#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mko s LEU 2 N 0.00 3.93 0.87 7.52 1.43 -1.26 -5.10 118.68 126.07 1mko s LEU 2 Ca 0.00 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1mko s LEU 2 Cb 0.00 -2.46 0.11 0.00 0.03 0.00 0.00 46.19 43.87 1mko s LEU 2 CO 0.00 0.22 1.09 -0.94 0.23 0.00 0.00 176.35 176.95 1mko s SER 3 N -2.12 3.75 0.49 2.29 1.04 -1.26 -4.81 113.70 113.08 1mko s SER 3 Ca 0.27 1.47 0.19 0.00 0.48 0.00 0.00 55.95 58.36 1mko s SER 3 Cb -0.12 -2.16 1.25 0.00 0.10 0.00 0.00 66.02 65.09 1mko s SER 3 CO 0.19 -2.46 2.07 -0.65 0.98 0.00 0.00 173.24 173.37 1mko h PRO 4 N -1.43 0.00 0.00 4.02 0.11 -2.00 -1.61 132.00 131.09 1mko h PRO 4 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1mko h PRO 4 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1mko h PRO 4 CO 0.55 0.11 -0.51 0.00 -0.21 0.00 0.00 178.00 177.94 1mko h ALA 5 N 1.89 0.74 -0.34 -0.75 0.00 -2.00 -2.74 119.26 116.06 1mko h ALA 5 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1mko h ALA 5 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1mko h ALA 5 CO 0.01 0.64 -0.15 -0.44 0.00 0.00 0.00 179.25 179.32 1mko h ASP 6 N 0.00 0.72 -0.86 0.00 3.32 -1.65 -1.41 116.42 116.54 1mko h ASP 6 Ca -0.01 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1mko h ASP 6 Cb 1.27 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1mko h ASP 6 CO 0.07 0.96 0.54 0.11 -1.72 0.00 0.00 179.24 179.19 1mko h LYS 7 N 0.48 1.16 -0.42 3.56 1.57 -1.46 -1.13 116.57 120.32 1mko h LYS 7 Ca 0.08 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1mko h LYS 7 Cb 0.68 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1mko h LYS 7 CO 0.05 0.80 -0.11 1.15 -0.57 0.00 0.00 179.45 180.76 1mko h THR 8 N 1.18 1.26 -0.20 -0.16 2.02 -1.22 -2.36 112.91 113.42 1mko h THR 8 Ca 0.31 -1.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.24 1mko h THR 8 Cb -0.08 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1mko h THR 8 CO -0.06 0.39 -0.27 0.78 0.37 0.00 0.00 175.52 176.74 1mko h ASN 9 N 0.68 0.58 -0.25 4.18 2.35 -0.82 -1.99 115.58 120.31 1mko h ASN 9 Ca 0.12 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1mko h ASN 9 Cb 0.58 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1mko h ASN 9 CO 0.04 0.97 0.13 0.58 -1.65 0.00 0.00 177.43 177.50 1mko h VAL 10 N 0.20 1.12 -0.19 2.81 2.07 -1.22 0.15 116.25 121.18 1mko h VAL 10 Ca 0.02 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1mko h VAL 10 Cb 0.84 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1mko h VAL 10 CO 0.06 0.12 -0.07 0.11 0.02 0.00 0.00 177.57 177.81 1mko h LYS 11 N 0.29 0.30 -0.06 1.57 1.57 -1.47 0.24 116.57 119.01 1mko h LYS 11 Ca 0.09 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1mko h LYS 11 Cb 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1mko h LYS 11 CO -0.01 0.39 -0.14 0.00 -0.57 0.00 0.00 179.45 179.11 1mko h ALA 12 N 1.64 0.09 0.33 3.86 0.00 -0.60 -0.37 119.26 124.22 1mko h ALA 12 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1mko h ALA 12 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1mko h ALA 12 CO 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.10 1mko h ALA 13 N 0.46 -0.45 0.00 0.00 0.00 -0.57 -2.56 119.26 116.14 1mko h ALA 13 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mko h ALA 13 Cb 0.74 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1mko h ALA 13 CO 0.03 -0.62 -0.05 2.35 0.00 0.00 0.00 179.25 180.96 1mko h TRP 14 N -0.72 0.00 -0.49 0.00 2.91 -0.60 -1.07 115.95 115.98 1mko h TRP 14 Ca -0.05 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.86 1mko h TRP 14 Cb 0.49 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 1mko h TRP 14 CO 0.01 0.05 -0.14 0.78 -1.03 0.00 0.00 178.44 178.12 1mko h GLY 15 N 0.16 1.02 1.59 2.65 0.00 -1.00 -1.45 103.07 106.03 1mko h GLY 15 Ca -0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.39 1mko h GLY 15 CO 0.01 0.75 -0.32 1.70 0.00 0.00 0.00 176.54 178.68 1mko h LYS 16 N 0.83 0.47 -0.26 4.80 1.63 -0.82 -2.56 116.57 120.67 1mko h LYS 16 Ca 0.13 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1mko h LYS 16 Cb 0.68 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1mko h LYS 16 CO 0.05 0.74 0.07 0.28 -3.45 0.00 0.00 179.45 177.14 1mko h VAL 17 N 0.40 0.90 0.00 2.00 2.07 -0.70 -3.46 116.25 117.47 1mko h VAL 17 Ca 0.05 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1mko h VAL 17 Cb 0.77 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1mko h VAL 17 CO 0.06 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1mko n GLY 18 N -1.19 3.38 0.13 2.17 0.00 -0.59 -1.94 105.19 107.14 1mko n GLY 18 Ca -0.01 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1mko n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mko n ALA 19 N 10.88 1.52 1.50 4.61 0.00 -1.26 -2.66 120.51 135.10 1mko n ALA 19 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.68 1mko n ALA 19 Cb 0.00 -1.36 0.56 0.00 0.00 0.00 0.00 19.45 18.65 1mko n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mko n HIS 20 N -2.18 0.00 -0.29 0.00 8.25 -0.82 -4.48 115.22 115.70 1mko n HIS 20 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1mko n HIS 20 Cb 0.18 -0.04 0.27 0.00 1.12 0.00 0.00 29.99 31.52 1mko n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mko h ALA 21 N 4.12 1.24 -0.81 -1.41 0.00 -1.64 -0.15 119.26 120.61 1mko h ALA 21 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1mko h ALA 21 Cb 0.43 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1mko h ALA 21 CO 0.00 -0.42 0.43 0.78 0.00 0.00 0.00 179.25 180.04 1mko h GLY 22 N 0.25 1.23 0.98 0.00 0.00 -1.83 0.78 103.07 104.47 1mko h GLY 22 Ca 0.53 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1mko h GLY 22 CO -0.61 0.55 0.21 0.83 0.00 0.00 0.00 176.54 177.52 1mko h GLU 23 N 1.14 0.78 -0.19 4.80 5.08 -1.36 -1.44 114.58 123.39 1mko h GLU 23 Ca 0.28 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1mko h GLU 23 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1mko h GLU 23 CO -0.04 0.69 -0.23 1.88 -1.00 0.00 0.00 179.01 180.31 1mko h TYR 24 N 0.71 0.36 -0.16 4.33 -1.99 -0.97 -1.14 116.97 118.11 1mko h TYR 24 Ca 0.18 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 1mko h TYR 24 Cb 0.19 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1mko h TYR 24 CO 0.01 0.54 0.07 0.78 -0.00 0.00 0.00 178.16 179.56 1mko h GLY 25 N 0.97 0.26 0.99 3.88 0.00 -0.41 0.12 103.07 108.88 1mko h GLY 25 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1mko h GLY 25 CO 0.04 0.13 0.21 0.00 0.00 0.00 0.00 176.54 176.92 1mko h ALA 26 N 0.92 0.75 -0.80 3.60 0.00 -1.03 -0.56 119.26 122.14 1mko h ALA 26 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1mko h ALA 26 Cb 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1mko h ALA 26 CO -0.01 0.39 0.52 1.49 0.00 0.00 0.00 179.25 181.64 1mko h GLU 27 N 0.80 1.02 -0.26 0.00 4.81 -0.99 -0.19 114.58 119.77 1mko h GLU 27 Ca 0.19 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 1mko h GLU 27 Cb 0.23 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1mko h GLU 27 CO -0.01 0.67 -0.35 0.00 -0.73 0.00 0.00 179.01 178.59 1mko h ALA 28 N 1.31 0.90 -0.26 2.92 0.00 -0.20 0.13 119.26 124.06 1mko h ALA 28 Ca 0.30 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1mko h ALA 28 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mko h ALA 28 CO -0.08 0.63 0.06 -0.07 0.00 0.00 0.00 179.25 179.78 1mko h LEU 29 N 0.49 0.40 -0.27 0.00 3.38 -0.64 -1.30 115.31 117.37 1mko h LEU 29 Ca 0.05 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1mko h LEU 29 Cb 0.83 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1mko h LEU 29 CO 0.07 0.53 -0.02 -0.08 0.09 0.00 0.00 178.44 179.04 1mko h GLU 30 N 0.26 0.06 -0.85 1.13 4.81 -0.84 0.33 114.58 119.48 1mko h GLU 30 Ca 0.08 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1mko h GLU 30 Cb 0.29 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1mko h GLU 30 CO 0.00 0.04 0.56 0.00 -0.73 0.00 0.00 179.01 178.88 1mko h ARG 31 N 0.06 1.01 -0.11 1.92 3.08 -0.83 -1.16 114.38 118.35 1mko h ARG 31 Ca 0.13 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1mko h ARG 31 Cb 0.18 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1mko h ARG 31 CO -0.24 0.67 -0.13 1.98 -1.07 0.00 0.00 179.97 181.18 1mko h MET 32 N 1.04 0.29 -0.97 0.04 4.05 -0.25 -0.39 114.93 118.74 1mko h MET 32 Ca 0.34 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1mko h MET 32 Cb 0.05 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1mko h MET 32 CO -0.10 0.71 0.64 0.74 0.23 0.00 0.00 176.91 179.13 1mko h PHE 33 N -0.12 1.20 0.03 1.39 0.04 -0.03 0.28 116.94 119.74 1mko h PHE 33 Ca 0.02 0.03 -0.24 0.00 2.80 0.00 0.00 57.97 60.58 1mko h PHE 33 Cb 0.67 -0.40 0.02 0.00 2.20 0.00 0.00 35.95 38.44 1mko h PHE 33 CO 0.09 0.71 -0.94 -0.07 -0.60 0.00 0.00 178.31 177.49 1mko h LEU 34 N 1.25 0.78 -0.41 1.54 3.38 -1.16 -2.93 115.31 117.75 1mko h LEU 34 Ca 0.38 -0.77 -0.18 0.00 0.09 0.00 0.00 57.88 57.40 1mko h LEU 34 Cb -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1mko h LEU 34 CO -0.11 1.45 -0.63 0.28 0.09 0.00 0.00 178.44 179.53 1mko h SER 35 N 0.19 0.68 -2.17 -0.43 0.02 -0.95 -3.37 113.55 107.51 1mko h SER 35 Ca -0.13 -0.39 -0.58 0.00 -0.84 0.00 0.00 61.79 59.85 1mko h SER 35 Cb 1.63 -0.20 -0.40 0.00 0.14 0.00 0.00 62.40 63.57 1mko h SER 35 CO 0.18 1.14 -0.85 0.49 -1.14 0.00 0.00 176.83 176.65 1mko n PHE 36 N -3.93 1.48 -0.53 3.45 3.72 0.08 -5.00 117.46 116.73 1mko n PHE 36 Ca -0.04 -3.84 0.44 0.00 -0.05 0.00 0.00 57.45 53.96 1mko n PHE 36 Cb 0.65 -0.41 0.67 0.00 -0.94 0.00 0.00 39.48 39.45 1mko n PHE 36 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1mko n PRO 37 N 1.30 0.00 -0.19 -1.08 -0.02 -1.11 -0.51 135.00 133.39 1mko n PRO 37 Ca 0.25 1.04 0.01 0.00 -2.02 0.00 0.00 63.50 62.78 1mko n PRO 37 Cb 0.47 -2.46 0.26 0.00 -0.02 0.00 0.00 33.50 31.74 1mko n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1mko h THR 38 N 0.00 1.19 -0.84 3.45 1.35 -1.91 -1.62 112.91 114.53 1mko h THR 38 Ca 0.77 -0.38 0.23 0.00 -0.55 0.00 0.00 66.41 66.48 1mko h THR 38 Cb 3.42 0.17 -0.04 0.00 -1.73 0.00 0.00 68.15 69.97 1mko h THR 38 CO -0.01 0.19 0.59 0.71 -0.25 0.00 0.00 175.52 176.75 1mko h THR 39 N 0.96 0.61 -0.02 6.82 1.35 -1.12 -1.78 112.91 119.74 1mko h THR 39 Ca 0.26 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1mko h THR 39 Cb -0.08 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1mko h THR 39 CO -0.05 0.02 0.02 0.11 -0.25 0.00 0.00 175.52 175.37 1mko h LYS 40 N 0.11 0.00 0.00 4.72 1.57 -1.49 -2.18 116.57 119.30 1mko h LYS 40 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1mko h LYS 40 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1mko h LYS 40 CO -0.05 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.62 1mko h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.50 0.88 112.91 113.48 1mko h THR 41 Ca 0.01 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1mko h THR 41 Cb 0.04 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1mko h THR 41 CO -0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 1mko n TYR 42 N -2.55 0.43 -2.77 4.73 4.01 -0.82 -3.82 117.16 116.36 1mko n TYR 42 Ca 0.00 0.14 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 1mko n TYR 42 Cb 0.19 -0.73 -0.02 0.00 -0.31 0.00 0.00 39.34 38.46 1mko n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1mko n PHE 43 N -1.87 3.29 0.18 -0.72 3.01 0.30 -4.93 117.46 116.73 1mko n PHE 43 Ca 0.05 -3.57 0.12 0.00 1.01 0.00 0.00 57.45 55.06 1mko n PHE 43 Cb 0.30 -0.32 0.67 0.00 -0.01 0.00 0.00 39.48 40.12 1mko n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1mko h PRO 44 N 2.83 0.00 -0.23 -1.08 0.13 -1.67 -1.84 132.00 130.15 1mko h PRO 44 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1mko h PRO 44 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1mko h PRO 44 CO 0.78 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.27 1mko n HIS 45 N -4.43 0.29 -3.39 1.56 8.25 -1.26 -4.94 115.22 111.29 1mko n HIS 45 Ca 0.01 -0.15 -0.31 0.00 -0.26 0.00 0.00 57.72 57.02 1mko n HIS 45 Cb 0.25 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 1mko n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1mko s PHE 46 N -1.71 3.45 -0.42 4.41 0.40 -0.69 -5.05 117.98 118.36 1mko s PHE 46 Ca 0.34 0.78 -0.16 0.00 -0.60 0.00 0.00 56.93 57.28 1mko s PHE 46 Cb 0.19 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 41.55 1mko s PHE 46 CO 0.28 0.24 0.39 0.34 0.70 0.00 0.00 175.22 177.17 1mko s ASP 47 N -2.64 6.17 -0.27 1.36 -1.08 -1.26 -4.93 116.67 114.01 1mko s ASP 47 Ca 0.46 -0.78 0.13 0.00 -0.52 0.00 0.00 52.55 51.84 1mko s ASP 47 Cb -0.11 -2.20 0.79 0.00 -1.46 0.00 0.00 42.92 39.94 1mko s ASP 47 CO 0.25 -0.55 1.76 0.18 0.52 0.00 0.00 175.17 177.33 1mko n LEU 48 N 5.45 5.82 -4.75 -1.34 4.77 -1.26 -4.38 117.00 121.31 1mko n LEU 48 Ca -0.09 -3.04 -0.31 0.00 -0.03 0.00 0.00 56.01 52.55 1mko n LEU 48 Cb 0.47 -0.70 0.11 0.00 -2.33 0.00 0.00 43.42 40.97 1mko n LEU 48 CO 0.45 0.69 0.69 -0.94 -1.33 0.00 0.00 177.39 176.95 1mko s SER 49 N -0.92 4.14 0.11 -1.43 1.04 -1.26 -4.89 113.70 110.49 1mko s SER 49 Ca 0.55 1.88 -0.35 0.00 0.48 0.00 0.00 55.95 58.50 1mko s SER 49 Cb 0.42 -2.51 -0.14 0.00 0.10 0.00 0.00 66.02 63.89 1mko s SER 49 CO 0.15 -2.28 1.55 1.57 0.98 0.00 0.00 173.24 175.21 1mko n HIS 50 N -3.68 2.09 -1.09 5.02 -0.00 -1.26 -1.46 115.22 114.83 1mko n HIS 50 Ca 0.09 0.34 -0.03 0.00 0.46 0.00 0.00 57.72 58.59 1mko n HIS 50 Cb 0.53 -2.50 -0.01 0.00 -0.12 0.00 0.00 29.99 27.89 1mko n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1mko n GLY 51 N 3.30 0.50 3.72 1.57 0.00 -1.26 -4.98 105.19 108.04 1mko n GLY 51 Ca 0.18 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1mko n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mko n SER 52 N -0.44 2.13 -0.20 1.61 3.41 -0.53 -4.91 113.62 114.68 1mko n SER 52 Ca -0.03 0.89 -0.08 0.00 -0.26 0.00 0.00 58.87 59.38 1mko n SER 52 Cb 0.33 -1.54 0.02 0.00 -0.26 0.00 0.00 64.21 62.76 1mko n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mko h ALA 53 N 0.88 0.74 -0.81 7.33 0.00 -1.90 -2.94 119.26 122.55 1mko h ALA 53 Ca -0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1mko h ALA 53 Cb 1.33 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1mko h ALA 53 CO 0.54 0.40 0.45 1.96 0.00 0.00 0.00 179.25 182.61 1mko h GLN 54 N 0.79 1.12 -0.15 0.00 4.20 -1.91 -1.23 115.11 117.93 1mko h GLN 54 Ca 0.18 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1mko h GLN 54 Cb 0.28 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1mko h GLN 54 CO -0.01 0.82 0.03 0.28 -0.67 0.00 0.00 178.83 179.27 1mko h VAL 55 N 1.13 1.22 -0.52 -0.54 2.07 -1.72 0.97 116.25 118.85 1mko h VAL 55 Ca 0.29 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1mko h VAL 55 Cb 0.01 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1mko h VAL 55 CO -0.05 0.21 0.28 0.11 0.02 0.00 0.00 177.57 178.14 1mko h LYS 56 N 0.03 0.52 -0.58 1.57 1.57 -1.38 0.71 116.57 119.00 1mko h LYS 56 Ca 0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1mko h LYS 56 Cb 0.30 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1mko h LYS 56 CO 0.00 0.35 0.27 0.78 -0.57 0.00 0.00 179.45 180.27 1mko h GLY 57 N 0.54 0.87 1.81 3.86 0.00 -1.10 -1.38 103.07 107.67 1mko h GLY 57 Ca 0.23 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 46.96 1mko h GLY 57 CO -0.15 0.39 -0.82 0.84 0.00 0.00 0.00 176.54 176.81 1mko h HIS 58 N 0.81 0.26 -0.65 5.60 -0.00 0.12 -2.83 115.15 118.46 1mko h HIS 58 Ca 0.20 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1mko h HIS 58 Cb 0.10 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 1mko h HIS 58 CO 0.01 0.92 0.42 0.78 -0.00 0.00 0.00 177.93 180.05 1mko h GLY 59 N 1.85 0.93 0.79 5.26 0.00 0.79 -1.81 103.07 110.87 1mko h GLY 59 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1mko h GLY 59 CO 0.12 0.30 0.07 1.70 0.00 0.00 0.00 176.54 178.73 1mko h LYS 60 N 0.84 0.17 -0.59 4.80 3.64 -1.15 0.59 116.57 124.87 1mko h LYS 60 Ca 0.25 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1mko h LYS 60 Cb -0.04 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 1mko h LYS 60 CO -0.08 0.11 0.28 0.87 -2.27 0.00 0.00 179.45 178.36 1mko h LYS 61 N 0.17 0.51 -0.17 1.90 1.57 -1.22 0.21 116.57 119.54 1mko h LYS 61 Ca 0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1mko h LYS 61 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1mko h LYS 61 CO -0.12 0.33 -0.01 0.28 -0.57 0.00 0.00 179.45 179.37 1mko h VAL 62 N 0.52 1.26 -0.23 0.50 2.07 -1.04 -2.18 116.25 117.16 1mko h VAL 62 Ca 0.27 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1mko h VAL 62 Cb 0.23 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1mko h VAL 62 CO -0.21 0.26 0.15 0.00 0.02 0.00 0.00 177.57 177.79 1mko h ALA 63 N 0.76 0.29 -1.00 1.67 0.00 -0.63 -1.05 119.26 119.30 1mko h ALA 63 Ca 0.05 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1mko h ALA 63 Cb 0.40 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1mko h ALA 63 CO 0.01 -0.23 0.65 -0.44 0.00 0.00 0.00 179.25 179.24 1mko h ASP 64 N 0.30 1.04 -0.42 0.00 3.32 -0.57 0.53 116.42 120.63 1mko h ASP 64 Ca 0.08 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1mko h ASP 64 Cb -0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1mko h ASP 64 CO -0.02 0.67 -0.05 0.00 -1.72 0.00 0.00 179.24 178.12 1mko h ALA 65 N 1.45 0.57 -0.71 3.45 0.00 -1.06 -1.77 119.26 121.19 1mko h ALA 65 Ca 0.43 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1mko h ALA 65 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1mko h ALA 65 CO -0.17 0.40 0.19 -0.07 0.00 0.00 0.00 179.25 179.60 1mko h LEU 66 N 0.60 1.05 -1.17 0.00 3.38 -0.60 -0.15 115.31 118.43 1mko h LEU 66 Ca 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1mko h LEU 66 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1mko h LEU 66 CO 0.03 1.00 0.12 0.74 0.09 0.00 0.00 178.44 180.42 1mko h THR 67 N 1.06 1.20 -0.38 0.22 2.02 -0.71 -1.15 112.91 115.16 1mko h THR 67 Ca 0.22 -0.72 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1mko h THR 67 Cb 0.35 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1mko h THR 67 CO -0.00 0.27 -0.28 -1.13 0.37 0.00 0.00 175.52 174.74 1mko h ASN 68 N 0.68 0.91 -0.86 4.18 -1.24 -0.67 -2.15 115.58 116.43 1mko h ASN 68 Ca 0.16 -0.44 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1mko h ASN 68 Cb 0.25 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 1mko h ASN 68 CO -0.00 1.16 0.54 0.00 -1.29 0.00 0.00 177.43 177.84 1mko h ALA 69 N 0.78 1.09 -0.24 1.57 0.00 -0.48 -1.76 119.26 120.23 1mko h ALA 69 Ca 0.07 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1mko h ALA 69 Cb 0.86 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1mko h ALA 69 CO 0.08 0.53 0.04 0.28 0.00 0.00 0.00 179.25 180.18 1mko h VAL 70 N 1.18 0.88 0.00 0.00 2.07 -1.04 0.18 116.25 119.52 1mko h VAL 70 Ca 0.31 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1mko h VAL 70 Cb -0.08 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1mko h VAL 70 CO -0.06 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.55 1mko n ALA 71 N -2.32 2.23 -2.78 1.67 0.00 -0.77 -2.78 120.51 115.76 1mko n ALA 71 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1mko n ALA 71 Cb 0.11 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.40 1mko n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mko n HIS 72 N -0.85 0.28 0.22 0.00 8.25 -0.35 -4.95 115.22 117.82 1mko n HIS 72 Ca 0.11 -2.05 0.18 0.00 -0.26 0.00 0.00 57.72 55.70 1mko n HIS 72 Cb 0.05 0.29 0.85 0.00 1.12 0.00 0.00 29.99 32.30 1mko n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1mko h VAL 73 N 5.00 0.38 -0.39 1.59 3.04 -0.53 -1.29 116.25 124.05 1mko h VAL 73 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1mko h VAL 73 Cb 1.28 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1mko h VAL 73 CO 0.09 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.12 1mko n ASP 74 N -3.65 3.11 -2.74 3.17 8.00 -1.26 -4.38 116.55 118.79 1mko n ASP 74 Ca 0.01 -1.94 -0.09 0.00 0.71 0.00 0.00 54.79 53.48 1mko n ASP 74 Cb 0.34 -0.25 0.08 0.00 -0.02 0.00 0.00 41.12 41.27 1mko n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mko n ASP 75 N 1.25 -1.23 -0.14 -2.24 2.03 -0.52 -4.97 116.55 110.73 1mko n ASP 75 Ca 0.19 -2.87 -0.11 0.00 0.52 0.00 0.00 54.79 52.52 1mko n ASP 75 Cb 0.54 0.85 -0.02 0.00 -0.72 0.00 0.00 41.12 41.78 1mko n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1mko h MET 76 N 2.51 0.82 -1.03 -0.67 2.86 -1.66 -1.90 114.93 115.84 1mko h MET 76 Ca -0.17 -0.33 0.30 0.00 -2.06 0.00 0.00 59.70 57.43 1mko h MET 76 Cb 1.20 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 1mko h MET 76 CO 0.13 0.96 0.80 -1.35 1.06 0.00 0.00 176.91 178.51 1mko h PRO 77 N 0.64 0.00 0.05 -0.22 0.11 -1.93 0.98 132.00 131.63 1mko h PRO 77 Ca 0.10 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.88 1mko h PRO 77 Cb 0.68 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1mko h PRO 77 CO 0.05 0.00 -1.84 0.09 -0.21 0.00 0.00 178.00 176.08 1mko n ASN 78 N -4.05 1.99 0.26 -2.05 3.02 -1.14 -2.88 115.26 110.42 1mko n ASN 78 Ca 0.22 0.27 0.14 0.00 -0.03 0.00 0.00 54.58 55.17 1mko n ASN 78 Cb 1.15 -0.85 0.71 0.00 -0.61 0.00 0.00 39.78 40.18 1mko n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mko h ALA 79 N -0.28 1.16 -0.05 5.41 0.00 -0.30 -3.05 119.26 122.16 1mko h ALA 79 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1mko h ALA 79 Cb 1.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1mko h ALA 79 CO -0.11 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1mko n LEU 80 N -3.46 1.90 -0.28 0.00 4.77 0.33 -4.79 117.00 115.46 1mko n LEU 80 Ca -0.01 -1.13 0.02 0.00 -0.03 0.00 0.00 56.01 54.86 1mko n LEU 80 Cb 0.27 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1mko n LEU 80 CO 0.29 0.39 0.48 -0.24 -1.33 0.00 0.00 177.39 176.99 1mko n SER 81 N 0.49 -0.37 0.25 -1.43 2.88 -1.14 0.15 113.62 114.45 1mko n SER 81 Ca 0.06 1.32 0.09 0.00 -1.33 0.00 0.00 58.87 59.02 1mko n SER 81 Cb 0.25 -0.36 0.64 0.00 -0.75 0.00 0.00 64.21 63.99 1mko n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mko h ALA 82 N 1.32 1.47 0.00 -1.46 0.00 -1.86 -2.49 119.26 116.23 1mko h ALA 82 Ca 0.32 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1mko h ALA 82 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1mko h ALA 82 CO -0.77 0.18 -0.39 -0.07 0.00 0.00 0.00 179.25 178.20 1mko h LEU 83 N 0.00 0.00 0.05 0.00 3.38 -0.65 -2.84 115.31 115.24 1mko h LEU 83 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1mko h LEU 83 Cb 0.32 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.09 1mko h LEU 83 CO 0.02 0.39 -1.13 0.77 0.09 0.00 0.00 178.44 178.57 1mko h SER 84 N 0.00 0.90 -0.59 -0.43 4.64 -1.27 0.02 113.55 116.81 1mko h SER 84 Ca -0.00 -0.76 -0.04 0.00 -0.47 0.00 0.00 61.79 60.51 1mko h SER 84 Cb 1.19 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 1mko h SER 84 CO 0.05 1.56 0.22 -0.78 -0.87 0.00 0.00 176.83 177.01 1mko h ASP 85 N 0.34 0.83 0.36 4.97 1.82 -1.61 0.19 116.42 123.32 1mko h ASP 85 Ca -0.15 -0.19 -0.02 0.00 -0.39 0.00 0.00 57.03 56.28 1mko h ASP 85 Cb 1.79 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.59 1mko h ASP 85 CO 0.22 0.79 -0.17 0.25 -1.61 0.00 0.00 179.24 178.72 1mko h LEU 86 N 0.82 -0.41 -0.12 2.28 7.12 -1.42 -0.99 115.31 122.61 1mko h LEU 86 Ca 0.19 -0.03 -0.20 0.00 0.13 0.00 0.00 57.88 57.98 1mko h LEU 86 Cb 0.24 0.11 0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1mko h LEU 86 CO -0.01 -0.23 -0.69 0.45 -0.13 0.00 0.00 178.44 177.82 1mko h HIS 87 N -0.56 0.92 0.00 1.25 3.86 -0.89 -1.60 115.15 118.14 1mko h HIS 87 Ca -0.05 -0.42 -0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1mko h HIS 87 Cb 0.42 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 1mko h HIS 87 CO -0.03 1.23 -0.01 0.00 0.86 0.00 0.00 177.93 179.98 1mko h ALA 88 N 0.50 0.00 0.01 2.45 0.00 -0.68 -1.44 119.26 120.09 1mko h ALA 88 Ca -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1mko h ALA 88 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1mko h ALA 88 CO 0.14 0.00 -0.07 1.25 0.00 0.00 0.00 179.25 180.57 1mko h HIS 89 N -1.00 0.05 0.00 0.00 -0.00 -1.33 -3.15 115.15 109.72 1mko h HIS 89 Ca -0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 1mko h HIS 89 Cb 0.67 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 1mko h HIS 89 CO 0.19 0.98 -0.23 -0.22 -0.00 0.00 0.00 177.93 178.65 1mko h LYS 90 N -0.89 0.00 0.00 5.26 3.64 -1.18 -3.39 116.57 120.01 1mko h LYS 90 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mko h LYS 90 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1mko h LYS 90 CO 0.01 0.72 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.50 1mko h LEU 91 N -1.00 0.00 -1.70 5.20 3.38 -1.38 -3.49 115.31 116.33 1mko h LEU 91 Ca -0.05 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.42 1mko h LEU 91 Cb 0.80 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1mko h LEU 91 CO -0.03 0.01 -0.85 0.54 0.09 0.00 0.00 178.44 178.19 1mko n ARG 92 N -2.79 -3.95 -2.04 1.13 3.00 -0.61 -4.89 116.66 106.51 1mko n ARG 92 Ca 0.03 0.48 -0.42 0.00 -0.01 0.00 0.00 57.85 57.93 1mko n ARG 92 Cb 0.52 -4.86 -0.03 0.00 0.00 0.00 0.00 32.46 28.09 1mko n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1mko s VAL 93 N -3.75 3.32 0.12 1.55 1.01 -0.83 -4.94 120.40 116.89 1mko s VAL 93 Ca 0.14 0.72 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 1mko s VAL 93 Cb -0.08 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1mko s VAL 93 CO 0.87 -0.01 1.72 -0.62 0.00 0.00 0.00 175.10 177.06 1mko s ASP 94 N 2.26 6.50 0.48 3.32 -1.08 -1.26 -4.85 116.67 122.04 1mko s ASP 94 Ca 0.70 2.66 0.36 0.00 -0.52 0.00 0.00 52.55 55.75 1mko s ASP 94 Cb -0.36 -2.57 1.52 0.00 -1.46 0.00 0.00 42.92 40.04 1mko s ASP 94 CO 0.30 -0.94 1.64 -0.65 0.52 0.00 0.00 175.17 176.04 1mko h PRO 95 N 8.02 0.06 -0.38 4.34 0.11 -1.99 0.10 132.00 142.26 1mko h PRO 95 Ca -0.44 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.77 1mko h PRO 95 Cb 1.21 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1mko h PRO 95 CO 0.94 0.04 0.27 -0.24 -0.21 0.00 0.00 178.00 178.80 1mko h VAL 96 N 0.06 0.83 -0.05 3.15 3.04 -2.03 -2.16 116.25 119.11 1mko h VAL 96 Ca 0.81 -0.02 -0.08 0.00 -1.01 0.00 0.00 66.70 66.41 1mko h VAL 96 Cb 2.83 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 32.87 1mko h VAL 96 CO -0.25 0.01 -0.32 0.78 -1.01 0.00 0.00 177.57 176.78 1mko h ASN 97 N 0.05 0.10 -0.69 3.17 2.35 -1.15 -2.92 115.58 116.50 1mko h ASN 97 Ca 0.18 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1mko h ASN 97 Cb 0.65 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1mko h ASN 97 CO -0.01 0.42 0.43 -0.26 -1.65 0.00 0.00 177.43 176.36 1mko h PHE 98 N 0.09 0.89 -0.12 1.19 -1.00 -1.57 -1.34 116.94 115.07 1mko h PHE 98 Ca 0.01 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 1mko h PHE 98 Cb 0.62 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1mko h PHE 98 CO 0.00 0.58 -0.38 0.87 -1.61 0.00 0.00 178.31 177.77 1mko h LYS 99 N 0.95 0.26 0.02 1.51 1.57 -1.64 0.24 116.57 119.47 1mko h LYS 99 Ca 0.25 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1mko h LYS 99 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1mko h LYS 99 CO -0.05 0.61 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.37 1mko h LEU 100 N 0.22 -0.02 -0.40 2.94 3.38 -1.32 0.11 115.31 120.23 1mko h LEU 100 Ca 0.02 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1mko h LEU 100 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1mko h LEU 100 CO 0.06 0.42 0.01 0.25 0.09 0.00 0.00 178.44 179.27 1mko h LEU 101 N -0.46 0.68 -0.11 1.67 5.85 -1.19 0.47 115.31 122.22 1mko h LEU 101 Ca -0.00 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1mko h LEU 101 Cb 0.44 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1mko h LEU 101 CO 0.00 0.82 -0.09 0.28 -0.34 0.00 0.00 178.44 179.10 1mko h SER 102 N 0.53 -0.30 -0.38 1.25 0.02 -0.55 0.18 113.55 114.30 1mko h SER 102 Ca 0.11 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1mko h SER 102 Cb 0.46 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1mko h SER 102 CO 0.02 -0.13 0.12 -0.74 -1.14 0.00 0.00 176.83 174.96 1mko h HIS 103 N -0.11 0.22 0.00 3.45 -0.00 -0.52 -0.91 115.15 117.29 1mko h HIS 103 Ca 0.08 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1mko h HIS 103 Cb 0.22 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1mko h HIS 103 CO -0.21 0.08 -0.05 0.00 -0.00 0.00 0.00 177.93 177.74 1mko h LEU 105 N 0.00 0.86 -0.53 0.00 3.38 0.30 -2.03 115.31 117.28 1mko h LEU 105 Ca -0.00 -0.72 -0.04 0.00 0.09 0.00 0.00 57.88 57.21 1mko h LEU 105 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1mko h LEU 105 CO 0.01 1.46 0.18 -0.07 0.09 0.00 0.00 178.44 180.11 1mko h LEU 106 N 0.34 0.77 -0.96 1.67 3.38 0.02 -0.16 115.31 120.37 1mko h LEU 106 Ca -0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1mko h LEU 106 Cb 1.58 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1mko h LEU 106 CO 0.18 0.76 0.43 0.58 0.09 0.00 0.00 178.44 180.48 1mko h VAL 107 N 0.73 1.25 -0.42 1.22 2.07 -1.04 0.16 116.25 120.21 1mko h VAL 107 Ca 0.17 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1mko h VAL 107 Cb 0.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1mko h VAL 107 CO -0.01 0.29 -0.22 0.74 0.02 0.00 0.00 177.57 178.39 1mko h THR 108 N 1.17 1.28 -0.16 2.57 2.02 -0.82 -1.90 112.91 117.06 1mko h THR 108 Ca 0.29 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1mko h THR 108 Cb 0.06 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1mko h THR 108 CO -0.04 0.46 0.07 -0.07 0.37 0.00 0.00 175.52 176.31 1mko h LEU 109 N 0.72 0.21 -0.28 2.58 4.07 -0.66 -2.53 115.31 119.43 1mko h LEU 109 Ca 0.09 -0.14 0.02 0.00 0.08 0.00 0.00 57.88 57.94 1mko h LEU 109 Cb 0.79 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 1mko h LEU 109 CO 0.06 0.29 0.12 0.00 -1.08 0.00 0.00 178.44 177.83 1mko h ALA 110 N 0.93 0.33 0.00 1.53 0.00 -0.54 0.19 119.26 121.70 1mko h ALA 110 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mko h ALA 110 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1mko h ALA 110 CO -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1mko n ALA 111 N -2.25 1.53 -0.00 0.00 0.00 -0.73 -3.49 120.51 115.57 1mko n ALA 111 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1mko n ALA 111 Cb 0.08 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 1mko n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mko n HIS 112 N -1.53 0.00 -3.11 0.00 -0.00 -0.39 -4.78 115.22 105.41 1mko n HIS 112 Ca 0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.43 1mko n HIS 112 Cb 0.14 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 1mko n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1mko n LEU 113 N -1.71 4.92 -0.21 2.41 4.77 0.55 -4.93 117.00 122.79 1mko n LEU 113 Ca -0.01 -5.47 -0.06 0.00 -0.03 0.00 0.00 56.01 50.43 1mko n LEU 113 Cb 0.17 -0.81 -0.01 0.00 -2.33 0.00 0.00 43.42 40.44 1mko n LEU 113 CO 0.12 2.08 0.61 1.55 -1.33 0.00 0.00 177.39 180.42 1mko h PRO 114 N 4.05 -0.18 -0.11 3.23 0.13 -1.84 -2.26 132.00 135.02 1mko h PRO 114 Ca 0.22 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.24 1mko h PRO 114 Cb 0.56 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1mko h PRO 114 CO 0.97 -0.12 -0.43 0.00 -0.23 0.00 0.00 178.00 178.19 1mko h ALA 115 N 0.87 0.20 0.00 -0.56 0.00 -1.94 -3.34 119.26 114.48 1mko h ALA 115 Ca 0.22 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1mko h ALA 115 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mko h ALA 115 CO -0.69 0.33 0.00 -0.85 0.00 0.00 0.00 179.25 178.04 1mko n GLU 116 N -4.29 0.18 -1.44 0.00 0.00 -1.12 -4.30 120.64 109.67 1mko n GLU 116 Ca -0.08 0.16 -0.40 0.00 0.00 0.00 0.00 57.16 56.85 1mko n GLU 116 Cb 0.56 -1.72 -0.02 0.00 0.00 0.00 0.00 31.44 30.26 1mko n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1mko n PHE 117 N -2.04 2.64 -1.98 -1.84 7.35 -0.87 -4.68 117.46 116.05 1mko n PHE 117 Ca 0.06 -3.06 -0.28 0.00 -0.76 0.00 0.00 57.45 53.41 1mko n PHE 117 Cb 0.40 -2.46 0.08 0.00 0.35 0.00 0.00 39.48 37.84 1mko n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mko s THR 118 N 2.14 2.33 0.15 -2.13 -4.23 -1.26 -4.79 115.64 107.85 1mko s THR 118 Ca 0.64 0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.98 1mko s THR 118 Cb 0.17 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.95 1mko s THR 118 CO -0.07 -0.11 1.70 -0.65 -0.54 0.00 0.00 174.62 174.95 1mko h PRO 119 N -0.87 0.04 -0.04 3.99 0.11 -1.98 0.57 132.00 133.83 1mko h PRO 119 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1mko h PRO 119 Cb 1.31 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1mko h PRO 119 CO 0.64 0.03 0.02 0.00 -0.21 0.00 0.00 178.00 178.48 1mko h ALA 120 N 1.28 0.04 -0.64 -0.75 0.00 -1.95 -1.42 119.26 115.82 1mko h ALA 120 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1mko h ALA 120 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1mko h ALA 120 CO -0.28 -0.46 0.39 0.28 0.00 0.00 0.00 179.25 179.18 1mko h VAL 121 N 0.04 1.06 -0.68 0.00 2.07 -1.76 -0.62 116.25 116.35 1mko h VAL 121 Ca 0.02 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1mko h VAL 121 Cb 0.00 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1mko h VAL 121 CO -0.01 0.14 0.35 -0.74 0.02 0.00 0.00 177.57 177.33 1mko h HIS 122 N 0.75 0.64 -0.54 1.57 6.17 -0.60 0.21 115.15 123.36 1mko h HIS 122 Ca 0.26 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.31 1mko h HIS 122 Cb 0.05 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 1mko h HIS 122 CO -0.06 0.27 0.12 0.00 0.71 0.00 0.00 177.93 178.97 1mko h ALA 123 N 1.39 0.72 -0.15 5.26 0.00 -0.46 -1.48 119.26 124.53 1mko h ALA 123 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mko h ALA 123 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mko h ALA 123 CO -0.23 0.43 0.06 0.77 0.00 0.00 0.00 179.25 180.29 1mko h SER 124 N 0.78 0.20 -0.85 0.00 0.02 -0.23 -1.97 113.55 111.50 1mko h SER 124 Ca 0.17 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1mko h SER 124 Cb 0.36 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1mko h SER 124 CO 0.00 0.30 0.50 -0.07 -1.14 0.00 0.00 176.83 176.43 1mko h LEU 125 N 0.09 1.03 -0.70 5.07 3.38 -0.56 -0.61 115.31 123.00 1mko h LEU 125 Ca 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mko h LEU 125 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1mko h LEU 125 CO -0.00 0.80 0.44 -0.78 0.09 0.00 0.00 178.44 178.99 1mko h ASP 126 N 1.17 0.83 0.09 -0.43 3.58 -1.10 -0.94 116.42 119.61 1mko h ASP 126 Ca 0.30 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.56 1mko h ASP 126 Cb -0.03 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1mko h ASP 126 CO -0.06 0.63 -0.53 0.50 -2.88 0.00 0.00 179.24 176.90 1mko h LYS 127 N 0.96 0.48 -0.36 0.28 3.64 -0.83 -1.39 116.57 119.35 1mko h LYS 127 Ca 0.25 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1mko h LYS 127 Cb -0.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1mko h LYS 127 CO -0.05 0.89 0.09 0.35 -2.27 0.00 0.00 179.45 178.46 1mko h PHE 128 N 0.37 0.60 -0.12 1.91 3.57 -0.82 0.26 116.94 122.71 1mko h PHE 128 Ca 0.01 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 1mko h PHE 128 Cb 1.05 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1mko h PHE 128 CO 0.04 0.60 -0.50 -0.07 -2.23 0.00 0.00 178.31 176.14 1mko h LEU 129 N 0.43 0.35 -0.39 0.59 3.38 -1.07 0.23 115.31 118.83 1mko h LEU 129 Ca 0.11 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1mko h LEU 129 Cb 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1mko h LEU 129 CO 0.00 0.80 -0.35 0.00 0.09 0.00 0.00 178.44 178.98 1mko h ALA 130 N 1.21 0.57 -0.51 1.53 0.00 -1.14 0.24 119.26 121.17 1mko h ALA 130 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1mko h ALA 130 Cb 0.98 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1mko h ALA 130 CO 0.08 0.65 0.25 0.77 0.00 0.00 0.00 179.25 181.01 1mko h SER 131 N 0.75 0.66 -0.24 0.00 0.02 0.16 0.51 113.55 115.42 1mko h SER 131 Ca 0.07 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1mko h SER 131 Cb 0.94 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1mko h SER 131 CO 0.09 0.60 0.12 0.58 -1.14 0.00 0.00 176.83 177.08 1mko h VAL 132 N 0.68 1.14 -0.58 2.27 2.07 -0.41 -2.37 116.25 119.05 1mko h VAL 132 Ca 0.18 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1mko h VAL 132 Cb 0.11 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1mko h VAL 132 CO -0.02 0.13 0.34 0.28 0.02 0.00 0.00 177.57 178.32 1mko h SER 133 N 0.26 0.53 -0.85 0.57 0.02 -0.12 -2.11 113.55 111.85 1mko h SER 133 Ca 0.08 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 1mko h SER 133 Cb 0.11 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.47 1mko h SER 133 CO -0.01 0.36 0.46 0.74 -1.14 0.00 0.00 176.83 177.24 1mko h THR 134 N 0.65 0.80 -0.30 -2.27 2.02 0.41 -1.90 112.91 112.33 1mko h THR 134 Ca 0.24 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1mko h THR 134 Cb 0.08 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1mko h THR 134 CO -0.13 0.13 -0.27 0.58 0.37 0.00 0.00 175.52 176.20 1mko h VAL 135 N 0.71 1.27 0.00 3.16 2.07 -0.90 -3.12 116.25 119.44 1mko h VAL 135 Ca 0.44 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1mko h VAL 135 Cb 0.54 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1mko h VAL 135 CO -0.31 0.43 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 1mko h LEU 136 N 0.51 0.00 -2.95 2.57 3.38 -0.77 -2.99 115.31 115.06 1mko h LEU 136 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1mko h LEU 136 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1mko h LEU 136 CO 0.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.94 1mko n THR 137 N -2.70 1.31 -2.94 0.22 -2.24 -0.93 -3.59 114.28 103.41 1mko n THR 137 Ca 0.03 -1.15 -0.23 0.00 -2.27 0.00 0.00 64.05 60.44 1mko n THR 137 Cb 0.39 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1mko n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mko s SER 138 N -1.10 5.77 -0.50 3.42 1.04 -1.13 -4.97 113.70 116.23 1mko s SER 138 Ca 0.36 0.26 0.07 0.00 0.48 0.00 0.00 55.95 57.11 1mko s SER 138 Cb 0.22 -1.46 0.19 0.00 0.10 0.00 0.00 66.02 65.06 1mko s SER 138 CO 0.20 -0.75 0.68 -0.54 0.98 0.00 0.00 173.24 173.81 1mko s LYS 139 N -4.58 1.05 -0.37 4.02 1.02 -1.26 -4.73 119.74 114.89 1mko s LYS 139 Ca 0.49 -1.19 -0.08 0.00 0.02 0.00 0.00 55.97 55.21 1mko s LYS 139 Cb -0.10 -0.23 0.05 0.00 -0.52 0.00 0.00 37.83 37.03 1mko s LYS 139 CO 0.38 -1.34 0.17 1.52 -0.92 0.00 0.00 175.35 175.16 1mko s TYR 140 N 0.78 3.28 -2.00 3.18 1.13 -1.26 -5.16 117.35 117.30 1mko s TYR 140 Ca 0.30 -1.33 0.09 0.00 -1.41 0.00 0.00 57.07 54.72 1mko s TYR 140 Cb 0.00 -2.49 0.55 0.00 -1.10 0.00 0.00 41.96 38.92 1mko s TYR 140 CO -0.07 -0.74 0.99 2.89 -2.51 0.00 0.00 175.55 176.12