#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mhb n GLN 2 N 0.00 0.00 0.00 7.34 -0.00 -1.26 -4.97 117.38 118.49 2mhb n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2mhb n GLN 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2mhb n GLN 2 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 2mhb n LEU 3 N 0.00 0.00 0.00 2.61 -0.00 -1.26 -4.96 117.00 113.39 2mhb n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2mhb n LEU 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2mhb n LEU 3 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.15 2mhb n SER 4 N 0.00 0.00 -0.02 1.45 2.88 -1.26 -4.90 113.62 111.77 2mhb n SER 4 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2mhb n SER 4 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2mhb n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2mhb n GLY 5 N -1.49 -0.25 0.15 0.46 0.00 -1.26 -3.18 105.19 99.63 2mhb n GLY 5 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2mhb n GLY 5 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2mhb h GLU 6 N 0.00 0.00 -0.01 1.61 4.57 -1.99 -3.06 114.58 115.70 2mhb h GLU 6 Ca -0.08 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 2mhb h GLU 6 Cb 0.88 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2mhb h GLU 6 CO 0.00 0.39 -0.28 0.93 -1.18 0.00 0.00 179.01 178.87 2mhb h GLU 7 N 0.00 0.20 -0.82 1.92 5.08 -1.91 -2.87 114.58 116.18 2mhb h GLU 7 Ca -0.01 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2mhb h GLU 7 Cb 1.31 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 2mhb h GLU 7 CO 0.05 0.93 0.51 0.87 -1.00 0.00 0.00 179.01 180.37 2mhb h LYS 8 N -0.44 1.10 -0.55 2.33 1.57 -1.63 -1.79 116.57 117.16 2mhb h LYS 8 Ca -0.03 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2mhb h LYS 8 Cb 1.02 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 2mhb h LYS 8 CO 0.06 0.76 0.27 0.00 -0.57 0.00 0.00 179.45 179.96 2mhb h ALA 9 N 1.44 1.44 -0.01 3.86 0.00 -1.57 -1.01 119.26 123.39 2mhb h ALA 9 Ca 0.30 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 2mhb h ALA 9 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2mhb h ALA 9 CO -0.06 0.45 -0.76 0.00 0.00 0.00 0.00 179.25 178.88 2mhb h ALA 10 N 1.52 0.70 -0.10 0.00 0.00 -1.12 -2.55 119.26 117.72 2mhb h ALA 10 Ca 0.19 -0.66 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 2mhb h ALA 10 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2mhb h ALA 10 CO -0.03 0.88 -0.76 0.28 0.00 0.00 0.00 179.25 179.62 2mhb h VAL 11 N 0.08 1.34 -0.01 0.00 2.07 -0.88 -2.99 116.25 115.86 2mhb h VAL 11 Ca -0.02 -2.10 -0.23 0.00 0.82 0.00 0.00 66.70 65.16 2mhb h VAL 11 Cb 1.33 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 33.20 2mhb h VAL 11 CO 0.11 0.64 -0.94 -0.07 0.02 0.00 0.00 177.57 177.33 2mhb h LEU 12 N 0.36 0.64 -1.32 2.57 3.38 -1.19 -2.74 115.31 117.01 2mhb h LEU 12 Ca -0.04 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2mhb h LEU 12 Cb 1.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2mhb h LEU 12 CO 0.14 1.29 -0.20 0.00 0.09 0.00 0.00 178.44 179.76 2mhb h ALA 13 N 0.67 1.08 0.13 1.53 0.00 -1.47 -2.55 119.26 118.65 2mhb h ALA 13 Ca -0.09 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.34 2mhb h ALA 13 Cb 1.58 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.36 2mhb h ALA 13 CO 0.17 0.25 -1.26 1.25 0.00 0.00 0.00 179.25 179.66 2mhb h LEU 14 N 0.00 0.80 -1.56 0.00 5.85 -1.42 -3.28 115.31 115.70 2mhb h LEU 14 Ca -0.00 -0.76 -0.04 0.00 0.84 0.00 0.00 57.88 57.92 2mhb h LEU 14 Cb 0.65 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2mhb h LEU 14 CO 0.03 1.57 -0.20 -0.25 -0.34 0.00 0.00 178.44 179.25 2mhb h TRP 15 N 0.23 0.03 -0.94 1.25 2.91 -1.21 0.50 115.95 118.72 2mhb h TRP 15 Ca -0.19 -0.00 0.25 0.00 1.13 0.00 0.00 58.89 60.09 2mhb h TRP 15 Cb 1.94 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 30.53 2mhb h TRP 15 CO 0.11 0.23 0.65 -0.44 -1.03 0.00 0.00 178.44 177.96 2mhb h ASP 16 N 0.03 0.14 -0.20 2.65 3.45 -1.52 -0.59 116.42 120.39 2mhb h ASP 16 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2mhb h ASP 16 Cb 0.37 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 2mhb h ASP 16 CO 0.03 0.05 0.00 0.29 -1.57 0.00 0.00 179.24 178.03 2mhb n LYS 17 N -4.36 1.78 -2.79 3.56 5.02 0.15 -4.93 118.16 116.59 2mhb n LYS 17 Ca 0.20 -1.73 -0.42 0.00 -2.02 0.00 0.00 58.31 54.34 2mhb n LYS 17 Cb 0.92 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.57 2mhb n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2mhb s VAL 18 N -1.15 4.81 -0.54 -0.18 1.01 -0.23 -5.00 120.40 119.11 2mhb s VAL 18 Ca 0.23 1.81 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 2mhb s VAL 18 Cb 0.14 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2mhb s VAL 18 CO 0.20 -0.04 0.79 0.21 0.00 0.00 0.00 175.10 176.26 2mhb s ASN 19 N 1.18 6.26 0.40 3.32 3.84 -1.26 -4.90 114.94 123.78 2mhb s ASN 19 Ca 0.41 -0.72 0.16 0.00 0.21 0.00 0.00 52.86 52.92 2mhb s ASN 19 Cb -0.16 -2.36 0.86 0.00 -0.55 0.00 0.00 41.25 39.04 2mhb s ASN 19 CO 0.11 -1.09 1.87 -0.33 -2.79 0.00 0.00 177.10 174.87 2mhb h GLU 20 N 9.19 0.00 0.33 0.43 5.08 -1.94 0.15 114.58 127.82 2mhb h GLU 20 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2mhb h GLU 20 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2mhb h GLU 20 CO 1.04 0.31 -0.16 1.49 -1.00 0.00 0.00 179.01 180.70 2mhb h GLU 21 N 0.00 -0.42 -0.19 2.33 4.81 -1.90 -1.59 114.58 117.62 2mhb h GLU 21 Ca -0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2mhb h GLU 21 Cb 0.60 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2mhb h GLU 21 CO 0.04 -0.11 0.02 0.93 -0.73 0.00 0.00 179.01 179.16 2mhb h GLU 22 N -0.78 0.32 -0.30 1.92 5.08 -1.80 -1.79 114.58 117.21 2mhb h GLU 22 Ca -0.05 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2mhb h GLU 22 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2mhb h GLU 22 CO 0.07 0.50 -0.27 0.28 -1.00 0.00 0.00 179.01 178.59 2mhb h VAL 23 N 0.09 1.30 -0.28 3.13 2.07 -0.84 -2.85 116.25 118.86 2mhb h VAL 23 Ca 0.05 -1.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.02 2mhb h VAL 23 Cb 0.34 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2mhb h VAL 23 CO 0.01 0.46 -0.36 1.23 0.02 0.00 0.00 177.57 178.93 2mhb h GLY 24 N 0.47 0.68 0.88 2.17 0.00 -1.30 0.45 103.07 106.42 2mhb h GLY 24 Ca 0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2mhb h GLY 24 CO 0.07 0.59 0.02 -1.33 0.00 0.00 0.00 176.54 175.88 2mhb h GLY 25 N 1.01 0.55 1.36 4.60 0.00 -1.35 -1.77 103.07 107.47 2mhb h GLY 25 Ca 0.05 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 2mhb h GLY 25 CO 0.07 0.37 -0.54 -2.09 0.00 0.00 0.00 176.54 174.35 2mhb h GLU 26 N 0.31 0.67 -0.12 4.80 4.81 -1.29 -1.34 114.58 122.43 2mhb h GLU 26 Ca 0.09 -0.42 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2mhb h GLU 26 Cb 0.41 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2mhb h GLU 26 CO 0.01 1.04 -0.03 0.00 -0.73 0.00 0.00 179.01 179.31 2mhb h ALA 27 N 0.87 0.16 -0.55 2.92 0.00 -0.82 0.99 119.26 122.83 2mhb h ALA 27 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2mhb h ALA 27 Cb 1.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2mhb h ALA 27 CO 0.11 -0.10 0.23 1.25 0.00 0.00 0.00 179.25 180.73 2mhb h LEU 28 N -0.09 0.72 -0.15 0.00 6.46 -1.34 -0.78 115.31 120.14 2mhb h LEU 28 Ca 0.03 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.63 2mhb h LEU 28 Cb 0.43 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2mhb h LEU 28 CO 0.01 0.65 -0.22 1.23 -0.62 0.00 0.00 178.44 179.49 2mhb h GLY 29 N 0.91 0.45 0.65 3.75 0.00 -0.61 -2.43 103.07 105.79 2mhb h GLY 29 Ca 0.19 -0.50 0.06 0.00 0.00 0.00 0.00 47.33 47.08 2mhb h GLY 29 CO -0.02 0.45 0.25 3.21 0.00 0.00 0.00 176.54 180.43 2mhb h ARG 30 N 0.03 0.46 -0.91 4.80 -0.00 0.14 -1.17 114.38 117.74 2mhb h ARG 30 Ca 0.02 -0.03 0.08 0.00 -0.50 0.00 0.00 59.98 59.55 2mhb h ARG 30 Cb 0.78 -0.10 -0.07 0.00 0.00 0.00 0.00 29.97 30.58 2mhb h ARG 30 CO 0.05 0.31 0.56 1.25 0.00 0.00 0.00 179.97 182.14 2mhb h LEU 31 N 0.48 0.87 -0.43 3.04 5.85 -0.84 -1.28 115.31 123.00 2mhb h LEU 31 Ca 0.24 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2mhb h LEU 31 Cb 0.19 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2mhb h LEU 31 CO -0.19 0.53 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.35 2mhb h LEU 32 N 0.99 0.00 0.00 2.25 3.38 -0.75 -1.98 115.31 119.21 2mhb h LEU 32 Ca 0.41 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.01 2mhb h LEU 32 Cb 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2mhb h LEU 32 CO -0.20 0.02 -2.40 0.52 0.09 0.00 0.00 178.44 176.47 2mhb n VAL 33 N -3.11 1.41 -0.08 1.22 0.31 -0.78 -3.99 118.33 113.32 2mhb n VAL 33 Ca 0.03 -0.80 -0.14 0.00 -0.01 0.00 0.00 64.34 63.41 2mhb n VAL 33 Cb 0.47 -0.65 -0.09 0.00 -0.91 0.00 0.00 33.84 32.66 2mhb n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2mhb h VAL 34 N 0.00 0.96 -3.28 2.52 2.07 -1.29 -3.40 116.25 113.83 2mhb h VAL 34 Ca -0.55 -1.93 -0.74 0.00 0.82 0.00 0.00 66.70 64.30 2mhb h VAL 34 Cb 2.18 2.02 -0.24 0.00 -1.52 0.00 0.00 31.29 33.73 2mhb h VAL 34 CO 0.01 0.33 -0.34 -0.31 0.02 0.00 0.00 177.57 177.28 2mhb s TYR 35 N -2.20 3.27 -1.26 1.57 2.02 -0.75 -4.95 117.35 115.06 2mhb s TYR 35 Ca -0.20 -1.18 0.28 0.00 -0.37 0.00 0.00 57.07 55.60 2mhb s TYR 35 Cb 0.02 -3.29 1.02 0.00 -0.40 0.00 0.00 41.96 39.31 2mhb s TYR 35 CO 0.50 -0.87 1.75 -0.35 -1.57 0.00 0.00 175.55 175.02 2mhb n PRO 36 N 5.14 0.28 0.16 -1.71 -0.04 -1.26 -3.59 135.00 133.98 2mhb n PRO 36 Ca -0.12 -0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.37 2mhb n PRO 36 Cb 0.43 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.77 2mhb n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2mhb h TRP 37 N 0.24 0.00 0.00 0.54 0.09 -1.92 -2.90 115.95 112.00 2mhb h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2mhb h TRP 37 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.68 2mhb h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2mhb h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.89 -2.79 112.91 109.70 2mhb h THR 38 Ca 0.00 -0.45 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2mhb h THR 38 Cb 0.74 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2mhb h THR 38 CO 0.00 0.00 -0.01 1.56 -0.25 0.00 0.00 175.52 176.82 2mhb h GLN 39 N 0.00 0.00 -0.06 4.72 4.20 -1.73 -2.69 115.11 119.55 2mhb h GLN 39 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2mhb h GLN 39 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2mhb h GLN 39 CO 0.00 0.01 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.03 2mhb h ARG 40 N 0.00 0.09 -0.00 1.46 2.43 -1.70 -1.67 114.38 114.98 2mhb h ARG 40 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2mhb h ARG 40 Cb 0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2mhb h ARG 40 CO 0.00 0.15 -0.21 1.19 -1.51 0.00 0.00 179.97 179.59 2mhb n PHE 41 N -4.43 0.00 -2.09 2.20 3.01 -1.01 -4.02 117.46 111.12 2mhb n PHE 41 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 2mhb n PHE 41 Cb 0.16 -0.36 0.02 0.00 -0.01 0.00 0.00 39.48 39.29 2mhb n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2mhb n PHE 42 N -1.42 2.78 0.09 1.38 3.01 -0.63 -4.80 117.46 117.86 2mhb n PHE 42 Ca 0.07 -2.31 -0.05 0.00 1.01 0.00 0.00 57.45 56.17 2mhb n PHE 42 Cb 0.33 -0.31 0.14 0.00 -0.01 0.00 0.00 39.48 39.62 2mhb n PHE 42 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2mhb h ASP 43 N 2.23 0.27 0.18 4.37 3.32 -1.70 -2.63 116.42 122.47 2mhb h ASP 43 Ca 0.35 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2mhb h ASP 43 Cb 1.47 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2mhb h ASP 43 CO 0.76 0.78 0.00 0.77 -1.72 0.00 0.00 179.24 179.83 2mhb h SER 44 N 0.18 0.00 0.65 6.45 4.64 -1.93 -2.22 113.55 121.32 2mhb h SER 44 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2mhb h SER 44 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2mhb h SER 44 CO 0.09 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.54 2mhb n PHE 45 N -2.87 0.00 0.00 4.77 0.99 -0.99 -5.01 117.46 114.35 2mhb n PHE 45 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2mhb n PHE 45 Cb 0.10 -0.41 0.00 0.00 -1.00 0.00 0.00 39.48 38.17 2mhb n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2mhb n GLY 46 N 0.80 0.96 3.58 1.37 0.00 -0.84 -4.88 105.19 106.18 2mhb n GLY 46 Ca 0.08 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2mhb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2mhb s ASP 47 N -4.00 6.17 -0.17 1.61 3.68 -1.26 -4.84 116.67 117.87 2mhb s ASP 47 Ca 0.00 0.25 0.14 0.00 2.13 0.00 0.00 52.55 55.06 2mhb s ASP 47 Cb 0.00 -2.55 0.40 0.00 -1.45 0.00 0.00 42.92 39.32 2mhb s ASP 47 CO 0.00 -1.68 1.20 0.18 0.13 0.00 0.00 175.17 175.00 2mhb n LEU 48 N 9.41 2.38 0.26 -1.34 4.77 -1.26 -4.32 117.00 126.90 2mhb n LEU 48 Ca 0.12 -3.49 0.16 0.00 -0.03 0.00 0.00 56.01 52.77 2mhb n LEU 48 Cb 0.49 -0.44 0.63 0.00 -2.33 0.00 0.00 43.42 41.77 2mhb n LEU 48 CO 0.71 1.18 0.97 0.28 -1.33 0.00 0.00 177.39 179.20 2mhb h SER 49 N 0.86 0.00 -5.05 -1.43 0.02 -1.94 -3.46 113.55 102.55 2mhb h SER 49 Ca -0.03 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 2mhb h SER 49 Cb 1.13 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 2mhb h SER 49 CO 0.01 0.00 -0.26 0.54 -1.14 0.00 0.00 176.83 175.98 2mhb s ASN 50 N -5.63 -0.11 0.39 3.07 2.20 -1.26 -5.07 114.94 108.53 2mhb s ASN 50 Ca 0.02 -0.20 0.21 0.00 -0.94 0.00 0.00 52.86 51.96 2mhb s ASN 50 Cb 0.09 0.35 1.24 0.00 -2.00 0.00 0.00 41.25 40.93 2mhb s ASN 50 CO 0.54 -0.61 1.66 -0.65 -2.94 0.00 0.00 177.10 175.11 2mhb h PRO 51 N 3.25 0.21 -0.28 3.55 0.10 -1.98 0.16 132.00 137.02 2mhb h PRO 51 Ca -0.32 -0.01 -0.12 0.00 0.10 0.00 0.00 66.00 65.65 2mhb h PRO 51 Cb 1.20 -0.05 -0.00 0.00 0.10 0.00 0.00 31.00 32.25 2mhb h PRO 51 CO 0.46 0.14 -0.30 0.78 0.10 0.00 0.00 178.00 179.18 2mhb h GLY 52 N 0.22 0.76 2.00 -0.55 0.00 -1.99 -2.73 103.07 100.77 2mhb h GLY 52 Ca 0.75 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2mhb h GLY 52 CO -0.50 0.71 -0.42 0.00 0.00 0.00 0.00 176.54 176.33 2mhb h ALA 53 N 0.69 0.95 0.36 3.60 0.00 -1.03 -2.38 119.26 121.46 2mhb h ALA 53 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2mhb h ALA 53 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2mhb h ALA 53 CO 0.07 0.53 -0.17 0.28 0.00 0.00 0.00 179.25 179.96 2mhb h VAL 54 N 0.00 0.32 0.00 0.00 2.07 -1.43 -2.90 116.25 114.31 2mhb h VAL 54 Ca -0.00 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2mhb h VAL 54 Cb 0.98 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2mhb h VAL 54 CO 0.06 0.08 -0.17 0.24 0.02 0.00 0.00 177.57 177.79 2mhb h MET 55 N -1.03 0.00 -0.21 1.57 2.86 -1.51 -0.19 114.93 116.42 2mhb h MET 55 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2mhb h MET 55 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2mhb h MET 55 CO 0.08 0.17 0.00 0.41 1.06 0.00 0.00 176.91 178.63 2mhb n GLY 56 N -0.91 0.82 3.68 8.32 0.00 -0.90 -4.89 105.19 111.31 2mhb n GLY 56 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2mhb n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2mhb s ASN 57 N -1.62 7.10 0.47 1.61 3.84 -0.09 -4.93 114.94 121.32 2mhb s ASN 57 Ca 0.34 1.35 0.23 0.00 0.21 0.00 0.00 52.86 55.00 2mhb s ASN 57 Cb 0.20 -2.51 1.17 0.00 -0.55 0.00 0.00 41.25 39.56 2mhb s ASN 57 CO 0.29 -0.47 1.97 -0.65 -2.79 0.00 0.00 177.10 175.45 2mhb h PRO 58 N 7.26 0.00 0.05 0.43 0.11 -1.91 -1.49 132.00 136.45 2mhb h PRO 58 Ca -0.28 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.60 2mhb h PRO 58 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2mhb h PRO 58 CO 0.87 0.20 -1.05 0.87 -0.21 0.00 0.00 178.00 178.68 2mhb h LYS 59 N 0.00 0.17 -0.44 1.05 1.79 -1.91 -1.54 116.57 115.69 2mhb h LYS 59 Ca -0.00 -0.25 -0.07 0.00 -2.18 0.00 0.00 60.65 58.15 2mhb h LYS 59 Cb 0.48 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2mhb h LYS 59 CO 0.03 1.07 -0.01 0.28 -1.08 0.00 0.00 179.45 179.74 2mhb h VAL 60 N 0.07 1.26 -0.40 0.50 2.07 -1.62 -0.29 116.25 117.84 2mhb h VAL 60 Ca -0.07 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 2mhb h VAL 60 Cb 1.75 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2mhb h VAL 60 CO 0.16 0.36 -0.08 0.50 0.02 0.00 0.00 177.57 178.53 2mhb h LYS 61 N 0.63 0.75 -0.34 1.57 3.64 -1.23 -0.72 116.57 120.87 2mhb h LYS 61 Ca 0.12 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 59.06 2mhb h LYS 61 Cb 0.50 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2mhb h LYS 61 CO 0.02 0.88 -0.46 0.00 -2.27 0.00 0.00 179.45 177.63 2mhb h ALA 62 N 0.85 0.55 -0.10 5.00 0.00 -1.11 -2.34 119.26 122.11 2mhb h ALA 62 Ca 0.10 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2mhb h ALA 62 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2mhb h ALA 62 CO 0.04 0.68 -0.54 1.25 0.00 0.00 0.00 179.25 180.68 2mhb h HIS 63 N 0.71 0.36 -0.46 0.00 -0.00 -0.97 -2.73 115.15 112.06 2mhb h HIS 63 Ca 0.04 -0.13 -0.08 0.00 -0.00 0.00 0.00 60.37 60.21 2mhb h HIS 63 Cb 1.05 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.37 2mhb h HIS 63 CO 0.06 0.77 -0.04 0.78 -0.00 0.00 0.00 177.93 179.50 2mhb h GLY 64 N 1.34 0.83 1.34 5.26 0.00 -0.92 -0.56 103.07 110.37 2mhb h GLY 64 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 2mhb h GLY 64 CO 0.09 0.54 -0.28 1.70 0.00 0.00 0.00 176.54 178.58 2mhb h LYS 65 N 0.72 0.74 -0.17 4.80 3.11 -1.17 -0.94 116.57 123.66 2mhb h LYS 65 Ca 0.13 -0.33 -0.14 0.00 -2.81 0.00 0.00 60.65 57.51 2mhb h LYS 65 Cb 0.50 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 2mhb h LYS 65 CO 0.03 0.94 -0.49 0.87 -2.81 0.00 0.00 179.45 177.99 2mhb h LYS 66 N 0.64 0.44 -0.23 1.90 1.79 -1.02 -0.68 116.57 119.41 2mhb h LYS 66 Ca 0.08 -0.25 -0.10 0.00 -2.18 0.00 0.00 60.65 58.20 2mhb h LYS 66 Cb 0.80 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 2mhb h LYS 66 CO 0.07 0.83 -0.24 0.28 -1.08 0.00 0.00 179.45 179.31 2mhb h VAL 67 N 0.35 1.32 0.00 0.50 2.07 -0.58 -2.77 116.25 117.14 2mhb h VAL 67 Ca 0.02 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2mhb h VAL 67 Cb 0.98 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2mhb h VAL 67 CO 0.09 0.43 -0.08 -0.07 0.02 0.00 0.00 177.57 177.96 2mhb h LEU 68 N 0.25 0.00 -0.34 2.57 -0.00 -0.97 -0.89 115.31 115.93 2mhb h LEU 68 Ca 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.76 2mhb h LEU 68 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2mhb h LEU 68 CO 0.06 0.08 -0.40 -0.74 -0.00 0.00 0.00 178.44 177.44 2mhb h HIS 69 N 0.00 1.05 0.01 1.13 2.76 -1.01 -1.74 115.15 117.34 2mhb h HIS 69 Ca -0.00 -0.33 -0.20 0.00 -2.20 0.00 0.00 60.37 57.64 2mhb h HIS 69 Cb 0.76 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 2mhb h HIS 69 CO 0.00 1.14 -0.89 0.66 -1.30 0.00 0.00 177.93 177.54 2mhb h SER 70 N 0.65 0.19 -0.99 3.26 4.64 -1.17 -1.89 113.55 118.24 2mhb h SER 70 Ca 0.05 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.25 2mhb h SER 70 Cb 0.99 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.96 2mhb h SER 70 CO 0.10 0.98 0.65 -0.26 -0.87 0.00 0.00 176.83 177.43 2mhb h PHE 71 N 0.08 1.21 -0.05 4.77 -1.00 -1.13 -1.16 116.94 119.65 2mhb h PHE 71 Ca -0.04 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 2mhb h PHE 71 Cb 1.53 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 2mhb h PHE 71 CO 0.02 0.67 -0.43 0.78 -1.61 0.00 0.00 178.31 177.75 2mhb h GLY 72 N 1.22 0.12 2.00 -1.45 0.00 -0.55 -0.42 103.07 103.99 2mhb h GLY 72 Ca 0.41 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.50 2mhb h GLY 72 CO -0.14 0.11 -0.60 0.83 0.00 0.00 0.00 176.54 176.74 2mhb h GLU 73 N 0.10 0.00 -0.27 4.80 4.39 -0.73 -2.03 114.58 120.84 2mhb h GLU 73 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2mhb h GLU 73 Cb 0.80 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2mhb h GLU 73 CO 0.06 0.60 0.08 0.78 -1.16 0.00 0.00 179.01 179.36 2mhb h GLY 74 N 2.14 0.46 2.00 -3.84 0.00 0.06 -2.42 103.07 101.47 2mhb h GLY 74 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 2mhb h GLY 74 CO 0.08 0.26 -0.50 -2.08 0.00 0.00 0.00 176.54 174.30 2mhb h VAL 75 N 0.27 1.32 -0.01 4.60 2.07 -0.66 -0.82 116.25 123.01 2mhb h VAL 75 Ca 0.09 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2mhb h VAL 75 Cb 0.26 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2mhb h VAL 75 CO -0.00 0.49 -0.15 1.41 0.02 0.00 0.00 177.57 179.34 2mhb n HIS 76 N -3.89 0.00 -2.56 1.57 -0.00 -0.81 -4.18 115.22 105.34 2mhb n HIS 76 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 2mhb n HIS 76 Cb 0.52 -0.09 0.03 0.00 -0.00 0.00 0.00 29.99 30.45 2mhb n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2mhb n HIS 77 N -0.46 1.84 0.27 4.41 8.25 -0.35 -4.92 115.22 124.27 2mhb n HIS 77 Ca 0.15 -2.40 0.16 0.00 -0.26 0.00 0.00 57.72 55.37 2mhb n HIS 77 Cb 0.33 -0.27 0.90 0.00 1.12 0.00 0.00 29.99 32.08 2mhb n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2mhb h LEU 78 N 2.58 0.00 -2.00 2.41 3.38 -1.64 -1.07 115.31 118.97 2mhb h LEU 78 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2mhb h LEU 78 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2mhb h LEU 78 CO 0.46 0.00 -0.10 0.44 0.09 0.00 0.00 178.44 179.34 2mhb h ASP 79 N 0.00 0.00 -1.86 -0.43 3.45 -1.91 -2.32 116.42 113.36 2mhb h ASP 79 Ca 0.03 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 57.02 2mhb h ASP 79 Cb 0.16 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.53 2mhb h ASP 79 CO -0.00 0.10 -1.18 -3.20 -1.57 0.00 0.00 179.24 173.38 2mhb n ASN 80 N -3.60 1.04 -0.26 6.45 4.05 -0.41 -4.72 115.26 117.81 2mhb n ASN 80 Ca -0.02 -2.99 -0.05 0.00 0.45 0.00 0.00 54.58 51.97 2mhb n ASN 80 Cb 0.22 -0.60 0.06 0.00 1.23 0.00 0.00 39.78 40.68 2mhb n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2mhb h LEU 81 N 3.00 0.86 -0.94 1.20 4.07 -1.70 -1.95 115.31 119.86 2mhb h LEU 81 Ca 0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2mhb h LEU 81 Cb 0.99 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 2mhb h LEU 81 CO 0.51 0.68 -0.20 0.11 -1.08 0.00 0.00 178.44 178.46 2mhb h LYS 82 N 0.98 0.00 0.05 1.13 1.57 -1.90 -2.10 116.57 116.29 2mhb h LYS 82 Ca 0.26 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.74 2mhb h LYS 82 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2mhb h LYS 82 CO -0.05 0.20 -1.60 0.78 -0.57 0.00 0.00 179.45 178.21 2mhb h GLY 83 N 2.41 0.11 1.59 3.86 0.00 -1.88 -3.24 103.07 105.92 2mhb h GLY 83 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 2mhb h GLY 83 CO 0.03 0.25 -0.37 -0.84 0.00 0.00 0.00 176.54 175.61 2mhb h THR 84 N 0.03 1.30 -0.08 4.70 2.02 -0.69 -3.27 112.91 116.91 2mhb h THR 84 Ca -0.25 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.43 2mhb h THR 84 Cb 1.98 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2mhb h THR 84 CO 0.11 0.46 0.00 0.49 0.37 0.00 0.00 175.52 176.95 2mhb n PHE 85 N -4.05 0.08 -0.13 3.16 3.01 -0.97 -4.65 117.46 113.91 2mhb n PHE 85 Ca -0.01 -0.05 -0.04 0.00 1.01 0.00 0.00 57.45 58.35 2mhb n PHE 85 Cb 0.48 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.97 2mhb n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2mhb h ALA 86 N 3.78 0.26 -0.92 4.37 0.00 -1.61 0.29 119.26 125.43 2mhb h ALA 86 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2mhb h ALA 86 Cb 0.82 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2mhb h ALA 86 CO 0.00 -0.47 0.60 0.00 0.00 0.00 0.00 179.25 179.38 2mhb h ALA 87 N 1.39 1.17 0.00 0.00 0.00 -1.85 -2.22 119.26 117.75 2mhb h ALA 87 Ca 0.21 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2mhb h ALA 87 Cb 0.34 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2mhb h ALA 87 CO -0.45 0.59 -0.55 -0.07 0.00 0.00 0.00 179.25 178.76 2mhb h LEU 88 N 1.25 0.00 -0.63 0.00 3.38 -1.22 -2.24 115.31 115.84 2mhb h LEU 88 Ca 0.34 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 2mhb h LEU 88 Cb -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2mhb h LEU 88 CO -0.07 0.55 -0.59 -1.28 0.09 0.00 0.00 178.44 177.14 2mhb h SER 89 N 0.00 0.34 0.22 -0.43 0.87 0.05 -1.77 113.55 112.81 2mhb h SER 89 Ca -0.01 -0.19 -0.21 0.00 -1.23 0.00 0.00 61.79 60.16 2mhb h SER 89 Cb 1.11 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2mhb h SER 89 CO 0.07 0.85 -0.82 -0.08 -0.53 0.00 0.00 176.83 176.32 2mhb h GLU 90 N 0.22 0.48 -0.46 2.24 4.81 -1.16 -2.43 114.58 118.28 2mhb h GLU 90 Ca -0.00 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 2mhb h GLU 90 Cb 1.10 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2mhb h GLU 90 CO 0.10 1.07 0.11 1.25 -0.73 0.00 0.00 179.01 180.81 2mhb h LEU 91 N 0.30 0.70 -0.48 1.64 5.85 -1.21 -0.95 115.31 121.17 2mhb h LEU 91 Ca -0.05 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 2mhb h LEU 91 Cb 1.43 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2mhb h LEU 91 CO 0.15 0.75 -0.54 0.45 -0.34 0.00 0.00 178.44 178.91 2mhb h HIS 92 N 0.62 0.00 0.00 1.25 3.86 -1.31 -2.24 115.15 117.32 2mhb h HIS 92 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2mhb h HIS 92 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2mhb h HIS 92 CO 0.02 0.54 -0.48 0.00 0.86 0.00 0.00 177.93 178.87 2mhb h ASP 94 N -0.57 0.97 0.00 0.00 3.45 -1.36 -3.03 116.42 115.88 2mhb h ASP 94 Ca 0.00 -0.09 -0.21 0.00 0.43 0.00 0.00 57.03 57.17 2mhb h ASP 94 Cb 0.48 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 2mhb h ASP 94 CO 0.00 0.77 -1.32 1.17 -1.57 0.00 0.00 179.24 178.29 2mhb n LYS 95 N -4.44 0.54 0.08 3.56 0.00 -1.14 -4.66 118.16 112.09 2mhb n LYS 95 Ca 0.07 0.47 0.11 0.00 0.00 0.00 0.00 58.31 58.97 2mhb n LYS 95 Cb 0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.41 2mhb n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2mhb n LEU 96 N -4.44 0.65 -3.28 3.14 4.77 -0.86 -5.01 117.00 111.97 2mhb n LEU 96 Ca -0.29 0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 2mhb n LEU 96 Cb 0.61 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 2mhb n LEU 96 CO 0.14 -0.14 0.10 1.41 -1.33 0.00 0.00 177.39 177.57 2mhb n HIS 97 N -2.59 -2.08 -3.27 -1.77 8.25 -0.64 -4.98 115.22 108.14 2mhb n HIS 97 Ca -0.01 0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 57.94 2mhb n HIS 97 Cb 0.56 -4.85 -0.07 0.00 1.12 0.00 0.00 29.99 26.76 2mhb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2mhb s VAL 98 N -3.34 5.11 0.33 1.59 1.01 -0.61 -5.03 120.40 119.46 2mhb s VAL 98 Ca 0.03 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 2mhb s VAL 98 Cb -0.00 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 2mhb s VAL 98 CO 0.69 0.17 1.54 -0.62 0.00 0.00 0.00 175.10 176.88 2mhb s ASP 99 N 1.20 6.37 0.23 3.32 2.15 -1.26 -4.77 116.67 123.90 2mhb s ASP 99 Ca 0.23 2.99 0.24 0.00 0.43 0.00 0.00 52.55 56.44 2mhb s ASP 99 Cb -0.15 -2.65 0.93 0.00 -0.30 0.00 0.00 42.92 40.74 2mhb s ASP 99 CO 0.09 -0.89 1.72 -2.65 -0.17 0.00 0.00 175.17 173.28 2mhb n PRO 100 N 1.39 0.20 0.08 4.34 -0.02 -1.26 -1.67 135.00 138.06 2mhb n PRO 100 Ca 0.05 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.07 2mhb n PRO 100 Cb 0.38 -1.83 0.73 0.00 -0.02 0.00 0.00 33.50 32.76 2mhb n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2mhb h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -1.98 -1.41 114.58 115.24 2mhb h GLU 101 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2mhb h GLU 101 Cb 0.46 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2mhb h GLU 101 CO 0.00 0.00 -0.06 -0.91 -1.18 0.00 0.00 179.01 176.86 2mhb h ASN 102 N 0.00 0.00 -0.19 1.04 2.35 -1.70 -2.52 115.58 114.57 2mhb h ASN 102 Ca 0.19 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 2mhb h ASN 102 Cb 0.84 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 2mhb h ASN 102 CO -0.00 0.06 -0.24 -0.26 -1.65 0.00 0.00 177.43 175.34 2mhb h PHE 103 N 0.00 0.73 -0.25 1.19 0.04 -1.43 -1.48 116.94 115.74 2mhb h PHE 103 Ca -0.00 -0.16 -0.17 0.00 2.80 0.00 0.00 57.97 60.43 2mhb h PHE 103 Cb 1.01 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.98 2mhb h PHE 103 CO 0.00 0.83 -0.55 -0.09 -0.60 0.00 0.00 178.31 177.90 2mhb h ARG 104 N 0.57 0.74 -0.29 1.51 2.43 -1.49 -2.04 114.38 115.80 2mhb h ARG 104 Ca 0.08 -0.46 -0.05 0.00 -0.81 0.00 0.00 59.98 58.73 2mhb h ARG 104 Cb 0.71 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2mhb h ARG 104 CO 0.05 1.09 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.52 2mhb h LEU 105 N 0.57 0.52 -1.24 3.80 3.38 -1.18 -1.38 115.31 119.77 2mhb h LEU 105 Ca 0.01 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 2mhb h LEU 105 Cb 1.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2mhb h LEU 105 CO 0.11 0.72 -0.25 0.25 0.09 0.00 0.00 178.44 179.36 2mhb h LEU 106 N 0.31 0.19 -0.35 1.67 5.85 -1.18 -1.74 115.31 120.06 2mhb h LEU 106 Ca 0.08 -0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.56 2mhb h LEU 106 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2mhb h LEU 106 CO 0.02 0.46 -0.81 1.23 -0.34 0.00 0.00 178.44 179.00 2mhb h GLY 107 N 0.94 0.32 1.05 3.75 0.00 -0.94 -0.79 103.07 107.40 2mhb h GLY 107 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 2mhb h GLY 107 CO 0.04 0.44 -0.49 3.43 0.00 0.00 0.00 176.54 179.96 2mhb h ASN 108 N 0.18 0.85 -0.57 0.19 2.35 -0.91 -1.92 115.58 115.75 2mhb h ASN 108 Ca -0.04 -0.54 -0.08 0.00 -0.55 0.00 0.00 56.30 55.08 2mhb h ASN 108 Cb 1.40 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 2mhb h ASN 108 CO 0.13 1.24 0.06 1.62 -1.65 0.00 0.00 177.43 178.82 2mhb h VAL 109 N 0.50 1.26 -0.87 2.81 3.04 -1.25 -1.59 116.25 120.15 2mhb h VAL 109 Ca 0.01 -1.05 0.09 0.00 -1.01 0.00 0.00 66.70 64.74 2mhb h VAL 109 Cb 1.10 0.74 -0.07 0.00 -2.01 0.00 0.00 31.29 31.04 2mhb h VAL 109 CO 0.11 0.38 0.52 0.25 -1.01 0.00 0.00 177.57 177.82 2mhb h LEU 110 N 0.93 0.77 -0.91 3.16 6.46 -0.93 -0.90 115.31 123.89 2mhb h LEU 110 Ca 0.18 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.87 2mhb h LEU 110 Cb 0.46 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2mhb h LEU 110 CO 0.02 0.46 -0.32 0.58 -0.62 0.00 0.00 178.44 178.55 2mhb h VAL 111 N 0.89 1.28 -0.05 1.05 2.07 -0.51 -1.72 116.25 119.26 2mhb h VAL 111 Ca 0.41 -1.38 -0.15 0.00 0.82 0.00 0.00 66.70 66.39 2mhb h VAL 111 Cb 0.31 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2mhb h VAL 111 CO -0.22 0.43 -0.64 0.58 0.02 0.00 0.00 177.57 177.74 2mhb h VAL 112 N 0.35 1.41 -0.01 2.57 2.07 -0.38 -1.73 116.25 120.53 2mhb h VAL 112 Ca 0.04 -2.07 -0.26 0.00 0.82 0.00 0.00 66.70 65.23 2mhb h VAL 112 Cb 0.74 2.07 0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2mhb h VAL 112 CO 0.06 0.61 -1.02 0.58 0.02 0.00 0.00 177.57 177.81 2mhb h VAL 113 N 0.15 1.28 -0.49 2.57 2.07 -0.84 -0.72 116.25 120.26 2mhb h VAL 113 Ca -0.01 -2.22 -0.04 0.00 0.82 0.00 0.00 66.70 65.25 2mhb h VAL 113 Cb 1.15 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 2mhb h VAL 113 CO 0.10 0.69 0.16 -0.07 0.02 0.00 0.00 177.57 178.46 2mhb h LEU 114 N 0.40 0.66 -0.39 2.57 3.38 -1.20 0.21 115.31 120.94 2mhb h LEU 114 Ca -0.12 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 2mhb h LEU 114 Cb 1.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2mhb h LEU 114 CO 0.20 0.63 -0.32 0.00 0.09 0.00 0.00 178.44 179.04 2mhb h ALA 115 N 1.47 0.57 -0.67 1.53 0.00 -1.00 -1.06 119.26 120.10 2mhb h ALA 115 Ca 0.17 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2mhb h ALA 115 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2mhb h ALA 115 CO -0.01 0.62 0.10 -0.09 0.00 0.00 0.00 179.25 179.87 2mhb h ARG 116 N 0.73 1.11 0.02 0.00 2.43 -0.05 -1.49 114.38 117.13 2mhb h ARG 116 Ca 0.07 -0.31 -0.21 0.00 -0.81 0.00 0.00 59.98 58.72 2mhb h ARG 116 Cb 0.90 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2mhb h ARG 116 CO 0.08 1.02 -0.94 0.45 -1.51 0.00 0.00 179.97 179.08 2mhb h HIS 117 N 1.04 0.37 0.00 2.20 3.86 -0.75 -3.36 115.15 118.51 2mhb h HIS 117 Ca 0.20 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2mhb h HIS 117 Cb 0.46 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2mhb h HIS 117 CO 0.03 1.05 -1.09 1.19 0.86 0.00 0.00 177.93 179.97 2mhb n PHE 118 N -3.65 0.00 -0.38 2.45 3.01 -0.42 -5.05 117.46 113.41 2mhb n PHE 118 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 2mhb n PHE 118 Cb 0.84 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 2mhb n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2mhb n GLY 119 N 1.43 3.41 0.00 1.37 0.00 -0.56 -1.99 105.19 108.85 2mhb n GLY 119 Ca 0.01 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2mhb n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mhb n LYS 120 N 14.00 0.01 0.22 1.61 5.02 -1.26 -0.91 118.16 136.86 2mhb n LYS 120 Ca 0.00 0.29 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 2mhb n LYS 120 Cb 0.00 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.74 2mhb n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2mhb h ASP 121 N 0.00 0.00 -2.31 4.39 3.32 -1.80 -3.35 116.42 116.67 2mhb h ASP 121 Ca 0.00 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.29 2mhb h ASP 121 Cb 0.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.55 2mhb h ASP 121 CO 0.00 0.03 1.29 0.33 -1.72 0.00 0.00 179.24 179.17 2mhb n PHE 122 N -3.11 4.42 -0.81 4.55 7.35 -0.09 -4.98 117.46 124.80 2mhb n PHE 122 Ca 0.03 -3.29 -0.31 0.00 -0.76 0.00 0.00 57.45 53.13 2mhb n PHE 122 Cb 0.51 -1.99 0.15 0.00 0.35 0.00 0.00 39.48 38.51 2mhb n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2mhb s THR 123 N 0.49 2.31 0.37 -2.13 -4.23 -1.26 -4.74 115.64 106.45 2mhb s THR 123 Ca 0.39 0.10 0.09 0.00 -1.18 0.00 0.00 61.69 61.09 2mhb s THR 123 Cb -0.01 -2.22 0.32 0.00 1.34 0.00 0.00 72.50 71.93 2mhb s THR 123 CO -0.00 -0.13 1.91 1.55 -0.54 0.00 0.00 174.62 177.40 2mhb h PRO 124 N -1.75 0.66 0.02 3.99 0.13 -1.94 0.26 132.00 133.36 2mhb h PRO 124 Ca -0.44 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 2mhb h PRO 124 Cb 1.26 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2mhb h PRO 124 CO 0.44 0.44 -0.98 0.93 -0.23 0.00 0.00 178.00 178.59 2mhb h GLU 125 N 0.68 0.40 -0.10 0.86 5.08 -1.99 -1.24 114.58 118.27 2mhb h GLU 125 Ca 0.39 -0.45 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2mhb h GLU 125 Cb 0.58 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2mhb h GLU 125 CO -0.16 1.12 -0.53 1.25 -1.00 0.00 0.00 179.01 179.69 2mhb h LEU 126 N 0.21 0.30 -0.79 1.33 6.46 -1.57 -2.79 115.31 118.47 2mhb h LEU 126 Ca -0.09 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.42 2mhb h LEU 126 Cb 1.63 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.45 2mhb h LEU 126 CO 0.17 0.78 -0.11 -0.61 -0.62 0.00 0.00 178.44 178.05 2mhb h GLN 127 N 0.22 0.80 -0.45 1.25 4.15 -0.42 -2.44 115.11 118.21 2mhb h GLN 127 Ca 0.00 -0.27 0.05 0.00 0.77 0.00 0.00 58.65 59.20 2mhb h GLN 127 Cb 1.01 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 2mhb h GLN 127 CO 0.08 0.88 0.19 0.00 -1.93 0.00 0.00 178.83 178.05 2mhb h ALA 128 N 1.15 0.55 -0.41 3.38 0.00 -0.97 0.24 119.26 123.21 2mhb h ALA 128 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2mhb h ALA 128 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2mhb h ALA 128 CO 0.04 -0.18 -0.02 0.77 0.00 0.00 0.00 179.25 179.86 2mhb h SER 129 N 0.39 0.72 0.57 0.00 0.02 -1.31 -2.67 113.55 111.27 2mhb h SER 129 Ca 0.20 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2mhb h SER 129 Cb 0.15 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2mhb h SER 129 CO -0.17 0.86 -0.27 1.88 -1.14 0.00 0.00 176.83 177.99 2mhb h TYR 130 N 0.56 0.00 -0.69 3.45 0.05 -0.81 -1.07 116.97 118.46 2mhb h TYR 130 Ca 0.11 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 2mhb h TYR 130 Cb 0.50 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 2mhb h TYR 130 CO 0.04 0.27 0.13 1.96 -1.05 0.00 0.00 178.16 179.50 2mhb h GLN 131 N 0.00 1.13 -0.24 4.88 1.08 -0.24 0.14 115.11 121.86 2mhb h GLN 131 Ca -0.00 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 56.88 2mhb h GLN 131 Cb 0.63 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2mhb h GLN 131 CO 0.03 1.02 0.08 0.87 -0.95 0.00 0.00 178.83 179.88 2mhb h LYS 132 N 1.06 0.37 -0.60 1.46 1.57 -0.95 -1.35 116.57 118.13 2mhb h LYS 132 Ca 0.21 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2mhb h LYS 132 Cb 0.43 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2mhb h LYS 132 CO 0.01 0.45 0.26 0.28 -0.57 0.00 0.00 179.45 179.88 2mhb h VAL 133 N 0.22 1.22 -0.10 0.50 2.07 -0.99 0.10 116.25 119.27 2mhb h VAL 133 Ca 0.08 -0.67 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 2mhb h VAL 133 Cb 0.23 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2mhb h VAL 133 CO -0.00 0.27 -0.61 0.58 0.02 0.00 0.00 177.57 177.82 2mhb h VAL 134 N 0.83 1.37 -0.31 2.57 2.07 -0.87 -0.30 116.25 121.62 2mhb h VAL 134 Ca 0.20 -1.96 -0.16 0.00 0.82 0.00 0.00 66.70 65.61 2mhb h VAL 134 Cb 0.17 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2mhb h VAL 134 CO -0.02 0.59 -0.43 0.00 0.02 0.00 0.00 177.57 177.73 2mhb h ALA 135 N 1.08 0.66 -0.56 1.67 0.00 -0.79 -1.70 119.26 119.63 2mhb h ALA 135 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2mhb h ALA 135 Cb 1.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2mhb h ALA 135 CO 0.10 0.67 0.36 0.78 0.00 0.00 0.00 179.25 181.17 2mhb h GLY 136 N 0.89 0.79 1.03 0.00 0.00 0.29 -1.36 103.07 104.71 2mhb h GLY 136 Ca 0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 2mhb h GLY 136 CO 0.09 0.27 -0.11 -2.08 0.00 0.00 0.00 176.54 174.72 2mhb h VAL 137 N 0.74 1.27 -0.36 4.60 2.07 -0.91 -1.63 116.25 122.04 2mhb h VAL 137 Ca 0.21 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 2mhb h VAL 137 Cb -0.07 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2mhb h VAL 137 CO -0.05 0.42 -0.13 0.00 0.02 0.00 0.00 177.57 177.83 2mhb h ALA 138 N 0.88 1.12 -0.02 1.67 0.00 -0.99 -0.72 119.26 121.19 2mhb h ALA 138 Ca 0.12 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 2mhb h ALA 138 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2mhb h ALA 138 CO 0.05 0.55 -0.81 -0.91 0.00 0.00 0.00 179.25 178.13 2mhb h ASN 139 N 0.57 0.31 1.13 0.00 2.35 -1.09 -2.27 115.58 116.59 2mhb h ASN 139 Ca 0.10 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 2mhb h ASN 139 Cb 0.55 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2mhb h ASN 139 CO 0.03 0.99 -0.23 0.00 -1.65 0.00 0.00 177.43 176.57 2mhb h ALA 140 N 0.99 0.96 0.00 -0.83 0.00 -0.64 -2.25 119.26 117.49 2mhb h ALA 140 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2mhb h ALA 140 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2mhb h ALA 140 CO 0.13 0.29 -0.87 -0.07 0.00 0.00 0.00 179.25 178.73 2mhb h LEU 141 N 0.00 0.00 0.00 0.00 3.38 -1.06 -3.25 115.31 114.38 2mhb h LEU 141 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2mhb h LEU 141 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2mhb h LEU 141 CO 0.03 0.05 -0.34 0.00 0.09 0.00 0.00 178.44 178.27 2mhb h ALA 142 N 2.22 0.80 -3.00 1.53 0.00 -1.11 -3.41 119.26 116.29 2mhb h ALA 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2mhb h ALA 142 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2mhb h ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.83 2mhb n HIS 143 N -2.50 0.00 0.00 0.00 -0.00 -0.87 -3.63 115.22 108.21 2mhb n HIS 143 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2mhb n HIS 143 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2mhb n HIS 143 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2mhb n LYS 144 N 0.00 0.00 0.10 1.57 4.81 -1.26 -3.60 118.16 119.77 2mhb n LYS 144 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 2mhb n LYS 144 Cb 0.00 -0.30 -0.07 0.00 0.02 0.00 0.00 35.03 34.68 2mhb n LYS 144 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2mhb h TYR 145 N 1.70 -0.29 -0.02 5.64 5.03 -1.87 -3.39 116.97 123.78 2mhb h TYR 145 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2mhb h TYR 145 Cb 0.00 0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.38 2mhb h TYR 145 CO 0.00 0.09 0.00 -2.39 -1.32 0.00 0.00 178.16 174.54