#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4hhb s LEU 2 N 0.00 3.31 1.24 7.52 1.43 -1.26 -5.03 118.68 125.89 4hhb s LEU 2 Ca 0.00 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 4hhb s LEU 2 Cb 0.00 -2.87 0.27 0.00 0.03 0.00 0.00 46.19 43.62 4hhb s LEU 2 CO 0.00 -1.71 0.69 -1.54 0.23 0.00 0.00 176.35 174.02 4hhb n SER 3 N 9.22 -2.64 -0.03 2.29 3.41 -1.26 -4.80 113.62 119.81 4hhb n SER 3 Ca 0.07 -0.37 -0.02 0.00 -0.26 0.00 0.00 58.87 58.30 4hhb n SER 3 Cb 0.49 -1.08 0.23 0.00 -0.26 0.00 0.00 64.21 63.59 4hhb n SER 3 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 4hhb h PRO 4 N -2.82 0.60 0.67 4.33 0.11 -1.99 0.11 132.00 133.01 4hhb h PRO 4 Ca -0.53 -0.16 -0.03 0.00 0.11 0.00 0.00 66.00 65.40 4hhb h PRO 4 Cb 1.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 4hhb h PRO 4 CO 0.39 0.66 -0.44 0.00 -0.21 0.00 0.00 178.00 178.39 4hhb h ALA 5 N 1.38 -1.11 -0.79 -0.75 0.00 -2.00 -0.70 119.26 115.30 4hhb h ALA 5 Ca 0.11 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.95 4hhb h ALA 5 Cb 0.44 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 4hhb h ALA 5 CO 0.02 -1.14 -0.29 -0.44 0.00 0.00 0.00 179.25 177.40 4hhb h ASP 6 N -1.06 -1.06 -0.78 0.00 3.32 -1.54 -1.02 116.42 114.28 4hhb h ASP 6 Ca -0.08 0.26 0.15 0.00 0.02 0.00 0.00 57.03 57.38 4hhb h ASP 6 Cb 0.86 0.59 -0.15 0.00 0.22 0.00 0.00 39.33 40.86 4hhb h ASP 6 CO 0.06 -0.29 -0.22 0.11 -1.72 0.00 0.00 179.24 177.19 4hhb h LYS 7 N -0.05 -0.01 -0.44 3.56 1.57 -0.45 0.11 116.57 120.85 4hhb h LYS 7 Ca 0.33 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.18 4hhb h LYS 7 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 4hhb h LYS 7 CO -0.83 -0.01 0.10 1.15 -0.57 0.00 0.00 179.45 179.29 4hhb h THR 8 N -0.01 0.77 -0.60 -0.16 2.02 -0.90 -0.56 112.91 113.46 4hhb h THR 8 Ca 0.37 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.51 4hhb h THR 8 Cb 0.58 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 4hhb h THR 8 CO -0.81 0.04 0.35 0.78 0.37 0.00 0.00 175.52 176.24 4hhb h ASN 9 N 0.23 0.54 -0.25 4.18 2.35 -0.87 0.11 115.58 121.88 4hhb h ASN 9 Ca 0.22 0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.79 4hhb h ASN 9 Cb 0.27 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.55 4hhb h ASN 9 CO -0.28 0.37 -0.59 0.58 -1.65 0.00 0.00 177.43 175.87 4hhb h VAL 10 N 0.67 1.28 -0.91 2.81 2.07 -0.52 -1.73 116.25 119.93 4hhb h VAL 10 Ca 0.25 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 66.04 4hhb h VAL 10 Cb 0.09 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 4hhb h VAL 10 CO -0.13 0.57 0.58 0.11 0.02 0.00 0.00 177.57 178.72 4hhb h LYS 11 N 0.59 1.09 -0.10 1.57 1.57 -1.02 -0.15 116.57 120.13 4hhb h LYS 11 Ca -0.00 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 4hhb h LYS 11 Cb 1.20 -0.25 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 4hhb h LYS 11 CO 0.13 0.72 -0.48 0.00 -0.57 0.00 0.00 179.45 179.25 4hhb h ALA 12 N 1.38 -0.74 0.05 3.86 0.00 -0.64 -2.68 119.26 120.49 4hhb h ALA 12 Ca 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.25 4hhb h ALA 12 Cb 0.02 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 4hhb h ALA 12 CO -0.13 -1.01 -0.46 0.00 0.00 0.00 0.00 179.25 177.66 4hhb h ALA 13 N -0.10 -0.91 0.00 0.00 0.00 -1.22 -2.46 119.26 114.57 4hhb h ALA 13 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 4hhb h ALA 13 Cb 0.67 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 4hhb h ALA 13 CO -0.40 -1.04 -0.10 2.35 0.00 0.00 0.00 179.25 180.07 4hhb h TRP 14 N -0.61 0.00 -0.35 0.00 2.91 -1.03 -2.41 115.95 114.46 4hhb h TRP 14 Ca 0.00 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.06 4hhb h TRP 14 Cb 0.63 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.22 4hhb h TRP 14 CO -0.46 0.10 -0.38 0.78 -1.03 0.00 0.00 178.44 177.44 4hhb h GLY 15 N 2.38 -1.35 1.80 2.65 0.00 -1.40 0.14 103.07 107.29 4hhb h GLY 15 Ca -0.00 0.79 -0.21 0.00 0.00 0.00 0.00 47.33 47.91 4hhb h GLY 15 CO 0.01 -0.32 -1.07 0.50 0.00 0.00 0.00 176.54 175.67 4hhb h LYS 16 N -0.22 0.00 0.00 4.80 1.79 -1.17 0.77 116.57 122.55 4hhb h LYS 16 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 4hhb h LYS 16 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 4hhb h LYS 16 CO -0.45 0.83 0.00 0.28 -1.08 0.00 0.00 179.45 179.04 4hhb n VAL 17 N -3.27 0.00 -2.09 0.50 0.31 0.27 -4.81 118.33 109.23 4hhb n VAL 17 Ca -0.03 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 4hhb n VAL 17 Cb 0.93 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 4hhb n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4hhb n GLY 18 N -0.17 0.54 0.50 2.92 0.00 0.26 -1.31 105.19 107.93 4hhb n GLY 18 Ca 0.00 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.07 4hhb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4hhb n ALA 19 N 6.45 2.55 1.16 4.61 0.00 -1.26 -2.08 120.51 131.93 4hhb n ALA 19 Ca 0.00 -0.47 0.14 0.00 0.00 0.00 0.00 53.44 53.10 4hhb n ALA 19 Cb 0.00 -1.14 0.58 0.00 0.00 0.00 0.00 19.45 18.89 4hhb n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 4hhb n HIS 20 N 0.21 0.00 -0.34 0.00 -0.00 -0.43 -4.46 115.22 110.20 4hhb n HIS 20 Ca 0.18 0.00 0.27 0.00 -0.00 0.00 0.00 57.72 58.17 4hhb n HIS 20 Cb 0.33 -0.36 0.53 0.00 -0.00 0.00 0.00 29.99 30.49 4hhb n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 4hhb h ALA 21 N 3.20 2.08 -0.25 -1.41 0.00 -1.54 0.85 119.26 122.19 4hhb h ALA 21 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 4hhb h ALA 21 Cb 0.43 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 4hhb h ALA 21 CO 0.00 -0.75 0.05 0.78 0.00 0.00 0.00 179.25 179.33 4hhb h GLY 22 N 0.20 0.44 0.72 0.00 0.00 -1.84 -1.23 103.07 101.36 4hhb h GLY 22 Ca 0.78 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.84 4hhb h GLY 22 CO -0.65 0.26 -0.11 -2.09 0.00 0.00 0.00 176.54 173.96 4hhb h GLU 23 N 0.23 -0.17 -0.51 4.80 4.81 -1.53 -2.71 114.58 119.50 4hhb h GLU 23 Ca 0.08 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 4hhb h GLU 23 Cb 0.30 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 4hhb h GLU 23 CO 0.00 -0.12 0.08 1.88 -0.73 0.00 0.00 179.01 180.12 4hhb h TYR 24 N -0.18 0.11 -0.34 0.92 0.99 -0.52 -1.61 116.97 116.34 4hhb h TYR 24 Ca 0.04 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.77 4hhb h TYR 24 Cb 0.23 0.03 -0.02 0.00 1.00 0.00 0.00 36.73 37.97 4hhb h TYR 24 CO -0.17 -0.04 0.04 0.78 -0.00 0.00 0.00 178.16 178.76 4hhb h GLY 25 N 0.21 0.54 0.33 3.88 0.00 -0.99 0.50 103.07 107.54 4hhb h GLY 25 Ca 0.26 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.34 4hhb h GLY 25 CO -0.36 0.28 -0.22 0.00 0.00 0.00 0.00 176.54 176.24 4hhb h ALA 26 N 1.56 -0.18 -0.24 3.60 0.00 -1.41 -1.48 119.26 121.10 4hhb h ALA 26 Ca 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 4hhb h ALA 26 Cb 0.26 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 4hhb h ALA 26 CO 0.00 -0.68 -0.36 1.49 0.00 0.00 0.00 179.25 179.71 4hhb h GLU 27 N -0.28 0.53 -0.81 0.00 4.81 -1.04 -2.13 114.58 115.65 4hhb h GLU 27 Ca 0.10 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 4hhb h GLU 27 Cb 0.43 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 4hhb h GLU 27 CO -0.29 0.81 0.52 0.00 -0.73 0.00 0.00 179.01 179.33 4hhb h ALA 28 N 1.17 1.05 -0.69 2.92 0.00 -0.60 0.24 119.26 123.35 4hhb h ALA 28 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 4hhb h ALA 28 Cb 0.84 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 4hhb h ALA 28 CO 0.07 0.37 0.44 -0.07 0.00 0.00 0.00 179.25 180.06 4hhb h LEU 29 N 1.04 0.81 -0.07 0.00 3.38 -0.68 -0.88 115.31 118.91 4hhb h LEU 29 Ca 0.31 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.28 4hhb h LEU 29 Cb -0.03 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 4hhb h LEU 29 CO -0.10 0.60 -0.42 -0.08 0.09 0.00 0.00 178.44 178.53 4hhb h GLU 30 N 0.94 -0.51 -0.33 1.13 4.81 -1.10 0.17 114.58 119.68 4hhb h GLU 30 Ca 0.25 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 4hhb h GLU 30 Cb -0.08 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 4hhb h GLU 30 CO -0.05 -0.34 0.01 0.00 -0.73 0.00 0.00 179.01 177.90 4hhb h ARG 31 N -0.53 0.11 -0.16 1.92 3.08 -0.07 -2.37 114.38 116.35 4hhb h ARG 31 Ca 0.06 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.15 4hhb h ARG 31 Cb 0.64 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 4hhb h ARG 31 CO -0.36 0.07 -0.18 1.98 -1.07 0.00 0.00 179.97 180.41 4hhb h MET 32 N 0.11 -0.21 -0.31 0.04 4.05 -0.67 0.80 114.93 118.74 4hhb h MET 32 Ca 0.16 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.56 4hhb h MET 32 Cb 0.21 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 4hhb h MET 32 CO -0.25 -0.14 0.07 0.74 0.23 0.00 0.00 176.91 177.55 4hhb h PHE 33 N -0.22 0.45 0.10 1.39 0.04 -0.57 -0.27 116.94 117.87 4hhb h PHE 33 Ca 0.11 -0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.67 4hhb h PHE 33 Cb 0.38 -0.14 0.02 0.00 2.20 0.00 0.00 35.95 38.41 4hhb h PHE 33 CO -0.31 0.41 -0.80 -0.07 -0.60 0.00 0.00 178.31 176.94 4hhb h LEU 34 N 0.44 0.53 -0.45 1.54 3.38 -1.28 -3.33 115.31 116.14 4hhb h LEU 34 Ca 0.11 -0.88 -0.13 0.00 0.09 0.00 0.00 57.88 57.06 4hhb h LEU 34 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 4hhb h LEU 34 CO -0.00 1.36 -0.62 0.28 0.09 0.00 0.00 178.44 179.55 4hhb h SER 35 N -0.23 0.00 -2.45 -0.43 0.02 -0.73 -3.40 113.55 106.33 4hhb h SER 35 Ca -0.13 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.23 4hhb h SER 35 Cb 1.57 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.73 4hhb h SER 35 CO 0.15 0.62 -0.93 -0.36 -1.14 0.00 0.00 176.83 175.17 4hhb s PHE 36 N -3.23 1.35 0.44 3.45 0.40 -0.12 -4.99 117.98 115.29 4hhb s PHE 36 Ca 0.01 -2.43 0.40 0.00 -0.60 0.00 0.00 56.93 54.31 4hhb s PHE 36 Cb 0.10 -1.11 2.06 0.00 0.51 0.00 0.00 43.02 44.58 4hhb s PHE 36 CO 0.75 -0.80 2.22 -1.00 0.70 0.00 0.00 175.22 177.09 4hhb h PRO 37 N 5.63 0.00 -0.71 0.24 0.13 -1.74 -0.08 132.00 135.47 4hhb h PRO 37 Ca 0.25 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.48 4hhb h PRO 37 Cb 0.89 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.98 4hhb h PRO 37 CO 0.41 0.00 0.47 1.79 -0.23 0.00 0.00 178.00 180.44 4hhb h THR 38 N 0.00 0.92 0.00 1.56 1.35 -1.91 -0.71 112.91 114.12 4hhb h THR 38 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 4hhb h THR 38 Cb 0.14 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 4hhb h THR 38 CO 0.00 0.11 0.06 0.71 -0.25 0.00 0.00 175.52 176.15 4hhb h THR 39 N 0.59 0.00 0.00 6.82 1.35 -1.33 -2.40 112.91 117.93 4hhb h THR 39 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 4hhb h THR 39 Cb 0.50 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 4hhb h THR 39 CO -0.11 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.45 4hhb n LYS 40 N -2.53 0.16 0.08 4.72 5.02 -0.27 -2.78 118.16 122.56 4hhb n LYS 40 Ca -0.02 0.26 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 4hhb n LYS 40 Cb 0.10 -1.74 0.41 0.00 -0.02 0.00 0.00 35.03 33.78 4hhb n LYS 40 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 4hhb n THR 41 N -2.04 0.95 0.98 -0.18 -2.24 -0.91 -1.59 114.28 109.26 4hhb n THR 41 Ca 0.04 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.21 4hhb n THR 41 Cb 0.31 -1.15 -0.01 0.00 -2.10 0.00 0.00 70.33 67.38 4hhb n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 4hhb n TYR 42 N -1.95 0.00 -2.98 4.78 4.01 -1.12 -4.39 117.16 115.51 4hhb n TYR 42 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 4hhb n TYR 42 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 4hhb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 4hhb n PHE 43 N -0.02 1.43 1.31 -0.72 3.01 -0.62 -4.88 117.46 116.97 4hhb n PHE 43 Ca 0.09 -3.61 0.11 0.00 1.01 0.00 0.00 57.45 55.05 4hhb n PHE 43 Cb 0.46 -0.40 0.40 0.00 -0.01 0.00 0.00 39.48 39.94 4hhb n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 4hhb n PRO 44 N 0.05 1.67 0.06 -1.08 -0.04 -1.25 -2.21 135.00 132.19 4hhb n PRO 44 Ca 0.24 -1.00 0.12 0.00 -0.04 0.00 0.00 63.50 62.82 4hhb n PRO 44 Cb 0.63 -1.40 0.20 0.00 -0.04 0.00 0.00 33.50 32.90 4hhb n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 4hhb n HIS 45 N 0.23 0.53 -3.11 0.54 1.44 -1.26 -4.92 115.22 108.67 4hhb n HIS 45 Ca 0.16 0.15 -0.24 0.00 -2.01 0.00 0.00 57.72 55.79 4hhb n HIS 45 Cb 0.31 -0.64 -0.00 0.00 0.12 0.00 0.00 29.99 29.78 4hhb n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 4hhb s PHE 46 N -3.15 3.41 -0.42 -1.40 2.99 -0.94 -5.08 117.98 113.40 4hhb s PHE 46 Ca 0.07 0.39 -0.18 0.00 0.00 0.00 0.00 56.93 57.21 4hhb s PHE 46 Cb 0.14 -2.12 0.02 0.00 0.00 0.00 0.00 43.02 41.06 4hhb s PHE 46 CO 0.71 -0.13 0.51 0.34 -0.00 0.00 0.00 175.22 176.65 4hhb s ASP 47 N -4.11 6.24 -0.31 1.36 -1.08 -1.26 -4.94 116.67 112.56 4hhb s ASP 47 Ca 0.44 -0.51 0.02 0.00 -0.52 0.00 0.00 52.55 51.98 4hhb s ASP 47 Cb -0.10 -2.26 0.39 0.00 -1.46 0.00 0.00 42.92 39.50 4hhb s ASP 47 CO 0.38 -0.63 1.67 0.18 0.52 0.00 0.00 175.17 177.29 4hhb n LEU 48 N 5.81 5.67 -4.77 -1.34 4.77 -1.26 -4.48 117.00 121.40 4hhb n LEU 48 Ca -0.05 -2.99 -0.34 0.00 -0.03 0.00 0.00 56.01 52.59 4hhb n LEU 48 Cb 0.48 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 4hhb n LEU 48 CO 0.48 0.94 0.77 -0.94 -1.33 0.00 0.00 177.39 177.31 4hhb s SER 49 N -0.44 5.52 0.19 -1.43 1.04 -1.26 -4.88 113.70 112.44 4hhb s SER 49 Ca 0.37 2.11 -0.32 0.00 0.48 0.00 0.00 55.95 58.60 4hhb s SER 49 Cb 0.31 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.75 4hhb s SER 49 CO 0.05 -1.35 1.61 -2.28 0.98 0.00 0.00 173.24 172.25 4hhb s HIS 50 N -1.97 2.99 0.00 5.02 2.46 -1.26 -1.32 115.29 121.21 4hhb s HIS 50 Ca 0.71 0.56 0.00 0.00 0.47 0.00 0.00 55.06 56.80 4hhb s HIS 50 Cb -0.23 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 4hhb s HIS 50 CO 0.32 -3.69 0.00 0.41 -2.47 0.00 0.00 174.74 169.31 4hhb n GLY 51 N 3.67 0.75 3.59 1.59 0.00 -1.26 -5.02 105.19 108.51 4hhb n GLY 51 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 4hhb n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4hhb n SER 52 N 0.00 2.82 -0.27 1.61 2.88 -0.44 -4.83 113.62 115.40 4hhb n SER 52 Ca 0.00 0.70 0.14 0.00 -1.33 0.00 0.00 58.87 58.37 4hhb n SER 52 Cb 0.00 -1.32 0.26 0.00 -0.75 0.00 0.00 64.21 62.40 4hhb n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 4hhb n ALA 53 N 8.22 0.46 -0.22 -1.46 0.00 -1.26 -1.83 120.51 124.41 4hhb n ALA 53 Ca 0.31 0.84 -0.03 0.00 0.00 0.00 0.00 53.44 54.56 4hhb n ALA 53 Cb 0.27 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.15 4hhb n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 4hhb h GLN 54 N 0.00 0.68 -0.26 0.00 4.20 -1.88 0.71 115.11 118.57 4hhb h GLN 54 Ca 0.51 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 59.06 4hhb h GLN 54 Cb 1.10 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 4hhb h GLN 54 CO -0.73 0.45 -0.28 0.28 -0.67 0.00 0.00 178.83 177.88 4hhb h VAL 55 N 0.70 1.31 -0.77 -0.54 2.07 -1.66 0.28 116.25 117.65 4hhb h VAL 55 Ca 0.28 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.40 4hhb h VAL 55 Cb 0.12 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 4hhb h VAL 55 CO -0.15 0.46 0.50 0.11 0.02 0.00 0.00 177.57 178.51 4hhb h LYS 56 N 0.37 0.78 -0.20 1.57 1.57 -1.20 0.17 116.57 119.62 4hhb h LYS 56 Ca 0.04 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 4hhb h LYS 56 Cb 0.85 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 4hhb h LYS 56 CO 0.07 0.51 -0.16 0.78 -0.57 0.00 0.00 179.45 180.08 4hhb h GLY 57 N 0.80 0.51 0.91 3.86 0.00 -0.66 -1.86 103.07 106.63 4hhb h GLY 57 Ca 0.33 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 4hhb h GLY 57 CO -0.12 0.45 0.05 0.84 0.00 0.00 0.00 176.54 177.77 4hhb h HIS 58 N 0.14 0.15 -0.41 5.60 -0.00 -0.65 -1.84 115.15 118.14 4hhb h HIS 58 Ca 0.04 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.48 4hhb h HIS 58 Cb 0.69 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 4hhb h HIS 58 CO 0.07 0.20 0.28 0.78 -0.00 0.00 0.00 177.93 179.27 4hhb h GLY 59 N 0.05 0.28 0.77 5.26 0.00 -0.34 -0.52 103.07 108.58 4hhb h GLY 59 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.32 4hhb h GLY 59 CO -0.00 0.06 0.40 1.70 0.00 0.00 0.00 176.54 178.70 4hhb h LYS 60 N 0.22 0.74 -0.55 4.80 3.64 -1.16 0.55 116.57 124.80 4hhb h LYS 60 Ca 0.18 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 4hhb h LYS 60 Cb 0.45 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 4hhb h LYS 60 CO -0.03 0.49 0.12 0.87 -2.27 0.00 0.00 179.45 178.62 4hhb h LYS 61 N 0.76 0.89 -0.88 1.90 1.57 -0.51 -1.56 116.57 118.75 4hhb h LYS 61 Ca 0.29 -0.22 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 4hhb h LYS 61 Cb 0.11 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 4hhb h LYS 61 CO -0.14 0.85 0.53 0.28 -0.57 0.00 0.00 179.45 180.39 4hhb h VAL 62 N 0.79 0.96 0.19 0.50 2.07 -0.72 -0.97 116.25 119.08 4hhb h VAL 62 Ca 0.17 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 4hhb h VAL 62 Cb 0.36 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 4hhb h VAL 62 CO 0.00 0.16 -0.09 0.00 0.02 0.00 0.00 177.57 177.67 4hhb h ALA 63 N 1.45 -0.26 -0.33 1.67 0.00 -0.73 -1.43 119.26 119.63 4hhb h ALA 63 Ca 0.41 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 4hhb h ALA 63 Cb 0.31 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 4hhb h ALA 63 CO -0.22 -0.64 -0.23 -0.44 0.00 0.00 0.00 179.25 177.72 4hhb h ASP 64 N -0.27 0.65 -0.17 0.00 3.32 -1.13 -0.39 116.42 118.43 4hhb h ASP 64 Ca -0.03 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 4hhb h ASP 64 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 4hhb h ASP 64 CO 0.04 0.87 0.09 0.00 -1.72 0.00 0.00 179.24 178.52 4hhb h ALA 65 N 1.19 1.76 -0.27 3.45 0.00 -0.54 0.36 119.26 125.20 4hhb h ALA 65 Ca 0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 4hhb h ALA 65 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 4hhb h ALA 65 CO 0.05 0.20 -0.54 -0.07 0.00 0.00 0.00 179.25 178.89 4hhb h LEU 66 N 0.29 0.95 -0.26 0.00 3.38 -0.54 0.40 115.31 119.54 4hhb h LEU 66 Ca 0.07 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 4hhb h LEU 66 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 4hhb h LEU 66 CO -0.01 1.31 0.11 0.74 0.09 0.00 0.00 178.44 180.69 4hhb h THR 67 N 0.62 1.16 -1.01 0.22 2.02 -0.69 0.43 112.91 115.66 4hhb h THR 67 Ca 0.01 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.77 4hhb h THR 67 Cb 1.15 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.50 4hhb h THR 67 CO 0.12 0.16 0.66 -1.13 0.37 0.00 0.00 175.52 175.70 4hhb h ASN 68 N 0.28 1.07 0.04 4.18 -1.24 -0.36 -2.39 115.58 117.15 4hhb h ASN 68 Ca 0.09 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.12 4hhb h ASN 68 Cb 0.15 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 4hhb h ASN 68 CO -0.01 0.70 -0.14 0.00 -1.29 0.00 0.00 177.43 176.69 4hhb h ALA 69 N 1.44 -0.20 -0.50 1.57 0.00 0.91 -2.45 119.26 120.04 4hhb h ALA 69 Ca 0.42 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.40 4hhb h ALA 69 Cb 0.10 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 4hhb h ALA 69 CO -0.15 -0.65 0.15 0.28 0.00 0.00 0.00 179.25 178.88 4hhb h VAL 70 N -0.26 0.79 -0.55 0.00 2.07 0.18 -1.72 116.25 116.77 4hhb h VAL 70 Ca 0.04 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.54 4hhb h VAL 70 Cb 0.30 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 4hhb h VAL 70 CO -0.11 0.06 -0.42 0.00 0.02 0.00 0.00 177.57 177.11 4hhb h ALA 71 N 1.36 -0.32 -0.22 1.67 0.00 -1.34 -2.81 119.26 117.60 4hhb h ALA 71 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.26 4hhb h ALA 71 Cb 0.29 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.01 4hhb h ALA 71 CO -0.28 -0.82 0.00 0.72 0.00 0.00 0.00 179.25 178.87 4hhb n HIS 72 N -5.41 0.29 0.04 0.00 8.25 -0.93 -4.82 115.22 112.65 4hhb n HIS 72 Ca 0.01 -0.15 0.22 0.00 -0.26 0.00 0.00 57.72 57.55 4hhb n HIS 72 Cb 0.35 0.00 0.71 0.00 1.12 0.00 0.00 29.99 32.17 4hhb n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 4hhb h VAL 73 N 1.33 0.33 0.00 1.59 3.04 -1.04 0.15 116.25 121.66 4hhb h VAL 73 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 4hhb h VAL 73 Cb 0.30 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 4hhb h VAL 73 CO 0.00 0.00 -0.05 0.47 -1.01 0.00 0.00 177.57 176.98 4hhb n ASP 74 N -3.67 0.44 -2.96 3.17 8.00 -1.26 -3.98 116.55 116.28 4hhb n ASP 74 Ca 0.10 0.48 -0.15 0.00 0.71 0.00 0.00 54.79 55.93 4hhb n ASP 74 Cb 0.75 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 4hhb n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 4hhb n ASP 75 N -1.89 -1.71 0.02 -2.24 2.03 0.48 -4.97 116.55 108.26 4hhb n ASP 75 Ca 0.06 -2.95 -0.18 0.00 0.52 0.00 0.00 54.79 52.24 4hhb n ASP 75 Cb 0.39 0.76 -0.08 0.00 -0.72 0.00 0.00 41.12 41.46 4hhb n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 4hhb h MET 76 N 4.31 0.70 -1.03 -0.67 2.86 -1.54 -2.75 114.93 116.81 4hhb h MET 76 Ca -0.00 -0.68 0.30 0.00 -2.06 0.00 0.00 59.70 57.26 4hhb h MET 76 Cb 0.98 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 32.68 4hhb h MET 76 CO 0.33 1.27 0.61 -1.35 1.06 0.00 0.00 176.91 178.83 4hhb h PRO 77 N 0.43 0.38 -0.28 -0.22 0.11 -1.93 -1.09 132.00 129.41 4hhb h PRO 77 Ca -0.09 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.02 4hhb h PRO 77 Cb 1.57 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.55 4hhb h PRO 77 CO 0.18 0.25 -0.20 -0.97 -0.21 0.00 0.00 178.00 177.05 4hhb h ASN 78 N 0.40 -0.73 -0.53 -2.05 -1.24 -1.97 -2.28 115.58 107.18 4hhb h ASN 78 Ca 0.70 0.11 0.01 0.00 0.71 0.00 0.00 56.30 57.83 4hhb h ASN 78 Cb 1.58 0.31 -0.03 0.00 0.73 0.00 0.00 38.32 40.92 4hhb h ASN 78 CO -0.52 -0.10 0.35 0.00 -1.29 0.00 0.00 177.43 175.86 4hhb h ALA 79 N -0.61 1.67 -0.60 1.57 0.00 -1.16 -2.59 119.26 117.53 4hhb h ALA 79 Ca 0.05 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 4hhb h ALA 79 Cb 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 4hhb h ALA 79 CO -0.29 0.30 0.18 1.28 0.00 0.00 0.00 179.25 180.72 4hhb n LEU 80 N -4.46 5.40 -0.07 0.00 4.77 -0.44 -4.71 117.00 117.48 4hhb n LEU 80 Ca 0.05 -3.29 -0.10 0.00 -0.03 0.00 0.00 56.01 52.63 4hhb n LEU 80 Cb 0.08 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 4hhb n LEU 80 CO 0.35 0.87 0.86 -1.28 -1.33 0.00 0.00 177.39 176.86 4hhb h SER 81 N 2.16 0.34 -0.13 -1.43 0.87 -0.99 0.14 113.55 114.52 4hhb h SER 81 Ca 0.23 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 4hhb h SER 81 Cb 2.09 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 4hhb h SER 81 CO 0.61 0.43 -0.01 0.00 -0.53 0.00 0.00 176.83 177.32 4hhb h ALA 82 N 0.93 1.55 0.00 6.23 0.00 -1.84 0.28 119.26 126.41 4hhb h ALA 82 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 4hhb h ALA 82 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 4hhb h ALA 82 CO -0.01 0.33 -0.41 1.28 0.00 0.00 0.00 179.25 180.44 4hhb n LEU 83 N -4.34 0.55 -0.21 0.00 4.77 -0.31 -0.79 117.00 116.68 4hhb n LEU 83 Ca 0.00 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 4hhb n LEU 83 Cb 0.21 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 4hhb n LEU 83 CO 0.37 -0.01 0.92 0.28 -1.33 0.00 0.00 177.39 177.62 4hhb h SER 84 N 0.00 0.89 -0.77 -1.43 0.02 -0.42 -0.37 113.55 111.46 4hhb h SER 84 Ca 0.00 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 4hhb h SER 84 Cb 0.64 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 4hhb h SER 84 CO 0.00 0.89 0.51 0.44 -1.14 0.00 0.00 176.83 177.53 4hhb h ASP 85 N 0.85 0.78 -0.52 3.07 3.32 -0.76 -1.36 116.42 121.80 4hhb h ASP 85 Ca 0.19 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 4hhb h ASP 85 Cb 0.34 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 4hhb h ASP 85 CO 0.00 0.52 0.27 0.25 -1.72 0.00 0.00 179.24 178.57 4hhb h LEU 86 N 0.90 0.66 0.02 1.55 5.85 -0.40 -1.39 115.31 122.50 4hhb h LEU 86 Ca 0.32 -0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.70 4hhb h LEU 86 Cb 0.13 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 4hhb h LEU 86 CO -0.10 0.58 -1.11 0.45 -0.34 0.00 0.00 178.44 177.92 4hhb h HIS 87 N 0.70 0.09 0.92 1.25 3.86 -1.05 -1.16 115.15 119.76 4hhb h HIS 87 Ca 0.18 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 4hhb h HIS 87 Cb 0.07 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.55 4hhb h HIS 87 CO -0.01 1.06 -0.44 0.00 0.86 0.00 0.00 177.93 179.39 4hhb h ALA 88 N 0.92 -1.24 0.00 2.45 0.00 -1.06 0.81 119.26 121.13 4hhb h ALA 88 Ca -0.06 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 4hhb h ALA 88 Cb 1.83 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 4hhb h ALA 88 CO 0.14 -1.19 -0.73 0.45 0.00 0.00 0.00 179.25 177.92 4hhb h HIS 89 N -1.26 0.00 0.00 0.00 3.86 -1.33 -3.42 115.15 113.00 4hhb h HIS 89 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 4hhb h HIS 89 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 4hhb h HIS 89 CO -0.01 0.51 0.00 1.17 0.86 0.00 0.00 177.93 180.46 4hhb n LYS 90 N -3.13 0.00 -0.05 2.45 4.81 -0.86 -4.86 118.16 116.52 4hhb n LYS 90 Ca -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.31 4hhb n LYS 90 Cb 0.75 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.74 4hhb n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 4hhb h LEU 91 N 0.00 0.27 -1.27 3.14 3.38 -1.32 -3.47 115.31 116.03 4hhb h LEU 91 Ca 0.00 -0.32 -0.31 0.00 0.09 0.00 0.00 57.88 57.34 4hhb h LEU 91 Cb 0.00 -0.07 0.13 0.00 0.09 0.00 0.00 40.66 40.81 4hhb h LEU 91 CO 0.00 0.52 -0.62 0.54 0.09 0.00 0.00 178.44 178.97 4hhb n ARG 92 N -4.74 -6.29 -2.60 1.13 1.74 0.28 -4.93 116.66 101.24 4hhb n ARG 92 Ca -0.05 0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 57.33 4hhb n ARG 92 Cb 0.22 -5.40 -0.04 0.00 -1.02 0.00 0.00 32.46 26.23 4hhb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 4hhb s VAL 93 N -3.29 4.27 0.29 1.55 1.01 -1.25 -4.96 120.40 118.02 4hhb s VAL 93 Ca 0.26 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 4hhb s VAL 93 Cb -0.11 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 4hhb s VAL 93 CO 0.63 0.24 1.59 -0.67 0.00 0.00 0.00 175.10 176.89 4hhb n ASP 94 N 3.04 3.82 0.17 3.32 2.03 -1.26 -4.86 116.55 122.81 4hhb n ASP 94 Ca 0.04 1.15 0.11 0.00 0.52 0.00 0.00 54.79 56.61 4hhb n ASP 94 Cb 0.48 -1.59 0.60 0.00 -0.72 0.00 0.00 41.12 39.89 4hhb n ASP 94 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 4hhb n PRO 95 N 2.11 0.14 0.22 -0.67 -0.02 -1.26 -1.61 135.00 133.90 4hhb n PRO 95 Ca 0.08 0.64 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 4hhb n PRO 95 Cb 0.37 -1.97 0.50 0.00 -0.02 0.00 0.00 33.50 32.37 4hhb n PRO 95 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 4hhb h VAL 96 N 0.00 0.93 0.00 -1.45 -1.51 -2.03 -2.53 116.25 109.66 4hhb h VAL 96 Ca 0.00 -0.97 -0.08 0.00 -1.23 0.00 0.00 66.70 64.42 4hhb h VAL 96 Cb 0.01 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 4hhb h VAL 96 CO 0.00 0.25 -0.40 0.78 -1.23 0.00 0.00 177.57 176.98 4hhb h ASN 97 N 0.00 0.00 -1.00 4.19 2.35 -1.66 -2.38 115.58 117.08 4hhb h ASN 97 Ca -0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 4hhb h ASN 97 Cb 0.54 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.83 4hhb h ASN 97 CO 0.03 0.40 0.63 -0.26 -1.65 0.00 0.00 177.43 176.58 4hhb h PHE 98 N 0.00 1.13 -0.69 1.19 0.04 -1.63 -1.61 116.94 115.37 4hhb h PHE 98 Ca -0.00 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.86 4hhb h PHE 98 Cb 0.72 -0.36 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 4hhb h PHE 98 CO 0.00 0.44 0.38 1.57 -0.60 0.00 0.00 178.31 180.10 4hhb h LYS 99 N 0.98 0.67 0.40 1.51 2.10 -1.59 -0.61 116.57 120.03 4hhb h LYS 99 Ca 0.50 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 59.09 4hhb h LYS 99 Cb 0.51 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 4hhb h LYS 99 CO -0.27 0.44 -0.21 -0.07 -2.00 0.00 0.00 179.45 177.35 4hhb h LEU 100 N 0.69 -0.50 -0.79 7.07 3.38 -1.45 -1.20 115.31 122.51 4hhb h LEU 100 Ca 0.31 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 4hhb h LEU 100 Cb 0.21 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 4hhb h LEU 100 CO -0.19 -0.35 -0.55 0.25 0.09 0.00 0.00 178.44 177.68 4hhb h LEU 101 N -0.56 0.16 -0.37 1.67 5.85 -1.10 -2.51 115.31 118.44 4hhb h LEU 101 Ca -0.05 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 4hhb h LEU 101 Cb 0.44 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 4hhb h LEU 101 CO 0.08 0.68 -0.03 0.28 -0.34 0.00 0.00 178.44 179.11 4hhb h SER 102 N 0.11 0.66 -0.63 1.25 0.02 -0.99 0.16 113.55 114.13 4hhb h SER 102 Ca -0.00 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 4hhb h SER 102 Cb 1.01 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 4hhb h SER 102 CO 0.08 0.83 0.38 -0.74 -1.14 0.00 0.00 176.83 176.25 4hhb h HIS 103 N 0.48 0.83 -0.86 3.45 -0.00 -1.03 0.26 115.15 118.27 4hhb h HIS 103 Ca 0.10 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 4hhb h HIS 103 Cb 0.51 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.60 4hhb h HIS 103 CO 0.04 0.56 0.55 0.00 -0.00 0.00 0.00 177.93 179.09 4hhb h LEU 105 N 1.07 0.36 -0.54 0.00 5.85 -0.22 -1.53 115.31 120.30 4hhb h LEU 105 Ca 0.35 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.86 4hhb h LEU 105 Cb 0.02 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 40.84 4hhb h LEU 105 CO -0.12 0.58 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.23 4hhb h LEU 106 N 0.13 -0.91 -0.75 2.25 3.38 -0.36 -0.77 115.31 118.28 4hhb h LEU 106 Ca 0.06 0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.37 4hhb h LEU 106 Cb 0.40 0.48 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 4hhb h LEU 106 CO 0.01 -0.27 -0.25 0.58 0.09 0.00 0.00 178.44 178.60 4hhb h VAL 107 N -0.13 0.19 -0.11 1.22 2.07 -1.27 -0.54 116.25 117.68 4hhb h VAL 107 Ca 0.24 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.64 4hhb h VAL 107 Cb 0.51 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 4hhb h VAL 107 CO -0.62 0.00 -0.40 0.74 0.02 0.00 0.00 177.57 177.31 4hhb h THR 108 N -0.04 1.38 -0.10 2.57 2.02 -0.76 0.10 112.91 118.07 4hhb h THR 108 Ca 0.34 -1.72 0.03 0.00 0.77 0.00 0.00 66.41 65.82 4hhb h THR 108 Cb 0.57 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 69.08 4hhb h THR 108 CO -0.79 0.51 -0.48 -0.07 0.37 0.00 0.00 175.52 175.07 4hhb h LEU 109 N 0.06 -1.51 -0.98 2.58 3.38 -0.84 -2.45 115.31 115.55 4hhb h LEU 109 Ca -0.02 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.25 4hhb h LEU 109 Cb 1.03 0.59 -0.14 0.00 0.09 0.00 0.00 40.66 42.23 4hhb h LEU 109 CO 0.08 -0.43 -0.48 0.00 0.09 0.00 0.00 178.44 177.71 4hhb h ALA 110 N -0.46 -0.17 -0.61 1.53 0.00 -0.61 -1.04 119.26 117.90 4hhb h ALA 110 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.14 4hhb h ALA 110 Cb 0.60 1.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 4hhb h ALA 110 CO -0.37 -0.78 0.39 0.00 0.00 0.00 0.00 179.25 178.48 4hhb h ALA 111 N 0.97 1.54 0.01 0.00 0.00 -0.72 -3.34 119.26 117.72 4hhb h ALA 111 Ca 0.26 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.76 4hhb h ALA 111 Cb 0.52 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 4hhb h ALA 111 CO -0.96 0.41 -2.26 0.72 0.00 0.00 0.00 179.25 177.17 4hhb n HIS 112 N -4.43 0.27 -3.21 0.00 -0.00 -0.94 -4.84 115.22 102.07 4hhb n HIS 112 Ca 0.06 0.08 -0.37 0.00 -0.00 0.00 0.00 57.72 57.49 4hhb n HIS 112 Cb 0.05 -1.05 -0.03 0.00 -0.00 0.00 0.00 29.99 28.97 4hhb n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 4hhb n LEU 113 N -2.96 5.30 0.08 2.41 4.77 -0.44 -4.94 117.00 121.22 4hhb n LEU 113 Ca -0.33 -5.28 -0.09 0.00 -0.03 0.00 0.00 56.01 50.28 4hhb n LEU 113 Cb 1.10 -1.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 4hhb n LEU 113 CO 0.40 1.80 0.31 1.55 -1.33 0.00 0.00 177.39 180.12 4hhb h PRO 114 N 5.09 0.27 0.12 3.23 0.13 -1.84 -1.85 132.00 137.15 4hhb h PRO 114 Ca 0.20 -0.26 -0.34 0.00 -0.87 0.00 0.00 66.00 64.73 4hhb h PRO 114 Cb 0.65 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 4hhb h PRO 114 CO 1.12 0.94 -1.84 0.00 -0.23 0.00 0.00 178.00 177.98 4hhb h ALA 115 N 0.98 0.41 0.00 -0.56 0.00 -1.94 -3.25 119.26 114.91 4hhb h ALA 115 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.55 4hhb h ALA 115 Cb 1.39 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.75 4hhb h ALA 115 CO 0.13 1.28 -1.06 0.39 0.00 0.00 0.00 179.25 179.98 4hhb n GLU 116 N -3.43 1.19 -1.07 0.00 -0.58 -0.77 -4.51 120.64 111.47 4hhb n GLU 116 Ca -0.26 -0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.14 4hhb n GLU 116 Cb 1.05 -1.33 -0.05 0.00 -0.57 0.00 0.00 31.44 30.55 4hhb n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 4hhb n PHE 117 N -1.59 1.71 -2.20 -0.32 7.35 -0.77 -4.75 117.46 116.90 4hhb n PHE 117 Ca 0.01 -2.47 -0.27 0.00 -0.76 0.00 0.00 57.45 53.97 4hhb n PHE 117 Cb 0.31 -2.08 0.14 0.00 0.35 0.00 0.00 39.48 38.20 4hhb n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 4hhb s THR 118 N 2.38 2.08 0.13 -2.13 2.01 -1.26 -4.76 115.64 114.09 4hhb s THR 118 Ca 0.59 -0.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.03 4hhb s THR 118 Cb 0.17 -2.83 -0.10 0.00 0.01 0.00 0.00 72.50 69.74 4hhb s THR 118 CO -0.04 0.00 1.52 -0.65 -0.69 0.00 0.00 174.62 174.76 4hhb h PRO 119 N -1.09 -0.35 -0.53 4.92 0.11 -1.99 0.17 132.00 133.24 4hhb h PRO 119 Ca -0.42 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 4hhb h PRO 119 Cb 1.26 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 4hhb h PRO 119 CO 0.43 -0.23 0.24 0.00 -0.21 0.00 0.00 178.00 178.22 4hhb h ALA 120 N -0.08 1.43 -0.15 -0.75 0.00 -1.96 -1.65 119.26 116.11 4hhb h ALA 120 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 4hhb h ALA 120 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 4hhb h ALA 120 CO -0.59 0.44 0.09 0.28 0.00 0.00 0.00 179.25 179.48 4hhb h VAL 121 N 0.74 1.06 -0.35 0.00 2.07 -1.78 -1.76 116.25 116.23 4hhb h VAL 121 Ca 0.18 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.62 4hhb h VAL 121 Cb 0.10 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 4hhb h VAL 121 CO -0.02 0.06 -0.02 -0.74 0.02 0.00 0.00 177.57 176.87 4hhb h HIS 122 N 0.18 -0.05 -0.41 1.57 6.17 -0.70 0.44 115.15 122.35 4hhb h HIS 122 Ca 0.05 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.03 4hhb h HIS 122 Cb 0.01 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.01 4hhb h HIS 122 CO -0.06 -0.08 -0.28 0.00 0.71 0.00 0.00 177.93 178.22 4hhb h ALA 123 N 1.32 0.73 -0.12 5.26 0.00 -1.09 -1.70 119.26 123.66 4hhb h ALA 123 Ca 0.17 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 4hhb h ALA 123 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 4hhb h ALA 123 CO -0.30 0.66 -0.74 0.77 0.00 0.00 0.00 179.25 179.64 4hhb h SER 124 N 0.74 0.72 -0.22 0.00 0.02 -0.81 -1.80 113.55 112.20 4hhb h SER 124 Ca 0.09 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 4hhb h SER 124 Cb 0.84 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 4hhb h SER 124 CO 0.07 1.23 0.07 -0.07 -1.14 0.00 0.00 176.83 177.00 4hhb h LEU 125 N 0.42 0.38 -0.19 5.07 3.38 -0.70 0.44 115.31 124.10 4hhb h LEU 125 Ca -0.04 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 4hhb h LEU 125 Cb 1.34 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 4hhb h LEU 125 CO 0.14 0.38 -0.20 -0.78 0.09 0.00 0.00 178.44 178.07 4hhb h ASP 126 N 0.41 0.52 -0.34 -0.43 3.58 -1.05 0.48 116.42 119.58 4hhb h ASP 126 Ca 0.10 -0.48 -0.16 0.00 0.42 0.00 0.00 57.03 56.91 4hhb h ASP 126 Cb 0.16 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 4hhb h ASP 126 CO -0.00 0.89 -0.41 0.11 -2.88 0.00 0.00 179.24 176.95 4hhb h LYS 127 N 0.15 0.88 -0.31 0.28 1.57 -1.03 -2.04 116.57 116.08 4hhb h LYS 127 Ca 0.03 -0.49 -0.14 0.00 -1.87 0.00 0.00 60.65 58.18 4hhb h LYS 127 Cb 0.75 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 4hhb h LYS 127 CO 0.05 1.13 -0.35 0.35 -0.57 0.00 0.00 179.45 180.07 4hhb h PHE 128 N 0.68 0.94 0.00 -1.35 3.57 -0.22 0.30 116.94 120.85 4hhb h PHE 128 Ca 0.05 -0.29 -0.06 0.00 3.53 0.00 0.00 57.97 61.19 4hhb h PHE 128 Cb 1.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 4hhb h PHE 128 CO 0.07 1.07 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.84 4hhb h LEU 129 N 0.54 0.00 0.04 0.59 3.38 0.06 0.24 115.31 120.15 4hhb h LEU 129 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 4hhb h LEU 129 Cb 0.93 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 4hhb h LEU 129 CO 0.08 0.31 -0.12 0.00 0.09 0.00 0.00 178.44 178.80 4hhb h ALA 130 N 1.69 -0.17 0.00 1.53 0.00 -1.24 0.84 119.26 121.92 4hhb h ALA 130 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 4hhb h ALA 130 Cb 0.59 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 4hhb h ALA 130 CO 0.04 -0.62 -0.51 0.77 0.00 0.00 0.00 179.25 178.92 4hhb h SER 131 N -0.22 0.00 0.26 0.00 0.02 -0.34 0.62 113.55 113.89 4hhb h SER 131 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 4hhb h SER 131 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 4hhb h SER 131 CO -0.09 0.51 -0.13 0.58 -1.14 0.00 0.00 176.83 176.56 4hhb h VAL 132 N 0.00 0.74 -0.41 2.27 2.07 -0.74 -1.23 116.25 118.96 4hhb h VAL 132 Ca -0.01 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 4hhb h VAL 132 Cb 1.09 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 4hhb h VAL 132 CO 0.07 0.00 -0.15 0.28 0.02 0.00 0.00 177.57 177.79 4hhb h SER 133 N -0.35 -0.52 -0.97 0.57 0.02 -0.67 0.20 113.55 111.82 4hhb h SER 133 Ca -0.04 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 4hhb h SER 133 Cb 0.27 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 4hhb h SER 133 CO 0.06 -0.18 0.64 0.74 -1.14 0.00 0.00 176.83 176.95 4hhb h THR 134 N -0.06 1.24 0.76 -2.27 2.02 -0.63 -1.92 112.91 112.05 4hhb h THR 134 Ca 0.20 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 4hhb h THR 134 Cb 0.37 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 4hhb h THR 134 CO -0.45 0.24 -0.36 0.58 0.37 0.00 0.00 175.52 175.89 4hhb h VAL 135 N 1.31 0.11 -0.04 3.16 2.07 -0.56 -0.28 116.25 122.02 4hhb h VAL 135 Ca 0.36 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.69 4hhb h VAL 135 Cb -0.13 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 4hhb h VAL 135 CO -0.08 0.01 0.32 -0.07 0.02 0.00 0.00 177.57 177.76 4hhb h LEU 136 N -1.20 0.00 -1.24 2.57 3.38 -0.39 -2.35 115.31 116.08 4hhb h LEU 136 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 4hhb h LEU 136 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 4hhb h LEU 136 CO 0.17 0.00 -0.11 0.35 0.09 0.00 0.00 178.44 178.94 4hhb n THR 137 N -3.01 0.00 0.05 0.22 -2.24 -0.74 -4.53 114.28 104.04 4hhb n THR 137 Ca -0.01 -0.45 0.19 0.00 -2.27 0.00 0.00 64.05 61.51 4hhb n THR 137 Cb 0.38 1.23 0.71 0.00 -2.10 0.00 0.00 70.33 70.55 4hhb n THR 137 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 4hhb h SER 138 N 2.18 0.00 -0.50 3.42 0.02 -0.49 -2.94 113.55 115.24 4hhb h SER 138 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 4hhb h SER 138 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 4hhb h SER 138 CO 0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 4hhb n LYS 139 N -4.25 2.94 0.13 3.45 5.02 -1.26 -4.69 118.16 119.49 4hhb n LYS 139 Ca 0.08 -2.40 0.05 0.00 -2.02 0.00 0.00 58.31 54.01 4hhb n LYS 139 Cb 0.54 -1.48 0.49 0.00 -0.02 0.00 0.00 35.03 34.56 4hhb n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 4hhb h TYR 140 N 2.97 0.26 0.00 2.13 0.99 -1.83 -3.46 116.97 118.02 4hhb h TYR 140 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 4hhb h TYR 140 Cb 0.95 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 38.60 4hhb h TYR 140 CO 0.40 0.23 0.00 2.89 -0.00 0.00 0.00 178.16 181.68