#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yff s LEU 2 N 0.00 4.32 0.43 7.52 1.43 -1.26 -5.08 118.68 126.04 1yff s LEU 2 Ca 0.00 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1yff s LEU 2 Cb 0.00 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1yff s LEU 2 CO 0.00 0.14 0.67 -0.94 0.23 0.00 0.00 176.35 176.45 1yff s SER 3 N -1.90 6.02 0.53 2.29 1.04 -1.26 -4.94 113.70 115.48 1yff s SER 3 Ca 0.35 0.47 0.25 0.00 0.48 0.00 0.00 55.95 57.50 1yff s SER 3 Cb -0.13 -1.81 1.49 0.00 0.10 0.00 0.00 66.02 65.67 1yff s SER 3 CO 0.19 -0.59 2.13 -0.65 0.98 0.00 0.00 173.24 175.30 1yff h PRO 4 N 0.43 0.00 0.00 4.02 0.11 -2.00 -1.60 132.00 132.97 1yff h PRO 4 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1yff h PRO 4 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1yff h PRO 4 CO 0.59 0.08 -0.75 0.00 -0.21 0.00 0.00 178.00 177.72 1yff h ALA 5 N 1.92 0.58 -0.12 -0.75 0.00 -2.00 -2.83 119.26 116.06 1yff h ALA 5 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1yff h ALA 5 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1yff h ALA 5 CO 0.01 0.94 -0.31 -0.44 0.00 0.00 0.00 179.25 179.45 1yff h ASP 6 N 0.00 0.48 -0.43 0.00 3.32 -1.70 -2.74 116.42 115.34 1yff h ASP 6 Ca -0.01 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 1yff h ASP 6 Cb 1.49 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1yff h ASP 6 CO 0.10 0.98 0.24 0.11 -1.72 0.00 0.00 179.24 178.95 1yff h LYS 7 N -0.00 0.62 -0.11 3.56 1.57 -1.37 -1.42 116.57 119.42 1yff h LYS 7 Ca -0.00 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 1yff h LYS 7 Cb 0.92 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.11 1yff h LYS 7 CO 0.07 0.47 -0.79 1.15 -0.57 0.00 0.00 179.45 179.77 1yff h THR 8 N 0.63 1.29 -0.09 -0.16 2.02 -1.53 -2.35 112.91 112.73 1yff h THR 8 Ca 0.16 -2.01 -0.08 0.00 0.77 0.00 0.00 66.41 65.26 1yff h THR 8 Cb 0.03 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1yff h THR 8 CO -0.03 0.63 -0.31 0.78 0.37 0.00 0.00 175.52 176.96 1yff h ASN 9 N 0.43 0.16 -0.02 4.18 -0.26 -1.12 -1.45 115.58 117.51 1yff h ASN 9 Ca -0.07 -0.05 -0.18 0.00 -0.56 0.00 0.00 56.30 55.44 1yff h ASN 9 Cb 1.43 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 38.66 1yff h ASN 9 CO 0.16 0.48 -0.71 0.58 -1.06 0.00 0.00 177.43 176.88 1yff h VAL 10 N 0.14 1.37 -0.33 2.81 2.07 -1.26 -2.34 116.25 118.71 1yff h VAL 10 Ca 0.02 -2.08 -0.08 0.00 0.82 0.00 0.00 66.70 65.38 1yff h VAL 10 Cb 0.63 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1yff h VAL 10 CO 0.05 0.62 -0.12 0.11 0.02 0.00 0.00 177.57 178.25 1yff h LYS 11 N 0.08 0.57 0.06 1.57 1.57 -1.27 -1.01 116.57 118.14 1yff h LYS 11 Ca -0.08 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1yff h LYS 11 Cb 1.39 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1yff h LYS 11 CO 0.14 0.68 -0.03 0.00 -0.57 0.00 0.00 179.45 179.68 1yff h ALA 12 N 1.35 -0.08 -0.44 3.86 0.00 -1.30 -2.31 119.26 120.34 1yff h ALA 12 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1yff h ALA 12 Cb 0.52 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1yff h ALA 12 CO 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 179.25 178.89 1yff h ALA 13 N 0.31 0.60 0.00 0.00 0.00 -1.39 -2.95 119.26 115.83 1yff h ALA 13 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1yff h ALA 13 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1yff h ALA 13 CO 0.01 0.48 0.00 1.87 0.00 0.00 0.00 179.25 181.61 1yff n TRP 14 N -4.30 0.81 0.20 0.00 -0.00 -0.39 -2.61 117.44 111.15 1yff n TRP 14 Ca -0.01 0.27 0.09 0.00 -0.00 0.00 0.00 57.50 57.86 1yff n TRP 14 Cb 0.37 -0.93 0.17 0.00 -0.00 0.00 0.00 31.31 30.91 1yff n TRP 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1yff h GLY 15 N 3.58 0.00 0.71 5.87 0.00 -1.23 -3.07 103.07 108.93 1yff h GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yff h GLY 15 CO 0.00 0.00 -0.21 0.28 0.00 0.00 0.00 176.54 176.61 1yff n LYS 16 N -3.15 0.63 -0.06 4.80 4.76 -1.07 -3.77 118.16 120.29 1yff n LYS 16 Ca 0.03 -0.30 -0.04 0.00 -2.87 0.00 0.00 58.31 55.14 1yff n LYS 16 Cb 0.58 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 1yff n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1yff h VAL 17 N 0.72 0.34 0.00 -0.18 2.07 -1.61 -3.47 116.25 114.12 1yff h VAL 17 Ca 0.00 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1yff h VAL 17 Cb 0.44 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1yff h VAL 17 CO 0.00 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1yff n GLY 18 N 1.71 1.00 0.08 2.17 0.00 -1.23 -1.03 105.19 107.89 1yff n GLY 18 Ca -0.04 0.67 0.13 0.00 0.00 0.00 0.00 46.02 46.78 1yff n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yff n ALA 19 N 8.01 2.45 1.91 4.61 0.00 -1.26 -3.26 120.51 132.97 1yff n ALA 19 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1yff n ALA 19 Cb 0.00 -1.40 0.81 0.00 0.00 0.00 0.00 19.45 18.86 1yff n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yff n HIS 20 N -2.12 0.01 -0.23 0.00 -0.00 -0.20 -4.34 115.22 108.35 1yff n HIS 20 Ca 0.05 -0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.80 1yff n HIS 20 Cb 0.42 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.55 1yff n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yff h ALA 21 N 3.98 0.82 -0.40 -1.41 0.00 -1.68 -1.58 119.26 118.98 1yff h ALA 21 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1yff h ALA 21 Cb 0.08 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1yff h ALA 21 CO 0.00 -0.34 -0.18 0.78 0.00 0.00 0.00 179.25 179.51 1yff h GLY 22 N 0.24 0.83 0.71 0.00 0.00 -1.82 -1.98 103.07 101.05 1yff h GLY 22 Ca 0.37 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1yff h GLY 22 CO -0.49 0.62 -0.08 -2.09 0.00 0.00 0.00 176.54 174.50 1yff h GLU 23 N 0.68 0.27 -0.42 4.80 4.81 -1.77 -2.57 114.58 120.38 1yff h GLU 23 Ca 0.10 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1yff h GLU 23 Cb 0.68 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1yff h GLU 23 CO 0.05 0.64 0.07 1.88 -0.73 0.00 0.00 179.01 180.92 1yff h TYR 24 N -0.09 0.75 -0.25 0.92 0.99 -1.30 -0.69 116.97 117.29 1yff h TYR 24 Ca 0.02 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.58 1yff h TYR 24 Cb 0.57 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 38.08 1yff h TYR 24 CO 0.08 0.72 -0.16 0.78 -0.00 0.00 0.00 178.16 179.57 1yff h GLY 25 N 0.56 0.47 1.52 3.88 0.00 -1.42 -0.63 103.07 107.45 1yff h GLY 25 Ca 0.13 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.92 1yff h GLY 25 CO 0.01 0.31 -0.81 0.00 0.00 0.00 0.00 176.54 176.05 1yff h ALA 26 N 1.43 0.47 -0.33 3.60 0.00 -1.30 -2.41 119.26 120.72 1yff h ALA 26 Ca 0.07 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 1yff h ALA 26 Cb 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1yff h ALA 26 CO 0.03 0.77 -0.48 1.49 0.00 0.00 0.00 179.25 181.06 1yff h GLU 27 N 0.29 0.91 -0.70 0.00 4.81 -0.90 -1.10 114.58 117.89 1yff h GLU 27 Ca -0.05 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 58.60 1yff h GLU 27 Cb 1.42 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.81 1yff h GLU 27 CO 0.14 1.18 0.28 0.00 -0.73 0.00 0.00 179.01 179.88 1yff h ALA 28 N 0.73 0.91 -0.33 2.92 0.00 -1.10 0.17 119.26 122.56 1yff h ALA 28 Ca 0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1yff h ALA 28 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1yff h ALA 28 CO 0.11 0.53 -0.08 -0.07 0.00 0.00 0.00 179.25 179.74 1yff h LEU 29 N 1.00 0.64 -1.02 0.00 3.38 -1.37 -1.40 115.31 116.54 1yff h LEU 29 Ca 0.23 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1yff h LEU 29 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1yff h LEU 29 CO -0.02 0.86 0.03 -0.08 0.09 0.00 0.00 178.44 179.32 1yff h GLU 30 N 0.42 0.74 -0.44 1.13 4.81 -0.85 -0.38 114.58 120.01 1yff h GLU 30 Ca 0.08 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1yff h GLU 30 Cb 0.58 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1yff h GLU 30 CO 0.03 0.73 -0.10 0.00 -0.73 0.00 0.00 179.01 178.94 1yff h ARG 31 N 0.70 0.78 -0.18 1.92 3.08 -0.49 -2.31 114.38 117.88 1yff h ARG 31 Ca 0.14 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 1yff h ARG 31 Cb 0.38 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1yff h ARG 31 CO 0.01 0.86 -0.39 1.98 -1.07 0.00 0.00 179.97 181.36 1yff h MET 32 N 0.71 0.59 -0.31 0.04 4.05 -0.51 -1.53 114.93 117.97 1yff h MET 32 Ca 0.12 -0.39 -0.05 0.00 -0.28 0.00 0.00 59.70 59.10 1yff h MET 32 Cb 0.58 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 1yff h MET 32 CO 0.04 1.00 -0.02 0.74 0.23 0.00 0.00 176.91 178.90 1yff h PHE 33 N 0.25 0.49 0.13 1.39 0.04 -1.03 -0.36 116.94 117.85 1yff h PHE 33 Ca 0.00 -0.05 -0.22 0.00 2.80 0.00 0.00 57.97 60.51 1yff h PHE 33 Cb 1.00 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 39.02 1yff h PHE 33 CO 0.09 0.50 -1.02 -0.07 -0.60 0.00 0.00 178.31 177.21 1yff h LEU 34 N 0.45 0.43 -0.27 1.54 3.38 -1.42 -3.30 115.31 116.12 1yff h LEU 34 Ca 0.10 -0.91 -0.12 0.00 0.09 0.00 0.00 57.88 57.03 1yff h LEU 34 Cb 0.33 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1yff h LEU 34 CO 0.01 1.47 -0.32 0.28 0.09 0.00 0.00 178.44 179.97 1yff h SER 35 N -0.37 0.74 -3.75 -0.43 0.02 -1.25 -3.39 113.55 105.13 1yff h SER 35 Ca -0.20 -0.49 -0.62 0.00 -0.84 0.00 0.00 61.79 59.64 1yff h SER 35 Cb 1.67 -0.21 -0.40 0.00 0.14 0.00 0.00 62.40 63.60 1yff h SER 35 CO 0.11 1.08 -0.71 -0.36 -1.14 0.00 0.00 176.83 175.82 1yff s PHE 36 N -4.29 2.31 0.10 3.45 0.40 -0.15 -5.01 117.98 114.80 1yff s PHE 36 Ca -0.12 -2.63 0.31 0.00 -0.60 0.00 0.00 56.93 53.89 1yff s PHE 36 Cb 0.08 -2.15 1.61 0.00 0.51 0.00 0.00 43.02 43.08 1yff s PHE 36 CO 0.83 -0.77 1.93 -1.35 0.70 0.00 0.00 175.22 176.56 1yff h PRO 37 N 6.69 0.00 0.00 0.24 0.11 -1.76 -2.79 132.00 134.49 1yff h PRO 37 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1yff h PRO 37 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1yff h PRO 37 CO 0.54 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.12 1yff h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.91 -2.87 112.91 108.33 1yff h THR 38 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1yff h THR 38 Cb 0.06 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1yff h THR 38 CO 0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1yff h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.82 -3.12 112.91 116.14 1yff h THR 39 Ca 0.00 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 1yff h THR 39 Cb 0.54 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1yff h THR 39 CO 0.00 0.00 -0.20 0.11 -0.25 0.00 0.00 175.52 175.18 1yff h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.72 -3.13 116.57 118.01 1yff h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yff h LYS 40 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1yff h LYS 40 CO 0.00 0.20 0.00 0.25 -0.57 0.00 0.00 179.45 179.33 1yff n THR 41 N -3.60 0.98 0.77 -0.16 -2.24 -1.18 -0.82 114.28 108.04 1yff n THR 41 Ca -0.01 0.57 0.12 0.00 -2.27 0.00 0.00 64.05 62.46 1yff n THR 41 Cb 0.34 -1.54 0.27 0.00 -2.10 0.00 0.00 70.33 67.30 1yff n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yff n TYR 42 N -2.25 0.33 -2.98 4.78 4.01 -1.18 -4.31 117.16 115.56 1yff n TYR 42 Ca -0.00 0.09 -0.25 0.00 -0.16 0.00 0.00 57.90 57.59 1yff n TYR 42 Cb 0.10 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 38.57 1yff n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yff n PHE 43 N -1.84 3.04 0.96 -0.72 3.01 0.00 -4.88 117.46 117.03 1yff n PHE 43 Ca 0.05 -3.90 0.14 0.00 1.01 0.00 0.00 57.45 54.74 1yff n PHE 43 Cb 0.39 -0.45 0.57 0.00 -0.01 0.00 0.00 39.48 39.98 1yff n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1yff n PRO 44 N -0.13 0.03 -0.34 -1.08 -0.04 -1.25 -2.95 135.00 129.24 1yff n PRO 44 Ca 0.30 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 1yff n PRO 44 Cb 0.47 -1.53 0.26 0.00 -0.04 0.00 0.00 33.50 32.66 1yff n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1yff n HIS 45 N -1.58 0.88 -4.32 0.54 1.44 -1.26 -4.91 115.22 106.00 1yff n HIS 45 Ca 0.07 -0.40 -0.29 0.00 -2.01 0.00 0.00 57.72 55.08 1yff n HIS 45 Cb 0.35 -0.06 -0.12 0.00 0.12 0.00 0.00 29.99 30.29 1yff n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yff s PHE 46 N -1.39 2.50 -0.33 -1.40 2.99 -1.15 -5.09 117.98 114.10 1yff s PHE 46 Ca 0.39 -0.28 -0.17 0.00 0.00 0.00 0.00 56.93 56.86 1yff s PHE 46 Cb 0.21 -1.33 -0.01 0.00 0.00 0.00 0.00 43.02 41.89 1yff s PHE 46 CO 0.24 0.38 0.47 0.34 -0.00 0.00 0.00 175.22 176.65 1yff s ASP 47 N -2.12 6.30 -0.04 1.36 3.68 -1.26 -4.95 116.67 119.64 1yff s ASP 47 Ca 0.17 0.03 0.20 0.00 2.13 0.00 0.00 52.55 55.09 1yff s ASP 47 Cb -0.10 -2.25 0.63 0.00 -1.45 0.00 0.00 42.92 39.74 1yff s ASP 47 CO 0.09 -0.40 1.53 0.18 0.13 0.00 0.00 175.17 176.71 1yff n LEU 48 N 5.61 4.09 -4.77 -1.34 4.77 -1.26 -4.48 117.00 119.62 1yff n LEU 48 Ca -0.06 -2.16 -0.32 0.00 -0.03 0.00 0.00 56.01 53.45 1yff n LEU 48 Cb 0.49 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1yff n LEU 48 CO 0.43 0.90 0.72 -0.94 -1.33 0.00 0.00 177.39 177.17 1yff s SER 49 N -0.99 4.78 0.25 -1.43 1.04 -1.26 -4.94 113.70 111.15 1yff s SER 49 Ca 0.47 1.88 -0.31 0.00 0.48 0.00 0.00 55.95 58.47 1yff s SER 49 Cb 0.26 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.74 1yff s SER 49 CO 0.28 -1.85 1.66 1.57 0.98 0.00 0.00 173.24 175.89 1yff n HIS 50 N -3.07 2.82 -0.82 5.02 -0.00 -1.26 -2.16 115.22 115.75 1yff n HIS 50 Ca 0.09 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1yff n HIS 50 Cb 0.53 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 1yff n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yff n GLY 51 N 3.06 0.58 3.76 1.57 0.00 -1.26 -5.01 105.19 107.89 1yff n GLY 51 Ca 0.12 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1yff n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yff n SER 52 N 0.18 3.88 0.16 1.61 2.88 -0.92 -4.93 113.62 116.49 1yff n SER 52 Ca 0.00 1.19 0.02 0.00 -1.33 0.00 0.00 58.87 58.74 1yff n SER 52 Cb 0.00 -1.61 0.26 0.00 -0.75 0.00 0.00 64.21 62.10 1yff n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yff h ALA 53 N 3.95 1.04 -0.07 -1.46 0.00 -1.91 -2.34 119.26 118.47 1yff h ALA 53 Ca -0.49 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 53.78 1yff h ALA 53 Cb 1.23 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1yff h ALA 53 CO 0.72 0.62 -0.70 1.96 0.00 0.00 0.00 179.25 181.85 1yff h GLN 54 N 0.00 0.60 -0.26 0.00 4.20 -1.92 -0.08 115.11 117.65 1yff h GLN 54 Ca -0.00 -0.55 -0.15 0.00 0.06 0.00 0.00 58.65 58.01 1yff h GLN 54 Cb 0.96 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1yff h GLN 54 CO 0.06 1.17 -0.43 0.28 -0.67 0.00 0.00 178.83 179.24 1yff h VAL 55 N 0.23 1.30 -0.45 -0.54 2.07 -1.78 0.11 116.25 117.18 1yff h VAL 55 Ca -0.07 -1.62 -0.14 0.00 0.82 0.00 0.00 66.70 65.70 1yff h VAL 55 Cb 1.36 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1yff h VAL 55 CO 0.14 0.52 -0.26 0.50 0.02 0.00 0.00 177.57 178.49 1yff h LYS 56 N 0.53 0.97 -0.09 1.57 1.63 -1.45 0.61 116.57 120.35 1yff h LYS 56 Ca 0.04 -0.44 -0.17 0.00 -0.85 0.00 0.00 60.65 59.23 1yff h LYS 56 Cb 0.96 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1yff h LYS 56 CO 0.09 1.11 -0.68 0.78 -3.45 0.00 0.00 179.45 177.29 1yff h GLY 57 N 0.86 0.43 1.75 5.01 0.00 -0.82 -3.17 103.07 107.12 1yff h GLY 57 Ca 0.10 -0.58 -0.22 0.00 0.00 0.00 0.00 47.33 46.63 1yff h GLY 57 CO 0.07 0.52 -0.97 0.84 0.00 0.00 0.00 176.54 177.00 1yff h HIS 58 N 0.28 0.34 0.00 5.60 -0.00 -0.64 -3.16 115.15 117.57 1yff h HIS 58 Ca -0.02 -0.21 -0.02 0.00 -0.00 0.00 0.00 60.37 60.12 1yff h HIS 58 Cb 1.24 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1yff h HIS 58 CO 0.04 1.06 -0.10 0.78 -0.00 0.00 0.00 177.93 179.71 1yff h GLY 59 N 1.84 0.00 0.85 5.26 0.00 -0.89 -1.12 103.07 109.02 1yff h GLY 59 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 1yff h GLY 59 CO 0.15 0.00 -0.53 1.70 0.00 0.00 0.00 176.54 177.86 1yff h LYS 60 N 0.00 0.48 -0.63 4.80 1.63 -1.52 -2.20 116.57 119.13 1yff h LYS 60 Ca -0.00 -0.43 -0.07 0.00 -0.85 0.00 0.00 60.65 59.30 1yff h LYS 60 Cb 0.38 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1yff h LYS 60 CO 0.01 1.06 0.12 0.87 -3.45 0.00 0.00 179.45 178.07 1yff h LYS 61 N 0.05 1.01 0.07 1.90 1.57 -1.37 -0.16 116.57 119.63 1yff h LYS 61 Ca -0.05 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1yff h LYS 61 Cb 1.19 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1yff h LYS 61 CO 0.11 0.92 -0.03 0.28 -0.57 0.00 0.00 179.45 180.15 1yff h VAL 62 N 0.96 1.15 -0.25 0.50 2.07 -1.25 -1.72 116.25 117.70 1yff h VAL 62 Ca 0.20 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1yff h VAL 62 Cb 0.39 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1yff h VAL 62 CO 0.01 0.19 -0.07 0.00 0.02 0.00 0.00 177.57 177.71 1yff h ALA 63 N 0.46 1.41 -0.02 1.67 0.00 -1.31 -1.43 119.26 120.04 1yff h ALA 63 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1yff h ALA 63 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yff h ALA 63 CO 0.02 0.41 -0.50 -0.44 0.00 0.00 0.00 179.25 178.73 1yff h ASP 64 N 0.38 0.05 0.38 0.00 3.45 -0.94 -1.09 116.42 118.66 1yff h ASP 64 Ca 0.08 -0.03 -0.21 0.00 0.43 0.00 0.00 57.03 57.30 1yff h ASP 64 Cb 0.37 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1yff h ASP 64 CO 0.02 0.55 -0.90 0.00 -1.57 0.00 0.00 179.24 177.33 1yff h ALA 65 N 1.45 0.43 0.00 3.45 0.00 -0.57 -2.72 119.26 121.30 1yff h ALA 65 Ca -0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.09 1yff h ALA 65 Cb 0.90 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1yff h ALA 65 CO 0.07 0.83 -0.57 -0.07 0.00 0.00 0.00 179.25 179.51 1yff h LEU 66 N 0.21 0.00 -0.32 0.00 3.38 -1.00 -2.04 115.31 115.54 1yff h LEU 66 Ca -0.07 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 1yff h LEU 66 Cb 1.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1yff h LEU 66 CO 0.15 0.57 -0.82 0.74 0.09 0.00 0.00 178.44 179.18 1yff h THR 67 N 0.00 1.41 -0.15 0.22 2.02 -1.16 -1.82 112.91 113.43 1yff h THR 67 Ca -0.01 -2.33 -0.12 0.00 0.77 0.00 0.00 66.41 64.72 1yff h THR 67 Cb 1.04 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1yff h THR 67 CO 0.07 0.69 -0.45 -1.13 0.37 0.00 0.00 175.52 175.08 1yff h ASN 68 N 0.22 0.37 0.20 4.18 -0.00 -1.32 -2.62 115.58 116.61 1yff h ASN 68 Ca -0.05 -0.17 -0.15 0.00 -0.00 0.00 0.00 56.30 55.94 1yff h ASN 68 Cb 1.42 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 39.62 1yff h ASN 68 CO 0.14 0.77 -0.55 0.00 -0.00 0.00 0.00 177.43 177.79 1yff h ALA 69 N 1.24 0.82 0.00 1.57 0.00 -1.19 -1.43 119.26 120.27 1yff h ALA 69 Ca 0.02 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1yff h ALA 69 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1yff h ALA 69 CO 0.07 0.69 -0.47 0.28 0.00 0.00 0.00 179.25 179.82 1yff h VAL 70 N 0.29 1.12 0.00 0.00 2.07 -1.13 -1.74 116.25 116.86 1yff h VAL 70 Ca 0.00 -1.75 -0.21 0.00 0.82 0.00 0.00 66.70 65.56 1yff h VAL 70 Cb 1.06 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1yff h VAL 70 CO 0.09 0.46 -1.03 0.00 0.02 0.00 0.00 177.57 177.12 1yff h ALA 71 N 1.53 0.37 -0.81 1.67 0.00 -1.20 -3.31 119.26 117.51 1yff h ALA 71 Ca -0.00 -0.93 -0.58 0.00 0.00 0.00 0.00 54.91 53.40 1yff h ALA 71 Cb 0.97 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.23 1yff h ALA 71 CO 0.06 1.26 -0.36 0.72 0.00 0.00 0.00 179.25 180.93 1yff n HIS 72 N -3.34 2.85 0.25 0.00 -0.00 -0.56 -4.83 115.22 109.60 1yff n HIS 72 Ca -0.01 -2.43 0.07 0.00 -0.00 0.00 0.00 57.72 55.36 1yff n HIS 72 Cb 0.94 -0.64 0.61 0.00 -0.00 0.00 0.00 29.99 30.90 1yff n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1yff h VAL 73 N 1.85 1.03 0.00 1.59 3.04 -1.41 -2.27 116.25 120.08 1yff h VAL 73 Ca 0.43 -0.16 -0.06 0.00 -1.01 0.00 0.00 66.70 65.90 1yff h VAL 73 Cb 1.35 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 1yff h VAL 73 CO 0.98 0.05 -0.28 0.44 -1.01 0.00 0.00 177.57 177.74 1yff h ASP 74 N 0.00 0.00 -1.57 3.17 3.32 -1.88 -3.37 116.42 116.10 1yff h ASP 74 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1yff h ASP 74 Cb 0.08 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.29 1yff h ASP 74 CO 0.01 0.28 -1.00 -0.67 -1.72 0.00 0.00 179.24 176.14 1yff n ASP 75 N -3.25 -0.27 -0.01 6.45 4.64 -0.90 -4.99 116.55 118.21 1yff n ASP 75 Ca 0.02 -2.94 -0.06 0.00 -1.38 0.00 0.00 54.79 50.42 1yff n ASP 75 Cb 0.56 -0.09 0.13 0.00 -1.04 0.00 0.00 41.12 40.68 1yff n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1yff h MET 76 N 3.65 0.57 -0.48 -0.67 2.86 -1.61 -3.09 114.93 116.17 1yff h MET 76 Ca 0.03 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1yff h MET 76 Cb 0.94 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1yff h MET 76 CO 0.43 0.83 0.32 -1.35 1.06 0.00 0.00 176.91 178.20 1yff h PRO 77 N 0.49 0.48 0.02 -0.22 0.11 -1.94 -0.83 132.00 130.10 1yff h PRO 77 Ca 0.05 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.89 1yff h PRO 77 Cb 0.82 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.83 1yff h PRO 77 CO 0.07 0.32 -1.01 -0.97 -0.21 0.00 0.00 178.00 176.20 1yff h ASN 78 N 0.50 0.62 0.16 -2.05 -0.00 -1.96 -3.06 115.58 109.79 1yff h ASN 78 Ca 0.20 -0.52 -0.01 0.00 -0.00 0.00 0.00 56.30 55.97 1yff h ASN 78 Cb 0.16 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 1yff h ASN 78 CO -0.05 1.32 -0.08 0.00 -0.00 0.00 0.00 177.43 178.63 1yff h ALA 79 N 0.63 -0.21 -0.25 1.57 0.00 -1.32 -3.27 119.26 116.41 1yff h ALA 79 Ca -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1yff h ALA 79 Cb 1.66 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1yff h ALA 79 CO 0.18 -0.33 0.03 1.28 0.00 0.00 0.00 179.25 180.41 1yff n LEU 80 N -4.94 3.06 -0.28 0.00 4.77 -0.37 -4.53 117.00 114.71 1yff n LEU 80 Ca -0.08 -1.55 0.08 0.00 -0.03 0.00 0.00 56.01 54.43 1yff n LEU 80 Cb 0.27 -0.58 0.23 0.00 -2.33 0.00 0.00 43.42 41.01 1yff n LEU 80 CO 0.27 0.44 1.02 -1.28 -1.33 0.00 0.00 177.39 176.51 1yff h SER 81 N 1.42 0.28 0.29 -1.43 0.87 -1.59 -1.07 113.55 112.32 1yff h SER 81 Ca 0.03 0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.52 1yff h SER 81 Cb 1.16 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1yff h SER 81 CO 0.22 0.06 -0.82 0.00 -0.53 0.00 0.00 176.83 175.76 1yff h ALA 82 N 1.62 0.49 -0.04 6.23 0.00 -1.88 -2.95 119.26 122.72 1yff h ALA 82 Ca 0.47 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1yff h ALA 82 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1yff h ALA 82 CO -0.46 0.79 -0.52 -0.07 0.00 0.00 0.00 179.25 178.98 1yff h LEU 83 N 0.26 0.13 -0.03 0.00 3.38 -1.73 -2.31 115.31 115.01 1yff h LEU 83 Ca -0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1yff h LEU 83 Cb 1.43 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1yff h LEU 83 CO 0.14 0.63 0.01 -1.28 0.09 0.00 0.00 178.44 178.03 1yff h SER 84 N 0.09 0.04 -0.72 -0.43 0.87 -1.21 0.27 113.55 112.48 1yff h SER 84 Ca 0.00 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1yff h SER 84 Cb 0.96 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.86 1yff h SER 84 CO 0.07 0.21 0.45 -0.78 -0.53 0.00 0.00 176.83 176.26 1yff h ASP 85 N -0.13 0.74 0.46 6.23 1.82 -1.41 0.90 116.42 125.03 1yff h ASP 85 Ca 0.01 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1yff h ASP 85 Cb 0.18 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1yff h ASP 85 CO -0.00 0.51 -0.22 0.25 -1.61 0.00 0.00 179.24 178.17 1yff h LEU 86 N 0.88 -0.52 -0.32 2.28 7.12 -1.23 -2.19 115.31 121.32 1yff h LEU 86 Ca 0.29 -0.09 -0.08 0.00 0.13 0.00 0.00 57.88 58.13 1yff h LEU 86 Cb 0.02 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1yff h LEU 86 CO -0.11 -0.14 -0.12 0.45 -0.13 0.00 0.00 178.44 178.39 1yff h HIS 87 N -0.98 0.73 0.01 1.25 3.86 -0.84 0.48 115.15 119.67 1yff h HIS 87 Ca -0.06 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 58.91 1yff h HIS 87 Cb 0.58 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1yff h HIS 87 CO 0.01 0.85 -0.36 0.00 0.86 0.00 0.00 177.93 179.29 1yff h ALA 88 N 0.78 0.06 0.00 2.45 0.00 -0.67 -1.24 119.26 120.63 1yff h ALA 88 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1yff h ALA 88 Cb 0.64 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1yff h ALA 88 CO 0.04 0.20 -0.06 1.25 0.00 0.00 0.00 179.25 180.68 1yff h HIS 89 N -0.95 0.00 0.10 0.00 -0.00 -1.52 -3.28 115.15 109.50 1yff h HIS 89 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1yff h HIS 89 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 1yff h HIS 89 CO 0.23 0.00 -0.05 0.87 -0.00 0.00 0.00 177.93 178.98 1yff h LYS 90 N -0.97 -0.13 0.00 5.26 6.56 -1.29 -3.36 116.57 122.64 1yff h LYS 90 Ca 0.00 0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.49 1yff h LYS 90 Cb 0.06 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1yff h LYS 90 CO 0.00 0.37 -0.67 -0.07 -2.06 0.00 0.00 179.45 177.02 1yff h LEU 91 N -0.78 0.00 -2.05 2.94 3.38 -1.04 -3.49 115.31 114.27 1yff h LEU 91 Ca -0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.53 1yff h LEU 91 Cb 0.57 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.37 1yff h LEU 91 CO 0.02 0.47 -0.86 0.54 0.09 0.00 0.00 178.44 178.70 1yff n ARG 92 N -3.13 -3.94 -2.23 1.13 1.74 -0.70 -4.93 116.66 104.60 1yff n ARG 92 Ca -0.00 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 1yff n ARG 92 Cb 0.74 -4.95 -0.03 0.00 -1.02 0.00 0.00 32.46 27.20 1yff n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yff s VAL 93 N -3.68 3.48 -0.02 1.55 1.01 -0.55 -4.99 120.40 117.20 1yff s VAL 93 Ca 0.10 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1yff s VAL 93 Cb -0.03 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1yff s VAL 93 CO 0.83 0.08 1.37 -0.62 0.00 0.00 0.00 175.10 176.76 1yff s ASP 94 N 1.11 6.88 0.59 3.32 -1.08 -1.26 -4.89 116.67 121.33 1yff s ASP 94 Ca 0.63 2.05 0.30 0.00 -0.52 0.00 0.00 52.55 55.01 1yff s ASP 94 Cb -0.35 -2.56 1.35 0.00 -1.46 0.00 0.00 42.92 39.90 1yff s ASP 94 CO 0.30 -0.71 1.72 -0.65 0.52 0.00 0.00 175.17 176.35 1yff h PRO 95 N 7.85 0.00 -0.65 4.34 0.11 -1.96 -1.92 132.00 139.77 1yff h PRO 95 Ca -0.37 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 1yff h PRO 95 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1yff h PRO 95 CO 0.90 0.00 0.20 0.28 -0.21 0.00 0.00 178.00 179.17 1yff h VAL 96 N 0.00 1.24 -0.02 3.15 2.07 -2.01 -2.23 116.25 118.46 1yff h VAL 96 Ca 0.35 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1yff h VAL 96 Cb 1.86 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1yff h VAL 96 CO -0.00 0.33 0.02 0.78 0.02 0.00 0.00 177.57 178.71 1yff h ASN 97 N 0.96 0.00 0.50 0.57 4.21 -1.74 -1.00 115.58 119.08 1yff h ASN 97 Ca 0.21 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.52 1yff h ASN 97 Cb 0.28 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1yff h ASN 97 CO -0.01 0.00 -0.90 -0.26 -1.29 0.00 0.00 177.43 174.97 1yff h PHE 98 N 0.00 0.40 -0.13 1.19 0.04 -1.55 -1.79 116.94 115.10 1yff h PHE 98 Ca 0.01 -0.22 -0.12 0.00 2.80 0.00 0.00 57.97 60.44 1yff h PHE 98 Cb 0.05 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1yff h PHE 98 CO 0.00 1.04 -0.47 0.87 -0.60 0.00 0.00 178.31 179.15 1yff h LYS 99 N 0.15 0.31 -0.20 1.51 1.57 -1.09 -1.25 116.57 117.58 1yff h LYS 99 Ca -0.06 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.41 1yff h LYS 99 Cb 1.53 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.85 1yff h LYS 99 CO 0.14 0.72 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.25 1yff h LEU 100 N 0.25 0.71 -0.35 2.94 3.38 -1.27 -1.90 115.31 119.08 1yff h LEU 100 Ca 0.02 -0.56 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 1yff h LEU 100 Cb 0.92 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1yff h LEU 100 CO 0.08 1.14 -0.37 0.25 0.09 0.00 0.00 178.44 179.62 1yff h LEU 101 N 0.31 0.93 -0.91 1.67 5.85 -1.30 -2.23 115.31 119.63 1yff h LEU 101 Ca 0.00 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.30 1yff h LEU 101 Cb 1.03 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1yff h LEU 101 CO 0.09 1.21 0.58 0.28 -0.34 0.00 0.00 178.44 180.27 1yff h SER 102 N 0.66 0.95 -0.32 1.25 0.02 -1.23 0.17 113.55 115.05 1yff h SER 102 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1yff h SER 102 Cb 0.96 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1yff h SER 102 CO 0.09 0.63 0.10 -0.74 -1.14 0.00 0.00 176.83 175.77 1yff h HIS 103 N 1.10 0.51 -0.10 3.45 -0.00 -1.24 -1.90 115.15 116.97 1yff h HIS 103 Ca 0.38 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.63 1yff h HIS 103 Cb 0.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1yff h HIS 103 CO -0.02 0.52 -0.25 0.00 -0.00 0.00 0.00 177.93 178.18 1yff h LEU 105 N 0.16 0.85 -0.35 0.00 3.38 -0.42 -0.84 115.31 118.08 1yff h LEU 105 Ca 0.03 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 1yff h LEU 105 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1yff h LEU 105 CO 0.04 1.07 -0.35 -0.07 0.09 0.00 0.00 178.44 179.22 1yff h LEU 106 N 0.70 0.93 -0.99 1.67 3.38 -0.88 -1.17 115.31 118.94 1yff h LEU 106 Ca 0.08 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1yff h LEU 106 Cb 0.82 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1yff h LEU 106 CO 0.07 1.20 0.22 0.58 0.09 0.00 0.00 178.44 180.60 1yff h VAL 107 N 0.66 1.23 -0.26 1.22 2.07 -1.03 0.10 116.25 120.25 1yff h VAL 107 Ca 0.06 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1yff h VAL 107 Cb 0.94 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1yff h VAL 107 CO 0.09 0.30 -0.07 0.74 0.02 0.00 0.00 177.57 178.65 1yff h THR 108 N 0.92 1.29 -0.38 2.57 2.02 -0.96 -0.99 112.91 117.37 1yff h THR 108 Ca 0.21 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1yff h THR 108 Cb 0.24 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1yff h THR 108 CO -0.01 0.34 -0.13 -0.07 0.37 0.00 0.00 175.52 176.02 1yff h LEU 109 N 0.25 0.68 -0.69 2.58 3.38 -0.88 -2.38 115.31 118.24 1yff h LEU 109 Ca 0.06 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1yff h LEU 109 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1yff h LEU 109 CO 0.03 0.83 -0.17 0.00 0.09 0.00 0.00 178.44 179.21 1yff h ALA 110 N 1.24 0.88 0.00 1.53 0.00 -0.63 0.14 119.26 122.41 1yff h ALA 110 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1yff h ALA 110 Cb 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1yff h ALA 110 CO 0.04 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1yff h ALA 111 N 1.07 1.00 0.00 0.00 0.00 -1.01 -3.37 119.26 116.94 1yff h ALA 111 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1yff h ALA 111 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1yff h ALA 111 CO 0.05 0.00 -1.68 0.72 0.00 0.00 0.00 179.25 178.34 1yff n HIS 112 N -2.72 0.00 -3.74 0.00 -0.00 -0.91 -4.86 115.22 103.00 1yff n HIS 112 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 1yff n HIS 112 Cb 0.45 -0.49 -0.11 0.00 -0.00 0.00 0.00 29.99 29.84 1yff n HIS 112 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yff s LEU 113 N -4.69 3.74 0.39 2.41 1.43 0.46 -4.98 118.68 117.43 1yff s LEU 113 Ca -0.05 -3.61 0.14 0.00 -1.03 0.00 0.00 54.13 49.57 1yff s LEU 113 Cb 0.03 -1.25 0.78 0.00 0.03 0.00 0.00 46.19 45.78 1yff s LEU 113 CO 0.42 -0.11 1.85 -0.65 0.23 0.00 0.00 176.35 178.09 1yff h PRO 114 N 5.46 0.00 0.12 1.29 0.11 -1.80 -2.80 132.00 134.39 1yff h PRO 114 Ca 0.19 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.03 1yff h PRO 114 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1yff h PRO 114 CO 0.61 0.34 -1.22 0.00 -0.21 0.00 0.00 178.00 177.52 1yff h ALA 115 N 1.66 0.12 0.00 -0.75 0.00 -1.94 -3.33 119.26 115.02 1yff h ALA 115 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1yff h ALA 115 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1yff h ALA 115 CO 0.04 0.96 -0.23 0.93 0.00 0.00 0.00 179.25 180.95 1yff h GLU 116 N 0.09 0.00 -2.64 0.00 3.07 -1.96 -3.38 114.58 109.75 1yff h GLU 116 Ca -0.13 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.04 1yff h GLU 116 Cb 1.94 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.76 1yff h GLU 116 CO 0.20 0.00 2.51 0.34 -1.40 0.00 0.00 179.01 180.66 1yff n PHE 117 N -2.98 2.40 -2.13 4.33 7.35 -1.06 -4.76 117.46 120.62 1yff n PHE 117 Ca 0.03 -2.78 -0.32 0.00 -0.76 0.00 0.00 57.45 53.63 1yff n PHE 117 Cb 0.53 -1.94 -0.01 0.00 0.35 0.00 0.00 39.48 38.41 1yff n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yff s THR 118 N -0.42 4.32 0.54 -2.13 -4.23 -1.26 -4.80 115.64 107.67 1yff s THR 118 Ca 0.59 1.01 0.31 0.00 -1.18 0.00 0.00 61.69 62.42 1yff s THR 118 Cb 0.20 -3.62 0.47 0.00 1.34 0.00 0.00 72.50 70.89 1yff s THR 118 CO -0.09 -0.74 1.89 -0.65 -0.54 0.00 0.00 174.62 174.49 1yff h PRO 119 N 0.42 0.00 -0.03 3.99 0.11 -1.99 -0.65 132.00 133.85 1yff h PRO 119 Ca -0.46 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1yff h PRO 119 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 1yff h PRO 119 CO 0.60 0.00 -0.98 0.00 -0.21 0.00 0.00 178.00 177.41 1yff h ALA 120 N 1.55 0.22 -0.03 -0.75 0.00 -1.97 -2.77 119.26 115.50 1yff h ALA 120 Ca 0.40 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1yff h ALA 120 Cb 1.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1yff h ALA 120 CO -0.00 0.71 -0.70 0.28 0.00 0.00 0.00 179.25 179.54 1yff h VAL 121 N 0.38 1.44 -0.38 0.00 2.07 -1.56 -1.90 116.25 116.31 1yff h VAL 121 Ca -0.11 -2.24 -0.00 0.00 0.82 0.00 0.00 66.70 65.17 1yff h VAL 121 Cb 1.62 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.56 1yff h VAL 121 CO 0.19 0.65 0.22 -0.74 0.02 0.00 0.00 177.57 177.92 1yff h HIS 122 N 0.12 0.51 -0.07 1.57 6.17 -1.19 -0.28 115.15 121.98 1yff h HIS 122 Ca -0.02 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.06 1yff h HIS 122 Cb 1.25 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 31.01 1yff h HIS 122 CO 0.02 0.37 0.04 0.00 0.71 0.00 0.00 177.93 179.07 1yff h ALA 123 N 1.09 0.09 -0.76 5.26 0.00 -1.33 -1.29 119.26 122.32 1yff h ALA 123 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1yff h ALA 123 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1yff h ALA 123 CO -0.02 -0.38 0.40 0.77 0.00 0.00 0.00 179.25 180.01 1yff h SER 124 N 0.04 0.96 0.19 0.00 0.02 -1.10 -1.72 113.55 111.94 1yff h SER 124 Ca 0.02 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.71 1yff h SER 124 Cb 0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1yff h SER 124 CO -0.00 0.79 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.74 1yff h LEU 125 N 1.07 0.52 -0.63 5.07 3.38 -0.90 -1.70 115.31 122.12 1yff h LEU 125 Ca 0.27 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1yff h LEU 125 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1yff h LEU 125 CO -0.04 1.04 -0.15 -0.78 0.09 0.00 0.00 178.44 178.59 1yff h ASP 126 N 0.32 0.93 -0.41 -0.43 1.82 -0.75 -0.31 116.42 117.57 1yff h ASP 126 Ca -0.02 -0.32 -0.15 0.00 -0.39 0.00 0.00 57.03 56.15 1yff h ASP 126 Cb 1.23 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1yff h ASP 126 CO 0.12 1.07 -0.34 0.11 -1.61 0.00 0.00 179.24 178.59 1yff h LYS 127 N 0.81 0.96 0.27 0.28 1.57 -1.30 -1.63 116.57 117.52 1yff h LYS 127 Ca 0.12 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1yff h LYS 127 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1yff h LYS 127 CO 0.05 1.14 -0.13 0.35 -0.57 0.00 0.00 179.45 180.29 1yff h PHE 128 N 0.79 -0.33 -0.58 -1.35 3.57 -0.96 -0.60 116.94 117.48 1yff h PHE 128 Ca 0.08 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1yff h PHE 128 Cb 0.93 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1yff h PHE 128 CO 0.06 -0.17 0.19 -0.07 -2.23 0.00 0.00 178.31 176.09 1yff h LEU 129 N -0.40 0.79 -0.85 0.59 3.38 -1.07 -1.27 115.31 116.48 1yff h LEU 129 Ca -0.04 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1yff h LEU 129 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1yff h LEU 129 CO 0.06 0.74 -0.09 0.00 0.09 0.00 0.00 178.44 179.24 1yff h ALA 130 N 1.37 1.04 -0.26 1.53 0.00 -1.09 -0.64 119.26 121.20 1yff h ALA 130 Ca 0.19 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1yff h ALA 130 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1yff h ALA 130 CO -0.01 0.59 -0.38 0.77 0.00 0.00 0.00 179.25 180.22 1yff h SER 131 N 0.69 0.63 -0.29 0.00 0.02 -0.60 -1.19 113.55 112.81 1yff h SER 131 Ca 0.12 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 1yff h SER 131 Cb 0.55 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1yff h SER 131 CO 0.03 0.95 -0.29 0.58 -1.14 0.00 0.00 176.83 176.96 1yff h VAL 132 N 0.50 1.30 -0.83 2.27 2.07 -0.96 -2.88 116.25 117.72 1yff h VAL 132 Ca 0.05 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.12 1yff h VAL 132 Cb 0.88 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1yff h VAL 132 CO 0.08 0.47 0.55 0.28 0.02 0.00 0.00 177.57 178.96 1yff h SER 133 N 0.44 0.96 -0.72 0.57 0.02 -0.96 -1.66 113.55 112.20 1yff h SER 133 Ca 0.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1yff h SER 133 Cb 0.86 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1yff h SER 133 CO 0.07 0.69 0.44 0.74 -1.14 0.00 0.00 176.83 177.64 1yff h THR 134 N 1.13 1.20 -0.27 -2.27 2.02 -1.17 -1.09 112.91 112.46 1yff h THR 134 Ca 0.30 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1yff h THR 134 Cb -0.13 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1yff h THR 134 CO -0.07 0.21 -0.06 0.58 0.37 0.00 0.00 175.52 176.55 1yff h VAL 135 N 0.98 1.28 0.00 3.16 2.07 -1.24 -3.09 116.25 119.42 1yff h VAL 135 Ca 0.26 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1yff h VAL 135 Cb -0.04 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1yff h VAL 135 CO -0.05 0.34 0.00 0.18 0.02 0.00 0.00 177.57 178.06 1yff n LEU 136 N -4.53 0.52 -1.11 2.57 4.77 -0.66 -2.72 117.00 115.84 1yff n LEU 136 Ca -0.03 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1yff n LEU 136 Cb 0.30 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 41.11 1yff n LEU 136 CO 0.40 -0.33 0.69 0.35 -1.33 0.00 0.00 177.39 177.16 1yff n THR 137 N -2.03 0.48 -4.91 -5.08 -2.24 -0.44 -2.88 114.28 97.18 1yff n THR 137 Ca 0.04 -0.74 -0.27 0.00 -2.27 0.00 0.00 64.05 60.81 1yff n THR 137 Cb 0.29 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.37 1yff n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1yff s SER 138 N -1.47 2.34 -0.49 3.42 1.04 -1.10 -4.86 113.70 112.58 1yff s SER 138 Ca 0.37 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 1yff s SER 138 Cb 0.22 -0.72 0.04 0.00 0.10 0.00 0.00 66.02 65.65 1yff s SER 138 CO 0.30 0.16 0.76 -0.54 0.98 0.00 0.00 173.24 174.90 1yff s LYS 139 N 0.09 3.30 -0.27 4.02 1.02 -1.26 -4.78 119.74 121.85 1yff s LYS 139 Ca -0.06 -0.38 0.11 0.00 0.02 0.00 0.00 55.97 55.66 1yff s LYS 139 Cb -0.13 -4.01 0.47 0.00 -0.52 0.00 0.00 37.83 33.64 1yff s LYS 139 CO 0.03 -1.21 1.18 2.48 -0.92 0.00 0.00 175.35 176.90 1yff n TYR 140 N 6.69 2.15 0.65 3.18 4.11 -1.26 -5.15 117.16 127.54 1yff n TYR 140 Ca -0.01 -2.10 0.08 0.00 -0.00 0.00 0.00 57.90 55.88 1yff n TYR 140 Cb 0.47 -0.31 0.07 0.00 -0.00 0.00 0.00 39.34 39.57 1yff n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40