0.06 0.00 -0.56 0.00 0.00 56.30 55.05 1lfv h ASN 108 Cb 0.63 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1lfv h ASN 108 CO 0.05 1.51 -0.27 -0.37 -1.06 0.00 0.00 177.43 177.29 1lfv h VAL 109 N 0.09 0.91 -0.17 2.81 -1.51 -1.27 -1.61 116.25 115.50 1lfv h VAL 109 Ca -0.22 -1.03 -0.04 0.00 -1.23 0.00 0.00 66.70 64.17 1lfv h VAL 109 Cb 2.04 1.61 -0.00 0.00 -2.13 0.00 0.00 31.29 32.80 1lfv h VAL 109 CO 0.20 0.26 -0.05 0.25 -1.23 0.00 0.00 177.57 177.00 1lfv h LEU 110 N 0.00 0.34 -2.10 4.19 6.46 -1.37 -1.62 115.31 121.21 1lfv h LEU 110 Ca -0.00 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.40 1lfv h LEU 110 Cb 0.58 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1lfv h LEU 110 CO 0.03 0.64 0.06 0.58 -0.62 0.00 0.00 178.44 179.14 1lfv h VAL 111 N 0.03 0.85 0.01 1.05 2.07 -1.08 -0.01 116.25 119.17 1lfv h VAL 111 Ca 0.04 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.37 1lfv h VAL 111 Cb 0.50 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1lfv h VAL 111 CO 0.02 0.00 -0.92 0.00 0.02 0.00 0.00 177.57 176.69 1lfv h VAL 113 N 0.02 1.30 -0.16 0.00 2.07 -0.07 -2.03 116.25 117.37 1lfv h VAL 113 Ca -0.02 -1.88 -0.13 0.00 0.82 0.00 0.00 66.70 65.49 1lfv h VAL 113 Cb 1.61 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1lfv h VAL 113 CO 0.12 0.59 -0.47 -0.07 0.02 0.00 0.00 177.57 177.77 1lfv h LEU 114 N 0.53 0.45 -1.05 2.57 3.38 -1.24 -0.20 115.31 119.76 1lfv h LEU 114 Ca -0.01 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1lfv h LEU 114 Cb 1.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1lfv h LEU 114 CO 0.13 0.85 -0.44 0.00 0.09 0.00 0.00 178.44 179.07 1lfv h ALA 115 N 1.16 1.14 0.15 1.53 0.00 -1.22 -1.94 119.26 120.08 1lfv h ALA 115 Ca 0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1lfv h ALA 115 Cb 0.95 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.69 1lfv h ALA 115 CO 0.08 0.56 -0.89 1.25 0.00 0.00 0.00 179.25 180.25 1lfv h HIS 116 N 0.00 0.61 0.00 0.00 -0.00 -1.10 -2.19 115.15 112.47 1lfv h HIS 116 Ca -0.00 -0.44 -0.03 0.00 -0.00 0.00 0.00 60.37 59.90 1lfv h HIS 116 Cb 0.85 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1lfv h HIS 116 CO 0.00 1.34 -0.12 0.45 -0.00 0.00 0.00 177.93 179.59 1lfv h HIS 117 N -0.29 0.00 0.00 5.26 -0.00 -1.00 -3.29 115.15 115.84 1lfv h HIS 117 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.22 1lfv h HIS 117 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.10 1lfv h HIS 117 CO 0.19 0.12 0.00 1.19 -0.00 0.00 0.00 177.93 179.43 1lfv n PHE 118 N -3.17 0.00 0.00 2.45 3.01 -0.74 -5.07 117.46 113.95 1lfv n PHE 118 Ca 0.02 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.09 1lfv n PHE 118 Cb 0.50 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1lfv n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lfv n GLY 119 N -0.39 1.24 0.43 1.37 0.00 -0.82 -0.76 105.19 106.26 1lfv n GLY 119 Ca 0.00 0.04 0.24 0.00 0.00 0.00 0.00 46.02 46.30 1lfv n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lfv h LYS 120 N 0.00 0.31 -0.36 1.61 1.57 -1.96 0.15 116.57 117.89 1lfv h LYS 120 Ca 0.00 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1lfv h LYS 120 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1lfv h LYS 120 CO 0.00 0.20 0.35 0.93 -0.57 0.00 0.00 179.45 180.36 1lfv h GLU 121 N 0.32 0.00 -3.67 3.15 5.08 -1.34 -3.18 114.58 114.93 1lfv h GLU 121 Ca 0.56 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 58.22 1lfv h GLU 121 Cb 1.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 1lfv h GLU 121 CO -0.22 0.00 3.29 0.34 -1.00 0.00 0.00 179.01 181.42 1lfv n PHE 122 N -3.91 3.18 -1.26 4.33 7.35 0.53 -4.98 117.46 122.71 1lfv n PHE 122 Ca 0.06 -3.00 -0.32 0.00 -0.76 0.00 0.00 57.45 53.42 1lfv n PHE 122 Cb 0.52 -2.51 0.10 0.00 0.35 0.00 0.00 39.48 37.95 1lfv n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfv s THR 123 N 2.72 2.67 0.19 -2.13 -4.23 -1.20 -4.81 115.64 108.84 1lfv s THR 123 Ca 0.53 0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 61.14 1lfv s THR 123 Cb 0.15 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.48 1lfv s THR 123 CO -0.08 -0.24 1.62 -0.65 -0.54 0.00 0.00 174.62 174.74 1lfv h PRO 124 N -0.86 -0.08 -0.17 3.99 0.11 -1.93 -0.05 132.00 133.01 1lfv h PRO 124 Ca -0.45 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1lfv h PRO 124 Cb 1.26 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1lfv h PRO 124 CO 0.49 -0.05 0.13 -1.35 -0.21 0.00 0.00 178.00 177.00 1lfv h PRO 125 N -0.08 0.00 -0.14 1.05 0.11 -1.98 -0.03 132.00 130.92 1lfv h PRO 125 Ca 0.24 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 1lfv h PRO 125 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1lfv h PRO 125 CO -0.57 0.00 -0.47 0.28 -0.21 0.00 0.00 178.00 177.03 1lfv h VAL 126 N 0.00 1.33 0.38 3.15 2.07 -1.36 -2.83 116.25 118.99 1lfv h VAL 126 Ca 0.08 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1lfv h VAL 126 Cb 0.34 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1lfv h VAL 126 CO -0.00 0.51 -0.18 -0.61 0.02 0.00 0.00 177.57 177.30 1lfv h GLN 127 N 0.28 -0.50 0.00 1.57 4.15 -0.58 -2.43 115.11 117.61 1lfv h GLN 127 Ca 0.02 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1lfv h GLN 127 Cb 0.94 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1lfv h GLN 127 CO 0.08 -0.24 0.44 0.00 -1.93 0.00 0.00 178.83 177.17 1lfv h ALA 128 N -0.91 1.40 0.03 3.38 0.00 -1.14 0.49 119.26 122.50 1lfv h ALA 128 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1lfv h ALA 128 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1lfv h ALA 128 CO 0.09 -0.40 -0.82 0.00 0.00 0.00 0.00 179.25 178.12 1lfv h ALA 129 N 1.06 0.14 -0.31 0.00 0.00 -1.40 -3.28 119.26 115.46 1lfv h ALA 129 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 54.91 53.90 1lfv h ALA 129 Cb 0.87 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1lfv h ALA 129 CO 0.00 0.46 -0.22 1.88 0.00 0.00 0.00 179.25 181.37 1lfv h TYR 130 N -0.83 0.66 -0.77 0.00 0.05 -0.16 -2.54 116.97 113.39 1lfv h TYR 130 Ca -0.20 -0.14 0.06 0.00 0.05 0.00 0.00 58.73 58.50 1lfv h TYR 130 Cb 1.30 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.83 1lfv h TYR 130 CO 0.17 0.77 0.50 1.96 -1.05 0.00 0.00 178.16 180.51 1lfv h GLN 131 N 0.53 0.80 -0.37 4.88 1.08 -0.35 0.11 115.11 121.78 1lfv h GLN 131 Ca 0.08 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1lfv h GLN 131 Cb 0.66 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1lfv h GLN 131 CO 0.05 0.53 0.01 0.87 -0.95 0.00 0.00 178.83 179.34 1lfv h LYS 132 N 0.83 0.65 0.22 1.46 1.57 -1.52 -1.71 116.57 118.07 1lfv h LYS 132 Ca 0.33 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1lfv h LYS 132 Cb 0.23 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1lfv h LYS 132 CO -0.11 0.75 -0.11 0.28 -0.57 0.00 0.00 179.45 179.69 1lfv h VAL 133 N 0.47 0.82 -0.35 0.50 2.07 -1.09 -0.11 116.25 118.57 1lfv h VAL 133 Ca 0.11 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.48 1lfv h VAL 133 Cb 0.45 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 1lfv h VAL 133 CO 0.02 0.05 -0.16 0.58 0.02 0.00 0.00 177.57 178.08 1lfv h VAL 134 N -0.41 0.51 -0.30 2.57 2.07 -0.84 -0.26 116.25 119.59 1lfv h VAL 134 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1lfv h VAL 134 Cb 0.31 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1lfv h VAL 134 CO 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.59 1lfv h ALA 135 N 1.18 0.23 -0.35 1.67 0.00 -1.17 0.16 119.26 120.98 1lfv h ALA 135 Ca 0.18 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1lfv h ALA 135 Cb 0.37 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1lfv h ALA 135 CO -0.41 -0.44 0.24 0.78 0.00 0.00 0.00 179.25 179.41 1lfv h GLY 136 N 0.03 0.33 1.13 0.00 0.00 0.20 -2.05 103.07 102.72 1lfv h GLY 136 Ca 0.15 -0.11 -0.25 0.00 0.00 0.00 0.00 47.33 47.11 1lfv h GLY 136 CO -0.29 0.09 -1.02 -2.08 0.00 0.00 0.00 176.54 173.25 1lfv h VAL 137 N 0.28 1.31 0.00 4.60 2.07 0.30 -3.15 116.25 121.66 1lfv h VAL 137 Ca 0.15 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1lfv h VAL 137 Cb 0.25 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1lfv h VAL 137 CO -0.03 0.69 0.00 0.00 0.02 0.00 0.00 177.57 178.25 1lfv n ALA 138 N -2.65 1.43 0.34 1.67 0.00 0.44 -1.99 120.51 119.75 1lfv n ALA 138 Ca -0.12 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1lfv n ALA 138 Cb 0.87 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1lfv n ALA 138 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lfv n ASN 139 N -1.79 0.41 -0.06 0.00 3.02 -0.91 -3.69 115.26 112.23 1lfv n ASN 139 Ca 0.02 -0.24 -0.10 0.00 -0.03 0.00 0.00 54.58 54.22 1lfv n ASN 139 Cb 0.13 1.43 -0.09 0.00 -0.61 0.00 0.00 39.78 40.63 1lfv n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lfv h ALA 140 N 2.33 -0.00 -0.81 5.41 0.00 -1.39 -2.90 119.26 121.90 1lfv h ALA 140 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1lfv h ALA 140 Cb 0.83 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1lfv h ALA 140 CO 0.00 -0.00 0.53 -0.07 0.00 0.00 0.00 179.25 179.71 1lfv h LEU 141 N -1.00 0.83 0.00 0.00 3.38 -1.75 0.23 115.31 117.00 1lfv h LEU 141 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lfv h LEU 141 Cb 0.71 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1lfv h LEU 141 CO 0.00 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1lfv n ALA 142 N -2.42 2.12 -0.14 1.53 0.00 -1.24 -3.90 120.51 116.46 1lfv n ALA 142 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1lfv n ALA 142 Cb 0.16 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.28 1lfv n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1lfv h HIS 143 N 0.00 0.42 0.00 0.00 6.17 -0.32 -2.55 115.15 118.87 1lfv h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1lfv h HIS 143 Cb 0.27 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.08 1lfv h HIS 143 CO 0.00 0.21 0.00 1.63 0.71 0.00 0.00 177.93 180.48 1lfv n LYS 144 N -4.90 0.00 -0.23 5.26 4.76 -1.25 -2.93 118.16 118.87 1lfv n LYS 144 Ca 0.03 0.27 -0.03 0.00 -2.87 0.00 0.00 58.31 55.71 1lfv n LYS 144 Cb 0.11 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.85 1lfv n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1lfv n TYR 145 N -1.27 0.57 -0.35 2.13 4.01 -0.96 -4.99 117.16 116.30 1lfv n TYR 145 Ca 0.00 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 1lfv n TYR 145 Cb 0.00 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 1lfv n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12