#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yff n LEU 2 N 0.00 0.00 -3.54 7.52 4.77 -1.26 -5.11 117.00 119.38 1yff n LEU 2 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1yff n LEU 2 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1yff n LEU 2 CO 0.00 0.00 0.39 -0.55 -1.33 0.00 0.00 177.39 175.90 1yff s SER 3 N -1.00 -0.60 0.57 -1.43 0.15 -1.26 -5.01 113.70 105.13 1yff s SER 3 Ca 0.00 0.60 0.38 0.00 0.70 0.00 0.00 55.95 57.63 1yff s SER 3 Cb 0.00 0.52 2.00 0.00 -1.71 0.00 0.00 66.02 66.83 1yff s SER 3 CO 0.00 -0.62 2.17 -0.65 1.20 0.00 0.00 173.24 175.34 1yff h PRO 4 N 3.02 0.00 0.00 5.44 0.11 -2.01 -0.31 132.00 138.26 1yff h PRO 4 Ca -0.28 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.62 1yff h PRO 4 Cb 1.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1yff h PRO 4 CO 0.39 0.00 -1.48 0.00 -0.21 0.00 0.00 178.00 176.70 1yff h ALA 5 N 2.01 0.69 -0.07 -0.75 0.00 -1.99 -3.14 119.26 116.00 1yff h ALA 5 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 54.91 53.78 1yff h ALA 5 Cb 0.10 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1yff h ALA 5 CO 0.00 1.18 -0.18 -0.44 0.00 0.00 0.00 179.25 179.80 1yff h ASP 6 N 0.00 0.29 -0.95 0.00 3.32 -1.60 -2.80 116.42 114.68 1yff h ASP 6 Ca -0.20 -0.59 0.03 0.00 0.02 0.00 0.00 57.03 56.29 1yff h ASP 6 Cb 1.75 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 41.16 1yff h ASP 6 CO 0.06 0.83 0.62 0.11 -1.72 0.00 0.00 179.24 179.14 1yff h LYS 7 N -0.24 1.17 -0.44 3.56 1.57 -1.25 -0.39 116.57 120.55 1yff h LYS 7 Ca -0.00 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1yff h LYS 7 Cb 0.79 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1yff h LYS 7 CO 0.04 0.77 0.05 1.15 -0.57 0.00 0.00 179.45 180.90 1yff h THR 8 N 1.20 1.25 -0.09 -0.16 2.02 -1.58 -0.77 112.91 114.78 1yff h THR 8 Ca 0.38 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 1yff h THR 8 Cb -0.01 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1yff h THR 8 CO -0.12 0.32 -0.51 0.78 0.37 0.00 0.00 175.52 176.36 1yff h ASN 9 N 0.59 0.27 -0.06 4.18 -0.26 -1.16 -2.01 115.58 117.14 1yff h ASN 9 Ca 0.13 -0.14 -0.23 0.00 -0.56 0.00 0.00 56.30 55.51 1yff h ASN 9 Cb 0.41 -0.08 0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1yff h ASN 9 CO 0.01 0.74 -0.85 0.58 -1.06 0.00 0.00 177.43 176.86 1yff h VAL 10 N 0.20 1.30 -0.72 2.81 2.07 -0.89 -1.96 116.25 119.07 1yff h VAL 10 Ca 0.01 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 1yff h VAL 10 Cb 0.98 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1yff h VAL 10 CO 0.08 0.65 0.24 0.11 0.02 0.00 0.00 177.57 178.67 1yff h LYS 11 N 0.36 1.10 -0.17 1.57 1.57 -1.08 -1.65 116.57 118.28 1yff h LYS 11 Ca -0.09 -0.23 -0.19 0.00 -1.87 0.00 0.00 60.65 58.27 1yff h LYS 11 Cb 1.50 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1yff h LYS 11 CO 0.17 0.94 -0.67 0.00 -0.57 0.00 0.00 179.45 179.32 1yff h ALA 12 N 1.11 0.50 -0.02 3.86 0.00 -1.39 -1.38 119.26 121.94 1yff h ALA 12 Ca 0.23 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1yff h ALA 12 Cb 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yff h ALA 12 CO -0.01 0.70 -0.63 0.00 0.00 0.00 0.00 179.25 179.32 1yff h ALA 13 N 0.77 0.10 0.00 0.00 0.00 -1.30 -3.14 119.26 115.69 1yff h ALA 13 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1yff h ALA 13 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1yff h ALA 13 CO 0.13 0.39 0.00 1.87 0.00 0.00 0.00 179.25 181.64 1yff n TRP 14 N -4.18 0.61 0.09 0.00 -0.00 -0.63 -2.81 117.44 110.53 1yff n TRP 14 Ca -0.10 0.20 -0.04 0.00 -0.00 0.00 0.00 57.50 57.56 1yff n TRP 14 Cb 0.68 -0.82 -0.00 0.00 -0.00 0.00 0.00 31.31 31.16 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 3.81 0.00 -0.22 5.87 0.00 -1.20 -3.10 103.07 108.23 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 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1yff n LYS 16 N -3.47 1.36 -0.03 4.80 4.76 -1.12 -3.66 118.16 120.79 1yff n LYS 16 Ca -0.00 -0.54 -0.02 0.00 -2.87 0.00 0.00 58.31 54.88 1yff n LYS 16 Cb 0.81 -1.29 -0.01 0.00 -1.84 0.00 0.00 35.03 32.71 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 1.04 0.00 0.00 -0.18 2.07 -1.65 -3.48 116.25 114.05 1yff h VAL 17 Ca 0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1yff h VAL 17 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 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 1.72 1.19 0.22 2.17 0.00 -1.24 -1.99 105.19 107.27 1yff n GLY 18 Ca -0.03 0.55 0.09 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.65 1.09 -0.02 4.61 0.00 -1.92 -3.07 119.26 119.31 1yff h ALA 19 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yff h ALA 19 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yff h ALA 19 CO 0.00 0.29 0.00 0.72 0.00 0.00 0.00 179.25 180.26 1yff n HIS 20 N -3.50 0.03 -0.04 0.00 -0.00 -0.84 -4.43 115.22 106.43 1yff n HIS 20 Ca -0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 1yff n HIS 20 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.36 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 3.08 -0.24 0.00 -1.41 0.00 -1.73 -2.00 119.26 116.96 1yff h ALA 21 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1yff h ALA 21 Cb 0.03 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yff h ALA 21 CO 0.00 -0.73 -0.11 0.78 0.00 0.00 0.00 179.25 179.19 1yff h GLY 22 N -0.31 0.00 0.81 0.00 0.00 -1.82 -0.81 103.07 100.94 1yff h GLY 22 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.21 1yff h GLY 22 CO -0.40 0.00 -1.13 -2.09 0.00 0.00 0.00 176.54 172.92 1yff h GLU 23 N 0.00 0.35 -0.30 4.80 4.81 -1.83 -3.11 114.58 119.31 1yff h GLU 23 Ca -0.00 -0.60 -0.09 0.00 -0.13 0.00 0.00 59.36 58.54 1yff h GLU 23 Cb 0.46 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1yff h GLU 23 CO 0.01 1.29 -0.15 1.88 -0.73 0.00 0.00 179.01 181.32 1yff h TYR 24 N -0.21 0.73 -0.46 0.92 0.99 -1.14 0.47 116.97 118.26 1yff h TYR 24 Ca -0.21 -0.18 -0.10 0.00 2.00 0.00 0.00 58.73 60.24 1yff h TYR 24 Cb 1.82 -0.17 -0.02 0.00 1.00 0.00 0.00 36.73 39.36 1yff h TYR 24 CO 0.16 0.86 -0.11 0.78 -0.00 0.00 0.00 178.16 179.86 1yff h GLY 25 N 0.39 0.91 1.44 3.88 0.00 -1.31 -1.22 103.07 107.17 1yff h GLY 25 Ca 0.07 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.54 1yff h GLY 25 CO 0.04 0.64 -0.55 0.00 0.00 0.00 0.00 176.54 176.68 1yff h ALA 26 N 1.12 0.68 -0.44 3.60 0.00 -1.47 -1.32 119.26 121.43 1yff h ALA 26 Ca 0.13 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1yff h ALA 26 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1yff h ALA 26 CO 0.04 0.69 -0.23 1.49 0.00 0.00 0.00 179.25 181.24 1yff h GLU 27 N 0.45 0.90 -0.47 0.00 4.81 -0.73 -0.05 114.58 119.49 1yff h GLU 27 Ca 0.01 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 1yff h GLU 27 Cb 1.10 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1yff h GLU 27 CO 0.11 1.03 -0.10 0.00 -0.73 0.00 0.00 179.01 179.31 1yff h ALA 28 N 0.96 0.93 -0.31 2.92 0.00 -1.06 0.47 119.26 123.17 1yff h ALA 28 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1yff h ALA 28 Cb 0.78 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1yff h ALA 28 CO 0.06 0.62 -0.11 -0.07 0.00 0.00 0.00 179.25 179.75 1yff h LEU 29 N 0.77 0.64 -0.72 0.00 3.38 -0.97 -1.96 115.31 116.44 1yff h LEU 29 Ca 0.13 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 1yff h LEU 29 Cb 0.61 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1yff h LEU 29 CO 0.04 0.88 0.12 -0.08 0.09 0.00 0.00 178.44 179.49 1yff h GLU 30 N 0.39 1.10 -0.25 1.13 4.81 -0.72 -1.82 114.58 119.22 1yff h GLU 30 Ca 0.07 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1yff h GLU 30 Cb 0.62 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1yff h GLU 30 CO 0.04 1.00 -0.11 0.00 -0.73 0.00 0.00 179.01 179.21 1yff h ARG 31 N 1.04 0.41 -0.16 1.92 3.08 -0.85 -2.53 114.38 117.29 1yff h ARG 31 Ca 0.21 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1yff h ARG 31 Cb 0.42 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1yff h ARG 31 CO 0.01 0.53 -0.23 1.98 -1.07 0.00 0.00 179.97 181.18 1yff h MET 32 N 0.39 0.45 -0.43 0.04 4.05 -0.80 -2.66 114.93 115.97 1yff h MET 32 Ca 0.08 -0.26 -0.09 0.00 -0.28 0.00 0.00 59.70 59.14 1yff h MET 32 Cb 0.43 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1yff h MET 32 CO 0.02 0.85 -0.10 0.74 0.23 0.00 0.00 176.91 178.65 1yff h PHE 33 N 0.08 0.83 0.00 1.39 0.04 -1.16 -0.03 116.94 118.09 1yff h PHE 33 Ca 0.02 -0.15 -0.18 0.00 2.80 0.00 0.00 57.97 60.46 1yff h PHE 33 Cb 0.80 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 1yff h PHE 33 CO 0.09 0.82 -0.86 -0.07 -0.60 0.00 0.00 178.31 177.69 1yff h LEU 34 N 0.69 0.00 0.13 1.54 3.38 -1.55 -3.17 115.31 116.33 1yff h LEU 34 Ca 0.12 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.74 1yff h LEU 34 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1yff h LEU 34 CO 0.04 0.83 -1.84 0.28 0.09 0.00 0.00 178.44 177.84 1yff h SER 35 N 0.00 0.44 -3.10 -0.43 0.02 -1.43 -3.42 113.55 105.63 1yff h SER 35 Ca -0.02 -0.81 -0.61 0.00 -0.84 0.00 0.00 61.79 59.51 1yff h SER 35 Cb 1.65 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.64 1yff h SER 35 CO 0.11 1.71 -0.74 -0.36 -1.14 0.00 0.00 176.83 176.40 1yff s PHE 36 N -2.58 2.30 -0.52 3.45 0.40 -0.03 -4.99 117.98 116.01 1yff s PHE 36 Ca -0.17 -2.72 0.10 0.00 -0.60 0.00 0.00 56.93 53.54 1yff s PHE 36 Cb 0.06 -1.93 0.53 0.00 0.51 0.00 0.00 43.02 42.19 1yff s PHE 36 CO 0.81 -0.72 1.26 -2.30 0.70 0.00 0.00 175.22 174.97 1yff n PRO 37 N 2.84 0.06 0.19 0.24 -0.02 -1.20 -2.22 135.00 134.90 1yff n PRO 37 Ca 0.18 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 1yff n PRO 37 Cb 0.38 -1.77 0.37 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.97 0.00 3.45 1.35 -1.92 -3.03 112.91 113.73 1yff h THR 38 Ca 0.00 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1yff h THR 38 Cb 0.13 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1yff h THR 38 CO 0.00 0.36 0.00 0.71 -0.25 0.00 0.00 175.52 176.34 1yff h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.78 -3.17 112.91 116.13 1yff h THR 39 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1yff h THR 39 Cb 0.82 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1yff h THR 39 CO 0.05 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.43 1yff h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.73 -2.89 116.57 118.24 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1yff h LYS 40 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 1yff n THR 41 N -2.62 0.32 0.70 -0.16 -2.24 -1.20 -2.66 114.28 106.41 1yff n THR 41 Ca 0.00 -0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 1yff n THR 41 Cb 0.19 -0.61 0.27 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.76 0.46 -3.11 4.78 4.01 -1.09 -4.29 117.16 116.16 1yff n TYR 42 Ca 0.06 0.13 -0.23 0.00 -0.16 0.00 0.00 57.90 57.70 1yff n TYR 42 Cb 0.34 -0.61 -0.04 0.00 -0.31 0.00 0.00 39.34 38.72 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 -1.96 2.00 0.10 -0.72 3.01 -1.09 -4.91 117.46 113.89 1yff n PHE 43 Ca 0.04 -3.90 -0.04 0.00 1.01 0.00 0.00 57.45 54.56 1yff n PHE 43 Cb 0.41 -0.45 0.08 0.00 -0.01 0.00 0.00 39.48 39.50 1yff n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yff h PRO 44 N 3.21 0.08 -0.01 -1.08 0.13 -1.75 -3.14 132.00 129.45 1yff h PRO 44 Ca 0.12 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1yff h PRO 44 Cb 0.75 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1yff h PRO 44 CO 0.66 0.78 0.00 -2.39 -0.23 0.00 0.00 178.00 176.81 1yff n HIS 45 N -3.72 0.00 -4.63 1.56 1.44 -1.26 -4.76 115.22 103.86 1yff n HIS 45 Ca -0.02 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.37 1yff n HIS 45 Cb 0.71 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.70 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 -1.99 2.77 -0.32 -1.40 2.99 -1.19 -5.08 117.98 113.76 1yff s PHE 46 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 56.93 56.56 1yff s PHE 46 Cb 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 43.02 41.44 1yff s PHE 46 CO 0.00 0.29 0.91 0.34 -0.00 0.00 0.00 175.22 176.76 1yff s ASP 47 N -1.21 6.75 -0.07 1.36 3.68 -1.26 -4.92 116.67 121.00 1yff s ASP 47 Ca 0.15 0.77 0.20 0.00 2.13 0.00 0.00 52.55 55.79 1yff s ASP 47 Cb -0.11 -2.46 0.70 0.00 -1.45 0.00 0.00 42.92 39.60 1yff s ASP 47 CO 0.05 -0.75 1.60 0.18 0.13 0.00 0.00 175.17 176.38 1yff n LEU 48 N 6.52 4.48 -4.79 -1.34 4.77 -1.26 -4.44 117.00 120.95 1yff n LEU 48 Ca 0.07 -2.29 -0.31 0.00 -0.03 0.00 0.00 56.01 53.45 1yff n LEU 48 Cb 0.48 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1yff n LEU 48 CO 0.55 0.88 0.71 -0.94 -1.33 0.00 0.00 177.39 177.25 1yff s SER 49 N -0.95 4.96 -0.01 -1.43 1.04 -1.26 -4.94 113.70 111.11 1yff s SER 49 Ca 0.50 1.76 -0.30 0.00 0.48 0.00 0.00 55.95 58.40 1yff s SER 49 Cb 0.30 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.84 1yff s SER 49 CO 0.28 -1.73 1.79 -2.28 0.98 0.00 0.00 173.24 172.29 1yff s HIS 50 N -2.87 1.67 0.00 5.02 2.46 -1.26 -2.00 115.29 118.31 1yff s HIS 50 Ca 0.61 -0.10 0.00 0.00 0.47 0.00 0.00 55.06 56.04 1yff s HIS 50 Cb -0.16 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 1yff s HIS 50 CO 0.53 -4.63 0.00 0.41 -2.47 0.00 0.00 174.74 168.58 1yff n GLY 51 N 4.31 0.84 3.76 1.59 0.00 -1.26 -5.06 105.19 109.38 1yff n GLY 51 Ca 0.18 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.10 6.38 0.33 1.61 0.15 -0.85 -4.94 113.70 114.28 1yff s SER 52 Ca 0.00 2.98 0.15 0.00 0.70 0.00 0.00 55.95 59.78 1yff s SER 52 Cb 0.00 -2.65 0.54 0.00 -1.71 0.00 0.00 66.02 62.20 1yff s SER 52 CO 0.00 -0.88 1.69 0.00 1.20 0.00 0.00 173.24 175.24 1yff h ALA 53 N 4.01 1.01 0.01 5.45 0.00 -1.91 -2.19 119.26 125.64 1yff h ALA 53 Ca -0.49 -0.44 -0.25 0.00 0.00 0.00 0.00 54.91 53.73 1yff h ALA 53 Cb 1.23 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1yff h ALA 53 CO 0.72 0.60 -1.02 1.96 0.00 0.00 0.00 179.25 181.52 1yff h GLN 54 N 0.00 0.59 -0.28 0.00 4.20 -1.92 -1.09 115.11 116.61 1yff h GLN 54 Ca -0.00 -0.64 -0.13 0.00 0.06 0.00 0.00 58.65 57.93 1yff h GLN 54 Cb 0.97 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1yff h GLN 54 CO 0.06 1.25 -0.36 0.28 -0.67 0.00 0.00 178.83 179.39 1yff h VAL 55 N 0.33 1.29 -0.02 -0.54 2.07 -1.76 0.11 116.25 117.72 1yff h VAL 55 Ca -0.11 -1.51 -0.15 0.00 0.82 0.00 0.00 66.70 65.75 1yff h VAL 55 Cb 1.66 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1yff h VAL 55 CO 0.19 0.48 -0.66 0.11 0.02 0.00 0.00 177.57 177.71 1yff h LYS 56 N 0.53 0.09 -0.02 1.57 1.57 -1.41 -0.14 116.57 118.75 1yff h LYS 56 Ca 0.05 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1yff h LYS 56 Cb 0.87 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.20 1yff h LYS 56 CO 0.07 0.72 -0.55 0.78 -0.57 0.00 0.00 179.45 179.91 1yff h GLY 57 N 1.82 0.45 1.64 3.86 0.00 -0.79 -3.19 103.07 106.86 1yff h GLY 57 Ca -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.44 1yff h GLY 57 CO 0.09 0.66 -0.47 0.84 0.00 0.00 0.00 176.54 177.66 1yff h HIS 58 N -0.10 0.48 -0.19 5.60 -0.00 -0.79 -2.85 115.15 117.30 1yff h HIS 58 Ca -0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1yff h HIS 58 Cb 1.25 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.55 1yff h HIS 58 CO 0.14 0.80 0.12 0.78 -0.00 0.00 0.00 177.93 179.77 1yff h GLY 59 N 1.20 0.26 0.81 5.26 0.00 -1.07 -0.02 103.07 109.50 1yff h GLY 59 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1yff h GLY 59 CO 0.08 0.10 -0.27 1.70 0.00 0.00 0.00 176.54 178.15 1yff h LYS 60 N 0.25 0.46 -0.68 4.80 1.63 -1.49 -1.87 116.57 119.67 1yff h LYS 60 Ca 0.07 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1yff h LYS 60 Cb -0.03 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1yff h LYS 60 CO -0.01 0.88 0.37 0.87 -3.45 0.00 0.00 179.45 178.11 1yff h LYS 61 N 0.09 0.94 -0.27 1.90 1.57 -1.20 0.18 116.57 119.78 1yff h LYS 61 Ca 0.01 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1yff h LYS 61 Cb 0.85 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1yff h LYS 61 CO 0.06 0.71 0.13 0.28 -0.57 0.00 0.00 179.45 180.05 1yff h VAL 62 N 0.93 1.16 -0.41 0.50 2.07 -1.01 -1.81 116.25 117.68 1yff h VAL 62 Ca 0.24 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1yff h VAL 62 Cb 0.04 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1yff h VAL 62 CO -0.04 0.16 -0.20 0.00 0.02 0.00 0.00 177.57 177.52 1yff h ALA 63 N 0.98 0.89 -0.10 1.67 0.00 -1.03 -1.89 119.26 119.77 1yff h ALA 63 Ca 0.09 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1yff h ALA 63 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yff h ALA 63 CO -0.01 0.63 -0.37 -0.44 0.00 0.00 0.00 179.25 179.06 1yff h ASP 64 N 0.69 0.21 -0.25 0.00 3.45 -0.86 -1.00 116.42 118.67 1yff h ASP 64 Ca 0.10 -0.08 -0.18 0.00 0.43 0.00 0.00 57.03 57.31 1yff h ASP 64 Cb 0.70 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1yff h ASP 64 CO 0.05 0.57 -0.51 0.00 -1.57 0.00 0.00 179.24 177.78 1yff h ALA 65 N 1.45 0.54 0.00 3.45 0.00 -1.06 -1.54 119.26 122.10 1yff h ALA 65 Ca 0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1yff h ALA 65 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1yff h ALA 65 CO 0.06 0.68 -0.42 -0.07 0.00 0.00 0.00 179.25 179.49 1yff h LEU 66 N 0.65 0.00 -0.27 0.00 3.38 -0.97 -0.89 115.31 117.21 1yff h LEU 66 Ca 0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1yff h LEU 66 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1yff h LEU 66 CO 0.11 0.42 -0.75 0.74 0.09 0.00 0.00 178.44 179.05 1yff h THR 67 N 0.00 1.32 0.00 0.22 2.02 -0.99 -1.94 112.91 113.54 1yff h THR 67 Ca -0.00 -2.04 -0.09 0.00 0.77 0.00 0.00 66.41 65.05 1yff h THR 67 Cb 0.89 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1yff h THR 67 CO 0.06 0.63 -0.41 -1.13 0.37 0.00 0.00 175.52 175.04 1yff h ASN 68 N 0.43 0.00 0.60 4.18 -0.00 -0.92 -2.08 115.58 117.79 1yff h ASN 68 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.07 1yff h ASN 68 Cb 1.36 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.67 1yff h ASN 68 CO 0.14 0.41 -0.86 0.00 -0.00 0.00 0.00 177.43 177.13 1yff h ALA 69 N 1.59 0.55 -0.05 1.57 0.00 -0.94 -2.44 119.26 119.54 1yff h ALA 69 Ca -0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 54.91 54.01 1yff h ALA 69 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1yff h ALA 69 CO 0.05 0.92 -0.74 0.28 0.00 0.00 0.00 179.25 179.77 1yff h VAL 70 N 0.10 1.41 0.34 0.00 2.07 -1.08 -2.74 116.25 116.34 1yff h VAL 70 Ca -0.04 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 1yff h VAL 70 Cb 1.48 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1yff h VAL 70 CO 0.13 0.66 -0.16 0.00 0.02 0.00 0.00 177.57 178.22 1yff h ALA 71 N 1.02 -0.45 -1.29 1.67 0.00 -1.32 -3.25 119.26 115.63 1yff h ALA 71 Ca -0.03 -0.17 -0.75 0.00 0.00 0.00 0.00 54.91 53.96 1yff h ALA 71 Cb 1.31 0.17 -0.30 0.00 0.00 0.00 0.00 17.79 18.97 1yff h ALA 71 CO 0.12 -0.63 0.71 0.72 0.00 0.00 0.00 179.25 180.17 1yff n HIS 72 N -5.18 3.05 0.21 0.00 -0.00 -0.93 -4.77 115.22 107.60 1yff n HIS 72 Ca -0.10 -2.68 0.08 0.00 -0.00 0.00 0.00 57.72 55.02 1yff n HIS 72 Cb 0.26 -1.02 0.47 0.00 -0.00 0.00 0.00 29.99 29.70 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 2.25 0.79 0.00 1.59 3.04 -1.52 -2.38 116.25 120.02 1yff h VAL 73 Ca 0.48 -1.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1yff h VAL 73 Cb 0.28 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1yff h VAL 73 CO 1.21 0.27 -0.56 0.47 -1.01 0.00 0.00 177.57 177.95 1yff n ASP 74 N -3.61 0.57 -2.81 3.17 8.00 -1.26 -4.18 116.55 116.43 1yff n ASP 74 Ca -0.01 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.31 1yff n ASP 74 Cb 0.41 0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.71 1yff n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yff n ASP 75 N -1.80 1.59 -0.27 -2.24 4.64 -1.10 -4.97 116.55 112.41 1yff n ASP 75 Ca 0.04 -2.90 -0.07 0.00 -1.38 0.00 0.00 54.79 50.49 1yff n ASP 75 Cb 0.39 -0.55 0.06 0.00 -1.04 0.00 0.00 41.12 39.98 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 2.97 1.16 -0.01 -0.67 2.86 -1.60 -2.86 114.93 116.79 1yff h MET 76 Ca -0.01 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1yff h MET 76 Cb 1.08 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1yff h MET 76 CO 0.53 0.99 -0.04 -1.35 1.06 0.00 0.00 176.91 178.11 1yff h PRO 77 N 1.11 0.01 0.23 -0.22 0.11 -1.93 -1.98 132.00 129.32 1yff h PRO 77 Ca 0.24 -0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.00 1yff h PRO 77 Cb 0.32 -0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.45 1yff h PRO 77 CO -0.01 0.05 -1.60 -0.97 -0.21 0.00 0.00 178.00 175.26 1yff h ASN 78 N 0.01 0.75 -0.04 -2.05 -0.73 -1.94 -2.92 115.58 108.65 1yff h ASN 78 Ca 0.00 -0.93 -0.11 0.00 1.87 0.00 0.00 56.30 57.13 1yff h ASN 78 Cb 0.07 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 1yff h ASN 78 CO 0.00 1.75 -0.33 0.00 -0.37 0.00 0.00 177.43 178.49 1yff h ALA 79 N 0.13 0.98 -0.51 1.57 0.00 -1.32 -3.02 119.26 117.10 1yff h ALA 79 Ca -0.30 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 1yff h ALA 79 Cb 2.13 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 1yff h ALA 79 CO 0.23 0.60 0.09 1.28 0.00 0.00 0.00 179.25 181.46 1yff n LEU 80 N -4.07 5.08 -0.32 0.00 4.77 -0.76 -4.68 117.00 117.02 1yff n LEU 80 Ca -0.01 -3.17 0.02 0.00 -0.03 0.00 0.00 56.01 52.82 1yff n LEU 80 Cb 0.46 -0.66 0.20 0.00 -2.33 0.00 0.00 43.42 41.09 1yff n LEU 80 CO 0.43 0.78 1.26 -1.28 -1.33 0.00 0.00 177.39 177.26 1yff h SER 81 N 2.43 0.98 0.14 -1.43 0.87 -1.37 -0.16 113.55 115.01 1yff h SER 81 Ca 0.13 -0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.48 1yff h SER 81 Cb 1.90 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1yff h SER 81 CO 0.49 0.66 -0.78 0.00 -0.53 0.00 0.00 176.83 176.66 1yff h ALA 82 N 1.47 0.46 0.00 6.23 0.00 -1.84 -3.02 119.26 122.57 1yff h ALA 82 Ca 0.38 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1yff h ALA 82 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yff h ALA 82 CO -0.12 0.74 -0.41 -0.07 0.00 0.00 0.00 179.25 179.39 1yff h LEU 83 N 0.35 0.00 -0.08 0.00 3.38 -1.72 -2.41 115.31 114.83 1yff h LEU 83 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1yff h LEU 83 Cb 1.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.15 1yff h LEU 83 CO 0.14 0.41 -0.67 0.28 0.09 0.00 0.00 178.44 178.69 1yff h SER 84 N 0.00 0.73 0.42 -0.43 0.02 -1.05 -1.81 113.55 111.44 1yff h SER 84 Ca -0.00 -0.67 -0.09 0.00 -0.84 0.00 0.00 61.79 60.18 1yff h SER 84 Cb 0.89 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1yff h SER 84 CO 0.05 1.30 -0.42 0.44 -1.14 0.00 0.00 176.83 177.06 1yff h ASP 85 N 0.23 0.00 -0.02 3.07 3.32 -1.47 -0.31 116.42 121.24 1yff h ASP 85 Ca -0.06 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 1yff h ASP 85 Cb 1.32 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.88 1yff h ASP 85 CO 0.14 0.42 -0.32 0.25 -1.72 0.00 0.00 179.24 178.01 1yff h LEU 86 N 0.00 0.32 0.07 1.55 7.12 -1.38 -2.20 115.31 120.80 1yff h LEU 86 Ca -0.00 -0.73 -0.28 0.00 0.13 0.00 0.00 57.88 57.00 1yff h LEU 86 Cb 0.75 -0.10 0.02 0.00 -0.53 0.00 0.00 40.66 40.80 1yff h LEU 86 CO 0.05 1.00 -1.21 0.45 -0.13 0.00 0.00 178.44 178.60 1yff h HIS 87 N -0.33 0.79 0.00 1.25 3.86 -1.29 -1.06 115.15 118.37 1yff h HIS 87 Ca -0.03 -0.51 -0.04 0.00 -1.16 0.00 0.00 60.37 58.62 1yff h HIS 87 Cb 1.03 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1yff h HIS 87 CO 0.16 1.37 -0.31 0.00 0.86 0.00 0.00 177.93 180.01 1yff h ALA 88 N 0.44 0.04 0.15 2.45 0.00 -1.11 -1.30 119.26 119.94 1yff h ALA 88 Ca -0.16 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.10 1yff h ALA 88 Cb 1.89 0.22 0.02 0.00 0.00 0.00 0.00 17.79 19.93 1yff h ALA 88 CO 0.22 0.22 -0.97 0.45 0.00 0.00 0.00 179.25 179.17 1yff h HIS 89 N -1.00 0.59 0.00 0.00 3.86 -1.55 -3.25 115.15 113.81 1yff h HIS 89 Ca -0.06 -0.43 -0.03 0.00 -1.16 0.00 0.00 60.37 58.70 1yff h HIS 89 Cb 0.58 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1yff h HIS 89 CO 0.05 1.37 -0.25 -0.22 0.86 0.00 0.00 177.93 179.74 1yff h LYS 90 N -0.30 0.00 0.00 2.45 3.11 -1.43 -3.40 116.57 117.01 1yff h LYS 90 Ca -0.18 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 1yff h LYS 90 Cb 1.73 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.96 1yff h LYS 90 CO 0.16 0.33 -0.29 -0.07 -2.81 0.00 0.00 179.45 176.77 1yff h LEU 91 N -1.00 0.00 -2.41 5.20 3.38 -1.35 -3.49 115.31 115.65 1yff h LEU 91 Ca -0.04 -0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.50 1yff h LEU 91 Cb 0.47 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.27 1yff h LEU 91 CO -0.02 0.00 -0.89 0.54 0.09 0.00 0.00 178.44 178.16 1yff n ARG 92 N -2.97 -2.91 -2.42 1.13 1.74 -0.96 -4.94 116.66 105.33 1yff n ARG 92 Ca 0.03 0.52 -0.41 0.00 -0.77 0.00 0.00 57.85 57.22 1yff n ARG 92 Cb 0.53 -4.64 -0.04 0.00 -1.02 0.00 0.00 32.46 27.29 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 -3.65 3.65 0.06 1.55 1.01 -0.53 -5.01 120.40 117.47 1yff s VAL 93 Ca 0.21 1.42 -0.31 0.00 0.00 0.00 0.00 61.98 63.31 1yff s VAL 93 Cb -0.07 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 1yff s VAL 93 CO 0.85 0.24 1.35 -0.62 0.00 0.00 0.00 175.10 176.92 1yff s ASP 94 N -0.05 6.89 0.62 3.32 -1.08 -1.26 -4.88 116.67 120.23 1yff s ASP 94 Ca 0.51 2.18 0.29 0.00 -0.52 0.00 0.00 52.55 55.01 1yff s ASP 94 Cb -0.32 -2.57 1.57 0.00 -1.46 0.00 0.00 42.92 40.14 1yff s ASP 94 CO 0.37 -0.64 1.93 -0.65 0.52 0.00 0.00 175.17 176.70 1yff h PRO 95 N 7.21 0.00 -0.14 4.34 0.11 -1.98 -0.72 132.00 140.83 1yff h PRO 95 Ca -0.40 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 1yff h PRO 95 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1yff h PRO 95 CO 0.87 0.00 -0.63 0.28 -0.21 0.00 0.00 178.00 178.31 1yff h VAL 96 N 0.00 1.34 0.00 3.15 2.07 -2.01 -3.07 116.25 117.73 1yff h VAL 96 Ca 0.10 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 1yff h VAL 96 Cb 0.86 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1yff h VAL 96 CO -0.00 0.59 -0.01 0.78 0.02 0.00 0.00 177.57 178.95 1yff h ASN 97 N 0.37 0.00 1.12 0.57 -0.26 -1.52 0.04 115.58 115.90 1yff h ASN 97 Ca -0.01 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.55 1yff h ASN 97 Cb 1.19 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.43 1yff h ASN 97 CO 0.12 0.01 -0.86 -0.26 -1.06 0.00 0.00 177.43 175.37 1yff h PHE 98 N 0.00 0.00 0.00 1.19 0.04 -1.64 -2.31 116.94 114.22 1yff h PHE 98 Ca -0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1yff h PHE 98 Cb 0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1yff h PHE 98 CO 0.00 0.86 -0.68 0.87 -0.60 0.00 0.00 178.31 178.77 1yff h LYS 99 N 0.00 0.00 0.08 1.51 1.57 -1.05 -2.15 116.57 116.53 1yff h LYS 99 Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1yff h LYS 99 Cb 1.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.96 1yff h LYS 99 CO 0.11 0.68 -1.14 -0.07 -0.57 0.00 0.00 179.45 178.46 1yff h LEU 100 N 0.00 0.33 0.09 2.94 3.38 -1.37 -2.42 115.31 118.27 1yff h LEU 100 Ca -0.01 -0.34 -0.28 0.00 0.09 0.00 0.00 57.88 57.34 1yff h LEU 100 Cb 1.37 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 42.03 1yff h LEU 100 CO 0.09 1.24 -1.24 0.25 0.09 0.00 0.00 178.44 178.87 1yff h LEU 101 N 0.07 0.61 -1.17 1.67 5.85 -1.45 -2.86 115.31 118.02 1yff h LEU 101 Ca -0.10 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 57.99 1yff h LEU 101 Cb 1.86 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 1yff h LEU 101 CO 0.18 1.45 0.24 0.28 -0.34 0.00 0.00 178.44 180.24 1yff h SER 102 N 0.15 0.74 -0.20 1.25 0.02 -1.44 0.27 113.55 114.35 1yff h SER 102 Ca -0.16 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1yff h SER 102 Cb 1.93 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1yff h SER 102 CO 0.22 0.66 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.77 1yff h HIS 103 N 0.81 0.45 -0.15 3.45 -0.00 -1.47 -2.30 115.15 115.92 1yff h HIS 103 Ca 0.20 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 1yff h HIS 103 Cb 0.14 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1yff h HIS 103 CO 0.01 0.65 -0.10 0.00 -0.00 0.00 0.00 177.93 178.49 1yff h LEU 105 N 0.23 0.35 -0.15 0.00 3.38 -0.83 -1.03 115.31 117.26 1yff h LEU 105 Ca 0.05 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.63 1yff h LEU 105 Cb 0.33 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1yff h LEU 105 CO 0.02 0.75 -0.91 -0.07 0.09 0.00 0.00 178.44 178.32 1yff h LEU 106 N 0.27 0.75 -0.45 1.67 3.38 -0.73 -1.48 115.31 118.72 1yff h LEU 106 Ca 0.02 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 1yff h LEU 106 Cb 0.90 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1yff h LEU 106 CO 0.07 1.35 0.04 0.58 0.09 0.00 0.00 178.44 180.58 1yff h VAL 107 N 0.37 1.25 -0.30 1.22 2.07 -0.95 -0.93 116.25 118.99 1yff h VAL 107 Ca -0.08 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1yff h VAL 107 Cb 1.54 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1yff h VAL 107 CO 0.17 0.33 0.12 0.74 0.02 0.00 0.00 177.57 178.96 1yff h THR 108 N 0.62 1.17 0.00 2.57 2.02 -1.18 -0.28 112.91 117.84 1yff h THR 108 Ca 0.13 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1yff h THR 108 Cb 0.43 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1yff h THR 108 CO 0.01 0.18 -0.24 -0.07 0.37 0.00 0.00 175.52 175.77 1yff h LEU 109 N 0.33 0.00 0.03 2.58 3.38 -1.15 -1.89 115.31 118.59 1yff h LEU 109 Ca 0.10 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 1yff h LEU 109 Cb 0.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1yff h LEU 109 CO -0.01 0.24 -1.14 0.00 0.09 0.00 0.00 178.44 177.62 1yff h ALA 110 N 1.76 0.11 0.00 1.53 0.00 -0.77 -1.32 119.26 120.56 1yff h ALA 110 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1yff h ALA 110 Cb 0.47 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1yff h ALA 110 CO 0.03 0.74 -0.07 0.00 0.00 0.00 0.00 179.25 179.95 1yff h ALA 111 N 0.44 1.00 0.00 0.00 0.00 -0.62 -3.35 119.26 116.74 1yff h ALA 111 Ca -0.15 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 1yff h ALA 111 Cb 1.81 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1yff h ALA 111 CO 0.21 0.09 -1.70 0.72 0.00 0.00 0.00 179.25 178.58 1yff n HIS 112 N -3.19 0.00 -3.62 0.00 -0.00 -0.75 -4.86 115.22 102.80 1yff n HIS 112 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1yff n HIS 112 Cb 0.37 -0.50 -0.10 0.00 -0.00 0.00 0.00 29.99 29.76 1yff n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yff n LEU 113 N -2.38 2.38 0.28 2.41 4.77 -0.50 -4.96 117.00 119.00 1yff n LEU 113 Ca -0.17 -5.09 0.16 0.00 -0.03 0.00 0.00 56.01 50.89 1yff n LEU 113 Cb 0.83 -0.38 0.73 0.00 -2.33 0.00 0.00 43.42 42.27 1yff n LEU 113 CO 0.22 1.89 0.99 -0.65 -1.33 0.00 0.00 177.39 178.50 1yff h PRO 114 N 4.96 0.00 0.02 3.23 0.11 -1.81 -0.67 132.00 137.84 1yff h PRO 114 Ca 0.18 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.04 1yff h PRO 114 Cb 0.76 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 1yff h PRO 114 CO 0.67 0.05 -1.29 0.00 -0.21 0.00 0.00 178.00 177.21 1yff h ALA 115 N 1.95 0.47 0.00 -0.75 0.00 -1.94 -3.34 119.26 115.66 1yff h ALA 115 Ca -0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 54.91 53.56 1yff h ALA 115 Cb 0.46 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1yff h ALA 115 CO 0.01 1.34 -1.38 0.93 0.00 0.00 0.00 179.25 180.14 1yff h GLU 116 N 0.01 0.00 -3.32 0.00 3.07 -1.90 -3.40 114.58 109.03 1yff h GLU 116 Ca -0.13 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.03 1yff h GLU 116 Cb 1.88 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.76 1yff h GLU 116 CO 0.12 0.64 3.28 0.34 -1.40 0.00 0.00 179.01 181.99 1yff n PHE 117 N -3.14 2.85 -2.18 4.33 7.35 -0.28 -4.70 117.46 121.70 1yff n PHE 117 Ca -0.10 -3.00 -0.28 0.00 -0.76 0.00 0.00 57.45 53.31 1yff n PHE 117 Cb 0.98 -2.38 0.03 0.00 0.35 0.00 0.00 39.48 38.45 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 1.92 3.82 0.50 -2.13 -4.23 -1.26 -4.83 115.64 109.43 1yff s THR 118 Ca 0.58 0.29 0.17 0.00 -1.18 0.00 0.00 61.69 61.54 1yff s THR 118 Cb 0.16 -3.54 0.31 0.00 1.34 0.00 0.00 72.50 70.77 1yff s THR 118 CO -0.07 -0.63 2.07 -0.65 -0.54 0.00 0.00 174.62 174.80 1yff h PRO 119 N -0.33 0.13 -0.40 3.99 0.11 -1.99 -0.53 132.00 132.97 1yff h PRO 119 Ca -0.45 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1yff h PRO 119 Cb 1.24 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1yff h PRO 119 CO 0.62 0.09 -0.35 0.00 -0.21 0.00 0.00 178.00 178.15 1yff h ALA 120 N 1.85 0.62 0.00 -0.75 0.00 -1.95 -1.95 119.26 117.08 1yff h ALA 120 Ca 0.13 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1yff h ALA 120 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1yff h ALA 120 CO -0.02 0.68 -0.83 0.28 0.00 0.00 0.00 179.25 179.36 1yff h VAL 121 N 0.78 1.58 -0.44 0.00 2.07 -1.70 -2.46 116.25 116.08 1yff h VAL 121 Ca 0.07 -2.80 -0.04 0.00 0.82 0.00 0.00 66.70 64.76 1yff h VAL 121 Cb 0.93 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1yff h VAL 121 CO 0.09 0.80 0.14 -0.74 0.02 0.00 0.00 177.57 177.88 1yff h HIS 122 N 0.01 0.71 -0.80 1.57 6.17 -0.98 -0.56 115.15 121.27 1yff h HIS 122 Ca -0.01 -0.07 -0.02 0.00 0.71 0.00 0.00 60.37 60.98 1yff h HIS 122 Cb 1.47 -0.21 -0.04 0.00 2.52 0.00 0.00 27.41 31.15 1yff h HIS 122 CO 0.00 0.64 0.43 0.00 0.71 0.00 0.00 177.93 179.71 1yff h ALA 123 N 0.99 1.02 -0.22 5.26 0.00 -1.24 -1.64 119.26 123.43 1yff h ALA 123 Ca 0.14 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1yff h ALA 123 Cb 0.27 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1yff h ALA 123 CO -0.00 0.54 -0.29 0.77 0.00 0.00 0.00 179.25 180.27 1yff h SER 124 N 1.11 0.63 0.10 0.00 0.02 -1.12 -2.71 113.55 111.58 1yff h SER 124 Ca 0.28 -0.50 -0.12 0.00 -0.84 0.00 0.00 61.79 60.61 1yff h SER 124 Cb 0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1yff h SER 124 CO -0.04 1.01 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.20 1yff h LEU 125 N 0.27 0.41 -0.67 5.07 3.38 -1.03 -0.79 115.31 121.95 1yff h LEU 125 Ca 0.03 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1yff h LEU 125 Cb 0.86 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1yff h LEU 125 CO 0.07 0.76 -0.00 -0.78 0.09 0.00 0.00 178.44 178.58 1yff h ASP 126 N 0.33 1.01 -0.21 -0.43 1.82 -1.29 -0.75 116.42 116.88 1yff h ASP 126 Ca 0.03 -0.28 -0.16 0.00 -0.39 0.00 0.00 57.03 56.23 1yff h ASP 126 Cb 0.83 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1yff h ASP 126 CO 0.07 1.06 -0.46 0.11 -1.61 0.00 0.00 179.24 178.40 1yff h LYS 127 N 0.94 0.78 0.13 0.28 1.57 -1.21 -1.19 116.57 117.87 1yff h LYS 127 Ca 0.17 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1yff h LYS 127 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1yff h LYS 127 CO 0.03 1.07 -0.06 0.35 -0.57 0.00 0.00 179.45 180.27 1yff h PHE 128 N 0.62 -0.17 -0.28 -1.35 3.57 -0.97 -0.80 116.94 117.57 1yff h PHE 128 Ca 0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1yff h PHE 128 Cb 1.04 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1yff h PHE 128 CO 0.06 0.09 0.03 -0.07 -2.23 0.00 0.00 178.31 176.19 1yff h LEU 129 N -0.41 0.38 -0.70 0.59 3.38 -1.14 -0.55 115.31 116.86 1yff h LEU 129 Ca -0.02 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1yff h LEU 129 Cb 0.33 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yff h LEU 129 CO 0.03 0.42 -0.51 0.00 0.09 0.00 0.00 178.44 178.47 1yff h ALA 130 N 1.63 0.89 -0.16 1.53 0.00 -1.08 -0.75 119.26 121.31 1yff h ALA 130 Ca 0.09 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1yff h ALA 130 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yff h ALA 130 CO 0.00 0.67 -0.62 0.77 0.00 0.00 0.00 179.25 180.07 1yff h SER 131 N 0.28 0.65 -0.35 0.00 0.02 -0.23 -1.66 113.55 112.25 1yff h SER 131 Ca 0.01 -0.38 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 1yff h SER 131 Cb 1.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1yff h SER 131 CO 0.09 1.11 -0.20 0.58 -1.14 0.00 0.00 176.83 177.27 1yff h VAL 132 N 0.42 1.29 -0.77 2.27 2.07 -0.93 -2.69 116.25 117.91 1yff h VAL 132 Ca -0.01 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1yff h VAL 132 Cb 1.19 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 1yff h VAL 132 CO 0.12 0.44 0.44 0.28 0.02 0.00 0.00 177.57 178.87 1yff h SER 133 N 0.53 0.94 -0.81 0.57 0.02 -1.04 -1.55 113.55 112.21 1yff h SER 133 Ca 0.07 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yff h SER 133 Cb 0.75 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1yff h SER 133 CO 0.06 0.75 0.52 0.74 -1.14 0.00 0.00 176.83 177.75 1yff h THR 134 N 1.05 1.21 -0.23 -2.27 2.02 -1.21 -2.05 112.91 111.44 1yff h THR 134 Ca 0.27 -0.42 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 1yff h THR 134 Cb -0.00 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 1yff h THR 134 CO -0.05 0.21 -0.55 0.58 0.37 0.00 0.00 175.52 176.08 1yff h VAL 135 N 1.10 1.30 0.00 3.16 2.07 -1.14 -2.90 116.25 119.84 1yff h VAL 135 Ca 0.29 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1yff h VAL 135 Cb -0.10 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1yff h VAL 135 CO -0.06 0.56 0.00 0.18 0.02 0.00 0.00 177.57 178.27 1yff n LEU 136 N -3.98 0.00 -0.26 2.57 4.77 -0.62 -3.01 117.00 116.48 1yff n LEU 136 Ca -0.04 0.46 0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1yff n LEU 136 Cb 0.62 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1yff n LEU 136 CO 0.49 -0.00 0.16 0.35 -1.33 0.00 0.00 177.39 177.05 1yff n THR 137 N -1.46 0.00 -2.40 -5.08 -2.24 -0.80 -3.63 114.28 98.67 1yff n THR 137 Ca 0.08 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1yff n THR 137 Cb 0.32 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1yff n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1yff s SER 138 N -2.31 6.86 -0.25 3.42 0.01 -1.10 -4.92 113.70 115.41 1yff s SER 138 Ca 0.12 1.61 0.03 0.00 1.31 0.00 0.00 55.95 59.02 1yff s SER 138 Cb 0.14 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.89 1yff s SER 138 CO 0.56 -0.85 -0.11 -1.59 0.41 0.00 0.00 173.24 171.66 1yff s LYS 139 N 3.70 2.23 -0.46 12.44 -2.85 -1.26 -4.73 119.74 128.81 1yff s LYS 139 Ca 0.56 -1.25 -0.05 0.00 -1.00 0.00 0.00 55.97 54.23 1yff s LYS 139 Cb -0.21 -2.81 0.12 0.00 -2.06 0.00 0.00 37.83 32.87 1yff s LYS 139 CO 0.17 -0.54 0.28 1.52 0.10 0.00 0.00 175.35 176.89 1yff s TYR 140 N 1.16 3.52 -0.78 1.78 -0.85 -1.26 -5.12 117.35 115.80 1yff s TYR 140 Ca -0.07 -2.25 0.00 0.00 -0.52 0.00 0.00 57.07 54.23 1yff s TYR 140 Cb -0.19 -3.33 0.00 0.00 0.38 0.00 0.00 41.96 38.82 1yff s TYR 140 CO -0.06 -0.97 0.19 0.54 -1.52 0.00 0.00 175.55 173.74