#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mhb s LEU 2 N 0.00 4.30 0.85 1.34 1.43 -1.26 -5.06 118.68 120.27 2mhb s LEU 2 Ca 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2mhb s LEU 2 Cb 0.00 -2.71 0.10 0.00 0.03 0.00 0.00 46.19 43.61 2mhb s LEU 2 CO 0.00 -1.19 1.09 -0.94 0.23 0.00 0.00 176.35 175.54 2mhb s SER 3 N 2.91 3.94 0.23 2.29 1.04 -1.26 -4.84 113.70 118.01 2mhb s SER 3 Ca 0.27 1.48 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 2mhb s SER 3 Cb -0.14 -2.19 0.40 0.00 0.10 0.00 0.00 66.02 64.19 2mhb s SER 3 CO 0.17 -2.35 1.70 0.00 0.98 0.00 0.00 173.24 173.74 2mhb h ALA 4 N -1.35 0.88 -0.81 5.32 0.00 -1.99 -1.27 119.26 120.03 2mhb h ALA 4 Ca -0.48 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2mhb h ALA 4 Cb 1.27 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2mhb h ALA 4 CO 0.56 -0.30 0.37 0.00 0.00 0.00 0.00 179.25 179.87 2mhb h ALA 5 N 1.55 1.12 -0.58 0.00 0.00 -1.99 -0.65 119.26 118.71 2mhb h ALA 5 Ca 0.38 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2mhb h ALA 5 Cb 0.61 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2mhb h ALA 5 CO -0.46 0.65 0.02 -0.44 0.00 0.00 0.00 179.25 179.03 2mhb h ASP 6 N 1.17 0.99 -0.70 0.00 3.32 -1.65 0.20 116.42 119.75 2mhb h ASP 6 Ca 0.28 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2mhb h ASP 6 Cb 0.14 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2mhb h ASP 6 CO -0.03 1.05 0.19 0.11 -1.72 0.00 0.00 179.24 178.84 2mhb h LYS 7 N 0.91 1.10 -0.28 3.56 1.57 -0.70 0.11 116.57 122.84 2mhb h LYS 7 Ca 0.17 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2mhb h LYS 7 Cb 0.52 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2mhb h LYS 7 CO 0.03 0.96 0.09 1.15 -0.57 0.00 0.00 179.45 181.10 2mhb h THR 8 N 1.03 1.20 -0.89 -0.16 2.02 -0.67 -1.28 112.91 114.17 2mhb h THR 8 Ca 0.22 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 2mhb h THR 8 Cb 0.34 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2mhb h THR 8 CO -0.00 0.21 0.47 0.78 0.37 0.00 0.00 175.52 177.35 2mhb h ASN 9 N 0.29 1.13 -0.03 4.18 -0.26 0.06 -1.62 115.58 119.33 2mhb h ASN 9 Ca 0.09 -0.11 -0.19 0.00 -0.56 0.00 0.00 56.30 55.53 2mhb h ASN 9 Cb 0.25 -0.29 0.01 0.00 -1.06 0.00 0.00 38.32 37.23 2mhb h ASN 9 CO -0.00 0.92 -0.73 0.58 -1.06 0.00 0.00 177.43 177.13 2mhb h VAL 10 N 1.25 1.36 -0.58 2.81 2.07 -0.58 -1.01 116.25 121.57 2mhb h VAL 10 Ca 0.31 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 2mhb h VAL 10 Cb 0.06 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2mhb h VAL 10 CO -0.05 0.62 0.35 0.11 0.02 0.00 0.00 177.57 178.63 2mhb h LYS 11 N 0.13 0.79 -0.37 1.57 1.57 -1.07 -1.57 116.57 117.62 2mhb h LYS 11 Ca -0.08 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 2mhb h LYS 11 Cb 1.41 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 2mhb h LYS 11 CO 0.15 0.57 0.02 0.00 -0.57 0.00 0.00 179.45 179.61 2mhb h ALA 12 N 1.18 0.50 -0.51 3.86 0.00 -1.17 -2.62 119.26 120.50 2mhb h ALA 12 Ca 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2mhb h ALA 12 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2mhb h ALA 12 CO -0.04 0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.64 2mhb h ALA 13 N 0.88 0.67 0.00 0.00 0.00 -0.84 -2.58 119.26 117.39 2mhb h ALA 13 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2mhb h ALA 13 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2mhb h ALA 13 CO 0.02 0.31 -0.27 2.35 0.00 0.00 0.00 179.25 181.65 2mhb h TRP 14 N 0.69 0.00 -0.00 0.00 2.91 -1.20 -1.28 115.95 117.07 2mhb h TRP 14 Ca 0.17 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.08 2mhb h TRP 14 Cb 0.25 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 2mhb h TRP 14 CO 0.01 0.27 -0.51 0.66 -1.03 0.00 0.00 178.44 177.85 2mhb h SER 15 N 0.00 0.01 1.58 2.65 4.64 -1.08 0.06 113.55 121.41 2mhb h SER 15 Ca -0.00 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2mhb h SER 15 Cb 0.72 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2mhb h SER 15 CO 0.04 0.52 -0.23 0.11 -0.87 0.00 0.00 176.83 176.39 2mhb h LYS 16 N 0.01 0.00 -0.03 4.77 1.57 -1.11 -2.77 116.57 119.01 2mhb h LYS 16 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 2mhb h LYS 16 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2mhb h LYS 16 CO 0.07 0.23 -0.87 0.28 -0.57 0.00 0.00 179.45 178.59 2mhb h VAL 17 N 0.00 1.40 0.00 0.50 2.07 -0.65 -3.47 116.25 116.09 2mhb h VAL 17 Ca -0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2mhb h VAL 17 Cb 1.09 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2mhb h VAL 17 CO 0.03 0.71 0.00 0.61 0.02 0.00 0.00 177.57 178.94 2mhb n GLY 18 N 0.82 2.64 0.28 2.17 0.00 -0.14 -1.62 105.19 109.34 2mhb n GLY 18 Ca -0.06 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2mhb n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2mhb n GLY 19 N 0.00 -0.32 0.25 -0.02 0.00 -1.26 -3.57 105.19 100.27 2mhb n GLY 19 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2mhb n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mhb n HIS 20 N -0.15 0.00 -0.30 1.61 -0.00 -0.64 -4.38 115.22 111.35 2mhb n HIS 20 Ca 0.11 0.00 0.24 0.00 -0.00 0.00 0.00 57.72 58.07 2mhb n HIS 20 Cb 0.17 -0.07 0.56 0.00 -0.00 0.00 0.00 29.99 30.64 2mhb n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2mhb h ALA 21 N 3.53 2.39 0.13 -1.41 0.00 -1.68 0.14 119.26 122.36 2mhb h ALA 21 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2mhb h ALA 21 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2mhb h ALA 21 CO 0.00 -0.76 -0.06 0.78 0.00 0.00 0.00 179.25 179.21 2mhb h GLY 22 N 0.32 -0.18 1.07 0.00 0.00 -1.84 -1.51 103.07 100.94 2mhb h GLY 22 Ca 0.57 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.99 2mhb h GLY 22 CO -0.22 -0.06 0.56 0.83 0.00 0.00 0.00 176.54 177.64 2mhb h GLU 23 N -0.56 1.05 -0.14 4.80 5.08 -1.10 -1.24 114.58 122.47 2mhb h GLU 23 Ca -0.02 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2mhb h GLU 23 Cb 0.44 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2mhb h GLU 23 CO 0.03 0.69 -0.48 1.88 -1.00 0.00 0.00 179.01 180.13 2mhb h TYR 24 N 1.08 0.44 -0.55 4.33 0.99 -0.96 -1.77 116.97 120.54 2mhb h TYR 24 Ca 0.33 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.85 2mhb h TYR 24 Cb -0.01 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.61 2mhb h TYR 24 CO -0.00 0.78 0.07 0.78 -0.00 0.00 0.00 178.16 179.79 2mhb h GLY 25 N 1.23 0.99 1.08 3.88 0.00 -0.16 0.17 103.07 110.25 2mhb h GLY 25 Ca 0.02 -0.67 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 2mhb h GLY 25 CO 0.08 0.62 -0.63 0.00 0.00 0.00 0.00 176.54 176.62 2mhb h ALA 26 N 0.98 0.32 -0.68 3.60 0.00 -1.13 -2.29 119.26 120.06 2mhb h ALA 26 Ca 0.16 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2mhb h ALA 26 Cb 0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2mhb h ALA 26 CO 0.01 0.58 0.17 1.49 0.00 0.00 0.00 179.25 181.51 2mhb h GLU 27 N 0.45 1.08 -0.25 0.00 4.81 -1.15 -1.43 114.58 118.09 2mhb h GLU 27 Ca -0.03 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 2mhb h GLU 27 Cb 1.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2mhb h GLU 27 CO 0.13 0.95 -0.09 0.00 -0.73 0.00 0.00 179.01 179.27 2mhb h ALA 28 N 1.15 1.38 -0.17 2.92 0.00 -0.80 -0.94 119.26 122.80 2mhb h ALA 28 Ca 0.22 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2mhb h ALA 28 Cb 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2mhb h ALA 28 CO -0.00 0.42 -0.20 -0.07 0.00 0.00 0.00 179.25 179.41 2mhb h LEU 29 N 0.38 0.48 -0.61 0.00 3.38 -0.81 -1.81 115.31 116.31 2mhb h LEU 29 Ca 0.08 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.64 2mhb h LEU 29 Cb 0.40 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2mhb h LEU 29 CO 0.02 0.87 0.25 -0.33 0.09 0.00 0.00 178.44 179.34 2mhb h GLU 30 N 0.09 0.43 -0.02 1.13 5.08 -0.45 -0.14 114.58 120.71 2mhb h GLU 30 Ca 0.02 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2mhb h GLU 30 Cb 0.75 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2mhb h GLU 30 CO 0.05 0.29 -0.61 0.00 -1.00 0.00 0.00 179.01 177.74 2mhb h ARG 31 N 0.45 0.07 -0.24 2.33 3.08 -0.95 -1.39 114.38 117.74 2mhb h ARG 31 Ca 0.30 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 2mhb h ARG 31 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2mhb h ARG 31 CO -0.28 0.66 -0.12 1.98 -1.07 0.00 0.00 179.97 181.13 2mhb h MET 32 N 0.06 0.50 -0.08 0.04 4.05 -0.48 -0.46 114.93 118.56 2mhb h MET 32 Ca -0.01 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.13 2mhb h MET 32 Cb 1.09 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 2mhb h MET 32 CO 0.08 0.77 -0.24 0.74 0.23 0.00 0.00 176.91 178.49 2mhb h PHE 33 N 0.21 0.15 0.09 1.39 0.04 -0.41 0.61 116.94 119.02 2mhb h PHE 33 Ca 0.05 -0.02 -0.29 0.00 2.80 0.00 0.00 57.97 60.50 2mhb h PHE 33 Cb 0.63 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 2mhb h PHE 33 CO 0.06 0.38 -1.57 -0.07 -0.60 0.00 0.00 178.31 176.52 2mhb h LEU 34 N 0.13 0.28 0.00 1.54 4.07 -1.26 -3.32 115.31 116.75 2mhb h LEU 34 Ca 0.02 -0.79 -0.16 0.00 0.08 0.00 0.00 57.88 57.03 2mhb h LEU 34 Cb 0.51 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2mhb h LEU 34 CO 0.04 1.67 -0.88 1.23 -1.08 0.00 0.00 178.44 179.41 2mhb h GLY 35 N 0.12 0.00 -6.08 0.83 0.00 -1.05 -3.39 103.07 93.51 2mhb h GLY 35 Ca -0.36 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.40 2mhb h GLY 35 CO -0.01 0.00 -0.90 0.69 0.00 0.00 0.00 176.54 176.32 2mhb n PHE 36 N -3.21 1.26 -0.23 5.60 3.01 0.20 -4.99 117.46 119.09 2mhb n PHE 36 Ca -0.02 -3.80 0.29 0.00 1.01 0.00 0.00 57.45 54.93 2mhb n PHE 36 Cb 0.84 -0.43 0.46 0.00 -0.01 0.00 0.00 39.48 40.34 2mhb n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2mhb h PRO 37 N 4.08 0.00 0.00 -1.08 0.11 -1.72 -1.66 132.00 131.73 2mhb h PRO 37 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 2mhb h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2mhb h PRO 37 CO 0.61 0.00 -0.15 1.15 -0.21 0.00 0.00 178.00 179.41 2mhb h THR 38 N 0.00 0.67 0.00 -1.15 2.02 -1.90 -2.36 112.91 110.19 2mhb h THR 38 Ca 0.51 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2mhb h THR 38 Cb 2.95 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 70.75 2mhb h THR 38 CO -0.01 0.14 0.00 0.35 0.37 0.00 0.00 175.52 176.38 2mhb n THR 39 N -3.73 0.29 0.27 3.16 -2.24 -0.62 -2.78 114.28 108.62 2mhb n THR 39 Ca -0.02 0.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.99 2mhb n THR 39 Cb 0.26 -0.66 0.60 0.00 -2.10 0.00 0.00 70.33 68.43 2mhb n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2mhb h LYS 40 N 0.00 0.00 -0.55 -0.78 1.57 -1.64 -3.09 116.57 112.08 2mhb h LYS 40 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2mhb h LYS 40 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2mhb h LYS 40 CO 0.00 0.02 0.37 1.15 -0.57 0.00 0.00 179.45 180.42 2mhb h THR 41 N 0.00 0.93 0.00 -0.16 2.02 -1.71 -2.17 112.91 111.82 2mhb h THR 41 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2mhb h THR 41 Cb 0.60 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2mhb h THR 41 CO 0.00 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 2mhb n TYR 42 N -4.47 0.00 -2.79 3.16 4.01 -1.17 -4.11 117.16 111.79 2mhb n TYR 42 Ca 0.08 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 2mhb n TYR 42 Cb 0.31 -0.43 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 2mhb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2mhb n PHE 43 N -1.43 2.44 -0.22 -0.72 3.01 -0.82 -4.89 117.46 114.84 2mhb n PHE 43 Ca 0.08 -3.42 -0.00 0.00 1.01 0.00 0.00 57.45 55.11 2mhb n PHE 43 Cb 0.24 -0.33 0.22 0.00 -0.01 0.00 0.00 39.48 39.61 2mhb n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2mhb h PRO 44 N 2.87 1.00 0.00 -1.08 0.11 -1.72 -2.48 132.00 130.69 2mhb h PRO 44 Ca 0.12 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2mhb h PRO 44 Cb 0.87 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2mhb h PRO 44 CO 0.69 0.70 0.00 -2.39 -0.21 0.00 0.00 178.00 176.79 2mhb n HIS 45 N -4.39 0.00 -4.23 0.65 1.44 -1.26 -4.81 115.22 102.62 2mhb n HIS 45 Ca 0.08 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.47 2mhb n HIS 45 Cb 0.06 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.09 2mhb n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2mhb s PHE 46 N -2.00 3.08 -0.30 -1.40 2.99 -0.94 -5.07 117.98 114.34 2mhb s PHE 46 Ca 0.24 0.07 -0.18 0.00 0.00 0.00 0.00 56.93 57.06 2mhb s PHE 46 Cb 0.11 -1.65 -0.02 0.00 0.00 0.00 0.00 43.02 41.47 2mhb s PHE 46 CO 0.19 0.47 0.53 0.34 -0.00 0.00 0.00 175.22 176.76 2mhb s ASP 47 N -1.76 6.40 0.00 1.36 3.68 -1.26 -4.89 116.67 120.20 2mhb s ASP 47 Ca 0.21 0.30 0.19 0.00 2.13 0.00 0.00 52.55 55.38 2mhb s ASP 47 Cb -0.12 -2.28 0.43 0.00 -1.45 0.00 0.00 42.92 39.50 2mhb s ASP 47 CO 0.13 -0.39 1.35 0.18 0.13 0.00 0.00 175.17 176.57 2mhb n LEU 48 N 5.68 3.34 -4.31 -1.34 4.32 -1.26 -4.52 117.00 118.91 2mhb n LEU 48 Ca -0.04 -1.70 -0.33 0.00 -0.02 0.00 0.00 56.01 53.92 2mhb n LEU 48 Cb 0.49 -0.29 0.13 0.00 -1.62 0.00 0.00 43.42 42.14 2mhb n LEU 48 CO 0.43 0.78 -0.44 -1.54 -1.22 0.00 0.00 177.39 175.39 2mhb n SER 49 N 1.24 -2.50 0.00 -1.43 3.41 -1.26 -4.85 113.62 108.24 2mhb n SER 49 Ca 0.18 0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.98 2mhb n SER 49 Cb 0.54 -1.04 0.46 0.00 -0.26 0.00 0.00 64.21 63.91 2mhb n SER 49 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2mhb n HIS 50 N -3.87 0.00 -2.63 7.33 -0.00 -1.26 -3.17 115.22 111.62 2mhb n HIS 50 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.74 2mhb n HIS 50 Cb 0.58 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.63 2mhb n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2mhb n GLY 51 N 0.43 1.60 3.78 -1.41 0.00 -1.26 -5.14 105.19 103.20 2mhb n GLY 51 Ca 0.12 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2mhb n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2mhb s SER 52 N -2.29 6.52 0.50 1.61 0.15 -1.19 -4.97 113.70 114.02 2mhb s SER 52 Ca 0.19 2.06 0.29 0.00 0.70 0.00 0.00 55.95 59.19 2mhb s SER 52 Cb 0.33 -2.58 1.15 0.00 -1.71 0.00 0.00 66.02 63.21 2mhb s SER 52 CO -0.08 -0.66 1.91 0.00 1.20 0.00 0.00 173.24 175.60 2mhb h ALA 53 N 2.14 1.02 0.09 5.45 0.00 -1.93 -2.72 119.26 123.30 2mhb h ALA 53 Ca -0.49 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.08 2mhb h ALA 53 Cb 1.22 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.02 2mhb h ALA 53 CO 0.61 0.12 -1.04 1.96 0.00 0.00 0.00 179.25 180.90 2mhb h GLN 54 N 0.00 0.54 -0.32 0.00 4.20 -1.94 -1.29 115.11 116.31 2mhb h GLN 54 Ca -0.00 -0.71 -0.12 0.00 0.06 0.00 0.00 58.65 57.88 2mhb h GLN 54 Cb 0.62 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2mhb h GLN 54 CO 0.01 1.30 -0.29 0.28 -0.67 0.00 0.00 178.83 179.46 2mhb h VAL 55 N 0.11 1.28 -0.40 -0.54 2.07 -1.78 0.59 116.25 117.59 2mhb h VAL 55 Ca -0.16 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 2mhb h VAL 55 Cb 1.74 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2mhb h VAL 55 CO 0.20 0.46 -0.13 0.50 0.02 0.00 0.00 177.57 178.62 2mhb h LYS 56 N 0.57 0.79 -0.08 1.57 3.64 -1.48 1.12 116.57 122.70 2mhb h LYS 56 Ca 0.07 -0.32 -0.18 0.00 -1.27 0.00 0.00 60.65 58.95 2mhb h LYS 56 Cb 0.79 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2mhb h LYS 56 CO 0.07 0.93 -0.73 0.00 -2.27 0.00 0.00 179.45 177.45 2mhb h ALA 57 N 0.83 0.60 -0.07 5.00 0.00 -0.76 -1.93 119.26 122.92 2mhb h ALA 57 Ca 0.10 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2mhb h ALA 57 Cb 0.66 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2mhb h ALA 57 CO 0.05 0.76 -0.63 1.25 0.00 0.00 0.00 179.25 180.68 2mhb h HIS 58 N 0.28 0.35 -0.62 0.00 -0.00 0.55 -2.89 115.15 112.82 2mhb h HIS 58 Ca -0.03 -0.14 -0.08 0.00 -0.00 0.00 0.00 60.37 60.13 2mhb h HIS 58 Cb 1.30 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.62 2mhb h HIS 58 CO 0.04 0.82 0.09 0.78 -0.00 0.00 0.00 177.93 179.67 2mhb h GLY 59 N 1.45 1.10 1.30 5.26 0.00 0.18 -1.99 103.07 110.37 2mhb h GLY 59 Ca -0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 2mhb h GLY 59 CO 0.10 0.67 0.10 1.70 0.00 0.00 0.00 176.54 179.11 2mhb h LYS 60 N 0.96 0.87 -0.24 4.80 1.63 -1.17 -2.05 116.57 121.38 2mhb h LYS 60 Ca 0.19 -0.20 -0.14 0.00 -0.85 0.00 0.00 60.65 59.65 2mhb h LYS 60 Cb 0.43 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2mhb h LYS 60 CO 0.01 0.81 -0.42 0.87 -3.45 0.00 0.00 179.45 177.26 2mhb h LYS 61 N 0.83 0.58 -0.33 1.90 1.79 -1.23 -0.82 116.57 119.29 2mhb h LYS 61 Ca 0.17 -0.30 -0.11 0.00 -2.18 0.00 0.00 60.65 58.23 2mhb h LYS 61 Cb 0.36 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2mhb h LYS 61 CO 0.01 0.90 -0.20 0.28 -1.08 0.00 0.00 179.45 179.35 2mhb h VAL 62 N 0.47 1.29 -0.68 0.50 2.07 -1.06 -1.49 116.25 117.34 2mhb h VAL 62 Ca 0.04 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 2mhb h VAL 62 Cb 0.94 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2mhb h VAL 62 CO 0.08 0.43 0.13 1.23 0.02 0.00 0.00 177.57 179.47 2mhb h GLY 63 N 0.49 1.20 1.01 2.17 0.00 -1.22 -1.27 103.07 105.45 2mhb h GLY 63 Ca 0.07 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 2mhb h GLY 63 CO 0.06 0.73 0.47 -0.55 0.00 0.00 0.00 176.54 177.24 2mhb h ASP 64 N 1.05 0.91 0.13 0.19 5.19 -0.99 -0.02 116.42 122.87 2mhb h ASP 64 Ca 0.21 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.46 2mhb h ASP 64 Cb 0.42 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2mhb h ASP 64 CO 0.01 0.70 -0.34 0.00 -3.12 0.00 0.00 179.24 176.49 2mhb h ALA 65 N 1.25 1.14 0.11 3.45 0.00 -0.73 -1.73 119.26 122.75 2mhb h ALA 65 Ca 0.28 -0.37 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 2mhb h ALA 65 Cb -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.66 2mhb h ALA 65 CO -0.05 0.55 -1.20 -0.07 0.00 0.00 0.00 179.25 178.48 2mhb h LEU 66 N 0.27 0.62 -1.00 0.00 3.38 -0.65 -2.14 115.31 115.80 2mhb h LEU 66 Ca 0.03 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2mhb h LEU 66 Cb 0.73 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2mhb h LEU 66 CO 0.06 1.43 0.51 0.74 0.09 0.00 0.00 178.44 181.27 2mhb h THR 67 N 0.18 1.25 -0.42 0.22 2.02 -0.83 -1.88 112.91 113.44 2mhb h THR 67 Ca -0.15 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 2mhb h THR 67 Cb 1.88 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2mhb h THR 67 CO 0.21 0.27 0.11 0.25 0.37 0.00 0.00 175.52 176.73 2mhb h LEU 68 N 1.22 0.63 -1.20 2.58 7.12 -1.09 -2.48 115.31 122.10 2mhb h LEU 68 Ca 0.31 -0.22 -0.06 0.00 0.13 0.00 0.00 57.88 58.04 2mhb h LEU 68 Cb -0.02 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 39.93 2mhb h LEU 68 CO -0.06 0.69 -0.08 0.00 -0.13 0.00 0.00 178.44 178.87 2mhb h ALA 69 N 0.96 1.34 -0.16 1.25 0.00 -0.92 -0.90 119.26 120.83 2mhb h ALA 69 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2mhb h ALA 69 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2mhb h ALA 69 CO -0.00 0.45 -0.34 0.28 0.00 0.00 0.00 179.25 179.64 2mhb h VAL 70 N 0.44 1.28 -0.04 0.00 2.07 -0.93 0.22 116.25 119.30 2mhb h VAL 70 Ca 0.09 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2mhb h VAL 70 Cb 0.41 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2mhb h VAL 70 CO 0.02 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.64 2mhb n GLY 71 N -0.30 -0.31 0.00 2.17 0.00 -0.43 -3.75 105.19 102.57 2mhb n GLY 71 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2mhb n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mhb n HIS 72 N -0.20 0.00 -0.28 1.61 -0.00 -0.60 -4.94 115.22 110.80 2mhb n HIS 72 Ca 0.19 -0.09 0.23 0.00 -0.00 0.00 0.00 57.72 58.05 2mhb n HIS 72 Cb 0.26 -0.01 0.36 0.00 -0.00 0.00 0.00 29.99 30.60 2mhb n HIS 72 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2mhb n LEU 73 N -0.09 0.00 0.13 2.41 4.77 0.68 0.14 117.00 125.05 2mhb n LEU 73 Ca 0.00 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2mhb n LEU 73 Cb 0.15 -0.22 0.31 0.00 -2.33 0.00 0.00 43.42 41.33 2mhb n LEU 73 CO 0.00 -0.48 0.80 0.44 -1.33 0.00 0.00 177.39 176.82 2mhb h ASP 74 N 0.00 0.00 -2.12 -1.43 3.45 -1.92 -3.37 116.42 111.03 2mhb h ASP 74 Ca 0.41 -0.02 -0.57 0.00 0.43 0.00 0.00 57.03 57.28 2mhb h ASP 74 Cb 1.83 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 40.21 2mhb h ASP 74 CO -0.00 0.01 -1.06 -0.67 -1.57 0.00 0.00 179.24 175.95 2mhb n ASP 75 N -2.50 0.07 0.07 6.45 4.64 0.38 -4.95 116.55 120.71 2mhb n ASP 75 Ca 0.05 -2.61 -0.05 0.00 -1.38 0.00 0.00 54.79 50.79 2mhb n ASP 75 Cb 0.46 -0.62 0.13 0.00 -1.04 0.00 0.00 41.12 40.06 2mhb n ASP 75 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2mhb h LEU 76 N 4.50 0.32 -1.66 -2.67 3.38 -1.73 -3.02 115.31 114.42 2mhb h LEU 76 Ca 0.13 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2mhb h LEU 76 Cb 0.88 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2mhb h LEU 76 CO 0.44 0.82 0.26 -0.65 0.09 0.00 0.00 178.44 179.40 2mhb h PRO 77 N 0.22 0.44 0.23 1.13 0.11 -1.92 -1.84 132.00 130.37 2mhb h PRO 77 Ca 0.00 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.74 2mhb h PRO 77 Cb 1.06 -0.10 0.03 0.00 0.11 0.00 0.00 31.00 32.09 2mhb h PRO 77 CO 0.09 0.29 -1.62 0.78 -0.21 0.00 0.00 178.00 177.33 2mhb h GLY 78 N 0.45 0.55 2.00 -0.55 0.00 -1.96 -3.28 103.07 100.29 2mhb h GLY 78 Ca 0.16 -1.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.00 2mhb h GLY 78 CO -0.04 1.23 -0.38 0.00 0.00 0.00 0.00 176.54 177.35 2mhb h ALA 79 N 0.13 0.76 -0.32 3.60 0.00 -1.41 -3.30 119.26 118.72 2mhb h ALA 79 Ca -0.30 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2mhb h ALA 79 Cb 2.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2mhb h ALA 79 CO 0.23 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.24 2mhb n LEU 80 N -3.20 4.05 -0.20 0.00 4.77 -0.70 -4.74 117.00 116.96 2mhb n LEU 80 Ca 0.02 -2.87 -0.09 0.00 -0.03 0.00 0.00 56.01 53.04 2mhb n LEU 80 Cb 0.68 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2mhb n LEU 80 CO 0.39 0.68 0.83 0.28 -1.33 0.00 0.00 177.39 178.24 2mhb h SER 81 N 2.19 0.99 -0.06 -1.43 0.02 -1.64 -0.45 113.55 113.17 2mhb h SER 81 Ca 0.00 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.69 2mhb h SER 81 Cb 1.43 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 2mhb h SER 81 CO 0.23 1.05 -0.21 -2.24 -1.14 0.00 0.00 176.83 174.52 2mhb h ASP 82 N 0.91 -0.64 0.05 3.07 3.04 -1.88 -2.18 116.42 118.80 2mhb h ASP 82 Ca 0.17 0.10 -0.01 0.00 -3.24 0.00 0.00 57.03 54.05 2mhb h ASP 82 Cb 0.52 0.28 -0.00 0.00 -1.04 0.00 0.00 39.33 39.09 2mhb h ASP 82 CO 0.03 -0.27 -0.05 -0.07 -2.04 0.00 0.00 179.24 176.83 2mhb h LEU 83 N -0.31 0.00 -0.18 0.15 -0.00 -1.79 -2.45 115.31 110.73 2mhb h LEU 83 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.73 2mhb h LEU 83 Cb 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.09 2mhb h LEU 83 CO -0.24 0.05 -0.84 -1.28 -0.00 0.00 0.00 178.44 176.14 2mhb h SER 84 N 0.00 0.79 -0.38 -0.43 0.87 -0.62 -2.61 113.55 111.17 2mhb h SER 84 Ca -0.00 -0.56 -0.05 0.00 -1.23 0.00 0.00 61.79 59.95 2mhb h SER 84 Cb 0.09 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2mhb h SER 84 CO 0.01 1.34 0.04 -1.13 -0.53 0.00 0.00 176.83 176.56 2mhb h ASN 85 N 0.42 0.62 0.23 6.23 -0.73 -0.96 -2.33 115.58 119.05 2mhb h ASN 85 Ca -0.07 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 57.81 2mhb h ASN 85 Cb 1.46 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.89 2mhb h ASN 85 CO 0.16 0.75 -0.11 0.25 -0.37 0.00 0.00 177.43 178.11 2mhb h LEU 86 N 0.48 -0.26 -0.51 0.34 5.85 -1.38 0.15 115.31 119.98 2mhb h LEU 86 Ca 0.11 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 2mhb h LEU 86 Cb 0.41 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2mhb h LEU 86 CO 0.01 -0.08 -0.65 0.45 -0.34 0.00 0.00 178.44 177.83 2mhb h HIS 87 N -0.42 0.50 0.07 1.25 3.86 -1.45 -0.93 115.15 118.03 2mhb h HIS 87 Ca -0.03 -0.20 -0.36 0.00 -1.16 0.00 0.00 60.37 58.62 2mhb h HIS 87 Cb 0.32 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 2mhb h HIS 87 CO -0.03 0.92 -2.02 0.00 0.86 0.00 0.00 177.93 177.67 2mhb n ALA 88 N -2.50 1.00 -0.07 2.45 0.00 -0.88 -0.63 120.51 119.88 2mhb n ALA 88 Ca -0.03 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.47 2mhb n ALA 88 Cb 0.65 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 2mhb n ALA 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2mhb n HIS 89 N -3.66 1.04 0.06 0.00 -0.00 0.03 -3.60 115.22 109.09 2mhb n HIS 89 Ca -0.37 0.36 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2mhb n HIS 89 Cb 0.96 -1.11 -0.02 0.00 -0.00 0.00 0.00 29.99 29.82 2mhb n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2mhb h LYS 90 N -0.67 -0.21 0.00 1.57 3.64 -1.38 -3.40 116.57 116.12 2mhb h LYS 90 Ca -0.39 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2mhb h LYS 90 Cb 1.54 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 2mhb h LYS 90 CO -0.13 -0.14 -0.55 -0.07 -2.27 0.00 0.00 179.45 176.29 2mhb h LEU 91 N -0.73 0.00 -2.35 5.20 3.38 -1.32 -3.47 115.31 116.02 2mhb h LEU 91 Ca -0.02 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.50 2mhb h LEU 91 Cb 0.17 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.95 2mhb h LEU 91 CO 0.04 0.17 -0.89 0.54 0.09 0.00 0.00 178.44 178.39 2mhb n ARG 92 N -2.98 -2.97 -2.05 1.13 1.74 -0.27 -4.84 116.66 106.42 2mhb n ARG 92 Ca 0.01 0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 2mhb n ARG 92 Cb 0.61 -4.60 -0.03 0.00 -1.02 0.00 0.00 32.46 27.42 2mhb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2mhb s VAL 93 N -3.69 3.48 -0.02 1.55 1.01 0.20 -4.96 120.40 117.96 2mhb s VAL 93 Ca 0.18 0.76 -0.37 0.00 0.00 0.00 0.00 61.98 62.56 2mhb s VAL 93 Cb -0.06 -3.49 -0.15 0.00 0.00 0.00 0.00 36.38 32.68 2mhb s VAL 93 CO 0.85 -0.03 1.59 -0.67 0.00 0.00 0.00 175.10 176.84 2mhb n ASP 94 N 6.26 2.45 0.32 3.32 -0.08 -1.26 -4.84 116.55 122.71 2mhb n ASP 94 Ca 0.16 1.08 0.21 0.00 -1.51 0.00 0.00 54.79 54.72 2mhb n ASP 94 Cb 0.42 -1.26 1.06 0.00 2.34 0.00 0.00 41.12 43.68 2mhb n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2mhb h PRO 95 N 6.31 0.00 -0.09 -0.67 0.13 -1.99 -0.81 132.00 134.88 2mhb h PRO 95 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2mhb h PRO 95 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2mhb h PRO 95 CO 0.88 0.01 -0.22 0.28 -0.23 0.00 0.00 178.00 178.71 2mhb h VAL 96 N 0.00 1.20 0.00 1.56 2.07 -2.02 -2.43 116.25 116.63 2mhb h VAL 96 Ca -0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2mhb h VAL 96 Cb 0.15 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2mhb h VAL 96 CO 0.00 0.28 0.00 0.78 0.02 0.00 0.00 177.57 178.65 2mhb h ASN 97 N 0.14 0.00 0.29 0.57 2.35 -1.51 -0.73 115.58 116.70 2mhb h ASN 97 Ca 0.03 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.56 2mhb h ASN 97 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2mhb h ASN 97 CO 0.03 0.00 -0.86 -0.26 -1.65 0.00 0.00 177.43 174.69 2mhb h PHE 98 N 0.00 0.60 -0.51 1.19 0.04 -1.60 -1.69 116.94 114.98 2mhb h PHE 98 Ca 0.00 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.41 2mhb h PHE 98 Cb 0.24 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2mhb h PHE 98 CO 0.00 1.10 0.08 0.87 -0.60 0.00 0.00 178.31 179.76 2mhb h LYS 99 N 0.26 0.80 -0.04 1.51 1.57 -1.24 -1.10 116.57 118.32 2mhb h LYS 99 Ca -0.06 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.42 2mhb h LYS 99 Cb 1.48 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.69 2mhb h LYS 99 CO 0.15 0.75 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.27 2mhb h LEU 100 N 0.76 0.46 -1.07 2.94 3.38 -1.22 -1.69 115.31 118.87 2mhb h LEU 100 Ca 0.16 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2mhb h LEU 100 Cb 0.35 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2mhb h LEU 100 CO 0.01 1.10 0.17 0.25 0.09 0.00 0.00 178.44 180.06 2mhb h LEU 101 N -0.13 0.77 -0.46 1.67 5.85 -1.25 -2.29 115.31 119.46 2mhb h LEU 101 Ca -0.04 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2mhb h LEU 101 Cb 1.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2mhb h LEU 101 CO 0.09 0.73 0.13 0.28 -0.34 0.00 0.00 178.44 179.32 2mhb h SER 102 N 0.81 0.69 -0.76 1.25 0.02 -0.99 -0.54 113.55 114.04 2mhb h SER 102 Ca 0.19 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2mhb h SER 102 Cb 0.24 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2mhb h SER 102 CO -0.01 0.73 0.33 -0.74 -1.14 0.00 0.00 176.83 176.00 2mhb h HIS 103 N 0.62 1.14 0.00 3.45 -0.00 -0.98 -0.93 115.15 118.45 2mhb h HIS 103 Ca 0.15 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2mhb h HIS 103 Cb 0.30 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2mhb h HIS 103 CO 0.02 0.85 -0.00 0.00 -0.00 0.00 0.00 177.93 178.80 2mhb h LEU 105 N 0.00 0.74 -0.59 0.00 5.85 0.18 -2.15 115.31 119.35 2mhb h LEU 105 Ca -0.00 -0.88 -0.15 0.00 0.84 0.00 0.00 57.88 57.69 2mhb h LEU 105 Cb 0.69 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2mhb h LEU 105 CO 0.00 1.56 -0.62 -0.07 -0.34 0.00 0.00 178.44 178.97 2mhb h LEU 106 N 0.04 0.36 -0.70 2.25 3.38 -0.89 -1.58 115.31 118.18 2mhb h LEU 106 Ca -0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2mhb h LEU 106 Cb 1.87 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 2mhb h LEU 106 CO 0.22 0.89 0.35 0.28 0.09 0.00 0.00 178.44 180.27 2mhb h SER 107 N 0.23 0.90 -0.30 -0.43 0.02 -1.05 -1.00 113.55 111.92 2mhb h SER 107 Ca -0.01 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.68 2mhb h SER 107 Cb 1.14 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2mhb h SER 107 CO 0.10 0.77 -0.32 0.74 -1.14 0.00 0.00 176.83 176.98 2mhb h THR 108 N 0.97 1.28 -0.33 -2.27 2.02 -0.83 -2.42 112.91 111.32 2mhb h THR 108 Ca 0.24 -1.48 -0.14 0.00 0.77 0.00 0.00 66.41 65.80 2mhb h THR 108 Cb 0.09 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2mhb h THR 108 CO -0.03 0.49 -0.35 -0.07 0.37 0.00 0.00 175.52 175.93 2mhb h LEU 109 N 0.69 0.88 -1.28 2.58 4.07 -1.00 -2.23 115.31 119.02 2mhb h LEU 109 Ca 0.07 -0.47 -0.02 0.00 0.08 0.00 0.00 57.88 57.54 2mhb h LEU 109 Cb 0.87 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 2mhb h LEU 109 CO 0.08 1.17 0.28 0.00 -1.08 0.00 0.00 178.44 178.89 2mhb h ALA 110 N 0.73 1.44 -0.16 1.53 0.00 -1.04 0.30 119.26 122.07 2mhb h ALA 110 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2mhb h ALA 110 Cb 0.93 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2mhb h ALA 110 CO 0.09 0.45 -0.04 0.28 0.00 0.00 0.00 179.25 180.02 2mhb h VAL 111 N 0.78 1.29 0.00 0.00 2.07 -0.91 -3.06 116.25 116.42 2mhb h VAL 111 Ca 0.20 -1.02 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 2mhb h VAL 111 Cb 0.06 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2mhb h VAL 111 CO -0.03 0.30 -1.41 1.41 0.02 0.00 0.00 177.57 177.86 2mhb n HIS 112 N -4.68 0.87 -2.60 1.57 -0.00 -0.91 -4.39 115.22 105.09 2mhb n HIS 112 Ca -0.05 0.28 -0.23 0.00 -0.00 0.00 0.00 57.72 57.72 2mhb n HIS 112 Cb 0.27 -1.02 -0.00 0.00 -0.00 0.00 0.00 29.99 29.24 2mhb n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2mhb n LEU 113 N -2.80 3.91 -0.21 2.41 4.77 0.10 -4.94 117.00 120.25 2mhb n LEU 113 Ca -0.08 -4.98 0.28 0.00 -0.03 0.00 0.00 56.01 51.19 2mhb n LEU 113 Cb 0.78 -0.26 0.68 0.00 -2.33 0.00 0.00 43.42 42.29 2mhb n LEU 113 CO 0.42 2.12 1.26 1.55 -1.33 0.00 0.00 177.39 181.42 2mhb h PRO 114 N 2.72 0.08 0.00 3.23 0.13 -1.71 -0.90 132.00 135.56 2mhb h PRO 114 Ca 0.19 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.10 2mhb h PRO 114 Cb 0.92 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2mhb h PRO 114 CO 0.77 0.05 -1.22 -0.91 -0.23 0.00 0.00 178.00 176.46 2mhb h ASN 115 N 0.08 0.00 0.69 1.44 2.35 -1.92 -3.33 115.58 114.89 2mhb h ASN 115 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 2mhb h ASN 115 Cb 1.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.04 2mhb h ASN 115 CO -0.05 0.91 -0.79 0.47 -1.65 0.00 0.00 177.43 176.32 2mhb n ASP 116 N -3.19 0.66 -3.79 5.81 9.92 -0.74 -4.42 116.55 120.81 2mhb n ASP 116 Ca -0.06 -0.01 -0.42 0.00 -0.53 0.00 0.00 54.79 53.77 2mhb n ASP 116 Cb 0.95 0.42 0.01 0.00 -0.64 0.00 0.00 41.12 41.85 2mhb n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2mhb n PHE 117 N -2.05 2.66 -1.62 1.24 7.35 -0.42 -4.83 117.46 119.79 2mhb n PHE 117 Ca 0.03 -2.72 -0.29 0.00 -0.76 0.00 0.00 57.45 53.71 2mhb n PHE 117 Cb 0.44 -1.68 0.12 0.00 0.35 0.00 0.00 39.48 38.70 2mhb n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2mhb s THR 118 N -1.18 2.22 0.23 -2.13 -4.23 -1.26 -4.79 115.64 104.49 2mhb s THR 118 Ca 0.41 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.92 2mhb s THR 118 Cb 0.11 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.26 2mhb s THR 118 CO -0.01 -0.09 1.81 -0.65 -0.54 0.00 0.00 174.62 175.14 2mhb h PRO 119 N -1.32 0.74 -0.66 3.99 0.11 -1.98 0.28 132.00 133.15 2mhb h PRO 119 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2mhb h PRO 119 Cb 1.32 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2mhb h PRO 119 CO 0.62 0.49 0.27 0.00 -0.21 0.00 0.00 178.00 179.17 2mhb h ALA 120 N 1.41 0.85 0.01 -0.75 0.00 -1.97 -1.98 119.26 116.82 2mhb h ALA 120 Ca 0.35 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 2mhb h ALA 120 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2mhb h ALA 120 CO -0.22 0.47 -0.90 0.28 0.00 0.00 0.00 179.25 178.89 2mhb h VAL 121 N 0.93 1.51 -0.67 0.00 2.07 -1.62 -2.75 116.25 115.72 2mhb h VAL 121 Ca 0.22 -2.68 -0.07 0.00 0.82 0.00 0.00 66.70 64.98 2mhb h VAL 121 Cb 0.20 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2mhb h VAL 121 CO -0.02 0.78 0.13 -0.74 0.02 0.00 0.00 177.57 177.74 2mhb h HIS 122 N 0.10 1.15 -0.37 1.57 6.17 -0.24 -1.59 115.15 121.94 2mhb h HIS 122 Ca -0.05 -0.15 -0.13 0.00 0.71 0.00 0.00 60.37 60.76 2mhb h HIS 122 Cb 1.54 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 31.14 2mhb h HIS 122 CO 0.03 0.95 -0.30 0.00 0.71 0.00 0.00 177.93 179.32 2mhb h ALA 123 N 1.11 0.79 -0.01 5.26 0.00 -1.17 -1.21 119.26 124.02 2mhb h ALA 123 Ca 0.21 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2mhb h ALA 123 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2mhb h ALA 123 CO 0.01 0.65 -0.77 0.77 0.00 0.00 0.00 179.25 179.90 2mhb h SER 124 N 0.67 0.13 0.08 0.00 0.02 -1.29 -2.05 113.55 111.11 2mhb h SER 124 Ca 0.08 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 2mhb h SER 124 Cb 0.83 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2mhb h SER 124 CO 0.07 0.85 -0.74 -0.07 -1.14 0.00 0.00 176.83 175.81 2mhb h LEU 125 N 0.06 0.67 -0.39 5.07 4.07 -0.98 -0.74 115.31 123.09 2mhb h LEU 125 Ca -0.02 -0.44 -0.05 0.00 0.08 0.00 0.00 57.88 57.45 2mhb h LEU 125 Cb 1.36 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 2mhb h LEU 125 CO 0.11 1.20 0.04 -0.78 -1.08 0.00 0.00 178.44 177.93 2mhb h ASP 126 N 0.39 0.64 -0.82 -0.43 1.82 -1.05 -1.01 116.42 115.96 2mhb h ASP 126 Ca -0.04 -0.28 -0.04 0.00 -0.39 0.00 0.00 57.03 56.29 2mhb h ASP 126 Cb 1.33 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 41.13 2mhb h ASP 126 CO 0.14 0.76 0.36 0.11 -1.61 0.00 0.00 179.24 179.00 2mhb h LYS 127 N 0.50 1.20 -0.36 0.28 1.79 -1.16 -0.79 116.57 118.03 2mhb h LYS 127 Ca 0.11 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2mhb h LYS 127 Cb 0.41 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2mhb h LYS 127 CO 0.01 0.95 0.14 0.35 -1.08 0.00 0.00 179.45 179.82 2mhb h PHE 128 N 1.18 0.55 0.00 -1.35 3.57 -0.62 -2.04 116.94 118.23 2mhb h PHE 128 Ca 0.28 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 2mhb h PHE 128 Cb 0.17 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2mhb h PHE 128 CO 0.02 0.51 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.02 2mhb h LEU 129 N 0.43 0.00 -0.83 0.59 3.38 -0.75 -1.06 115.31 117.07 2mhb h LEU 129 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2mhb h LEU 129 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2mhb h LEU 129 CO -0.01 0.53 -0.43 0.28 0.09 0.00 0.00 178.44 178.90 2mhb h SER 130 N 0.00 0.36 0.69 -0.43 0.02 -0.95 -1.93 113.55 111.30 2mhb h SER 130 Ca -0.01 -0.16 -0.20 0.00 -0.84 0.00 0.00 61.79 60.59 2mhb h SER 130 Cb 1.27 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2mhb h SER 130 CO 0.07 0.75 -0.90 0.28 -1.14 0.00 0.00 176.83 175.88 2mhb h SER 131 N 0.28 0.18 -0.33 3.07 0.02 -0.50 -1.56 113.55 114.70 2mhb h SER 131 Ca 0.02 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.64 2mhb h SER 131 Cb 0.87 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2mhb h SER 131 CO 0.07 0.99 -0.48 0.58 -1.14 0.00 0.00 176.83 176.85 2mhb h VAL 132 N 0.07 1.27 -0.52 2.27 2.07 -1.17 -2.88 116.25 117.36 2mhb h VAL 132 Ca -0.04 -1.66 -0.12 0.00 0.82 0.00 0.00 66.70 65.70 2mhb h VAL 132 Cb 1.55 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2mhb h VAL 132 CO 0.13 0.55 -0.15 0.28 0.02 0.00 0.00 177.57 178.39 2mhb h SER 133 N 0.72 1.04 0.12 0.57 0.02 -1.25 -1.73 113.55 113.04 2mhb h SER 133 Ca 0.03 -0.37 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2mhb h SER 133 Cb 1.08 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2mhb h SER 133 CO 0.11 1.17 -0.22 0.74 -1.14 0.00 0.00 176.83 177.49 2mhb h THR 134 N 0.90 1.21 0.03 -2.27 2.02 -1.22 -1.20 112.91 112.38 2mhb h THR 134 Ca 0.13 -0.99 -0.24 0.00 0.77 0.00 0.00 66.41 66.09 2mhb h THR 134 Cb 0.73 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2mhb h THR 134 CO 0.06 0.30 -1.01 0.58 0.37 0.00 0.00 175.52 175.81 2mhb h VAL 135 N 0.17 1.42 0.00 3.16 2.07 -1.27 -2.55 116.25 119.26 2mhb h VAL 135 Ca 0.03 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2mhb h VAL 135 Cb 0.50 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2mhb h VAL 135 CO 0.03 0.77 0.00 0.18 0.02 0.00 0.00 177.57 178.57 2mhb n LEU 136 N -3.70 0.07 -0.17 2.57 4.77 -0.64 -2.63 117.00 117.27 2mhb n LEU 136 Ca -0.07 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 2mhb n LEU 136 Cb 0.88 -0.49 0.12 0.00 -2.33 0.00 0.00 43.42 41.60 2mhb n LEU 136 CO 0.52 -0.09 0.51 0.35 -1.33 0.00 0.00 177.39 177.35 2mhb n THR 137 N -1.57 1.61 0.38 -5.08 -2.24 -0.55 -4.14 114.28 102.70 2mhb n THR 137 Ca 0.06 -1.97 0.13 0.00 -2.27 0.00 0.00 64.05 60.00 2mhb n THR 137 Cb 0.30 -0.12 0.53 0.00 -2.10 0.00 0.00 70.33 68.94 2mhb n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2mhb h SER 138 N 0.05 0.00 -0.05 3.42 4.64 -1.21 -2.11 113.55 118.29 2mhb h SER 138 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2mhb h SER 138 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2mhb h SER 138 CO 0.00 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.13 2mhb n LYS 139 N -2.41 1.20 -0.06 4.77 4.81 -1.26 -3.01 118.16 122.19 2mhb n LYS 139 Ca 0.02 -0.30 -0.06 0.00 -0.87 0.00 0.00 58.31 57.10 2mhb n LYS 139 Cb 0.25 -1.28 -0.02 0.00 0.02 0.00 0.00 35.03 34.00 2mhb n LYS 139 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2mhb n TYR 140 N -0.45 0.00 1.36 5.64 0.53 -0.80 -4.98 117.16 118.46 2mhb n TYR 140 Ca 0.13 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 57.12 2mhb n TYR 140 Cb 0.13 -0.33 0.64 0.00 -1.03 0.00 0.00 39.34 38.75 2mhb n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38