#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyu s LEU 2 N 0.00 4.44 0.82 7.52 1.43 -1.26 -5.09 118.68 126.54 3hyu s LEU 2 Ca 0.00 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 3hyu s LEU 2 Cb 0.00 -3.03 0.08 0.00 0.03 0.00 0.00 46.19 43.28 3hyu s LEU 2 CO 0.00 0.09 1.11 -0.94 0.23 0.00 0.00 176.35 176.84 3hyu s SER 3 N -0.23 4.30 0.36 2.29 1.04 -1.26 -4.88 113.70 115.32 3hyu s SER 3 Ca 0.33 1.21 0.05 0.00 0.48 0.00 0.00 55.95 58.02 3hyu s SER 3 Cb -0.19 -1.90 0.68 0.00 0.10 0.00 0.00 66.02 64.71 3hyu s SER 3 CO 0.19 -2.08 1.93 0.00 0.98 0.00 0.00 173.24 174.27 3hyu h ALA 4 N -1.17 1.47 -0.75 5.32 0.00 -1.99 -0.81 119.26 121.34 3hyu h ALA 4 Ca -0.48 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 3hyu h ALA 4 Cb 1.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3hyu h ALA 4 CO 0.60 0.39 0.24 0.00 0.00 0.00 0.00 179.25 180.48 3hyu h ALA 5 N 1.58 1.00 -0.40 0.00 0.00 -1.99 0.01 119.26 119.47 3hyu h ALA 5 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hyu h ALA 5 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hyu h ALA 5 CO -0.00 0.67 0.26 -0.44 0.00 0.00 0.00 179.25 179.74 3hyu h ASP 6 N 1.12 0.46 -0.76 0.00 3.32 -1.73 0.06 116.42 118.89 3hyu h ASP 6 Ca 0.24 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3hyu h ASP 6 Cb 0.30 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3hyu h ASP 6 CO -0.01 0.34 0.44 0.11 -1.72 0.00 0.00 179.24 178.40 3hyu h LYS 7 N 0.54 1.04 -0.70 3.56 1.57 -0.72 -0.58 116.57 121.27 3hyu h LYS 7 Ca 0.15 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3hyu h LYS 7 Cb -0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 3hyu h LYS 7 CO -0.03 0.75 0.21 -0.91 -0.57 0.00 0.00 179.45 178.90 3hyu h ASN 8 N 1.04 1.03 -0.79 0.86 2.35 -0.68 -0.63 115.58 118.77 3hyu h ASN 8 Ca 0.27 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3hyu h ASN 8 Cb -0.01 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 3hyu h ASN 8 CO -0.05 0.97 0.49 0.78 -1.65 0.00 0.00 177.43 177.98 3hyu h ASN 9 N 1.04 0.93 0.01 5.81 -0.26 -0.44 -0.95 115.58 121.70 3hyu h ASN 9 Ca 0.22 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3hyu h ASN 9 Cb 0.32 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3hyu h ASN 9 CO -0.00 0.70 -0.00 0.58 -1.06 0.00 0.00 177.43 177.64 3hyu h VAL 10 N 1.07 1.24 -0.34 2.81 2.07 -0.86 -1.81 116.25 120.43 3hyu h VAL 10 Ca 0.28 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3hyu h VAL 10 Cb -0.07 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3hyu h VAL 10 CO -0.06 0.19 0.22 0.11 0.02 0.00 0.00 177.57 178.05 3hyu h LYS 11 N -0.33 0.43 -0.48 1.57 1.57 -1.01 -0.22 116.57 118.10 3hyu h LYS 11 Ca -0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3hyu h LYS 11 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3hyu h LYS 11 CO 0.00 0.28 0.13 1.15 -0.57 0.00 0.00 179.45 180.44 3hyu h THR 12 N 0.44 1.23 -0.28 -0.16 2.02 -1.19 -1.30 112.91 113.67 3hyu h THR 12 Ca 0.13 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 3hyu h THR 12 Cb -0.03 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3hyu h THR 12 CO -0.04 0.29 -0.22 0.74 0.37 0.00 0.00 175.52 176.67 3hyu h THR 13 N 0.65 1.30 -0.69 3.16 2.02 -1.22 -1.66 112.91 116.47 3hyu h THR 13 Ca 0.15 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 3hyu h THR 13 Cb 0.31 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3hyu h THR 13 CO -0.00 0.43 0.40 -0.25 0.37 0.00 0.00 175.52 176.47 3hyu h TRP 14 N 0.37 0.91 -0.34 3.16 2.91 -0.97 -0.95 115.95 121.04 3hyu h TRP 14 Ca 0.05 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.92 3hyu h TRP 14 Cb 0.76 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 3hyu h TRP 14 CO 0.07 0.61 -0.37 0.22 -1.03 0.00 0.00 178.44 177.94 3hyu h ASP 15 N 0.95 0.84 -0.67 2.65 3.58 -1.01 -0.63 116.42 122.13 3hyu h ASP 15 Ca 0.25 -0.37 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 3hyu h ASP 15 Cb -0.02 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 3hyu h ASP 15 CO -0.04 1.12 0.21 0.11 -2.88 0.00 0.00 179.24 177.76 3hyu h LYS 16 N 0.65 1.04 -0.62 0.28 1.57 -0.81 -2.65 116.57 116.03 3hyu h LYS 16 Ca 0.06 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3hyu h LYS 16 Cb 0.93 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3hyu h LYS 16 CO 0.09 0.90 0.30 0.82 -0.57 0.00 0.00 179.45 180.98 3hyu h ILE 17 N 0.97 1.22 0.00 1.86 2.04 -0.94 -3.46 117.51 119.20 3hyu h ILE 17 Ca 0.22 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hyu h ILE 17 Cb 0.29 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3hyu h ILE 17 CO -0.01 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3hyu n GLY 18 N -0.95 3.31 0.00 5.37 0.00 -0.27 -1.76 105.19 110.90 3hyu n GLY 18 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3hyu n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hyu n GLY 19 N 0.00 -0.84 0.00 -0.02 0.00 -1.26 -2.23 105.19 100.84 3hyu n GLY 19 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3hyu n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hyu n HIS 20 N -1.24 0.00 -0.16 1.61 -0.00 -0.72 -4.27 115.22 110.44 3hyu n HIS 20 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.78 3hyu n HIS 20 Cb 0.13 -0.33 0.06 0.00 -0.00 0.00 0.00 29.99 29.85 3hyu n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hyu h ALA 21 N 3.33 0.60 -0.52 -1.41 0.00 -1.60 -0.30 119.26 119.35 3hyu h ALA 21 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hyu h ALA 21 Cb 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hyu h ALA 21 CO 0.00 -0.20 0.27 0.00 0.00 0.00 0.00 179.25 179.32 3hyu h ALA 22 N 1.31 0.66 -0.65 0.00 0.00 -1.84 0.42 119.26 119.17 3hyu h ALA 22 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hyu h ALA 22 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hyu h ALA 22 CO -0.22 0.20 0.37 1.49 0.00 0.00 0.00 179.25 181.08 3hyu h GLU 23 N 0.69 0.90 -0.46 0.00 4.81 -1.74 -1.32 114.58 117.45 3hyu h GLU 23 Ca 0.18 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 3hyu h GLU 23 Cb 0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hyu h GLU 23 CO -0.03 0.67 -0.23 1.88 -0.73 0.00 0.00 179.01 180.57 3hyu h TYR 24 N 0.88 1.09 -0.54 0.92 0.05 -0.62 -2.12 116.97 116.63 3hyu h TYR 24 Ca 0.23 -0.27 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 3hyu h TYR 24 Cb 0.02 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 3hyu h TYR 24 CO -0.01 1.08 -0.01 0.28 -1.05 0.00 0.00 178.16 178.45 3hyu h VAL 25 N 0.82 1.26 -0.69 -2.88 2.07 -0.75 -0.66 116.25 115.42 3hyu h VAL 25 Ca 0.10 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3hyu h VAL 25 Cb 0.80 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3hyu h VAL 25 CO 0.07 0.40 0.43 0.00 0.02 0.00 0.00 177.57 178.48 3hyu h ALA 26 N 1.11 0.90 -0.58 1.67 0.00 -1.08 -0.21 119.26 121.07 3hyu h ALA 26 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hyu h ALA 26 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3hyu h ALA 26 CO 0.03 0.19 0.32 1.49 0.00 0.00 0.00 179.25 181.28 3hyu h GLU 27 N 0.83 0.80 -0.78 0.00 4.81 -1.07 -1.48 114.58 117.68 3hyu h GLU 27 Ca 0.28 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 3hyu h GLU 27 Cb 0.04 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 3hyu h GLU 27 CO -0.11 0.61 0.47 0.78 -0.73 0.00 0.00 179.01 180.02 3hyu h GLY 28 N 0.78 1.16 0.95 1.92 0.00 -0.45 0.11 103.07 107.54 3hyu h GLY 28 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3hyu h GLY 28 CO -0.03 0.24 0.18 1.41 0.00 0.00 0.00 176.54 178.33 3hyu h LEU 29 N 0.87 0.51 -0.79 3.11 3.38 -0.77 -0.51 115.31 121.11 3hyu h LEU 29 Ca 0.34 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3hyu h LEU 29 Cb 0.15 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3hyu h LEU 29 CO -0.16 0.50 0.35 0.74 0.09 0.00 0.00 178.44 179.95 3hyu h THR 30 N 0.48 1.26 -0.89 0.22 2.02 -0.84 0.44 112.91 115.59 3hyu h THR 30 Ca 0.13 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3hyu h THR 30 Cb 0.13 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3hyu h THR 30 CO -0.02 0.32 0.56 0.03 0.37 0.00 0.00 175.52 176.78 3hyu h ARG 31 N 1.13 1.19 -0.01 6.66 3.08 -0.54 -1.48 114.38 124.42 3hyu h ARG 31 Ca 0.27 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3hyu h ARG 31 Cb 0.17 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3hyu h ARG 31 CO -0.03 0.81 0.00 1.98 -1.07 0.00 0.00 179.97 181.67 3hyu h MET 32 N 1.22 0.01 -0.16 0.04 4.05 -0.45 0.76 114.93 120.39 3hyu h MET 32 Ca 0.32 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.73 3hyu h MET 32 Cb -0.09 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 3hyu h MET 32 CO -0.06 0.16 0.07 0.74 0.23 0.00 0.00 176.91 178.05 3hyu h PHE 33 N -0.14 0.21 0.03 1.39 0.04 -0.75 0.81 116.94 118.52 3hyu h PHE 33 Ca 0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 3hyu h PHE 33 Cb 0.15 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3hyu h PHE 33 CO -0.02 0.16 -0.55 1.15 -0.60 0.00 0.00 178.31 178.45 3hyu h THR 34 N 0.22 1.47 0.00 -1.55 2.02 -1.05 -3.23 112.91 110.78 3hyu h THR 34 Ca 0.06 -2.33 -0.16 0.00 0.77 0.00 0.00 66.41 64.75 3hyu h THR 34 Cb 0.03 3.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 3hyu h THR 34 CO -0.01 0.55 -0.74 0.28 0.37 0.00 0.00 175.52 175.98 3hyu h SER 35 N -0.87 0.00 -2.10 4.18 0.02 -0.81 -3.38 113.55 110.59 3hyu h SER 35 Ca -0.13 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.24 3hyu h SER 35 Cb 1.22 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.36 3hyu h SER 35 CO -0.03 0.74 -0.91 0.49 -1.14 0.00 0.00 176.83 175.97 3hyu n PHE 36 N -3.55 1.09 0.29 3.45 3.72 0.27 -4.99 117.46 117.75 3hyu n PHE 36 Ca -0.00 -3.78 0.18 0.00 -0.05 0.00 0.00 57.45 53.80 3hyu n PHE 36 Cb 0.75 -0.41 0.99 0.00 -0.94 0.00 0.00 39.48 39.87 3hyu n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hyu h PRO 37 N 4.14 0.00 0.00 -1.08 0.13 -1.72 -0.84 132.00 132.63 3hyu h PRO 37 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hyu h PRO 37 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3hyu h PRO 37 CO 0.59 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.15 3hyu h THR 38 N 0.00 0.00 0.00 1.56 1.35 -1.91 -1.79 112.91 112.12 3hyu h THR 38 Ca 0.02 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3hyu h THR 38 Cb 0.19 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3hyu h THR 38 CO -0.00 0.00 -0.01 0.71 -0.25 0.00 0.00 175.52 175.97 3hyu h THR 39 N 0.00 0.03 0.00 6.82 1.35 -1.47 -3.06 112.91 116.58 3hyu h THR 39 Ca 0.00 -0.63 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 3hyu h THR 39 Cb 0.08 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3hyu h THR 39 CO 0.00 0.01 -0.05 0.11 -0.25 0.00 0.00 175.52 175.34 3hyu h LYS 40 N 0.00 0.00 -0.77 4.72 1.57 -1.53 -2.89 116.57 117.67 3hyu h LYS 40 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 3hyu h LYS 40 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 3hyu h LYS 40 CO 0.00 0.05 0.52 0.00 -0.57 0.00 0.00 179.45 179.45 3hyu h THR 41 N 0.00 0.78 0.00 -0.16 1.03 -1.74 0.32 112.91 113.14 3hyu h THR 41 Ca -0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 3hyu h THR 41 Cb 0.19 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.61 3hyu h THR 41 CO 0.01 0.07 0.00 -1.22 -0.01 0.00 0.00 175.52 174.37 3hyu n TYR 42 N -4.48 0.82 -1.72 0.00 4.01 -1.09 -3.65 117.16 111.05 3hyu n TYR 42 Ca 0.15 0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 58.15 3hyu n TYR 42 Cb 0.56 -0.95 0.16 0.00 -0.31 0.00 0.00 39.34 38.79 3hyu n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3hyu n PHE 43 N -2.20 0.73 0.31 -0.72 3.01 0.10 -4.75 117.46 113.94 3hyu n PHE 43 Ca 0.04 -1.69 0.18 0.00 1.01 0.00 0.00 57.45 56.99 3hyu n PHE 43 Cb 0.33 -0.27 1.02 0.00 -0.01 0.00 0.00 39.48 40.54 3hyu n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hyu h HIS 44 N 1.32 0.00 0.00 1.38 3.86 -1.61 -2.85 115.15 117.24 3hyu h HIS 44 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3hyu h HIS 44 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 3hyu h HIS 44 CO 0.78 0.01 -0.12 -2.39 0.86 0.00 0.00 177.93 177.07 3hyu n HIS 45 N -3.51 0.28 -4.50 2.45 1.44 -1.26 -4.90 115.22 105.23 3hyu n HIS 45 Ca -0.03 0.08 -0.24 0.00 -2.01 0.00 0.00 57.72 55.52 3hyu n HIS 45 Cb 0.10 -0.59 -0.10 0.00 0.12 0.00 0.00 29.99 29.51 3hyu n HIS 45 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 3hyu s ILE 46 N -3.04 1.98 -0.38 0.61 -4.36 -1.08 -5.10 121.20 109.83 3hyu s ILE 46 Ca 0.12 -2.16 -0.29 0.00 -0.26 0.00 0.00 60.65 58.06 3hyu s ILE 46 Cb 0.17 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 41.31 3hyu s ILE 46 CO 0.59 -0.23 1.25 -0.62 0.24 0.00 0.00 174.94 176.17 3hyu s ASP 47 N -3.54 6.62 -0.27 4.36 2.15 -1.26 -4.91 116.67 119.82 3hyu s ASP 47 Ca 0.31 0.89 0.12 0.00 0.43 0.00 0.00 52.55 54.31 3hyu s ASP 47 Cb 0.03 -2.54 0.71 0.00 -0.30 0.00 0.00 42.92 40.82 3hyu s ASP 47 CO 0.15 -1.18 1.69 1.33 -0.17 0.00 0.00 175.17 176.98 3hyu n VAL 48 N 6.55 2.73 -1.94 1.11 0.24 -1.26 -4.14 118.33 121.61 3hyu n VAL 48 Ca 0.14 -1.71 -0.38 0.00 -2.04 0.00 0.00 64.34 60.35 3hyu n VAL 48 Cb 0.48 -0.31 0.02 0.00 -1.47 0.00 0.00 33.84 32.56 3hyu n VAL 48 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hyu s SER 49 N -1.28 5.65 0.21 -1.34 0.01 -1.26 -4.91 113.70 110.79 3hyu s SER 49 Ca 0.52 2.63 -0.32 0.00 1.31 0.00 0.00 55.95 60.09 3hyu s SER 49 Cb 0.41 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.88 3hyu s SER 49 CO 0.12 -1.30 1.51 -2.65 0.41 0.00 0.00 173.24 171.33 3hyu n PRO 50 N -0.72 2.19 -0.88 12.44 -0.02 -1.26 -1.71 135.00 145.03 3hyu n PRO 50 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3hyu n PRO 50 Cb 0.46 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3hyu n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hyu n GLY 51 N 2.73 0.74 3.75 -1.23 0.00 -1.26 -5.03 105.19 104.90 3hyu n GLY 51 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3hyu n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hyu s SER 52 N -2.49 5.17 0.36 1.61 1.04 -0.69 -4.89 113.70 113.81 3hyu s SER 52 Ca 0.00 2.33 0.04 0.00 0.48 0.00 0.00 55.95 58.79 3hyu s SER 52 Cb 0.00 -2.59 0.69 0.00 0.10 0.00 0.00 66.02 64.22 3hyu s SER 52 CO 0.00 -1.60 2.01 1.23 0.98 0.00 0.00 173.24 175.85 3hyu h GLY 53 N 0.76 0.77 1.03 7.32 0.00 -1.91 -1.98 103.07 109.06 3hyu h GLY 53 Ca -0.50 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 3hyu h GLY 53 CO 0.55 0.30 0.24 -0.55 0.00 0.00 0.00 176.54 177.08 3hyu h ASP 54 N 0.74 0.96 -0.31 0.19 3.32 -1.92 -0.47 116.42 118.93 3hyu h ASP 54 Ca 0.20 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3hyu h ASP 54 Cb -0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3hyu h ASP 54 CO -0.04 0.89 -0.33 0.40 -1.72 0.00 0.00 179.24 178.44 3hyu h ILE 55 N 0.98 1.28 -0.28 0.35 2.04 -1.64 -1.00 117.51 119.23 3hyu h ILE 55 Ca 0.22 -1.49 0.01 0.00 1.00 0.00 0.00 64.86 64.60 3hyu h ILE 55 Cb 0.25 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3hyu h ILE 55 CO -0.01 0.50 0.16 0.11 0.00 0.00 0.00 178.15 178.90 3hyu h LYS 56 N 0.70 0.31 -0.54 2.37 1.57 -1.13 0.19 116.57 120.04 3hyu h LYS 56 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hyu h LYS 56 Cb 0.89 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 3hyu h LYS 56 CO 0.08 0.21 0.29 0.00 -0.57 0.00 0.00 179.45 179.46 3hyu h ALA 57 N 1.13 0.70 -0.40 3.86 0.00 -0.95 -1.71 119.26 121.89 3hyu h ALA 57 Ca 0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3hyu h ALA 57 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hyu h ALA 57 CO -0.06 0.23 -0.19 1.25 0.00 0.00 0.00 179.25 180.47 3hyu h HIS 58 N 0.73 0.88 -0.97 0.00 -0.00 -0.93 -2.54 115.15 112.32 3hyu h HIS 58 Ca 0.19 -0.19 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 3hyu h HIS 58 Cb 0.07 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.21 3hyu h HIS 58 CO -0.01 0.91 0.64 0.78 -0.00 0.00 0.00 177.93 180.24 3hyu h GLY 59 N 0.97 1.39 0.96 5.26 0.00 -0.41 -1.02 103.07 110.22 3hyu h GLY 59 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3hyu h GLY 59 CO 0.05 0.44 0.19 1.70 0.00 0.00 0.00 176.54 178.92 3hyu h LYS 60 N 1.25 0.48 -0.38 4.80 3.64 -1.06 0.10 116.57 125.40 3hyu h LYS 60 Ca 0.38 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 3hyu h LYS 60 Cb -0.04 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 3hyu h LYS 60 CO -0.11 0.39 0.12 0.87 -2.27 0.00 0.00 179.45 178.46 3hyu h LYS 61 N 0.43 0.26 -0.34 1.90 1.57 -0.97 -0.69 116.57 118.73 3hyu h LYS 61 Ca 0.12 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3hyu h LYS 61 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hyu h LYS 61 CO -0.02 0.17 -0.00 0.28 -0.57 0.00 0.00 179.45 179.31 3hyu h VAL 62 N 0.27 1.26 -0.81 0.50 2.07 -1.12 -1.99 116.25 116.43 3hyu h VAL 62 Ca 0.18 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3hyu h VAL 62 Cb 0.17 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3hyu h VAL 62 CO -0.19 0.32 0.51 0.00 0.02 0.00 0.00 177.57 178.23 3hyu h ALA 63 N 0.85 1.08 -0.20 1.67 0.00 -0.77 -0.07 119.26 121.82 3hyu h ALA 63 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3hyu h ALA 63 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hyu h ALA 63 CO 0.02 0.29 -0.31 -0.44 0.00 0.00 0.00 179.25 178.81 3hyu h ASP 64 N 0.97 0.41 -0.44 0.00 3.32 -0.90 -0.08 116.42 119.70 3hyu h ASP 64 Ca 0.33 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 3hyu h ASP 64 Cb 0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3hyu h ASP 64 CO -0.13 0.70 -0.23 0.00 -1.72 0.00 0.00 179.24 177.86 3hyu h ALA 65 N 1.33 0.61 -0.39 3.45 0.00 -0.94 -1.63 119.26 121.68 3hyu h ALA 65 Ca 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3hyu h ALA 65 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hyu h ALA 65 CO 0.06 0.61 0.14 -0.07 0.00 0.00 0.00 179.25 179.98 3hyu h LEU 66 N 0.76 0.50 -0.57 0.00 3.38 -0.55 -1.29 115.31 117.54 3hyu h LEU 66 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hyu h LEU 66 Cb 0.80 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3hyu h LEU 66 CO 0.07 0.48 0.27 0.74 0.09 0.00 0.00 178.44 180.09 3hyu h THR 67 N 0.55 1.21 -0.74 0.22 2.02 -0.64 -0.28 112.91 115.25 3hyu h THR 67 Ca 0.13 -0.59 0.07 0.00 0.77 0.00 0.00 66.41 66.80 3hyu h THR 67 Cb 0.15 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 3hyu h THR 67 CO -0.01 0.23 0.41 0.74 0.37 0.00 0.00 175.52 177.27 3hyu h THR 68 N 0.77 0.94 -0.41 3.16 2.02 -0.78 -1.36 112.91 117.24 3hyu h THR 68 Ca 0.19 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 3hyu h THR 68 Cb 0.12 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3hyu h THR 68 CO -0.02 0.13 -0.01 0.00 0.37 0.00 0.00 175.52 175.99 3hyu h ALA 69 N 1.39 0.56 -0.24 6.16 0.00 -0.60 -2.51 119.26 124.02 3hyu h ALA 69 Ca 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hyu h ALA 69 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hyu h ALA 69 CO -0.21 0.36 0.13 0.28 0.00 0.00 0.00 179.25 179.80 3hyu h VAL 70 N 0.57 1.08 -0.00 0.00 2.07 -0.62 -1.28 116.25 118.07 3hyu h VAL 70 Ca 0.12 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3hyu h VAL 70 Cb 0.50 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3hyu h VAL 70 CO 0.02 0.09 -0.00 0.61 0.02 0.00 0.00 177.57 178.31 3hyu n GLY 71 N -1.42 -1.03 2.79 2.17 0.00 -0.55 -4.11 105.19 103.04 3hyu n GLY 71 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 3hyu n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hyu n HIS 72 N -1.02 1.24 0.31 1.61 8.25 -0.50 -4.94 115.22 120.17 3hyu n HIS 72 Ca 0.21 -2.32 0.20 0.00 -0.26 0.00 0.00 57.72 55.55 3hyu n HIS 72 Cb 0.15 -0.27 1.02 0.00 1.12 0.00 0.00 29.99 32.01 3hyu n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hyu h LEU 73 N 2.72 0.00 0.00 2.41 3.38 -1.67 -1.76 115.31 120.38 3hyu h LEU 73 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hyu h LEU 73 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hyu h LEU 73 CO 0.27 0.01 -0.39 0.47 0.09 0.00 0.00 178.44 178.89 3hyu n ASP 74 N -3.16 0.73 -2.91 -0.43 8.00 -1.26 -4.52 116.55 113.00 3hyu n ASP 74 Ca -0.02 0.28 -0.14 0.00 0.71 0.00 0.00 54.79 55.63 3hyu n ASP 74 Cb 0.15 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 3hyu n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hyu n ASP 75 N -2.14 -1.81 -0.10 -2.24 2.03 -0.68 -4.99 116.55 106.61 3hyu n ASP 75 Ca 0.04 -3.09 -0.02 0.00 0.52 0.00 0.00 54.79 52.24 3hyu n ASP 75 Cb 0.43 0.96 0.21 0.00 -0.72 0.00 0.00 41.12 42.00 3hyu n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hyu h LEU 76 N 3.99 0.71 -0.88 -2.67 3.38 -1.75 -2.89 115.31 115.21 3hyu h LEU 76 Ca -0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3hyu h LEU 76 Cb 0.98 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3hyu h LEU 76 CO 0.38 0.72 0.52 -0.65 0.09 0.00 0.00 178.44 179.50 3hyu h PRO 77 N 0.73 1.21 -0.19 1.13 0.11 -1.94 -0.55 132.00 132.50 3hyu h PRO 77 Ca 0.16 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 3hyu h PRO 77 Cb 0.31 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3hyu h PRO 77 CO 0.00 0.86 -0.03 1.15 -0.21 0.00 0.00 178.00 179.77 3hyu h THR 78 N 1.22 1.27 -0.13 -1.15 2.02 -1.95 -2.69 112.91 111.51 3hyu h THR 78 Ca 0.32 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 3hyu h THR 78 Cb -0.03 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3hyu h THR 78 CO -0.06 0.29 -0.26 0.00 0.37 0.00 0.00 175.52 175.87 3hyu h ALA 79 N 0.75 1.34 -0.48 6.16 0.00 -1.28 -3.11 119.26 122.63 3hyu h ALA 79 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hyu h ALA 79 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hyu h ALA 79 CO 0.02 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.00 3hyu n LEU 80 N -4.16 4.13 -0.12 0.00 4.77 -0.24 -4.72 117.00 116.67 3hyu n LEU 80 Ca -0.01 -2.48 -0.05 0.00 -0.03 0.00 0.00 56.01 53.44 3hyu n LEU 80 Cb 0.36 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3hyu n LEU 80 CO 0.40 0.76 0.87 -1.28 -1.33 0.00 0.00 177.39 176.80 3hyu h SER 81 N 3.05 -0.11 -0.18 -1.43 0.87 -1.41 -0.44 113.55 113.90 3hyu h SER 81 Ca 0.00 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3hyu h SER 81 Cb 1.28 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 3hyu h SER 81 CO 0.18 -0.02 -0.05 0.71 -0.53 0.00 0.00 176.83 177.12 3hyu h THR 82 N 0.13 1.20 -0.01 2.23 1.35 -1.86 -2.05 112.91 113.91 3hyu h THR 82 Ca 0.19 -0.85 -0.13 0.00 -0.55 0.00 0.00 66.41 65.07 3hyu h THR 82 Cb 0.26 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 3hyu h THR 82 CO -0.30 0.28 -0.60 -0.07 -0.25 0.00 0.00 175.52 174.59 3hyu h LEU 83 N 0.46 0.02 -0.52 3.87 3.38 -1.62 -2.34 115.31 118.57 3hyu h LEU 83 Ca 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hyu h LEU 83 Cb 0.38 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3hyu h LEU 83 CO 0.02 0.62 0.18 -1.28 0.09 0.00 0.00 178.44 178.06 3hyu h SER 84 N 0.02 0.74 -0.65 -0.43 0.87 -0.63 -1.22 113.55 112.24 3hyu h SER 84 Ca -0.01 -0.19 0.10 0.00 -1.23 0.00 0.00 61.79 60.47 3hyu h SER 84 Cb 1.06 -0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 62.75 3hyu h SER 84 CO 0.08 0.73 0.26 0.44 -0.53 0.00 0.00 176.83 177.81 3hyu h ASP 85 N 0.70 0.27 -0.14 6.23 3.32 -1.10 0.21 116.42 125.91 3hyu h ASP 85 Ca 0.17 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3hyu h ASP 85 Cb 0.24 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3hyu h ASP 85 CO -0.01 0.15 0.07 0.58 -1.72 0.00 0.00 179.24 178.32 3hyu h VAL 86 N 0.45 1.11 0.00 -1.35 2.07 -1.11 -1.11 116.25 116.31 3hyu h VAL 86 Ca 0.33 -0.30 -0.26 0.00 0.82 0.00 0.00 66.70 67.30 3hyu h VAL 86 Cb 0.42 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3hyu h VAL 86 CO -0.32 0.10 -1.58 0.45 0.02 0.00 0.00 177.57 176.24 3hyu h HIS 87 N 0.12 0.00 0.00 1.57 3.86 -0.78 -1.24 115.15 118.68 3hyu h HIS 87 Ca 0.05 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.97 3hyu h HIS 87 Cb 0.09 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 3hyu h HIS 87 CO -0.04 0.90 -1.65 0.00 0.86 0.00 0.00 177.93 178.00 3hyu n ALA 88 N -2.50 0.91 -0.04 2.45 0.00 0.70 -1.87 120.51 120.15 3hyu n ALA 88 Ca -0.14 -0.72 -0.11 0.00 0.00 0.00 0.00 53.44 52.47 3hyu n ALA 88 Cb 1.00 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 20.10 3hyu n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hyu h HIS 89 N -1.00 -0.03 0.04 0.00 -0.00 -1.47 -3.19 115.15 109.50 3hyu h HIS 89 Ca -0.44 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.93 3hyu h HIS 89 Cb 1.34 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 3hyu h HIS 89 CO -0.02 0.68 -0.02 -0.22 -0.00 0.00 0.00 177.93 178.36 3hyu h LYS 90 N -0.93 -0.05 0.00 2.45 3.64 -1.20 -3.39 116.57 117.08 3hyu h LYS 90 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hyu h LYS 90 Cb 0.72 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3hyu h LYS 90 CO 0.01 0.48 -1.00 1.28 -2.27 0.00 0.00 179.45 177.95 3hyu n LEU 91 N -4.75 0.68 -3.77 5.20 4.77 -0.47 -4.99 117.00 113.67 3hyu n LEU 91 Ca -0.06 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 3hyu n LEU 91 Cb 0.27 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3hyu n LEU 91 CO 0.21 -0.07 -0.06 0.54 -1.33 0.00 0.00 177.39 176.68 3hyu n ARG 92 N -2.30 -4.79 -2.30 3.23 1.74 -1.07 -4.89 116.66 106.28 3hyu n ARG 92 Ca 0.01 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 3hyu n ARG 92 Cb 0.49 -5.14 -0.03 0.00 -1.02 0.00 0.00 32.46 26.76 3hyu n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hyu s VAL 93 N -3.65 3.85 0.23 1.55 1.01 -0.78 -4.97 120.40 117.64 3hyu s VAL 93 Ca 0.12 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 3hyu s VAL 93 Cb -0.06 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 3hyu s VAL 93 CO 0.83 0.02 1.54 -0.62 0.00 0.00 0.00 175.10 176.87 3hyu s ASP 94 N 1.59 6.54 0.61 3.32 -1.08 -1.26 -4.88 116.67 121.51 3hyu s ASP 94 Ca 0.61 2.73 0.30 0.00 -0.52 0.00 0.00 52.55 55.68 3hyu s ASP 94 Cb -0.30 -2.61 1.70 0.00 -1.46 0.00 0.00 42.92 40.24 3hyu s ASP 94 CO 0.26 -0.81 2.07 -0.65 0.52 0.00 0.00 175.17 176.56 3hyu h PRO 95 N 5.73 0.00 -0.21 4.34 0.11 -1.98 -1.21 132.00 138.78 3hyu h PRO 95 Ca -0.45 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 3hyu h PRO 95 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3hyu h PRO 95 CO 0.84 0.00 0.14 -0.24 -0.21 0.00 0.00 178.00 178.53 3hyu h VAL 96 N 0.00 0.98 -0.32 3.15 3.04 -2.01 -1.68 116.25 119.41 3hyu h VAL 96 Ca 0.08 -0.05 -0.04 0.00 -1.01 0.00 0.00 66.70 65.68 3hyu h VAL 96 Cb 0.56 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 3hyu h VAL 96 CO -0.00 0.03 0.01 0.78 -1.01 0.00 0.00 177.57 177.38 3hyu h ASN 97 N 0.15 0.45 -0.44 3.17 4.21 -1.59 -1.70 115.58 119.83 3hyu h ASN 97 Ca 0.09 -0.08 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 3hyu h ASN 97 Cb 0.17 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 3hyu h ASN 97 CO -0.01 0.51 -0.19 -0.26 -1.29 0.00 0.00 177.43 176.18 3hyu h PHE 98 N 0.47 1.06 -0.85 1.19 -1.00 -1.46 -1.29 116.94 115.06 3hyu h PHE 98 Ca 0.10 -0.24 0.06 0.00 2.81 0.00 0.00 57.97 60.70 3hyu h PHE 98 Cb 0.29 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.53 3hyu h PHE 98 CO 0.01 1.04 0.52 0.87 -1.61 0.00 0.00 178.31 179.14 3hyu h LYS 99 N 0.82 0.93 -0.05 1.51 1.57 -1.17 0.26 116.57 120.44 3hyu h LYS 99 Ca 0.11 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hyu h LYS 99 Cb 0.75 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3hyu h LYS 99 CO 0.06 0.61 0.01 0.74 -0.57 0.00 0.00 179.45 180.31 3hyu h PHE 100 N 0.96 0.08 -0.27 -1.35 0.04 -1.06 -2.30 116.94 113.04 3hyu h PHE 100 Ca 0.37 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 3hyu h PHE 100 Cb 0.17 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3hyu h PHE 100 CO -0.03 0.27 0.12 1.25 -0.60 0.00 0.00 178.31 179.31 3hyu h LEU 101 N -0.13 0.37 -0.69 1.54 5.85 -1.02 -1.87 115.31 119.36 3hyu h LEU 101 Ca 0.02 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3hyu h LEU 101 Cb 0.22 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3hyu h LEU 101 CO -0.00 0.41 0.45 0.78 -0.34 0.00 0.00 178.44 179.74 3hyu h ASN 102 N 0.30 0.77 -0.55 1.25 2.35 -0.93 0.18 115.58 118.95 3hyu h ASN 102 Ca 0.09 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3hyu h ASN 102 Cb 0.15 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3hyu h ASN 102 CO -0.01 0.55 0.33 -0.74 -1.65 0.00 0.00 177.43 175.91 3hyu h HIS 103 N 0.92 0.74 -0.20 1.19 -0.00 -1.33 -1.82 115.15 114.64 3hyu h HIS 103 Ca 0.26 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.56 3hyu h HIS 103 Cb -0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 3hyu h HIS 103 CO -0.03 0.51 -0.17 0.00 -0.00 0.00 0.00 177.93 178.24 3hyu h LEU 105 N 0.31 0.71 -0.67 0.00 3.38 -0.42 -1.88 115.31 116.75 3hyu h LEU 105 Ca 0.06 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3hyu h LEU 105 Cb 0.49 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3hyu h LEU 105 CO 0.03 0.74 0.16 -0.07 0.09 0.00 0.00 178.44 179.39 3hyu h LEU 106 N 0.65 1.03 -0.63 1.67 3.38 -0.83 -1.00 115.31 119.58 3hyu h LEU 106 Ca 0.15 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3hyu h LEU 106 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3hyu h LEU 106 CO -0.00 1.00 0.40 0.58 0.09 0.00 0.00 178.44 180.51 3hyu h VAL 107 N 1.01 1.10 -0.40 1.22 2.07 -1.02 0.42 116.25 120.65 3hyu h VAL 107 Ca 0.21 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hyu h VAL 107 Cb 0.38 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hyu h VAL 107 CO 0.00 0.14 0.24 0.74 0.02 0.00 0.00 177.57 178.72 3hyu h THR 108 N 0.79 1.13 -0.70 2.57 2.02 -0.96 -1.47 112.91 116.29 3hyu h THR 108 Ca 0.25 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3hyu h THR 108 Cb -0.01 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3hyu h THR 108 CO -0.09 0.13 0.16 -0.07 0.37 0.00 0.00 175.52 176.01 3hyu h LEU 109 N 0.53 1.08 -0.96 2.58 3.38 -0.89 -1.98 115.31 119.04 3hyu h LEU 109 Ca 0.14 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hyu h LEU 109 Cb -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3hyu h LEU 109 CO -0.03 1.04 0.63 0.00 0.09 0.00 0.00 178.44 180.17 3hyu h ALA 110 N 1.09 1.21 -0.47 1.53 0.00 -0.65 0.13 119.26 122.11 3hyu h ALA 110 Ca 0.22 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hyu h ALA 110 Cb 0.39 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hyu h ALA 110 CO 0.01 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.87 3hyu h ALA 111 N 1.35 0.63 0.00 0.00 0.00 -0.92 -2.64 119.26 117.68 3hyu h ALA 111 Ca 0.35 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3hyu h ALA 111 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3hyu h ALA 111 CO -0.08 0.42 -1.40 0.45 0.00 0.00 0.00 179.25 178.64 3hyu h HIS 112 N 0.68 0.00 0.00 0.00 -0.00 -1.05 -3.37 115.15 111.41 3hyu h HIS 112 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 3hyu h HIS 112 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 3hyu h HIS 112 CO 0.04 0.93 -1.49 1.28 -0.00 0.00 0.00 177.93 178.69 3hyu n LEU 113 N -3.13 0.51 0.00 2.43 4.32 0.42 -5.03 117.00 116.52 3hyu n LEU 113 Ca -0.10 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 3hyu n LEU 113 Cb 0.98 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.79 3hyu n LEU 113 CO 0.45 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3hyu n GLY 114 N 1.27 3.38 0.38 -0.72 0.00 -0.99 -1.97 105.19 106.53 3hyu n GLY 114 Ca -0.05 -0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.13 3hyu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hyu h ALA 115 N -0.73 2.30 0.00 4.61 0.00 -1.96 -0.91 119.26 122.57 3hyu h ALA 115 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hyu h ALA 115 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hyu h ALA 115 CO 0.00 -0.64 0.00 -0.44 0.00 0.00 0.00 179.25 178.17 3hyu h ASP 116 N 0.00 0.00 -1.50 0.00 3.32 -1.81 -3.30 116.42 113.13 3hyu h ASP 116 Ca 0.22 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.54 3hyu h ASP 116 Cb 1.01 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 3hyu h ASP 116 CO -0.00 0.00 1.89 0.33 -1.72 0.00 0.00 179.24 179.74 3hyu n PHE 117 N -2.82 4.00 -1.45 4.55 7.35 -0.35 -4.93 117.46 123.81 3hyu n PHE 117 Ca 0.00 -3.04 -0.30 0.00 -0.76 0.00 0.00 57.45 53.35 3hyu n PHE 117 Cb 0.22 -2.18 0.08 0.00 0.35 0.00 0.00 39.48 37.95 3hyu n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hyu s THR 118 N 1.56 3.38 0.34 -2.13 -4.23 -1.25 -4.76 115.64 108.55 3hyu s THR 118 Ca 0.43 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.44 3hyu s THR 118 Cb 0.05 -3.10 0.29 0.00 1.34 0.00 0.00 72.50 71.08 3hyu s THR 118 CO 0.00 -0.59 1.92 -0.65 -0.54 0.00 0.00 174.62 174.77 3hyu h PRO 119 N -1.04 0.81 -0.40 3.99 0.11 -1.94 0.10 132.00 133.63 3hyu h PRO 119 Ca -0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3hyu h PRO 119 Cb 1.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3hyu h PRO 119 CO 0.56 0.54 -0.02 0.77 -0.21 0.00 0.00 178.00 179.64 3hyu h SER 120 N 0.84 0.71 -0.69 -2.05 0.02 -1.99 -0.87 113.55 109.50 3hyu h SER 120 Ca 0.37 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3hyu h SER 120 Cb 0.34 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3hyu h SER 120 CO -0.14 0.86 0.13 0.40 -1.14 0.00 0.00 176.83 176.94 3hyu h ILE 121 N 0.54 1.26 -0.28 3.27 2.04 -1.78 -2.05 117.51 120.52 3hyu h ILE 121 Ca 0.11 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.95 3hyu h ILE 121 Cb 0.50 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3hyu h ILE 121 CO 0.02 0.39 0.17 -0.74 0.00 0.00 0.00 178.15 178.00 3hyu h HIS 122 N 1.07 0.32 -0.70 1.37 2.76 -0.69 -0.72 115.15 118.56 3hyu h HIS 122 Ca 0.21 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3hyu h HIS 122 Cb 0.42 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 3hyu h HIS 122 CO 0.03 0.20 0.46 0.00 -1.30 0.00 0.00 177.93 177.32 3hyu h ALA 123 N 1.11 0.89 -0.45 5.26 0.00 -0.94 0.25 119.26 125.38 3hyu h ALA 123 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hyu h ALA 123 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hyu h ALA 123 CO -0.04 0.31 -0.05 0.77 0.00 0.00 0.00 179.25 180.25 3hyu h SER 124 N 0.95 0.82 -0.31 0.00 0.02 -1.10 -2.10 113.55 111.83 3hyu h SER 124 Ca 0.26 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3hyu h SER 124 Cb -0.11 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3hyu h SER 124 CO -0.06 0.96 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.45 3hyu h LEU 125 N 0.66 0.69 -0.63 5.07 3.38 -0.83 -0.71 115.31 122.93 3hyu h LEU 125 Ca 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hyu h LEU 125 Cb 0.57 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3hyu h LEU 125 CO 0.03 0.80 0.30 -0.78 0.09 0.00 0.00 178.44 178.88 3hyu h ASP 126 N 0.65 0.83 -0.48 -0.43 3.58 -0.76 -0.16 116.42 119.66 3hyu h ASP 126 Ca 0.12 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 3hyu h ASP 126 Cb 0.51 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 3hyu h ASP 126 CO 0.03 0.73 0.13 0.11 -2.88 0.00 0.00 179.24 177.36 3hyu h LYS 127 N 0.87 0.75 0.03 0.28 1.57 -1.07 -1.73 116.57 117.27 3hyu h LYS 127 Ca 0.22 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hyu h LYS 127 Cb 0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hyu h LYS 127 CO -0.03 0.73 -0.04 0.35 -0.57 0.00 0.00 179.45 179.89 3hyu h PHE 128 N 0.64 -0.10 -0.71 -1.35 3.57 -0.80 -0.61 116.94 117.59 3hyu h PHE 128 Ca 0.15 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3hyu h PHE 128 Cb 0.30 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3hyu h PHE 128 CO 0.02 -0.06 0.32 0.74 -2.23 0.00 0.00 178.31 177.09 3hyu h PHE 129 N -0.08 1.02 -0.73 0.41 0.04 -0.96 -1.42 116.94 115.22 3hyu h PHE 129 Ca 0.01 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 3hyu h PHE 129 Cb 0.09 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 3hyu h PHE 129 CO -0.10 0.76 0.22 0.00 -0.60 0.00 0.00 178.31 178.59 3hyu h ALA 130 N 1.33 1.00 -0.45 2.45 0.00 -1.05 -0.91 119.26 121.63 3hyu h ALA 130 Ca 0.24 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hyu h ALA 130 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hyu h ALA 130 CO -0.03 0.66 0.14 0.77 0.00 0.00 0.00 179.25 180.80 3hyu h SER 131 N 1.09 0.65 -0.48 0.00 0.02 -0.53 -1.24 113.55 113.05 3hyu h SER 131 Ca 0.24 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3hyu h SER 131 Cb 0.32 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3hyu h SER 131 CO -0.01 0.68 0.29 0.58 -1.14 0.00 0.00 176.83 177.24 3hyu h VAL 132 N 0.58 1.06 -0.63 2.27 2.07 -1.03 -2.39 116.25 118.18 3hyu h VAL 132 Ca 0.14 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hyu h VAL 132 Cb 0.26 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3hyu h VAL 132 CO -0.00 0.11 0.40 0.28 0.02 0.00 0.00 177.57 178.38 3hyu h SER 133 N 0.58 0.74 -0.84 0.57 0.02 -0.91 -0.63 113.55 113.08 3hyu h SER 133 Ca 0.19 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3hyu h SER 133 Cb 0.00 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.30 3hyu h SER 133 CO -0.08 0.55 0.52 0.74 -1.14 0.00 0.00 176.83 177.42 3hyu h THR 134 N 0.86 1.05 -0.19 -2.27 2.02 -1.04 -1.72 112.91 111.62 3hyu h THR 134 Ca 0.23 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3hyu h THR 134 Cb -0.07 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 3hyu h THR 134 CO -0.05 0.17 -0.06 0.58 0.37 0.00 0.00 175.52 176.53 3hyu h VAL 135 N 0.96 1.30 0.00 3.16 2.07 -0.92 -2.72 116.25 120.09 3hyu h VAL 135 Ca 0.36 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3hyu h VAL 135 Cb 0.15 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3hyu h VAL 135 CO -0.17 0.32 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 3hyu h LEU 136 N 0.07 0.00 -2.09 2.57 3.38 -0.78 -2.10 115.31 116.36 3hyu h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hyu h LEU 136 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hyu h LEU 136 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 3hyu n THR 137 N -2.65 0.35 -3.51 0.22 -2.24 -0.68 -3.10 114.28 102.66 3hyu n THR 137 Ca 0.01 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 3hyu n THR 137 Cb 0.22 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 3hyu n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hyu s SER 138 N -1.34 6.59 -0.37 3.42 0.01 -0.79 -4.88 113.70 116.34 3hyu s SER 138 Ca 0.27 0.81 -0.05 0.00 1.31 0.00 0.00 55.95 58.29 3hyu s SER 138 Cb 0.17 -2.18 0.07 0.00 0.21 0.00 0.00 66.02 64.29 3hyu s SER 138 CO 0.24 -0.01 0.15 -0.54 0.41 0.00 0.00 173.24 173.49 3hyu s LYS 139 N -2.66 2.38 0.00 12.44 1.02 -1.26 -4.77 119.74 126.89 3hyu s LYS 139 Ca 0.44 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.96 3hyu s LYS 139 Cb -0.12 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 3hyu s LYS 139 CO 0.22 -0.85 0.00 2.48 -0.92 0.00 0.00 175.35 176.28 3hyu n TYR 140 N 4.72 0.00 -0.58 3.18 0.18 -1.26 -5.19 117.16 118.22 3hyu n TYR 140 Ca -0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.69 3hyu n TYR 140 Cb 0.43 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 3hyu n TYR 140 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32