#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hhb s HIS 2 N 0.00 3.27 -0.02 6.34 5.65 -1.26 -4.66 115.29 124.61 2hhb s HIS 2 Ca 0.00 -1.50 0.04 0.00 0.25 0.00 0.00 55.06 53.86 2hhb s HIS 2 Cb 0.00 -2.34 -0.03 0.00 -1.18 0.00 0.00 32.58 29.03 2hhb s HIS 2 CO 0.00 -0.75 -0.14 -0.51 -0.65 0.00 0.00 174.74 172.69 2hhb s LEU 3 N 1.38 2.77 0.76 8.88 1.43 -1.26 -5.11 118.68 127.52 2hhb s LEU 3 Ca -0.01 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2hhb s LEU 3 Cb -0.20 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.49 2hhb s LEU 3 CO 0.02 0.31 1.12 0.42 0.23 0.00 0.00 176.35 178.46 2hhb s THR 4 N -0.82 2.97 -0.20 5.49 -4.23 -1.26 -4.76 115.64 112.83 2hhb s THR 4 Ca 0.13 0.37 0.28 0.00 -1.18 0.00 0.00 61.69 61.29 2hhb s THR 4 Cb -0.11 -2.81 0.30 0.00 1.34 0.00 0.00 72.50 71.23 2hhb s THR 4 CO 0.03 -0.35 1.83 1.55 -0.54 0.00 0.00 174.62 177.14 2hhb h PRO 5 N -0.79 0.00 0.00 3.99 0.13 -1.99 -0.58 132.00 132.76 2hhb h PRO 5 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 2hhb h PRO 5 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2hhb h PRO 5 CO 0.50 0.00 -1.07 1.05 -0.23 0.00 0.00 178.00 178.25 2hhb h GLU 6 N 0.00 0.00 -0.32 0.86 9.09 -1.99 -1.03 114.58 121.19 2hhb h GLU 6 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 2hhb h GLU 6 Cb 0.34 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.44 2hhb h GLU 6 CO 0.00 0.39 -0.31 0.93 0.05 0.00 0.00 179.01 180.07 2hhb h GLU 7 N 0.00 0.77 -0.70 1.06 5.08 -1.73 -1.93 114.58 117.13 2hhb h GLU 7 Ca -0.10 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 2hhb h GLU 7 Cb 1.51 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.75 2hhb h GLU 7 CO 0.06 1.03 0.21 -0.22 -1.00 0.00 0.00 179.01 179.09 2hhb h LYS 8 N 0.54 1.09 0.00 2.33 3.64 -1.07 -0.98 116.57 122.12 2hhb h LYS 8 Ca 0.05 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.07 2hhb h LYS 8 Cb 0.88 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2hhb h LYS 8 CO 0.08 0.93 -0.65 0.66 -2.27 0.00 0.00 179.45 178.19 2hhb h SER 9 N 1.05 0.00 -0.73 4.20 4.64 -1.23 -1.41 113.55 120.07 2hhb h SER 9 Ca 0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2hhb h SER 9 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2hhb h SER 9 CO -0.01 0.65 0.40 0.00 -0.87 0.00 0.00 176.83 177.00 2hhb h ALA 10 N 1.35 0.94 -0.17 5.18 0.00 -0.64 -1.70 119.26 124.21 2hhb h ALA 10 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2hhb h ALA 10 Cb 1.36 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2hhb h ALA 10 CO 0.09 0.45 -0.12 0.28 0.00 0.00 0.00 179.25 179.95 2hhb h VAL 11 N 1.01 1.33 -0.47 0.00 2.07 -0.95 -2.86 116.25 116.37 2hhb h VAL 11 Ca 0.26 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2hhb h VAL 11 Cb 0.04 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2hhb h VAL 11 CO -0.04 0.37 0.31 0.74 0.02 0.00 0.00 177.57 178.97 2hhb h THR 12 N 0.05 1.12 -0.41 2.57 2.02 -1.26 -2.02 112.91 114.98 2hhb h THR 12 Ca 0.03 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 2hhb h THR 12 Cb 0.63 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2hhb h THR 12 CO 0.03 0.12 0.08 0.00 0.37 0.00 0.00 175.52 176.12 2hhb h ALA 13 N 1.17 0.54 -0.30 6.16 0.00 -1.30 -2.33 119.26 123.21 2hhb h ALA 13 Ca 0.17 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2hhb h ALA 13 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2hhb h ALA 13 CO -0.04 0.24 -0.29 1.25 0.00 0.00 0.00 179.25 180.41 2hhb h LEU 14 N 0.53 0.64 -0.93 0.00 7.12 -1.42 -2.84 115.31 118.41 2hhb h LEU 14 Ca 0.13 -0.24 -0.06 0.00 0.13 0.00 0.00 57.88 57.83 2hhb h LEU 14 Cb 0.34 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2hhb h LEU 14 CO 0.00 0.90 -0.29 -0.25 -0.13 0.00 0.00 178.44 178.67 2hhb h TRP 15 N 0.53 0.00 0.00 1.25 2.91 -1.07 -1.81 115.95 117.77 2hhb h TRP 15 Ca 0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2hhb h TRP 15 Cb 0.77 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.42 2hhb h TRP 15 CO 0.03 0.29 0.00 0.78 -1.03 0.00 0.00 178.44 178.51 2hhb h GLY 16 N 2.26 0.00 -0.14 2.65 0.00 -1.17 -2.00 103.07 104.67 2hhb h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hhb h GLY 16 CO 0.04 0.00 -0.27 0.28 0.00 0.00 0.00 176.54 176.59 2hhb n LYS 17 N -2.87 1.04 -3.04 4.80 5.02 -0.68 -4.93 118.16 117.49 2hhb n LYS 17 Ca -0.01 -0.68 -0.40 0.00 -2.02 0.00 0.00 58.31 55.20 2hhb n LYS 17 Cb 0.17 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 2hhb n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hhb s VAL 18 N -2.43 5.01 -0.60 -0.18 1.01 -0.76 -4.98 120.40 117.47 2hhb s VAL 18 Ca 0.25 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.36 2hhb s VAL 18 Cb 0.19 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2hhb s VAL 18 CO 0.51 0.18 1.24 0.21 0.00 0.00 0.00 175.10 177.23 2hhb s ASN 19 N 0.95 6.36 0.39 3.32 3.84 -1.26 -4.92 114.94 123.62 2hhb s ASN 19 Ca 0.35 0.05 0.06 0.00 0.21 0.00 0.00 52.86 53.53 2hhb s ASN 19 Cb -0.17 -2.55 0.79 0.00 -0.55 0.00 0.00 41.25 38.77 2hhb s ASN 19 CO 0.15 -1.57 2.01 0.58 -2.79 0.00 0.00 177.10 175.49 2hhb h VAL 20 N 6.17 1.13 -0.02 -5.21 2.07 -1.95 -1.00 116.25 117.44 2hhb h VAL 20 Ca -0.26 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2hhb h VAL 20 Cb 1.06 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2hhb h VAL 20 CO 1.20 0.15 -0.01 0.44 0.02 0.00 0.00 177.57 179.37 2hhb h ASP 21 N 0.55 0.03 -0.08 0.57 5.19 -1.91 -0.78 116.42 119.99 2hhb h ASP 21 Ca 0.14 -0.39 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2hhb h ASP 21 Cb 0.04 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 2hhb h ASP 21 CO -0.02 0.42 0.03 -0.08 -3.12 0.00 0.00 179.24 176.47 2hhb h GLU 22 N -0.35 0.11 -0.35 3.56 4.81 -1.89 -2.20 114.58 118.27 2hhb h GLU 22 Ca 0.00 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2hhb h GLU 22 Cb 0.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2hhb h GLU 22 CO 0.00 0.21 -0.24 0.28 -0.73 0.00 0.00 179.01 178.54 2hhb h VAL 23 N -0.01 1.27 0.13 0.32 2.07 -1.23 -1.89 116.25 116.90 2hhb h VAL 23 Ca 0.03 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2hhb h VAL 23 Cb 0.14 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2hhb h VAL 23 CO -0.00 0.44 -0.06 1.23 0.02 0.00 0.00 177.57 179.20 2hhb h GLY 24 N 0.98 -0.18 1.01 2.17 0.00 -1.11 0.41 103.07 106.35 2hhb h GLY 24 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2hhb h GLY 24 CO 0.06 -0.06 0.58 -1.33 0.00 0.00 0.00 176.54 175.78 2hhb h GLY 25 N -0.19 1.23 0.94 4.60 0.00 -1.38 -1.22 103.07 107.06 2hhb h GLY 25 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2hhb h GLY 25 CO 0.03 0.45 0.16 0.83 0.00 0.00 0.00 176.54 178.01 2hhb h GLU 26 N 1.19 0.52 -0.27 4.80 5.08 -1.12 -1.18 114.58 123.61 2hhb h GLU 26 Ca 0.32 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2hhb h GLU 26 Cb -0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2hhb h GLU 26 CO -0.07 0.49 0.07 0.00 -1.00 0.00 0.00 179.01 178.50 2hhb h ALA 27 N 1.01 0.35 -0.49 3.43 0.00 -0.58 0.04 119.26 123.02 2hhb h ALA 27 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2hhb h ALA 27 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2hhb h ALA 27 CO -0.01 0.00 0.17 1.25 0.00 0.00 0.00 179.25 180.66 2hhb h LEU 28 N 0.26 0.69 -0.34 0.00 5.85 -1.27 -1.32 115.31 119.19 2hhb h LEU 28 Ca 0.08 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2hhb h LEU 28 Cb 0.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2hhb h LEU 28 CO -0.00 0.69 0.21 1.23 -0.34 0.00 0.00 178.44 180.23 2hhb h GLY 29 N 0.65 0.47 1.37 3.75 0.00 -0.98 -2.09 103.07 106.24 2hhb h GLY 29 Ca 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2hhb h GLY 29 CO -0.01 0.15 0.04 3.21 0.00 0.00 0.00 176.54 179.93 2hhb h ARG 30 N 0.43 0.78 -0.71 4.80 3.08 -0.86 -0.95 114.38 120.94 2hhb h ARG 30 Ca 0.13 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2hhb h ARG 30 Cb -0.02 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 2hhb h ARG 30 CO -0.04 0.76 0.45 1.25 -1.07 0.00 0.00 179.97 181.31 2hhb h LEU 31 N 0.73 0.73 -0.76 3.04 5.85 -0.85 0.15 115.31 124.21 2hhb h LEU 31 Ca 0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2hhb h LEU 31 Cb 0.39 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2hhb h LEU 31 CO 0.01 0.50 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.44 2hhb h LEU 32 N 0.87 0.00 0.06 2.25 4.07 -0.76 -1.72 115.31 120.09 2hhb h LEU 32 Ca 0.29 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.08 2hhb h LEU 32 Cb 0.02 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 2hhb h LEU 32 CO -0.11 0.10 -0.81 0.58 -1.08 0.00 0.00 178.44 177.13 2hhb h VAL 33 N 0.00 1.36 0.00 1.22 2.07 -0.45 -3.30 116.25 117.15 2hhb h VAL 33 Ca -0.00 -2.38 -0.21 0.00 0.82 0.00 0.00 66.70 64.93 2hhb h VAL 33 Cb 0.81 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 2hhb h VAL 33 CO 0.01 0.61 -1.04 0.58 0.02 0.00 0.00 177.57 177.75 2hhb h VAL 34 N -0.67 1.60 -2.51 2.57 2.07 -0.72 -3.36 116.25 115.24 2hhb h VAL 34 Ca -0.18 -3.31 -0.60 0.00 0.82 0.00 0.00 66.70 63.43 2hhb h VAL 34 Cb 1.41 2.79 -0.41 0.00 -1.52 0.00 0.00 31.29 33.56 2hhb h VAL 34 CO 0.01 0.91 -0.70 -1.22 0.02 0.00 0.00 177.57 176.59 2hhb n TYR 35 N -3.32 2.38 0.30 1.57 4.01 -0.65 -4.99 117.16 116.45 2hhb n TYR 35 Ca -0.01 -4.02 0.15 0.00 -0.16 0.00 0.00 57.90 53.85 2hhb n TYR 35 Cb 0.94 -0.45 0.68 0.00 -0.31 0.00 0.00 39.34 40.20 2hhb n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2hhb h PRO 36 N 4.77 0.00 0.00 -0.72 0.13 -1.72 -0.79 132.00 133.67 2hhb h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2hhb h PRO 36 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2hhb h PRO 36 CO 0.68 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.56 2hhb h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.30 115.95 114.39 2hhb h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2hhb h TRP 37 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 2hhb h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2hhb h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.45 -2.35 112.91 110.58 2hhb h THR 38 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2hhb h THR 38 Cb 0.32 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2hhb h THR 38 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 2hhb h GLN 39 N 0.00 0.00 -1.47 4.72 4.20 -1.43 -2.97 115.11 118.16 2hhb h GLN 39 Ca 0.00 0.00 0.47 0.00 0.06 0.00 0.00 58.65 59.18 2hhb h GLN 39 Cb 0.35 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.01 2hhb h GLN 39 CO 0.00 0.00 0.98 -0.09 -0.67 0.00 0.00 178.83 179.05 2hhb h ARG 40 N 0.00 0.05 -0.04 1.46 2.43 -1.63 -0.01 114.38 116.63 2hhb h ARG 40 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hhb h ARG 40 Cb 0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2hhb h ARG 40 CO 0.00 0.03 0.00 1.19 -1.51 0.00 0.00 179.97 179.68 2hhb n PHE 41 N -4.53 0.03 -2.41 2.20 3.01 -1.12 -4.41 117.46 110.23 2hhb n PHE 41 Ca 0.39 -0.01 -0.04 0.00 1.01 0.00 0.00 57.45 58.80 2hhb n PHE 41 Cb 1.58 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 41.10 2hhb n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2hhb n PHE 42 N 0.57 1.11 1.12 1.38 3.01 -0.02 -4.84 117.46 119.80 2hhb n PHE 42 Ca 0.17 -1.67 0.13 0.00 1.01 0.00 0.00 57.45 57.09 2hhb n PHE 42 Cb 0.43 -0.24 0.63 0.00 -0.01 0.00 0.00 39.48 40.30 2hhb n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2hhb n GLU 43 N -0.43 0.22 0.00 -1.08 0.28 -1.25 -1.38 120.64 117.00 2hhb n GLU 43 Ca 0.17 0.04 0.09 0.00 -0.16 0.00 0.00 57.16 57.30 2hhb n GLU 43 Cb 0.91 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 32.78 2hhb n GLU 43 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2hhb n SER 44 N -1.38 0.00 -0.39 -1.84 2.88 -1.26 -4.15 113.62 107.48 2hhb n SER 44 Ca 0.10 -0.12 0.12 0.00 -1.33 0.00 0.00 58.87 57.64 2hhb n SER 44 Cb 0.26 -0.22 0.19 0.00 -0.75 0.00 0.00 64.21 63.68 2hhb n SER 44 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2hhb n PHE 45 N -1.22 0.00 0.00 0.66 0.99 -0.48 -5.04 117.46 112.36 2hhb n PHE 45 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 2hhb n PHE 45 Cb 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.56 2hhb n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hhb n GLY 46 N 1.38 0.16 3.62 1.37 0.00 -1.26 -4.71 105.19 105.75 2hhb n GLY 46 Ca 0.11 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 2hhb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hhb s ASP 47 N -4.00 6.59 -0.11 1.61 3.68 -1.26 -4.89 116.67 118.29 2hhb s ASP 47 Ca 0.00 0.66 0.15 0.00 2.13 0.00 0.00 52.55 55.49 2hhb s ASP 47 Cb 0.00 -2.36 0.25 0.00 -1.45 0.00 0.00 42.92 39.36 2hhb s ASP 47 CO 0.00 -0.45 1.13 0.18 0.13 0.00 0.00 175.17 176.15 2hhb n LEU 48 N 5.86 1.86 0.05 -1.34 4.77 -1.26 -4.14 117.00 122.80 2hhb n LEU 48 Ca 0.01 -2.70 -0.11 0.00 -0.03 0.00 0.00 56.01 53.18 2hhb n LEU 48 Cb 0.49 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 2hhb n LEU 48 CO 0.45 0.67 -0.11 0.77 -1.33 0.00 0.00 177.39 177.84 2hhb h SER 49 N 0.11 0.14 -2.96 -1.43 4.64 -1.92 -3.44 113.55 108.69 2hhb h SER 49 Ca -0.01 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.62 2hhb h SER 49 Cb 1.11 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.00 2hhb h SER 49 CO 0.00 1.15 -0.75 0.42 -0.87 0.00 0.00 176.83 176.77 2hhb s THR 50 N -2.66 2.01 0.33 2.95 -4.23 -1.26 -5.03 115.64 107.75 2hhb s THR 50 Ca -0.03 -2.21 0.11 0.00 -1.18 0.00 0.00 61.69 58.38 2hhb s THR 50 Cb 0.09 -2.09 0.33 0.00 1.34 0.00 0.00 72.50 72.16 2hhb s THR 50 CO 0.84 -0.46 1.73 -0.65 -0.54 0.00 0.00 174.62 175.53 2hhb h PRO 51 N 2.62 0.52 0.01 3.99 0.11 -1.98 0.29 132.00 137.56 2hhb h PRO 51 Ca -0.40 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.46 2hhb h PRO 51 Cb 1.23 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2hhb h PRO 51 CO 0.59 0.34 -0.94 -0.44 -0.21 0.00 0.00 178.00 177.34 2hhb h ASP 52 N 0.54 0.45 -0.12 -2.05 3.32 -1.98 -1.44 116.42 115.13 2hhb h ASP 52 Ca 0.64 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2hhb h ASP 52 Cb 1.31 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 2hhb h ASP 52 CO -0.45 1.17 0.02 0.00 -1.72 0.00 0.00 179.24 178.26 2hhb h ALA 53 N 0.80 0.16 -0.46 3.45 0.00 -1.69 -1.67 119.26 119.86 2hhb h ALA 53 Ca -0.07 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2hhb h ALA 53 Cb 1.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2hhb h ALA 53 CO 0.16 -0.18 0.27 0.28 0.00 0.00 0.00 179.25 179.78 2hhb h VAL 54 N -0.03 1.05 0.00 0.00 2.07 -0.87 -1.55 116.25 116.92 2hhb h VAL 54 Ca 0.04 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2hhb h VAL 54 Cb 0.31 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2hhb h VAL 54 CO 0.00 0.10 -0.49 0.24 0.02 0.00 0.00 177.57 177.44 2hhb h MET 55 N 0.54 0.00 -0.02 1.57 2.07 -1.22 -2.67 114.93 115.21 2hhb h MET 55 Ca 0.18 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.81 2hhb h MET 55 Cb 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 2hhb h MET 55 CO -0.08 0.49 -0.12 0.41 1.07 0.00 0.00 176.91 178.68 2hhb n GLY 56 N -0.12 0.28 3.67 8.32 0.00 -0.63 -4.88 105.19 111.83 2hhb n GLY 56 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2hhb n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hhb s ASN 57 N -2.15 6.63 0.36 1.61 3.84 -0.59 -4.89 114.94 119.74 2hhb s ASN 57 Ca 0.29 2.38 0.14 0.00 0.21 0.00 0.00 52.86 55.87 2hhb s ASN 57 Cb 0.20 -2.55 0.67 0.00 -0.55 0.00 0.00 41.25 39.02 2hhb s ASN 57 CO 0.39 -0.91 1.78 1.55 -2.79 0.00 0.00 177.10 177.12 2hhb h PRO 58 N 9.01 0.00 0.00 0.43 0.13 -1.90 -2.09 132.00 137.57 2hhb h PRO 58 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 2hhb h PRO 58 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2hhb h PRO 58 CO 0.94 0.42 -0.61 0.87 -0.23 0.00 0.00 178.00 179.38 2hhb h LYS 59 N 0.00 0.00 -0.20 0.86 1.57 -1.90 -0.74 116.57 116.16 2hhb h LYS 59 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2hhb h LYS 59 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2hhb h LYS 59 CO 0.05 0.61 0.04 0.28 -0.57 0.00 0.00 179.45 179.86 2hhb h VAL 60 N 0.00 1.22 -0.52 0.50 2.07 -1.78 -1.44 116.25 116.29 2hhb h VAL 60 Ca -0.01 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2hhb h VAL 60 Cb 1.09 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2hhb h VAL 60 CO 0.08 0.22 0.32 0.11 0.02 0.00 0.00 177.57 178.32 2hhb h LYS 61 N 0.14 0.62 -0.66 1.57 1.57 -1.19 0.22 116.57 118.83 2hhb h LYS 61 Ca 0.06 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2hhb h LYS 61 Cb 0.30 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2hhb h LYS 61 CO 0.00 0.41 0.21 0.00 -0.57 0.00 0.00 179.45 179.50 2hhb h ALA 62 N 1.23 0.87 0.05 3.86 0.00 -1.09 -1.56 119.26 122.61 2hhb h ALA 62 Ca 0.21 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2hhb h ALA 62 Cb 0.01 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2hhb h ALA 62 CO -0.09 0.54 -1.07 1.25 0.00 0.00 0.00 179.25 179.87 2hhb h HIS 63 N 0.96 0.75 -0.87 0.00 -0.00 -1.02 -2.34 115.15 112.63 2hhb h HIS 63 Ca 0.21 -0.44 0.17 0.00 -0.00 0.00 0.00 60.37 60.32 2hhb h HIS 63 Cb 0.29 -0.07 -0.10 0.00 -0.00 0.00 0.00 27.41 27.52 2hhb h HIS 63 CO 0.02 1.28 0.42 0.78 -0.00 0.00 0.00 177.93 180.44 2hhb h GLY 64 N 0.96 1.44 1.50 5.26 0.00 -0.35 -0.25 103.07 111.63 2hhb h GLY 64 Ca -0.12 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 2hhb h GLY 64 CO 0.19 -0.12 -0.43 1.70 0.00 0.00 0.00 176.54 177.89 2hhb h LYS 65 N 0.54 0.55 -0.24 4.80 3.64 -0.99 -1.87 116.57 123.01 2hhb h LYS 65 Ca 0.50 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2hhb h LYS 65 Cb 0.80 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2hhb h LYS 65 CO -0.42 0.87 0.11 -0.22 -2.27 0.00 0.00 179.45 177.53 2hhb h LYS 66 N 0.45 0.35 -0.35 1.90 3.64 -0.78 -0.86 116.57 120.91 2hhb h LYS 66 Ca 0.03 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2hhb h LYS 66 Cb 0.93 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2hhb h LYS 66 CO 0.08 0.36 -0.18 0.28 -2.27 0.00 0.00 179.45 177.72 2hhb h VAL 67 N 0.26 1.29 0.00 2.00 2.07 -0.99 -2.40 116.25 118.47 2hhb h VAL 67 Ca 0.08 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 2hhb h VAL 67 Cb 0.13 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2hhb h VAL 67 CO -0.01 0.43 -0.42 -0.07 0.02 0.00 0.00 177.57 177.51 2hhb h LEU 68 N 0.52 0.00 -0.39 2.57 3.38 -1.29 -0.57 115.31 119.52 2hhb h LEU 68 Ca 0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2hhb h LEU 68 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2hhb h LEU 68 CO 0.05 0.42 0.20 1.23 0.09 0.00 0.00 178.44 180.43 2hhb h GLY 69 N 2.77 0.54 1.64 0.83 0.00 -1.04 0.44 103.07 108.25 2hhb h GLY 69 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 2hhb h GLY 69 CO 0.05 0.10 -0.45 0.00 0.00 0.00 0.00 176.54 176.24 2hhb h ALA 70 N 1.21 0.93 -0.85 3.60 0.00 -1.01 -1.62 119.26 121.52 2hhb h ALA 70 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2hhb h ALA 70 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2hhb h ALA 70 CO -0.12 0.64 0.44 0.35 0.00 0.00 0.00 179.25 180.56 2hhb h PHE 71 N 0.32 1.21 -0.47 0.00 3.57 -0.77 -2.54 116.94 118.26 2hhb h PHE 71 Ca 0.02 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2hhb h PHE 71 Cb 0.92 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2hhb h PHE 71 CO 0.03 0.86 0.27 0.77 -2.23 0.00 0.00 178.31 178.00 2hhb h SER 72 N 1.21 0.58 0.02 0.41 0.02 0.63 -1.34 113.55 115.09 2hhb h SER 72 Ca 0.30 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2hhb h SER 72 Cb 0.08 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2hhb h SER 72 CO -0.04 0.49 -0.01 0.44 -1.14 0.00 0.00 176.83 176.56 2hhb h ASP 73 N 0.62 0.00 1.85 3.07 3.32 -0.99 -0.40 116.42 123.89 2hhb h ASP 73 Ca 0.17 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2hhb h ASP 73 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2hhb h ASP 73 CO -0.03 0.01 -0.01 1.23 -1.72 0.00 0.00 179.24 178.73 2hhb h GLY 74 N 0.06 0.00 2.00 2.75 0.00 -0.85 -2.80 103.07 104.24 2hhb h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hhb h GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 2hhb h LEU 75 N 0.00 0.00 -0.17 3.11 4.07 -0.81 -1.50 115.31 120.01 2hhb h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2hhb h LEU 75 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2hhb h LEU 75 CO 0.00 0.00 -0.24 0.00 -1.08 0.00 0.00 178.44 177.13 2hhb n ALA 76 N -1.86 2.98 -2.71 1.53 0.00 -1.06 -4.07 120.51 115.33 2hhb n ALA 76 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 2hhb n ALA 76 Cb 0.26 -1.26 0.04 0.00 0.00 0.00 0.00 19.45 18.49 2hhb n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hhb n HIS 77 N -1.15 1.06 0.33 0.00 8.25 -0.58 -4.91 115.22 118.22 2hhb n HIS 77 Ca 0.10 -2.57 0.21 0.00 -0.26 0.00 0.00 57.72 55.20 2hhb n HIS 77 Cb 0.32 -0.27 1.12 0.00 1.12 0.00 0.00 29.99 32.28 2hhb n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2hhb h LEU 78 N 2.84 0.00 -0.03 2.41 5.85 -1.66 0.20 115.31 124.92 2hhb h LEU 78 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2hhb h LEU 78 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2hhb h LEU 78 CO 0.39 0.00 -0.23 0.47 -0.34 0.00 0.00 178.44 178.72 2hhb n ASP 79 N -3.12 0.28 -2.92 1.25 10.43 -1.26 -0.80 116.55 120.41 2hhb n ASP 79 Ca -0.03 0.04 -0.14 0.00 2.57 0.00 0.00 54.79 57.23 2hhb n ASP 79 Cb 0.14 -0.12 0.01 0.00 1.84 0.00 0.00 41.12 42.99 2hhb n ASP 79 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2hhb n ASN 80 N -1.43 -1.55 -0.24 -2.24 0.23 0.70 -4.58 115.26 106.15 2hhb n ASN 80 Ca 0.07 -3.15 -0.05 0.00 -0.53 0.00 0.00 54.58 50.92 2hhb n ASN 80 Cb 0.33 0.88 0.06 0.00 -2.08 0.00 0.00 39.78 38.97 2hhb n ASN 80 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2hhb h LEU 81 N 3.76 0.74 -0.53 -4.53 3.38 -1.73 -1.58 115.31 114.83 2hhb h LEU 81 Ca -0.05 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2hhb h LEU 81 Cb 0.99 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 2hhb h LEU 81 CO 0.36 0.53 0.15 0.11 0.09 0.00 0.00 178.44 179.67 2hhb h LYS 82 N 0.88 0.29 -0.14 1.13 1.57 -1.91 -1.08 116.57 117.31 2hhb h LYS 82 Ca 0.26 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.86 2hhb h LYS 82 Cb -0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2hhb h LYS 82 CO -0.07 0.19 -0.58 0.78 -0.57 0.00 0.00 179.45 179.20 2hhb h GLY 83 N 0.30 0.50 1.23 3.86 0.00 -1.87 -1.94 103.07 105.16 2hhb h GLY 83 Ca 0.26 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 2hhb h GLY 83 CO -0.31 0.54 0.17 -0.84 0.00 0.00 0.00 176.54 176.11 2hhb h THR 84 N 0.35 1.24 -0.32 4.70 2.02 -0.75 -3.21 112.91 116.94 2hhb h THR 84 Ca 0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2hhb h THR 84 Cb 1.11 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2hhb h THR 84 CO 0.10 0.33 0.00 0.49 0.37 0.00 0.00 175.52 176.81 2hhb n PHE 85 N -4.26 0.40 -0.25 3.16 3.01 -0.46 -4.62 117.46 114.44 2hhb n PHE 85 Ca 0.05 -0.23 0.02 0.00 1.01 0.00 0.00 57.45 58.29 2hhb n PHE 85 Cb 0.23 -0.00 0.15 0.00 -0.01 0.00 0.00 39.48 39.84 2hhb n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hhb h ALA 86 N 3.91 0.99 -0.05 4.37 0.00 -1.36 0.31 119.26 127.44 2hhb h ALA 86 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2hhb h ALA 86 Cb 0.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2hhb h ALA 86 CO 0.00 -0.08 0.01 1.15 0.00 0.00 0.00 179.25 180.32 2hhb h THR 87 N 0.56 1.21 -0.31 0.00 2.02 -1.84 -1.60 112.91 112.95 2hhb h THR 87 Ca 0.36 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 2hhb h THR 87 Cb 0.42 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2hhb h THR 87 CO -0.29 0.17 0.03 -0.07 0.37 0.00 0.00 175.52 175.73 2hhb h LEU 88 N -0.17 0.42 0.15 2.58 3.38 -1.82 -0.94 115.31 118.92 2hhb h LEU 88 Ca 0.01 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2hhb h LEU 88 Cb 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2hhb h LEU 88 CO 0.00 0.47 -0.17 -1.28 0.09 0.00 0.00 178.44 177.55 2hhb h SER 89 N 0.45 -0.46 -0.98 -0.43 0.87 0.00 0.12 113.55 113.12 2hhb h SER 89 Ca 0.10 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2hhb h SER 89 Cb 0.25 0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 2hhb h SER 89 CO 0.00 -0.25 0.65 -0.08 -0.53 0.00 0.00 176.83 176.62 2hhb h GLU 90 N -0.36 1.26 -0.40 2.24 4.81 -1.12 -1.81 114.58 119.21 2hhb h GLU 90 Ca 0.01 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2hhb h GLU 90 Cb 0.35 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2hhb h GLU 90 CO -0.06 0.83 0.17 1.25 -0.73 0.00 0.00 179.01 180.47 2hhb h LEU 91 N 1.29 0.54 -1.26 1.64 5.85 -0.81 0.25 115.31 122.81 2hhb h LEU 91 Ca 0.37 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 2hhb h LEU 91 Cb -0.09 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2hhb h LEU 91 CO -0.10 0.55 -0.27 0.45 -0.34 0.00 0.00 178.44 178.73 2hhb h HIS 92 N 0.49 0.00 0.10 1.25 3.86 -0.72 -0.48 115.15 119.65 2hhb h HIS 92 Ca 0.13 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2hhb h HIS 92 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2hhb h HIS 92 CO -0.00 0.27 -0.05 0.00 0.86 0.00 0.00 177.93 179.01 2hhb h ASP 94 N -0.95 0.58 0.00 0.00 3.32 -0.97 -2.95 116.42 115.46 2hhb h ASP 94 Ca -0.01 -0.53 -0.37 0.00 0.02 0.00 0.00 57.03 56.13 2hhb h ASP 94 Cb 0.10 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 2hhb h ASP 94 CO 0.02 1.36 -2.42 0.29 -1.72 0.00 0.00 179.24 176.78 2hhb n LYS 95 N -3.69 0.63 -0.01 3.56 4.76 -0.57 -4.69 118.16 118.16 2hhb n LYS 95 Ca -0.09 0.14 0.06 0.00 -2.87 0.00 0.00 58.31 55.55 2hhb n LYS 95 Cb 0.93 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 32.49 2hhb n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hhb n LEU 96 N -3.21 0.21 -3.18 -0.35 4.77 -0.29 -4.99 117.00 109.95 2hhb n LEU 96 Ca -0.44 0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.43 2hhb n LEU 96 Cb 0.98 0.10 0.07 0.00 -2.33 0.00 0.00 43.42 42.24 2hhb n LEU 96 CO 0.26 0.09 0.19 1.41 -1.33 0.00 0.00 177.39 178.01 2hhb n HIS 97 N -2.48 -2.40 -3.23 -1.77 8.25 -0.04 -4.96 115.22 108.58 2hhb n HIS 97 Ca -0.10 0.87 -0.40 0.00 -0.26 0.00 0.00 57.72 57.83 2hhb n HIS 97 Cb 0.71 -4.55 -0.08 0.00 1.12 0.00 0.00 29.99 27.19 2hhb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2hhb s VAL 98 N -3.29 5.05 0.02 1.59 1.01 -0.56 -5.02 120.40 119.20 2hhb s VAL 98 Ca 0.41 0.73 -0.34 0.00 0.00 0.00 0.00 61.98 62.79 2hhb s VAL 98 Cb -0.18 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 2hhb s VAL 98 CO 0.63 -0.00 1.77 -0.67 0.00 0.00 0.00 175.10 176.84 2hhb n ASP 99 N 5.61 3.38 0.16 3.32 4.64 -1.26 -4.78 116.55 127.62 2hhb n ASP 99 Ca -0.04 1.01 0.11 0.00 -1.38 0.00 0.00 54.79 54.49 2hhb n ASP 99 Cb 0.50 -1.41 0.59 0.00 -1.04 0.00 0.00 41.12 39.76 2hhb n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2hhb n PRO 100 N 5.45 0.15 0.15 -0.67 -0.04 -1.26 -1.14 135.00 137.64 2hhb n PRO 100 Ca 0.20 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.41 2hhb n PRO 100 Cb 0.30 -1.96 0.66 0.00 -0.04 0.00 0.00 33.50 32.46 2hhb n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2hhb h GLU 101 N 0.00 0.01 -0.25 0.54 4.57 -1.99 -1.09 114.58 116.37 2hhb h GLU 101 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2hhb h GLU 101 Cb 0.05 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2hhb h GLU 101 CO 0.00 0.01 0.16 -0.91 -1.18 0.00 0.00 179.01 177.09 2hhb h ASN 102 N 0.01 0.29 -0.72 1.04 2.35 -1.50 -2.04 115.58 115.00 2hhb h ASN 102 Ca 0.11 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2hhb h ASN 102 Cb 0.43 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2hhb h ASN 102 CO -0.00 0.21 0.34 -0.26 -1.65 0.00 0.00 177.43 176.07 2hhb h PHE 103 N 0.34 1.06 -0.28 1.19 0.04 -1.38 -1.18 116.94 116.73 2hhb h PHE 103 Ca 0.09 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 2hhb h PHE 103 Cb -0.03 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.78 2hhb h PHE 103 CO 0.00 0.78 -0.02 0.00 -0.60 0.00 0.00 178.31 178.47 2hhb h ARG 104 N 1.05 0.51 -0.44 1.51 3.08 -1.44 -1.63 114.38 117.03 2hhb h ARG 104 Ca 0.25 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2hhb h ARG 104 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2hhb h ARG 104 CO -0.03 0.68 0.24 -0.07 -1.07 0.00 0.00 179.97 179.73 2hhb h LEU 105 N 0.29 0.54 -0.99 3.04 3.38 -1.25 -2.09 115.31 118.23 2hhb h LEU 105 Ca 0.08 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2hhb h LEU 105 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hhb h LEU 105 CO 0.02 0.47 -0.23 0.25 0.09 0.00 0.00 178.44 179.03 2hhb h LEU 106 N 0.57 0.45 -0.68 1.67 5.85 -1.13 -0.76 115.31 121.28 2hhb h LEU 106 Ca 0.15 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2hhb h LEU 106 Cb 0.04 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2hhb h LEU 106 CO -0.03 0.69 0.40 1.23 -0.34 0.00 0.00 178.44 180.40 2hhb h GLY 107 N 1.00 0.99 1.31 3.75 0.00 -0.92 0.25 103.07 109.45 2hhb h GLY 107 Ca 0.06 -0.29 -0.24 0.00 0.00 0.00 0.00 47.33 46.87 2hhb h GLY 107 CO 0.05 0.21 -0.90 3.43 0.00 0.00 0.00 176.54 179.33 2hhb h ASN 108 N 0.76 0.81 -0.74 0.19 2.35 -0.74 -1.83 115.58 116.38 2hhb h ASN 108 Ca 0.29 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.42 2hhb h ASN 108 Cb 0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2hhb h ASN 108 CO -0.15 1.39 0.35 0.58 -1.65 0.00 0.00 177.43 177.95 2hhb h VAL 109 N 0.40 1.24 -0.61 2.81 2.07 -0.81 -1.72 116.25 119.64 2hhb h VAL 109 Ca -0.08 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2hhb h VAL 109 Cb 1.53 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2hhb h VAL 109 CO 0.17 0.29 0.37 0.25 0.02 0.00 0.00 177.57 178.67 2hhb h LEU 110 N 1.04 0.72 -0.79 2.57 5.85 -0.27 -1.08 115.31 123.34 2hhb h LEU 110 Ca 0.25 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2hhb h LEU 110 Cb 0.12 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2hhb h LEU 110 CO -0.03 0.55 -0.01 0.58 -0.34 0.00 0.00 178.44 179.19 2hhb h VAL 111 N 0.83 1.25 -0.82 1.05 2.07 -0.77 -0.99 116.25 118.87 2hhb h VAL 111 Ca 0.22 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2hhb h VAL 111 Cb -0.04 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 2hhb h VAL 111 CO -0.04 0.38 0.51 0.00 0.02 0.00 0.00 177.57 178.44 2hhb h VAL 113 N 0.94 1.33 -0.34 0.00 2.07 -0.81 -0.38 116.25 119.06 2hhb h VAL 113 Ca 0.35 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2hhb h VAL 113 Cb 0.14 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2hhb h VAL 113 CO -0.16 0.51 0.22 -0.07 0.02 0.00 0.00 177.57 178.09 2hhb h LEU 114 N 0.26 0.40 -0.48 2.57 3.38 -1.06 0.28 115.31 120.67 2hhb h LEU 114 Ca -0.00 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2hhb h LEU 114 Cb 1.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2hhb h LEU 114 CO 0.09 0.31 0.30 0.00 0.09 0.00 0.00 178.44 179.23 2hhb h ALA 115 N 1.10 0.61 -0.77 1.53 0.00 -1.09 0.11 119.26 120.75 2hhb h ALA 115 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2hhb h ALA 115 Cb -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2hhb h ALA 115 CO -0.03 0.00 0.42 1.25 0.00 0.00 0.00 179.25 180.90 2hhb h HIS 116 N 0.59 1.05 -0.02 0.00 -0.00 -0.69 -0.09 115.15 115.99 2hhb h HIS 116 Ca 0.19 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.46 2hhb h HIS 116 Cb -0.01 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.07 2hhb h HIS 116 CO -0.06 0.74 -0.27 1.25 -0.00 0.00 0.00 177.93 179.59 2hhb h HIS 117 N 1.06 0.32 0.00 5.26 6.17 -0.70 -3.36 115.15 123.91 2hhb h HIS 117 Ca 0.27 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 61.19 2hhb h HIS 117 Cb 0.03 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 29.92 2hhb h HIS 117 CO 0.00 0.92 -0.76 1.19 0.71 0.00 0.00 177.93 179.99 2hhb n PHE 118 N -4.49 0.03 -2.78 5.26 3.01 0.00 -5.04 117.46 113.46 2hhb n PHE 118 Ca -0.09 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2hhb n PHE 118 Cb 0.49 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 2hhb n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2hhb n GLY 119 N 1.48 3.28 0.04 1.37 0.00 -0.05 -2.36 105.19 108.96 2hhb n GLY 119 Ca 0.04 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.90 2hhb n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hhb n LYS 120 N 14.00 0.06 0.23 1.61 2.85 -1.26 -0.77 118.16 134.88 2hhb n LYS 120 Ca 0.00 0.33 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 2hhb n LYS 120 Cb 0.00 -1.61 0.48 0.00 -0.65 0.00 0.00 35.03 33.25 2hhb n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2hhb h GLU 121 N 0.00 0.00 -3.93 -1.58 4.81 -1.86 -3.33 114.58 108.69 2hhb h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 2hhb h GLU 121 Cb 0.25 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.47 2hhb h GLU 121 CO 0.00 0.16 1.86 0.34 -0.73 0.00 0.00 179.01 180.64 2hhb n PHE 122 N -3.29 3.59 -1.56 0.92 7.35 0.05 -4.94 117.46 119.58 2hhb n PHE 122 Ca 0.01 -2.97 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 2hhb n PHE 122 Cb 0.41 -2.04 0.09 0.00 0.35 0.00 0.00 39.48 38.29 2hhb n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2hhb s THR 123 N 0.86 2.98 0.24 -2.13 -4.23 -1.25 -4.69 115.64 107.42 2hhb s THR 123 Ca 0.41 0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 2hhb s THR 123 Cb 0.06 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 71.08 2hhb s THR 123 CO 0.00 -0.42 1.66 -0.65 -0.54 0.00 0.00 174.62 174.68 2hhb h PRO 124 N -1.12 0.18 -0.32 3.99 0.11 -1.93 0.11 132.00 133.02 2hhb h PRO 124 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2hhb h PRO 124 Cb 1.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2hhb h PRO 124 CO 0.60 0.12 -0.08 -1.35 -0.21 0.00 0.00 178.00 177.08 2hhb h PRO 125 N 0.19 0.52 -0.35 1.05 0.11 -1.99 -1.24 132.00 130.29 2hhb h PRO 125 Ca 0.41 -0.14 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 2hhb h PRO 125 Cb 0.72 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2hhb h PRO 125 CO -0.57 0.61 -0.21 0.28 -0.21 0.00 0.00 178.00 177.89 2hhb h VAL 126 N 0.49 1.29 -0.53 3.15 2.07 -1.36 -2.33 116.25 119.02 2hhb h VAL 126 Ca 0.10 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.33 2hhb h VAL 126 Cb 0.44 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2hhb h VAL 126 CO 0.02 0.44 0.23 -0.61 0.02 0.00 0.00 177.57 177.67 2hhb h GLN 127 N 0.55 0.43 -0.93 1.57 4.15 -0.61 -0.66 115.11 119.61 2hhb h GLN 127 Ca 0.07 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.55 2hhb h GLN 127 Cb 0.76 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.29 2hhb h GLN 127 CO 0.06 0.28 0.58 0.00 -1.93 0.00 0.00 178.83 177.82 2hhb h ALA 128 N 1.32 1.32 -0.22 3.38 0.00 -1.01 0.31 119.26 124.36 2hhb h ALA 128 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2hhb h ALA 128 Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hhb h ALA 128 CO -0.22 0.27 -0.19 0.00 0.00 0.00 0.00 179.25 179.11 2hhb h ALA 129 N 1.46 0.31 -0.09 0.00 0.00 -0.84 -2.32 119.26 117.79 2hhb h ALA 129 Ca 0.43 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2hhb h ALA 129 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2hhb h ALA 129 CO -0.21 0.24 -0.11 1.88 0.00 0.00 0.00 179.25 181.05 2hhb h TYR 130 N 0.20 0.14 -0.23 0.00 0.05 -0.26 -2.30 116.97 114.58 2hhb h TYR 130 Ca 0.04 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 2hhb h TYR 130 Cb 0.73 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 2hhb h TYR 130 CO 0.08 0.25 -0.43 1.96 -1.05 0.00 0.00 178.16 178.97 2hhb h GLN 131 N 0.14 0.56 -0.38 4.88 1.08 -0.06 -0.17 115.11 121.15 2hhb h GLN 131 Ca 0.03 -0.29 -0.11 0.00 -1.45 0.00 0.00 58.65 56.83 2hhb h GLN 131 Cb 0.29 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2hhb h GLN 131 CO 0.02 0.88 -0.21 0.87 -0.95 0.00 0.00 178.83 179.44 2hhb h LYS 132 N 0.46 0.75 -0.03 1.46 1.57 -1.03 -2.38 116.57 117.37 2hhb h LYS 132 Ca 0.04 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2hhb h LYS 132 Cb 0.93 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2hhb h LYS 132 CO 0.08 0.89 -0.02 0.28 -0.57 0.00 0.00 179.45 180.12 2hhb h VAL 133 N 0.66 1.35 -0.23 0.50 2.07 -0.93 -1.32 116.25 118.35 2hhb h VAL 133 Ca 0.10 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 2hhb h VAL 133 Cb 0.70 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2hhb h VAL 133 CO 0.05 0.28 -0.21 -0.37 0.02 0.00 0.00 177.57 177.35 2hhb h VAL 134 N -0.35 1.24 -0.89 2.57 -1.51 -1.00 0.78 116.25 117.09 2hhb h VAL 134 Ca 0.01 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.34 2hhb h VAL 134 Cb 0.47 1.30 -0.04 0.00 -2.13 0.00 0.00 31.29 30.88 2hhb h VAL 134 CO 0.01 0.36 0.52 0.00 -1.23 0.00 0.00 177.57 177.22 2hhb h ALA 135 N 1.42 1.14 -0.19 5.19 0.00 -1.39 0.60 119.26 126.03 2hhb h ALA 135 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hhb h ALA 135 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2hhb h ALA 135 CO 0.04 0.61 0.09 0.78 0.00 0.00 0.00 179.25 180.77 2hhb h GLY 136 N 1.23 0.29 0.94 0.00 0.00 -0.28 -0.66 103.07 104.60 2hhb h GLY 136 Ca 0.32 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 2hhb h GLY 136 CO -0.06 0.14 0.07 -2.08 0.00 0.00 0.00 176.54 174.60 2hhb h VAL 137 N 0.18 1.24 -0.68 4.60 2.07 -0.58 0.15 116.25 123.23 2hhb h VAL 137 Ca 0.07 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2hhb h VAL 137 Cb 0.11 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2hhb h VAL 137 CO -0.01 0.30 0.43 0.00 0.02 0.00 0.00 177.57 178.31 2hhb h ALA 138 N 0.93 0.87 -0.44 1.67 0.00 -0.76 -0.52 119.26 121.00 2hhb h ALA 138 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2hhb h ALA 138 Cb 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2hhb h ALA 138 CO 0.01 0.33 0.19 -0.97 0.00 0.00 0.00 179.25 178.80 2hhb h ASN 139 N 0.93 0.60 -0.69 0.00 -0.73 -0.80 -1.82 115.58 113.06 2hhb h ASN 139 Ca 0.25 -0.16 0.05 0.00 1.87 0.00 0.00 56.30 58.31 2hhb h ASN 139 Cb -0.06 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.33 2hhb h ASN 139 CO -0.05 0.59 0.41 0.00 -0.37 0.00 0.00 177.43 178.01 2hhb h ALA 140 N 1.03 0.92 0.00 1.57 0.00 -0.20 -2.23 119.26 120.36 2hhb h ALA 140 Ca 0.15 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2hhb h ALA 140 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hhb h ALA 140 CO -0.01 0.14 -0.23 -0.07 0.00 0.00 0.00 179.25 179.07 2hhb h LEU 141 N 0.78 0.00 -0.24 0.00 3.38 -0.80 -3.07 115.31 115.36 2hhb h LEU 141 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2hhb h LEU 141 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2hhb h LEU 141 CO -0.15 0.23 -0.38 0.00 0.09 0.00 0.00 178.44 178.23 2hhb n ALA 142 N -2.20 3.32 0.04 1.53 0.00 -0.71 -4.46 120.51 118.02 2hhb n ALA 142 Ca 0.01 -0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.09 2hhb n ALA 142 Cb 0.47 -1.13 0.37 0.00 0.00 0.00 0.00 19.45 19.16 2hhb n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hhb h HIS 143 N 0.58 0.44 -0.57 0.00 6.17 -1.31 -2.77 115.15 117.69 2hhb h HIS 143 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2hhb h HIS 143 Cb 0.50 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.29 2hhb h HIS 143 CO 0.00 0.41 0.00 1.63 0.71 0.00 0.00 177.93 180.68 2hhb n LYS 144 N -4.35 4.06 -2.53 5.26 5.02 -1.26 -4.93 118.16 119.43 2hhb n LYS 144 Ca 0.01 -2.79 -0.38 0.00 -2.02 0.00 0.00 58.31 53.14 2hhb n LYS 144 Cb 0.19 -2.03 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 2hhb n LYS 144 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2hhb s TYR 145 N -2.21 3.41 0.00 2.13 2.02 -1.05 -4.72 117.35 116.93 2hhb s TYR 145 Ca 0.49 1.68 0.00 0.00 -0.37 0.00 0.00 57.07 58.87 2hhb s TYR 145 Cb 0.34 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.74 2hhb s TYR 145 CO 0.19 -0.54 0.00 -2.39 -1.57 0.00 0.00 175.55 171.24