#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 3.78 0.24 7.52 1.43 -1.26 -5.11 118.68 125.28 1yff s LEU 2 Ca 0.00 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1yff s LEU 2 Cb 0.00 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1yff s LEU 2 CO 0.00 -0.45 0.33 -0.94 0.23 0.00 0.00 176.35 175.52 1yff s SER 3 N -3.03 6.18 0.58 2.29 1.04 -1.26 -4.98 113.70 114.52 1yff s SER 3 Ca 0.54 0.01 0.32 0.00 0.48 0.00 0.00 55.95 57.31 1yff s SER 3 Cb -0.10 -1.78 1.79 0.00 0.10 0.00 0.00 66.02 66.03 1yff s SER 3 CO 0.30 -0.06 2.20 -0.65 0.98 0.00 0.00 173.24 176.01 1yff h PRO 4 N 1.26 0.00 0.00 4.02 0.11 -2.00 -0.96 132.00 134.43 1yff h PRO 4 Ca -0.51 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.39 1yff h PRO 4 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1yff h PRO 4 CO 0.61 0.04 -1.01 0.00 -0.21 0.00 0.00 178.00 177.43 1yff h ALA 5 N 1.96 0.35 -0.38 -0.75 0.00 -2.00 -3.01 119.26 115.43 1yff h ALA 5 Ca -0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 54.91 53.85 1yff h ALA 5 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yff h ALA 5 CO 0.01 1.24 -0.32 -0.44 0.00 0.00 0.00 179.25 179.74 1yff h ASP 6 N 0.00 0.95 -0.24 0.00 3.32 -1.59 -2.68 116.42 116.18 1yff h ASP 6 Ca -0.02 -0.45 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 1yff h ASP 6 Cb 1.78 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 41.05 1yff h ASP 6 CO 0.13 1.20 -0.13 0.11 -1.72 0.00 0.00 179.24 178.83 1yff h LYS 7 N 0.70 0.64 -0.26 3.56 1.57 -1.36 -2.04 116.57 119.39 1yff h LYS 7 Ca 0.07 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1yff h LYS 7 Cb 0.91 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1yff h LYS 7 CO 0.08 0.75 -0.08 1.15 -0.57 0.00 0.00 179.45 180.78 1yff h THR 8 N 0.59 1.29 -0.02 -0.16 2.02 -1.48 -1.57 112.91 113.57 1yff h THR 8 Ca 0.10 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 1yff h THR 8 Cb 0.56 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1yff h THR 8 CO 0.04 0.35 -0.35 0.78 0.37 0.00 0.00 175.52 176.70 1yff h ASN 9 N 0.25 0.04 -0.01 4.18 -0.26 -1.35 -0.92 115.58 117.51 1yff h ASN 9 Ca 0.06 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.70 1yff h ASN 9 Cb 0.56 -0.01 0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1yff h ASN 9 CO 0.03 0.39 -0.37 0.58 -1.06 0.00 0.00 177.43 177.00 1yff h VAL 10 N 0.03 1.50 -0.75 2.81 2.07 -1.26 -2.45 116.25 118.19 1yff h VAL 10 Ca 0.00 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 1yff h VAL 10 Cb 0.64 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.05 1yff h VAL 10 CO 0.05 0.55 0.31 0.11 0.02 0.00 0.00 177.57 178.61 1yff h LYS 11 N -0.34 1.10 -0.25 1.57 1.57 -1.13 0.04 116.57 119.14 1yff h LYS 11 Ca -0.04 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 1yff h LYS 11 Cb 1.10 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1yff h LYS 11 CO 0.07 0.89 -0.28 0.00 -0.57 0.00 0.00 179.45 179.56 1yff h ALA 12 N 1.26 0.37 -0.14 3.86 0.00 -1.25 -2.01 119.26 121.34 1yff h ALA 12 Ca 0.25 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1yff h ALA 12 Cb 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1yff h ALA 12 CO -0.02 0.38 -0.62 0.00 0.00 0.00 0.00 179.25 178.98 1yff h ALA 13 N 0.67 0.27 0.00 0.00 0.00 -1.31 -3.14 119.26 115.75 1yff h ALA 13 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1yff h ALA 13 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1yff h ALA 13 CO 0.07 0.54 0.00 2.35 0.00 0.00 0.00 179.25 182.20 1yff h TRP 14 N 0.35 0.00 0.00 0.00 2.91 -1.05 -2.78 115.95 115.38 1yff h TRP 14 Ca -0.04 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 1yff h TRP 14 Cb 1.26 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.90 1yff h TRP 14 CO 0.10 0.00 -0.15 0.78 -1.03 0.00 0.00 178.44 178.13 1yff h GLY 15 N 3.01 0.00 0.21 2.65 0.00 -1.31 -3.02 103.07 104.62 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 -0.16 0.28 0.00 0.00 0.00 176.54 176.66 1yff n LYS 16 N -3.16 1.02 -0.05 4.80 4.76 -1.05 -3.94 118.16 120.54 1yff n LYS 16 Ca 0.03 -0.55 -0.02 0.00 -2.87 0.00 0.00 58.31 54.91 1yff n LYS 16 Cb 0.55 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.25 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 1.33 0.00 0.00 -0.18 2.07 -1.61 -3.48 116.25 114.39 1yff h VAL 17 Ca 0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1yff h VAL 17 Cb 0.46 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1yff h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1yff n GLY 18 N 1.75 0.75 0.22 2.17 0.00 -1.22 -1.43 105.19 107.43 1yff n GLY 18 Ca -0.02 0.70 0.11 0.00 0.00 0.00 0.00 46.02 46.81 1yff n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yff h ALA 19 N -0.46 0.95 -0.01 4.61 0.00 -1.93 -3.19 119.26 119.23 1yff h ALA 19 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1yff h ALA 19 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yff h ALA 19 CO 0.00 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.09 1yff n HIS 20 N -3.14 0.02 -0.15 0.00 -0.00 -0.51 -4.33 115.22 107.10 1yff n HIS 20 Ca 0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.72 57.71 1yff n HIS 20 Cb 0.51 0.00 0.05 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 3.69 0.43 -0.43 -1.41 0.00 -1.70 -1.31 119.26 118.53 1yff h ALA 21 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1yff h ALA 21 Cb 0.04 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1yff h ALA 21 CO 0.00 -0.40 0.06 0.78 0.00 0.00 0.00 179.25 179.69 1yff h GLY 22 N 0.10 0.71 0.99 0.00 0.00 -1.84 -1.23 103.07 101.80 1yff h GLY 22 Ca 0.24 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 1yff h GLY 22 CO -0.41 0.38 -0.47 -2.09 0.00 0.00 0.00 176.54 173.95 1yff h GLU 23 N 0.63 0.68 -0.33 4.80 4.81 -1.78 -2.69 114.58 120.71 1yff h GLU 23 Ca 0.14 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.80 1yff h GLU 23 Cb 0.31 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1yff h GLU 23 CO 0.00 1.08 -0.22 1.88 -0.73 0.00 0.00 179.01 181.02 1yff h TYR 24 N 0.38 0.85 -0.14 0.92 0.99 -1.00 -1.11 116.97 117.86 1yff h TYR 24 Ca -0.00 -0.23 -0.10 0.00 2.00 0.00 0.00 58.73 60.40 1yff h TYR 24 Cb 1.08 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.61 1yff h TYR 24 CO 0.09 0.96 -0.37 0.78 -0.00 0.00 0.00 178.16 179.62 1yff h GLY 25 N 0.49 0.32 1.50 3.88 0.00 -1.31 -0.54 103.07 107.41 1yff h GLY 25 Ca 0.07 -0.29 -0.20 0.00 0.00 0.00 0.00 47.33 46.91 1yff h GLY 25 CO 0.06 0.26 -0.76 0.00 0.00 0.00 0.00 176.54 176.11 1yff h ALA 26 N 1.36 0.52 -0.38 3.60 0.00 -1.40 -2.00 119.26 120.96 1yff h ALA 26 Ca 0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 1yff h ALA 26 Cb 0.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1yff h ALA 26 CO 0.06 0.75 -0.36 1.49 0.00 0.00 0.00 179.25 181.19 1yff h GLU 27 N 0.33 0.92 -0.65 0.00 4.81 -1.01 -1.17 114.58 117.81 1yff h GLU 27 Ca -0.04 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1yff h GLU 27 Cb 1.35 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1yff h GLU 27 CO 0.14 1.13 0.25 0.00 -0.73 0.00 0.00 179.01 179.80 1yff h ALA 28 N 0.77 0.84 -0.45 2.92 0.00 -1.04 0.42 119.26 122.72 1yff h ALA 28 Ca 0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1yff h ALA 28 Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1yff h ALA 28 CO 0.09 0.46 -0.20 -0.07 0.00 0.00 0.00 179.25 179.53 1yff h LEU 29 N 0.91 0.97 -0.76 0.00 3.38 -1.26 -2.21 115.31 116.35 1yff h LEU 29 Ca 0.22 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1yff h LEU 29 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1yff h LEU 29 CO -0.02 1.15 -0.21 -0.08 0.09 0.00 0.00 178.44 179.37 1yff h GLU 30 N 0.78 0.72 -0.20 1.13 4.81 -0.88 -1.29 114.58 119.66 1yff h GLU 30 Ca 0.10 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1yff h GLU 30 Cb 0.78 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1yff h GLU 30 CO 0.06 0.87 -0.26 0.00 -0.73 0.00 0.00 179.01 178.96 1yff h ARG 31 N 0.64 0.37 -0.06 1.92 3.08 -0.79 -2.56 114.38 116.97 1yff h ARG 31 Ca 0.09 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 1yff h ARG 31 Cb 0.70 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.73 1yff h ARG 31 CO 0.05 0.60 -0.61 1.98 -1.07 0.00 0.00 179.97 180.93 1yff h MET 32 N 0.33 0.52 -0.50 0.04 4.05 -0.91 -2.00 114.93 116.46 1yff h MET 32 Ca 0.05 -0.48 -0.06 0.00 -0.28 0.00 0.00 59.70 58.94 1yff h MET 32 Cb 0.63 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1yff h MET 32 CO 0.05 1.11 0.08 0.74 0.23 0.00 0.00 176.91 179.11 1yff h PHE 33 N 0.09 0.81 0.13 1.39 0.04 -1.19 -0.55 116.94 117.66 1yff h PHE 33 Ca -0.06 -0.09 -0.19 0.00 2.80 0.00 0.00 57.97 60.44 1yff h PHE 33 Cb 1.28 -0.23 0.02 0.00 2.20 0.00 0.00 35.95 39.22 1yff h PHE 33 CO 0.12 0.71 -0.82 -0.07 -0.60 0.00 0.00 178.31 177.65 1yff h LEU 34 N 0.74 0.50 -0.26 1.54 3.38 -1.52 -3.26 115.31 116.43 1yff h LEU 34 Ca 0.16 -0.93 -0.21 0.00 0.09 0.00 0.00 57.88 56.99 1yff h LEU 34 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1yff h LEU 34 CO 0.01 1.39 -0.75 0.28 0.09 0.00 0.00 178.44 179.46 1yff h SER 35 N -0.31 0.78 -3.17 -0.43 0.02 -1.36 -3.39 113.55 105.70 1yff h SER 35 Ca -0.14 -0.51 -0.61 0.00 -0.84 0.00 0.00 61.79 59.69 1yff h SER 35 Cb 1.63 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 63.54 1yff h SER 35 CO 0.16 1.29 -0.74 -0.36 -1.14 0.00 0.00 176.83 176.03 1yff s PHE 36 N -3.73 2.31 -0.96 3.45 0.40 -0.22 -5.00 117.98 114.23 1yff s PHE 36 Ca -0.09 -2.71 0.00 0.00 -0.60 0.00 0.00 56.93 53.54 1yff s PHE 36 Cb 0.09 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1yff s PHE 36 CO 0.88 -0.72 0.92 -2.30 0.70 0.00 0.00 175.22 174.70 1yff n PRO 37 N 2.90 0.00 0.23 0.24 -0.02 -1.23 -2.07 135.00 135.05 1yff n PRO 37 Ca 0.16 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 1yff n PRO 37 Cb 0.38 -1.55 0.27 0.00 -0.02 0.00 0.00 33.50 32.58 1yff n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1yff h THR 38 N 0.00 0.00 0.00 3.45 1.35 -1.91 -3.18 112.91 112.62 1yff h THR 38 Ca 0.00 -0.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 1yff h THR 38 Cb 0.09 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1yff h THR 38 CO 0.00 0.00 -0.08 0.71 -0.25 0.00 0.00 175.52 175.90 1yff h THR 39 N 0.00 0.18 -0.04 6.82 1.35 -1.74 -3.21 112.91 116.27 1yff h THR 39 Ca 0.00 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 1yff h THR 39 Cb 0.90 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1yff h THR 39 CO 0.00 0.08 -0.05 0.11 -0.25 0.00 0.00 175.52 175.41 1yff h LYS 40 N 0.00 0.05 0.00 4.72 1.57 -1.75 -2.83 116.57 118.33 1yff h LYS 40 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1yff h LYS 40 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1yff h LYS 40 CO 0.01 0.11 0.00 1.79 -0.57 0.00 0.00 179.45 180.79 1yff h THR 41 N 0.05 0.00 0.00 -0.16 1.35 -1.77 0.09 112.91 112.47 1yff h THR 41 Ca 0.01 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1yff h THR 41 Cb 0.12 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1yff h THR 41 CO 0.01 0.00 -0.18 -1.22 -0.25 0.00 0.00 175.52 173.88 1yff n TYR 42 N -2.57 0.03 -2.97 4.73 4.01 -1.07 -4.16 117.16 115.16 1yff n TYR 42 Ca -0.01 0.01 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1yff n TYR 42 Cb 0.11 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.68 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 -1.53 2.11 0.76 -0.72 3.01 0.02 -4.90 117.46 116.20 1yff n PHE 43 Ca 0.06 -3.73 0.12 0.00 1.01 0.00 0.00 57.45 54.92 1yff n PHE 43 Cb 0.34 -0.41 0.50 0.00 -0.01 0.00 0.00 39.48 39.90 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 -0.03 0.09 0.00 -1.08 -0.04 -1.25 -2.54 135.00 130.15 1yff n PRO 44 Ca 0.27 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1yff n PRO 44 Cb 0.57 -1.62 0.50 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.78 0.00 -4.04 0.54 1.44 -1.26 -4.91 115.22 105.21 1yff n HIS 45 Ca 0.06 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.48 1yff n HIS 45 Cb 0.32 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.37 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 -2.01 3.22 -0.35 -1.40 2.99 -1.05 -5.07 117.98 114.30 1yff s PHE 46 Ca 0.37 0.06 -0.19 0.00 0.00 0.00 0.00 56.93 57.17 1yff s PHE 46 Cb 0.21 -1.59 -0.00 0.00 0.00 0.00 0.00 43.02 41.63 1yff s PHE 46 CO 0.34 0.53 0.56 0.34 -0.00 0.00 0.00 175.22 176.98 1yff s ASP 47 N -2.72 6.36 0.00 1.36 3.68 -1.26 -4.95 116.67 119.14 1yff s ASP 47 Ca 0.31 0.04 0.21 0.00 2.13 0.00 0.00 52.55 55.24 1yff s ASP 47 Cb -0.11 -2.29 0.59 0.00 -1.45 0.00 0.00 42.92 39.66 1yff s ASP 47 CO 0.23 -0.52 1.49 0.18 0.13 0.00 0.00 175.17 176.69 1yff n LEU 48 N 5.84 3.60 -4.79 -1.34 4.77 -1.26 -4.53 117.00 119.29 1yff n LEU 48 Ca -0.03 -1.78 -0.32 0.00 -0.03 0.00 0.00 56.01 53.85 1yff n LEU 48 Cb 0.49 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1yff n LEU 48 CO 0.46 0.89 0.71 -0.94 -1.33 0.00 0.00 177.39 177.19 1yff s SER 49 N -1.04 5.07 0.25 -1.43 1.04 -1.26 -4.95 113.70 111.37 1yff s SER 49 Ca 0.45 1.80 -0.31 0.00 0.48 0.00 0.00 55.95 58.36 1yff s SER 49 Cb 0.23 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.71 1yff s SER 49 CO 0.31 -1.66 1.61 1.57 0.98 0.00 0.00 173.24 176.05 1yff n HIS 50 N -2.97 2.68 -0.87 5.02 -0.00 -1.26 -2.29 115.22 115.53 1yff n HIS 50 Ca 0.09 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.48 1yff n HIS 50 Cb 0.53 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 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 2.81 0.53 3.74 1.57 0.00 -1.26 -5.01 105.19 107.57 1yff n GLY 51 Ca 0.12 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1yff n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yff s SER 52 N -2.26 6.48 0.41 1.61 0.15 -0.97 -4.93 113.70 114.19 1yff s SER 52 Ca 0.00 2.81 0.17 0.00 0.70 0.00 0.00 55.95 59.63 1yff s SER 52 Cb 0.00 -2.62 0.89 0.00 -1.71 0.00 0.00 66.02 62.58 1yff s SER 52 CO 0.00 -0.85 1.87 0.00 1.20 0.00 0.00 173.24 175.46 1yff h ALA 53 N 5.55 1.30 0.01 5.45 0.00 -1.91 -1.62 119.26 128.03 1yff h ALA 53 Ca -0.45 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 53.95 1yff h ALA 53 Cb 1.21 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1yff h ALA 53 CO 0.84 0.38 -0.89 1.96 0.00 0.00 0.00 179.25 181.53 1yff h GLN 54 N 0.00 0.59 -0.24 0.00 4.20 -1.91 -0.83 115.11 116.91 1yff h GLN 54 Ca -0.00 -0.65 -0.16 0.00 0.06 0.00 0.00 58.65 57.89 1yff h GLN 54 Cb 0.62 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1yff h GLN 54 CO 0.04 1.25 -0.51 0.28 -0.67 0.00 0.00 178.83 179.22 1yff h VAL 55 N 0.20 1.30 -0.45 -0.54 2.07 -1.77 0.34 116.25 117.41 1yff h VAL 55 Ca -0.11 -1.73 -0.13 0.00 0.82 0.00 0.00 66.70 65.55 1yff h VAL 55 Cb 1.57 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1yff h VAL 55 CO 0.18 0.55 -0.24 0.11 0.02 0.00 0.00 177.57 178.18 1yff h LYS 56 N 0.53 0.94 -0.16 1.57 1.57 -1.35 -1.28 116.57 118.39 1yff h LYS 56 Ca 0.02 -0.41 -0.17 0.00 -1.87 0.00 0.00 60.65 58.21 1yff h LYS 56 Cb 1.08 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1yff h LYS 56 CO 0.10 1.07 -0.62 0.78 -0.57 0.00 0.00 179.45 180.22 1yff h GLY 57 N 0.89 0.62 1.86 3.86 0.00 -1.01 -3.14 103.07 106.14 1yff h GLY 57 Ca 0.10 -0.77 -0.18 0.00 0.00 0.00 0.00 47.33 46.48 1yff h GLY 57 CO 0.07 0.69 -0.80 0.84 0.00 0.00 0.00 176.54 177.34 1yff h HIS 58 N 0.42 0.19 -0.21 5.60 -0.00 -0.85 -3.11 115.15 117.19 1yff h HIS 58 Ca -0.01 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.37 60.22 1yff h HIS 58 Cb 1.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 1yff h HIS 58 CO 0.05 0.87 -0.08 0.78 -0.00 0.00 0.00 177.93 179.56 1yff h GLY 59 N 1.96 0.35 1.18 5.26 0.00 -1.22 0.03 103.07 110.62 1yff h GLY 59 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1yff h GLY 59 CO 0.12 0.19 -0.14 1.70 0.00 0.00 0.00 176.54 178.41 1yff h LYS 60 N 0.31 0.96 -0.31 4.80 1.63 -1.49 -0.03 116.57 122.42 1yff h LYS 60 Ca 0.07 -0.36 -0.12 0.00 -0.85 0.00 0.00 60.65 59.39 1yff h LYS 60 Cb 0.33 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1yff h LYS 60 CO 0.02 1.02 -0.27 0.87 -3.45 0.00 0.00 179.45 177.64 1yff h LYS 61 N 0.85 0.74 -0.15 1.90 1.57 -1.25 -1.19 116.57 119.03 1yff h LYS 61 Ca 0.13 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1yff h LYS 61 Cb 0.69 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1yff h LYS 61 CO 0.05 1.00 0.03 0.28 -0.57 0.00 0.00 179.45 180.24 1yff h VAL 62 N 0.50 1.21 -0.21 0.50 2.07 -0.86 -2.13 116.25 117.32 1yff h VAL 62 Ca 0.05 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 1yff h VAL 62 Cb 0.84 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1yff h VAL 62 CO 0.07 0.20 -0.23 0.00 0.02 0.00 0.00 177.57 177.63 1yff h ALA 63 N 0.83 1.21 0.00 1.67 0.00 -1.01 -1.98 119.26 119.98 1yff h ALA 63 Ca 0.05 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1yff h ALA 63 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1yff h ALA 63 CO 0.00 0.51 -0.52 -0.44 0.00 0.00 0.00 179.25 178.80 1yff h ASP 64 N 0.35 0.00 -0.05 0.00 3.45 -1.12 -1.32 116.42 117.74 1yff h ASP 64 Ca 0.06 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.29 1yff h ASP 64 Cb 0.60 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.38 1yff h ASP 64 CO 0.04 0.52 -0.83 0.00 -1.57 0.00 0.00 179.24 177.40 1yff h ALA 65 N 1.48 0.31 0.00 3.45 0.00 -1.08 -2.33 119.26 121.10 1yff h ALA 65 Ca -0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1yff h ALA 65 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1yff h ALA 65 CO 0.07 0.70 -0.34 -0.07 0.00 0.00 0.00 179.25 179.61 1yff h LEU 66 N 0.47 0.00 -0.32 0.00 3.38 -1.14 -0.91 115.31 116.80 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 1.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1yff h LEU 66 CO 0.17 0.34 -0.80 0.74 0.09 0.00 0.00 178.44 178.97 1yff h THR 67 N 0.00 1.39 0.00 0.22 2.02 -1.12 -1.87 112.91 113.54 1yff h THR 67 Ca -0.00 -2.24 -0.12 0.00 0.77 0.00 0.00 66.41 64.81 1yff h THR 67 Cb 0.71 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 1yff h THR 67 CO 0.04 0.67 -0.57 -1.13 0.37 0.00 0.00 175.52 174.90 1yff h ASN 68 N 0.27 0.00 -0.16 4.18 -0.73 -0.84 -2.45 115.58 115.84 1yff h ASN 68 Ca -0.05 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.94 1yff h ASN 68 Cb 1.40 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.99 1yff h ASN 68 CO 0.14 0.57 -0.60 0.00 -0.37 0.00 0.00 177.43 177.17 1yff h ALA 69 N 1.43 0.49 0.00 1.57 0.00 -0.95 -1.29 119.26 120.51 1yff h ALA 69 Ca -0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1yff h ALA 69 Cb 1.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1yff h ALA 69 CO 0.07 0.69 -0.35 0.28 0.00 0.00 0.00 179.25 179.94 1yff h VAL 70 N 0.57 1.06 -0.04 0.00 2.07 -1.16 -1.91 116.25 116.86 1yff h VAL 70 Ca -0.00 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1yff h VAL 70 Cb 1.20 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1yff h VAL 70 CO 0.13 0.34 -0.24 0.00 0.02 0.00 0.00 177.57 177.81 1yff h ALA 71 N 1.65 0.08 -1.21 1.67 0.00 -1.20 -3.32 119.26 116.93 1yff h ALA 71 Ca -0.00 -0.43 -0.71 0.00 0.00 0.00 0.00 54.91 53.77 1yff h ALA 71 Cb 0.70 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.17 1yff h ALA 71 CO 0.05 0.09 0.45 0.72 0.00 0.00 0.00 179.25 180.56 1yff n HIS 72 N -4.51 3.14 0.23 0.00 -0.00 -0.51 -4.76 115.22 108.81 1yff n HIS 72 Ca -0.09 -2.63 0.09 0.00 -0.00 0.00 0.00 57.72 55.09 1yff n HIS 72 Cb 0.47 -0.82 0.57 0.00 -0.00 0.00 0.00 29.99 30.21 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 2.22 0.78 0.00 1.59 3.04 -1.45 -1.73 116.25 120.70 1yff h VAL 73 Ca 0.47 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1yff h VAL 73 Cb 0.33 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1yff h VAL 73 CO 1.22 0.21 -0.34 0.44 -1.01 0.00 0.00 177.57 178.09 1yff h ASP 74 N 0.00 0.00 -1.57 3.17 3.32 -1.87 -3.38 116.42 116.09 1yff h ASP 74 Ca -0.00 -0.05 -0.43 0.00 0.02 0.00 0.00 57.03 56.57 1yff h ASP 74 Cb 0.50 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.70 1yff h ASP 74 CO 0.03 0.02 -1.04 -0.67 -1.72 0.00 0.00 179.24 175.86 1yff n ASP 75 N -2.60 0.13 -0.20 6.45 4.64 -0.96 -4.99 116.55 119.03 1yff n ASP 75 Ca 0.03 -3.15 -0.08 0.00 -1.38 0.00 0.00 54.79 50.21 1yff n ASP 75 Cb 0.49 -0.07 0.05 0.00 -1.04 0.00 0.00 41.12 40.55 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 3.03 1.03 -0.63 -0.67 2.86 -1.51 -3.03 114.93 116.01 1yff h MET 76 Ca 0.06 -0.32 0.07 0.00 -2.06 0.00 0.00 59.70 57.44 1yff h MET 76 Cb 0.99 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.52 1yff h MET 76 CO 0.42 1.01 0.42 -1.35 1.06 0.00 0.00 176.91 178.47 1yff h PRO 77 N 0.94 0.59 -0.07 -0.22 0.11 -1.94 -1.25 132.00 130.16 1yff h PRO 77 Ca 0.17 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.01 1yff h PRO 77 Cb 0.54 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1yff h PRO 77 CO 0.03 0.39 -0.88 -0.97 -0.21 0.00 0.00 178.00 176.36 1yff h ASN 78 N 0.61 0.79 -0.10 -2.05 -0.73 -1.95 -2.97 115.58 109.18 1yff h ASN 78 Ca 0.28 -0.57 -0.05 0.00 1.87 0.00 0.00 56.30 57.82 1yff h ASN 78 Cb 0.31 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 1yff h ASN 78 CO -0.08 1.36 -0.14 0.00 -0.37 0.00 0.00 177.43 178.19 1yff h ALA 79 N 0.61 0.15 -0.53 1.57 0.00 -1.33 -3.26 119.26 116.47 1yff h ALA 79 Ca -0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1yff h ALA 79 Cb 1.51 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1yff h ALA 79 CO 0.17 0.03 0.13 1.28 0.00 0.00 0.00 179.25 180.86 1yff n LEU 80 N -4.60 4.97 -0.30 0.00 4.77 -0.51 -4.61 117.00 116.71 1yff n LEU 80 Ca -0.07 -2.56 0.06 0.00 -0.03 0.00 0.00 56.01 53.42 1yff n LEU 80 Cb 0.37 -0.67 0.22 0.00 -2.33 0.00 0.00 43.42 41.00 1yff n LEU 80 CO 0.38 0.64 1.13 -1.28 -1.33 0.00 0.00 177.39 176.93 1yff h SER 81 N 2.46 0.63 0.40 -1.43 0.87 -1.56 -1.33 113.55 113.59 1yff h SER 81 Ca 0.13 0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 1yff h SER 81 Cb 1.85 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1yff h SER 81 CO 0.50 0.30 -0.66 0.00 -0.53 0.00 0.00 176.83 176.44 1yff h ALA 82 N 1.53 0.77 0.00 6.23 0.00 -1.88 -3.07 119.26 122.86 1yff h ALA 82 Ca 0.46 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1yff h ALA 82 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1yff h ALA 82 CO -0.32 0.77 -0.55 -0.07 0.00 0.00 0.00 179.25 179.07 1yff h LEU 83 N 0.17 0.00 -0.11 0.00 3.38 -1.64 -2.44 115.31 114.68 1yff h LEU 83 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1yff h LEU 83 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1yff h LEU 83 CO 0.10 0.55 -0.07 0.28 0.09 0.00 0.00 178.44 179.39 1yff h SER 84 N 0.00 0.25 -0.92 -0.43 0.02 -1.27 -1.21 113.55 109.98 1yff h SER 84 Ca -0.01 -0.44 0.08 0.00 -0.84 0.00 0.00 61.79 60.58 1yff h SER 84 Cb 1.11 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 1yff h SER 84 CO 0.07 0.64 0.60 -0.78 -1.14 0.00 0.00 176.83 176.22 1yff h ASP 85 N -0.14 0.90 0.21 3.07 1.82 -1.48 0.13 116.42 120.93 1yff h ASP 85 Ca 0.02 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1yff h ASP 85 Cb 0.55 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1yff h ASP 85 CO 0.02 0.56 -0.10 0.25 -1.61 0.00 0.00 179.24 178.36 1yff h LEU 86 N 1.01 -0.23 -0.36 2.28 7.12 -1.32 -2.23 115.31 121.58 1yff h LEU 86 Ca 0.41 -0.24 -0.18 0.00 0.13 0.00 0.00 57.88 58.00 1yff h LEU 86 Cb 0.27 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1yff h LEU 86 CO -0.17 0.30 -0.51 0.45 -0.13 0.00 0.00 178.44 178.38 1yff h HIS 87 N -0.96 1.04 0.06 1.25 3.86 -1.05 0.80 115.15 120.15 1yff h HIS 87 Ca -0.03 -0.36 -0.24 0.00 -1.16 0.00 0.00 60.37 58.58 1yff h HIS 87 Cb 0.46 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1yff h HIS 87 CO 0.06 1.17 -1.27 0.00 0.86 0.00 0.00 177.93 178.75 1yff h ALA 88 N 0.76 0.22 0.00 2.45 0.00 -0.70 0.16 119.26 122.15 1yff h ALA 88 Ca 0.02 -1.11 -0.03 0.00 0.00 0.00 0.00 54.91 53.80 1yff h ALA 88 Cb 1.11 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1yff h ALA 88 CO 0.11 0.75 -0.22 1.25 0.00 0.00 0.00 179.25 181.14 1yff h HIS 89 N -0.60 0.00 0.06 0.00 -0.00 -1.60 -3.27 115.15 109.75 1yff h HIS 89 Ca -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.06 1yff h HIS 89 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.95 1yff h HIS 89 CO 0.13 0.49 -0.03 0.87 -0.00 0.00 0.00 177.93 179.38 1yff h LYS 90 N -1.00 -0.08 0.00 5.26 6.56 -1.23 -3.38 116.57 122.70 1yff h LYS 90 Ca -0.04 0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.46 1yff h LYS 90 Cb 0.54 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 1yff h LYS 90 CO -0.02 0.01 -0.47 -0.07 -2.06 0.00 0.00 179.45 176.84 1yff h LEU 91 N -1.02 0.00 -2.70 2.94 3.38 -1.00 -3.48 115.31 113.43 1yff h LEU 91 Ca -0.01 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.52 1yff h LEU 91 Cb 0.13 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.93 1yff h LEU 91 CO 0.01 0.47 -0.91 0.54 0.09 0.00 0.00 178.44 178.64 1yff n ARG 92 N -3.44 -2.23 -2.41 1.13 1.74 -0.64 -4.93 116.66 105.88 1yff n ARG 92 Ca 0.00 0.48 -0.41 0.00 -0.77 0.00 0.00 57.85 57.15 1yff n ARG 92 Cb 0.61 -4.41 -0.03 0.00 -1.02 0.00 0.00 32.46 27.60 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 -3.60 3.74 -0.04 1.55 1.01 -0.05 -5.00 120.40 118.00 1yff s VAL 93 Ca 0.30 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 1yff s VAL 93 Cb -0.10 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1yff s VAL 93 CO 0.86 0.20 1.38 -0.62 0.00 0.00 0.00 175.10 176.92 1yff s ASP 94 N 0.34 6.87 0.59 3.32 -1.08 -1.26 -4.89 116.67 120.55 1yff s ASP 94 Ca 0.54 2.02 0.31 0.00 -0.52 0.00 0.00 52.55 54.89 1yff s ASP 94 Cb -0.31 -2.55 1.30 0.00 -1.46 0.00 0.00 42.92 39.89 1yff s ASP 94 CO 0.34 -0.74 1.63 -0.65 0.52 0.00 0.00 175.17 176.28 1yff h PRO 95 N 8.07 0.00 -0.23 4.34 0.11 -1.96 -0.05 132.00 142.28 1yff h PRO 95 Ca -0.36 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 1yff h PRO 95 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1yff h PRO 95 CO 0.92 0.00 -0.17 0.28 -0.21 0.00 0.00 178.00 178.82 1yff h VAL 96 N 0.00 1.23 -0.15 3.15 2.07 -2.01 -2.46 116.25 118.09 1yff h VAL 96 Ca 0.42 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1yff h VAL 96 Cb 2.20 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1yff h VAL 96 CO -0.00 0.33 -0.03 0.78 0.02 0.00 0.00 177.57 178.66 1yff h ASN 97 N 0.37 0.19 0.26 0.57 4.21 -1.39 -1.77 115.58 118.03 1yff h ASN 97 Ca 0.07 -0.02 -0.14 0.00 1.21 0.00 0.00 56.30 57.41 1yff h ASN 97 Cb 0.51 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1yff h ASN 97 CO 0.03 0.27 -0.56 -0.26 -1.29 0.00 0.00 177.43 175.62 1yff h PHE 98 N 0.21 0.40 -0.07 1.19 0.04 -1.58 -0.76 116.94 116.37 1yff h PHE 98 Ca 0.05 -0.14 -0.12 0.00 2.80 0.00 0.00 57.97 60.55 1yff h PHE 98 Cb 0.20 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1yff h PHE 98 CO 0.00 0.80 -0.52 0.87 -0.60 0.00 0.00 178.31 178.87 1yff h LYS 99 N 0.24 0.19 -0.08 1.51 1.57 -1.28 -1.53 116.57 117.19 1yff h LYS 99 Ca 0.00 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.45 1yff h LYS 99 Cb 1.06 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.39 1yff h LYS 99 CO 0.09 0.66 -0.81 -0.07 -0.57 0.00 0.00 179.45 178.75 1yff h LEU 100 N 0.15 0.86 -0.36 2.94 3.38 -1.05 -2.06 115.31 119.16 1yff h LEU 100 Ca 0.00 -0.68 -0.18 0.00 0.09 0.00 0.00 57.88 57.11 1yff h LEU 100 Cb 0.96 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1yff h LEU 100 CO 0.08 1.41 -0.56 0.25 0.09 0.00 0.00 178.44 179.71 1yff h LEU 101 N 0.37 0.86 -1.01 1.67 5.85 -1.11 -2.53 115.31 119.43 1yff h LEU 101 Ca -0.08 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.18 1yff h LEU 101 Cb 1.46 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1yff h LEU 101 CO 0.16 1.24 0.64 0.28 -0.34 0.00 0.00 178.44 180.43 1yff h SER 102 N 0.59 1.15 -0.27 1.25 0.02 -1.29 0.18 113.55 115.18 1yff h SER 102 Ca 0.01 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1yff h SER 102 Cb 1.15 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1yff h SER 102 CO 0.12 0.84 0.03 -0.74 -1.14 0.00 0.00 176.83 175.94 1yff h HIS 103 N 1.35 0.48 -0.09 3.45 -0.00 -1.32 -1.65 115.15 117.36 1yff h HIS 103 Ca 0.36 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.60 1yff h HIS 103 Cb -0.14 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1yff h HIS 103 CO 0.00 0.56 -0.21 0.00 -0.00 0.00 0.00 177.93 178.29 1yff h LEU 105 N 0.15 0.71 -0.63 0.00 3.38 -0.34 -1.22 115.31 117.35 1yff h LEU 105 Ca 0.03 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 1yff h LEU 105 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1yff h LEU 105 CO 0.03 0.99 -0.64 -0.07 0.09 0.00 0.00 178.44 178.83 1yff h LEU 106 N 0.57 0.20 -0.51 1.67 3.38 -0.48 -1.66 115.31 118.49 1yff h LEU 106 Ca 0.06 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1yff h LEU 106 Cb 0.85 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1yff h LEU 106 CO 0.07 0.79 -0.52 0.58 0.09 0.00 0.00 178.44 179.45 1yff h VAL 107 N 0.12 1.31 -0.29 1.22 2.07 -0.77 -1.50 116.25 118.41 1yff h VAL 107 Ca -0.01 -1.75 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 1yff h VAL 107 Cb 1.16 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1yff h VAL 107 CO 0.10 0.55 -0.10 0.74 0.02 0.00 0.00 177.57 178.88 1yff h THR 108 N 0.48 1.29 -0.37 2.57 2.02 -1.08 -1.34 112.91 116.46 1yff h THR 108 Ca 0.02 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 65.96 1yff h THR 108 Cb 1.07 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1yff h THR 108 CO 0.10 0.37 -0.07 -0.07 0.37 0.00 0.00 175.52 176.22 1yff h LEU 109 N 0.33 0.60 -0.41 2.58 3.38 -1.24 -2.04 115.31 118.51 1yff h LEU 109 Ca 0.07 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1yff h LEU 109 Cb 0.60 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1yff h LEU 109 CO 0.03 0.72 -0.44 0.00 0.09 0.00 0.00 178.44 178.85 1yff h ALA 110 N 1.35 0.59 0.00 1.53 0.00 -1.14 -0.06 119.26 121.52 1yff h ALA 110 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1yff h ALA 110 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1yff h ALA 110 CO 0.03 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1yff h ALA 111 N 0.81 1.00 0.00 0.00 0.00 -1.00 -3.36 119.26 116.70 1yff h ALA 111 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1yff h ALA 111 Cb 1.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1yff h ALA 111 CO 0.10 0.00 -1.71 0.72 0.00 0.00 0.00 179.25 178.36 1yff n HIS 112 N -3.03 0.00 -3.77 0.00 -0.00 -0.79 -4.85 115.22 102.78 1yff n HIS 112 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.47 1yff n HIS 112 Cb 0.43 -0.51 -0.12 0.00 -0.00 0.00 0.00 29.99 29.79 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 -4.87 3.91 0.36 2.41 1.43 -0.04 -4.97 118.68 116.90 1yff s LEU 113 Ca -0.07 -3.61 0.16 0.00 -1.03 0.00 0.00 54.13 49.58 1yff s LEU 113 Cb 0.03 -1.32 0.69 0.00 0.03 0.00 0.00 46.19 45.62 1yff s LEU 113 CO 0.41 -0.11 1.77 -0.65 0.23 0.00 0.00 176.35 178.00 1yff h PRO 114 N 5.52 0.00 0.00 1.29 0.11 -1.79 -2.65 132.00 134.47 1yff h PRO 114 Ca 0.17 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.09 1yff h PRO 114 Cb 0.80 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1yff h PRO 114 CO 0.62 0.41 -0.88 0.00 -0.21 0.00 0.00 178.00 177.94 1yff h ALA 115 N 1.59 0.53 0.00 -0.75 0.00 -1.94 -3.29 119.26 115.40 1yff h ALA 115 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1yff h ALA 115 Cb 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1yff h ALA 115 CO 0.05 1.10 -0.88 0.93 0.00 0.00 0.00 179.25 180.46 1yff h GLU 116 N 0.00 0.00 -2.60 0.00 3.07 -1.95 -3.40 114.58 109.71 1yff h GLU 116 Ca -0.01 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.19 1yff h GLU 116 Cb 1.58 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.40 1yff h GLU 116 CO 0.11 0.00 2.35 0.34 -1.40 0.00 0.00 179.01 180.42 1yff n PHE 117 N -2.58 2.27 -2.29 4.33 7.35 -1.00 -4.74 117.46 120.80 1yff n PHE 117 Ca 0.01 -2.70 -0.32 0.00 -0.76 0.00 0.00 57.45 53.68 1yff n PHE 117 Cb 0.53 -1.93 -0.02 0.00 0.35 0.00 0.00 39.48 38.40 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 -0.34 4.53 0.42 -2.13 -4.23 -1.26 -4.80 115.64 107.83 1yff s THR 118 Ca 0.59 1.14 0.23 0.00 -1.18 0.00 0.00 61.69 62.48 1yff s THR 118 Cb 0.22 -3.73 0.43 0.00 1.34 0.00 0.00 72.50 70.76 1yff s THR 118 CO -0.10 -0.76 1.73 -0.65 -0.54 0.00 0.00 174.62 174.30 1yff h PRO 119 N 0.68 0.27 -0.17 3.99 0.11 -1.99 0.64 132.00 135.52 1yff h PRO 119 Ca -0.46 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1yff h PRO 119 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1yff h PRO 119 CO 0.61 0.18 -0.47 0.00 -0.21 0.00 0.00 178.00 178.11 1yff h ALA 120 N 1.60 0.87 0.06 -0.75 0.00 -1.96 -2.22 119.26 116.87 1yff h ALA 120 Ca 0.66 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1yff h ALA 120 Cb 1.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1yff h ALA 120 CO -0.32 0.66 -1.09 0.28 0.00 0.00 0.00 179.25 178.77 1yff h VAL 121 N 0.36 1.55 -0.50 0.00 2.07 -1.21 -2.19 116.25 116.32 1yff h VAL 121 Ca 0.02 -3.02 0.00 0.00 0.82 0.00 0.00 66.70 64.52 1yff h VAL 121 Cb 0.96 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 1yff h VAL 121 CO 0.08 0.88 0.32 -0.74 0.02 0.00 0.00 177.57 178.13 1yff h HIS 122 N 0.07 0.64 -0.51 1.57 6.17 -1.16 0.48 115.15 122.41 1yff h HIS 122 Ca -0.08 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 60.99 1yff h HIS 122 Cb 1.80 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 31.50 1yff h HIS 122 CO 0.04 0.42 0.26 0.00 0.71 0.00 0.00 177.93 179.36 1yff h ALA 123 N 1.17 0.66 -0.34 5.26 0.00 -1.35 -1.13 119.26 123.53 1yff h ALA 123 Ca 0.18 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1yff h ALA 123 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1yff h ALA 123 CO -0.04 0.21 -0.34 0.77 0.00 0.00 0.00 179.25 179.86 1yff h SER 124 N 0.69 0.80 0.11 0.00 0.02 -0.94 -2.55 113.55 111.68 1yff h SER 124 Ca 0.18 -0.34 -0.20 0.00 -0.84 0.00 0.00 61.79 60.59 1yff h SER 124 Cb 0.10 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1yff h SER 124 CO -0.02 1.07 -0.75 -0.07 -1.14 0.00 0.00 176.83 175.92 1yff h LEU 125 N 0.64 0.65 -0.65 5.07 3.38 -0.81 -1.94 115.31 121.66 1yff h LEU 125 Ca 0.07 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1yff h LEU 125 Cb 0.88 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1yff h LEU 125 CO 0.08 1.19 0.37 -0.78 0.09 0.00 0.00 178.44 179.38 1yff h ASP 126 N 0.37 0.80 -0.06 -0.43 1.82 -1.13 -0.44 116.42 117.35 1yff h ASP 126 Ca -0.04 -0.08 -0.11 0.00 -0.39 0.00 0.00 57.03 56.41 1yff h ASP 126 Cb 1.34 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.13 1yff h ASP 126 CO 0.14 0.65 -0.31 0.11 -1.61 0.00 0.00 179.24 178.21 1yff h LYS 127 N 0.88 0.53 0.26 0.28 1.57 -1.41 -1.43 116.57 117.25 1yff h LYS 127 Ca 0.23 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1yff h LYS 127 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1yff h LYS 127 CO -0.04 0.79 -0.12 0.35 -0.57 0.00 0.00 179.45 179.85 1yff h PHE 128 N 0.46 -0.32 -0.40 -1.35 3.57 -0.84 -0.88 116.94 117.17 1yff h PHE 128 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1yff h PHE 128 Cb 0.77 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1yff h PHE 128 CO 0.03 -0.01 0.21 -0.07 -2.23 0.00 0.00 178.31 176.25 1yff h LEU 129 N -0.64 0.49 -0.62 0.59 3.38 -1.03 -0.09 115.31 117.38 1yff h LEU 129 Ca -0.04 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1yff h LEU 129 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1yff h LEU 129 CO 0.06 0.40 -0.39 0.00 0.09 0.00 0.00 178.44 178.60 1yff h ALA 130 N 1.68 0.80 -0.42 1.53 0.00 -1.17 0.10 119.26 121.79 1yff h ALA 130 Ca 0.14 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1yff h ALA 130 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yff h ALA 130 CO -0.02 0.65 -0.24 0.77 0.00 0.00 0.00 179.25 180.41 1yff h SER 131 N 0.53 0.88 -0.36 0.00 0.02 0.05 -0.94 113.55 113.74 1yff h SER 131 Ca 0.05 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.51 1yff h SER 131 Cb 0.91 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1yff h SER 131 CO 0.08 1.08 -0.36 0.58 -1.14 0.00 0.00 176.83 177.07 1yff h VAL 132 N 0.74 1.27 -0.67 2.27 2.07 -0.80 -2.70 116.25 118.43 1yff h VAL 132 Ca 0.10 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 1yff h VAL 132 Cb 0.78 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1yff h VAL 132 CO 0.06 0.51 0.33 0.28 0.02 0.00 0.00 177.57 178.77 1yff h SER 133 N 0.74 0.88 -0.56 0.57 0.02 -0.53 -1.80 113.55 112.88 1yff h SER 133 Ca 0.07 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1yff h SER 133 Cb 0.94 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 1yff h SER 133 CO 0.09 0.77 0.17 0.74 -1.14 0.00 0.00 176.83 177.46 1yff h THR 134 N 0.94 1.23 -0.39 -2.27 2.02 -1.08 -0.76 112.91 112.60 1yff h THR 134 Ca 0.23 -0.81 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 1yff h THR 134 Cb 0.12 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1yff h THR 134 CO -0.03 0.31 -0.30 0.58 0.37 0.00 0.00 175.52 176.45 1yff h VAL 135 N 0.88 1.28 0.00 3.16 2.07 -1.14 -2.95 116.25 119.55 1yff h VAL 135 Ca 0.20 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1yff h VAL 135 Cb 0.27 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1yff h VAL 135 CO -0.01 0.49 0.00 -0.07 0.02 0.00 0.00 177.57 178.01 1yff h LEU 136 N 0.70 0.00 -0.02 2.57 3.38 -0.97 -3.19 115.31 117.79 1yff h LEU 136 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yff h LEU 136 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1yff h LEU 136 CO 0.08 0.00 -0.62 0.35 0.09 0.00 0.00 178.44 178.34 1yff n THR 137 N -2.53 0.00 -4.31 0.22 -2.24 -0.32 -3.17 114.28 101.94 1yff n THR 137 Ca 0.05 -0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 1yff n THR 137 Cb 0.46 0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.99 5.28 -0.30 3.42 1.04 -1.12 -4.81 113.70 114.22 1yff s SER 138 Ca 0.11 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.51 1yff s SER 138 Cb 0.17 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.79 1yff s SER 138 CO 0.74 0.34 0.27 -0.54 0.98 0.00 0.00 173.24 175.03 1yff s LYS 139 N -1.18 3.83 -0.33 4.02 1.02 -1.26 -4.73 119.74 121.11 1yff s LYS 139 Ca 0.16 -0.29 0.15 0.00 0.02 0.00 0.00 55.97 56.01 1yff s LYS 139 Cb -0.11 -3.71 0.46 0.00 -0.52 0.00 0.00 37.83 33.95 1yff s LYS 139 CO 0.06 -0.30 1.04 2.48 -0.92 0.00 0.00 175.35 177.71 1yff n TYR 140 N 5.19 1.80 1.88 3.18 4.11 -1.26 -5.16 117.16 126.91 1yff n TYR 140 Ca -0.12 -2.65 0.15 0.00 -0.00 0.00 0.00 57.90 55.28 1yff n TYR 140 Cb 0.51 -0.28 0.90 0.00 -0.00 0.00 0.00 39.34 40.46 1yff n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40