#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bno n LYS 5 N 0.00 0.00 -0.06 1.09 3.00 -1.26 -4.82 118.16 116.12 2bno n LYS 5 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2bno n LYS 5 Cb 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 35.03 34.57 2bno n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2bno h THR 6 N 0.00 0.95 -0.07 3.15 1.03 -2.02 0.24 112.91 116.19 2bno h THR 6 Ca 0.00 -0.07 -0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2bno h THR 6 Cb 0.26 0.73 -0.00 0.00 -1.07 0.00 0.00 68.15 68.06 2bno h THR 6 CO 0.00 0.04 0.04 0.00 -0.01 0.00 0.00 175.52 175.59 2bno h ALA 7 N 1.14 0.09 -0.32 0.00 0.00 -1.98 0.11 119.26 118.29 2bno h ALA 7 Ca 0.10 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2bno h ALA 7 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2bno h ALA 7 CO -0.10 -0.38 -0.40 0.66 0.00 0.00 0.00 179.25 179.02 2bno h SER 8 N 0.04 0.84 -0.39 0.00 4.64 -1.83 0.11 113.55 116.97 2bno h SER 8 Ca 0.03 -0.39 -0.15 0.00 -0.47 0.00 0.00 61.79 60.80 2bno h SER 8 Cb 0.05 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2bno h SER 8 CO -0.00 1.14 -0.35 0.74 -0.87 0.00 0.00 176.83 177.48 2bno h THR 9 N 0.64 1.27 -0.25 2.95 2.02 -0.48 -0.13 112.91 118.94 2bno h THR 9 Ca 0.05 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.66 2bno h THR 9 Cb 0.97 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2bno h THR 9 CO 0.09 0.51 -0.04 1.23 0.37 0.00 0.00 175.52 177.69 2bno h GLY 10 N 0.81 0.50 0.54 2.16 0.00 -0.69 -2.58 103.07 103.82 2bno h GLY 10 Ca 0.07 -0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.06 2bno h GLY 10 CO 0.09 0.36 0.11 -2.75 0.00 0.00 0.00 176.54 174.35 2bno h PHE 11 N 0.21 0.19 -0.39 5.60 3.57 -0.74 -1.92 116.94 123.45 2bno h PHE 11 Ca 0.07 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.67 2bno h PHE 11 Cb 0.49 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 2bno h PHE 11 CO 0.05 0.05 -0.19 0.00 -2.23 0.00 0.00 178.31 175.99 2bno h ALA 12 N 1.30 0.11 -0.40 2.41 0.00 -0.87 0.10 119.26 121.91 2bno h ALA 12 Ca 0.20 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2bno h ALA 12 Cb 0.22 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2bno h ALA 12 CO -0.24 -0.55 0.01 1.49 0.00 0.00 0.00 179.25 179.96 2bno h GLU 13 N -0.11 0.70 -0.04 0.00 4.81 -1.30 -2.77 114.58 115.86 2bno h GLU 13 Ca 0.19 -0.22 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 2bno h GLU 13 Cb 0.41 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2bno h GLU 13 CO -0.47 0.78 -0.81 -0.07 -0.73 0.00 0.00 179.01 177.72 2bno h LEU 14 N 0.53 0.47 0.09 1.64 3.38 -0.95 -1.90 115.31 118.58 2bno h LEU 14 Ca 0.11 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2bno h LEU 14 Cb 0.46 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2bno h LEU 14 CO 0.02 1.10 -0.20 0.25 0.09 0.00 0.00 178.44 179.70 2bno h LEU 15 N 0.24 -0.58 -0.30 1.67 5.85 -0.86 -0.48 115.31 120.86 2bno h LEU 15 Ca -0.05 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2bno h LEU 15 Cb 1.41 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 2bno h LEU 15 CO 0.14 -0.28 0.07 0.50 -0.34 0.00 0.00 178.44 178.53 2bno h LYS 16 N -0.37 0.18 -0.44 1.25 3.64 -1.42 0.23 116.57 119.65 2bno h LYS 16 Ca 0.03 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2bno h LYS 16 Cb 0.41 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2bno h LYS 16 CO -0.13 0.12 0.19 -0.44 -2.27 0.00 0.00 179.45 176.92 2bno h ASP 17 N 0.19 0.25 -0.22 4.20 3.32 -1.16 -1.55 116.42 121.45 2bno h ASP 17 Ca 0.14 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 2bno h ASP 17 Cb 0.14 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2bno h ASP 17 CO -0.17 0.18 -0.08 -0.09 -1.72 0.00 0.00 179.24 177.36 2bno h ARG 18 N 0.39 0.44 -0.57 3.56 9.65 -0.71 -0.62 114.38 126.52 2bno h ARG 18 Ca 0.19 -0.18 0.11 0.00 -1.10 0.00 0.00 59.98 59.01 2bno h ARG 18 Cb 0.14 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.61 2bno h ARG 18 CO -0.16 0.70 0.02 -0.09 2.80 0.00 0.00 179.97 183.24 2bno h ARG 19 N 0.15 0.13 -0.51 0.20 2.43 -0.82 -1.63 114.38 114.33 2bno h ARG 19 Ca 0.05 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2bno h ARG 19 Cb 0.56 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2bno h ARG 19 CO 0.03 0.09 0.01 0.93 -1.51 0.00 0.00 179.97 179.52 2bno h GLU 20 N 0.14 0.89 -0.66 0.20 5.08 -1.13 -1.64 114.58 117.45 2bno h GLU 20 Ca 0.29 -0.28 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2bno h GLU 20 Cb 0.46 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2bno h GLU 20 CO -0.46 0.91 0.23 0.37 -1.00 0.00 0.00 179.01 179.06 2bno h GLN 21 N 0.76 0.37 -0.59 2.33 4.15 -0.54 -1.45 115.11 120.15 2bno h GLN 21 Ca 0.15 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2bno h GLN 21 Cb 0.50 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2bno h GLN 21 CO 0.02 0.25 0.00 1.33 -1.93 0.00 0.00 178.83 178.50 2bno n VAL 22 N -5.03 1.11 -3.41 2.39 0.24 -0.67 -4.93 118.33 108.03 2bno n VAL 22 Ca 0.11 -0.72 -0.20 0.00 -2.04 0.00 0.00 64.34 61.49 2bno n VAL 22 Cb 0.34 -0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.77 2bno n VAL 22 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2bno n LYS 23 N 0.63 -6.70 -4.42 7.34 4.76 -0.54 -5.01 118.16 114.22 2bno n LYS 23 Ca 0.16 0.72 -0.34 0.00 -2.87 0.00 0.00 58.31 55.98 2bno n LYS 23 Cb 0.59 -5.41 -0.12 0.00 -1.84 0.00 0.00 35.03 28.26 2bno n LYS 23 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2bno s MET 24 N -5.98 3.46 0.79 1.97 -1.94 -0.65 -5.04 119.30 111.91 2bno s MET 24 Ca 0.43 -0.50 -0.08 0.00 -1.71 0.00 0.00 55.69 53.82 2bno s MET 24 Cb -0.19 -2.86 0.12 0.00 2.01 0.00 0.00 34.83 33.91 2bno s MET 24 CO 0.63 0.36 1.11 0.16 -0.01 0.00 0.00 175.02 177.27 2bno s ASP 25 N 0.03 4.20 0.25 3.03 1.47 -1.26 -4.34 116.67 120.05 2bno s ASP 25 Ca 0.01 0.23 -0.03 0.00 1.18 0.00 0.00 52.55 53.94 2bno s ASP 25 Cb -0.13 -0.64 0.51 0.00 -0.34 0.00 0.00 42.92 42.32 2bno s ASP 25 CO 0.03 -2.00 1.72 0.45 0.68 0.00 0.00 175.17 176.04 2bno h HIS 26 N -0.91 0.49 -0.67 2.11 3.86 -1.98 -1.97 115.15 116.07 2bno h HIS 26 Ca -0.43 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 58.75 2bno h HIS 26 Cb 1.28 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 2bno h HIS 26 CO -0.22 0.02 0.14 0.00 0.86 0.00 0.00 177.93 178.72 2bno h ALA 27 N 1.59 0.97 0.18 2.45 0.00 -1.94 0.82 119.26 123.32 2bno h ALA 27 Ca 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2bno h ALA 27 Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bno h ALA 27 CO -0.45 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.37 2bno h ALA 28 N 1.11 -0.24 -0.64 0.00 0.00 -1.77 -1.81 119.26 115.91 2bno h ALA 28 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bno h ALA 28 Cb 0.40 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2bno h ALA 28 CO 0.01 -0.53 0.39 1.25 0.00 0.00 0.00 179.25 180.37 2bno h LEU 29 N -0.45 0.77 -0.94 0.00 5.85 -1.30 -2.89 115.31 116.34 2bno h LEU 29 Ca -0.02 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2bno h LEU 29 Cb 0.35 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2bno h LEU 29 CO 0.04 0.60 0.61 0.00 -0.34 0.00 0.00 178.44 179.34 2bno h ALA 30 N 1.20 1.20 -0.67 1.25 0.00 -0.71 -2.48 119.26 119.05 2bno h ALA 30 Ca 0.23 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2bno h ALA 30 Cb -0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 2bno h ALA 30 CO -0.04 0.62 0.16 1.03 0.00 0.00 0.00 179.25 181.01 2bno h SER 31 N 1.29 1.02 0.58 0.00 0.87 -1.13 0.65 113.55 116.83 2bno h SER 31 Ca 0.34 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2bno h SER 31 Cb -0.12 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.57 2bno h SER 31 CO -0.07 0.99 -0.08 -0.07 -0.53 0.00 0.00 176.83 177.07 2bno h LEU 32 N 1.00 0.00 -1.42 2.23 3.38 -1.29 -1.91 115.31 117.29 2bno h LEU 32 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2bno h LEU 32 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2bno h LEU 32 CO 0.00 0.08 -0.22 0.18 0.09 0.00 0.00 178.44 178.58 2bno n LEU 33 N -3.36 2.40 -1.10 1.67 4.77 -0.94 -4.97 117.00 115.48 2bno n LEU 33 Ca -0.01 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.99 2bno n LEU 33 Cb 0.26 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 2bno n LEU 33 CO 0.28 0.42 -0.12 0.61 -1.33 0.00 0.00 177.39 177.25 2bno n GLY 34 N 1.31 0.04 3.63 -0.72 0.00 -0.72 -5.04 105.19 103.70 2bno n GLY 34 Ca 0.11 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 2bno n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bno s GLU 35 N -4.38 1.98 0.51 1.61 0.41 0.15 -5.03 118.70 113.95 2bno s GLU 35 Ca 0.00 -2.08 -0.09 0.00 -0.41 0.00 0.00 54.97 52.39 2bno s GLU 35 Cb 0.00 -1.68 -0.05 0.00 -1.78 0.00 0.00 34.13 30.63 2bno s GLU 35 CO 0.00 -0.05 0.88 0.95 -0.49 0.00 0.00 175.26 176.54 2bno s THR 36 N -2.70 4.78 0.51 3.63 -4.23 -1.26 -4.05 115.64 112.32 2bno s THR 36 Ca 0.36 0.61 0.19 0.00 -1.18 0.00 0.00 61.69 61.66 2bno s THR 36 Cb 0.09 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.38 2bno s THR 36 CO 0.18 -0.85 2.13 1.55 -0.54 0.00 0.00 174.62 177.10 2bno h PRO 37 N 0.37 0.00 -0.15 3.99 0.14 -1.91 -1.57 132.00 132.88 2bno h PRO 37 Ca -0.46 0.00 -0.14 0.00 0.14 0.00 0.00 66.00 65.54 2bno h PRO 37 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.32 2bno h PRO 37 CO 0.62 0.05 -0.49 0.93 0.14 0.00 0.00 178.00 179.25 2bno h GLU 38 N 0.00 0.40 -0.30 0.86 3.07 -1.93 0.46 114.58 117.14 2bno h GLU 38 Ca -0.00 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.61 2bno h GLU 38 Cb 0.09 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2bno h GLU 38 CO 0.01 0.80 0.12 1.15 -1.40 0.00 0.00 179.01 179.69 2bno h THR 39 N 0.32 1.18 -0.69 1.13 2.02 -1.68 0.69 112.91 115.88 2bno h THR 39 Ca 0.02 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 2bno h THR 39 Cb 0.98 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 2bno h THR 39 CO 0.08 0.19 0.23 0.58 0.37 0.00 0.00 175.52 176.97 2bno h VAL 40 N 0.34 1.25 -0.44 3.16 2.07 -1.13 -1.86 116.25 119.65 2bno h VAL 40 Ca 0.10 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2bno h VAL 40 Cb 0.19 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2bno h VAL 40 CO -0.01 0.33 0.21 0.00 0.02 0.00 0.00 177.57 178.12 2bno h ALA 41 N 1.10 0.55 -0.69 1.67 0.00 -0.74 -2.07 119.26 119.08 2bno h ALA 41 Ca 0.22 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2bno h ALA 41 Cb 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2bno h ALA 41 CO -0.01 -0.15 0.38 0.00 0.00 0.00 0.00 179.25 179.47 2bno h ALA 42 N 1.24 0.93 -0.68 0.00 0.00 -0.37 -1.28 119.26 119.10 2bno h ALA 42 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2bno h ALA 42 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2bno h ALA 42 CO -0.15 0.05 0.41 -1.49 0.00 0.00 0.00 179.25 178.07 2bno h TRP 43 N 0.70 0.75 0.00 0.00 6.55 -1.10 0.40 115.95 123.25 2bno h TRP 43 Ca 0.31 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.18 2bno h TRP 43 Cb 0.21 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.27 2bno h TRP 43 CO -0.08 0.40 0.00 0.39 -1.05 0.00 0.00 178.44 178.10 2bno n GLU 44 N -4.72 0.41 -0.38 0.49 1.02 -0.56 -1.38 120.64 115.51 2bno n GLU 44 Ca 0.08 0.06 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 2bno n GLU 44 Cb 0.13 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.31 2bno n GLU 44 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bno n ASN 45 N -1.21 3.78 0.00 1.62 5.15 -0.66 -4.71 115.26 119.23 2bno n ASN 45 Ca 0.12 -2.28 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 2bno n ASN 45 Cb 0.14 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 2bno n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bno n GLY 46 N 0.73 0.76 2.11 8.20 0.00 -0.48 -4.97 105.19 111.55 2bno n GLY 46 Ca 0.19 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2bno n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bno n GLU 47 N -2.46 3.20 -0.11 1.61 1.02 0.04 -4.46 120.64 119.47 2bno n GLU 47 Ca 0.00 -3.06 0.11 0.00 -0.02 0.00 0.00 57.16 54.19 2bno n GLU 47 Cb 0.00 -2.21 0.31 0.00 -0.02 0.00 0.00 31.44 29.52 2bno n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bno n GLY 48 N -0.52 0.73 0.34 0.62 0.00 -1.26 -4.57 105.19 100.53 2bno n GLY 48 Ca 0.49 -0.51 0.17 0.00 0.00 0.00 0.00 46.02 46.16 2bno n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bno h GLY 49 N 4.88 0.00 -1.12 -0.02 0.00 -1.91 -2.04 103.07 102.87 2bno h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bno h GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2bno n GLU 50 N -4.25 1.90 -1.95 4.80 -0.58 -1.26 -4.91 120.64 114.39 2bno n GLU 50 Ca 0.05 -1.35 -0.42 0.00 -0.42 0.00 0.00 57.16 55.02 2bno n GLU 50 Cb 0.42 -1.43 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 2bno n GLU 50 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2bno s LEU 51 N -1.62 4.38 0.60 -4.62 1.43 -0.77 -4.99 118.68 113.09 2bno s LEU 51 Ca 0.34 2.71 -0.08 0.00 -1.03 0.00 0.00 54.13 56.07 2bno s LEU 51 Cb 0.19 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 2bno s LEU 51 CO 0.28 -0.77 0.95 0.42 0.23 0.00 0.00 176.35 177.46 2bno s THR 52 N 0.24 3.93 0.27 5.49 -4.23 -1.26 -4.85 115.64 115.22 2bno s THR 52 Ca 0.62 0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 2bno s THR 52 Cb -0.43 -3.57 0.25 0.00 1.34 0.00 0.00 72.50 70.08 2bno s THR 52 CO 0.41 -0.64 1.77 0.25 -0.54 0.00 0.00 174.62 175.87 2bno h LEU 53 N -0.25 0.59 -0.31 4.79 5.85 -1.99 0.11 115.31 124.11 2bno h LEU 53 Ca -0.45 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2bno h LEU 53 Cb 1.24 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2bno h LEU 53 CO 0.62 0.26 0.10 0.74 -0.34 0.00 0.00 178.44 179.81 2bno h THR 54 N 0.68 1.20 -0.71 1.05 2.02 -2.00 -1.02 112.91 114.13 2bno h THR 54 Ca 0.47 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 2bno h THR 54 Cb 0.64 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2bno h THR 54 CO -0.35 0.22 0.31 1.56 0.37 0.00 0.00 175.52 177.63 2bno h GLN 55 N 0.34 1.05 -0.96 6.66 4.20 -1.75 -2.32 115.11 122.33 2bno h GLN 55 Ca 0.10 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2bno h GLN 55 Cb 0.25 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 2bno h GLN 55 CO -0.00 0.85 0.63 -0.07 -0.67 0.00 0.00 178.83 179.57 2bno h LEU 56 N 1.01 1.08 -0.73 1.46 3.38 -0.64 -0.99 115.31 119.88 2bno h LEU 56 Ca 0.24 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.27 2bno h LEU 56 Cb 0.17 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2bno h LEU 56 CO -0.02 0.76 0.41 1.23 0.09 0.00 0.00 178.44 180.90 2bno h GLY 57 N 1.26 1.10 1.27 0.83 0.00 -0.68 0.16 103.07 107.01 2bno h GLY 57 Ca 0.37 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 47.27 2bno h GLY 57 CO -0.10 0.14 -0.43 3.21 0.00 0.00 0.00 176.54 179.37 2bno h ARG 58 N 0.72 0.79 -0.42 4.80 3.08 -0.89 0.35 114.38 122.81 2bno h ARG 58 Ca 0.34 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2bno h ARG 58 Cb 0.27 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2bno h ARG 58 CO -0.22 1.06 0.21 0.82 -1.07 0.00 0.00 179.97 180.77 2bno h ILE 59 N 0.64 1.17 -0.71 2.04 2.04 -0.78 -1.11 117.51 120.81 2bno h ILE 59 Ca 0.05 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 2bno h ILE 59 Cb 0.99 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2bno h ILE 59 CO 0.09 0.19 0.21 0.00 0.00 0.00 0.00 178.15 178.65 2bno h ALA 60 N 1.05 0.93 0.08 1.87 0.00 -0.82 -1.85 119.26 120.52 2bno h ALA 60 Ca 0.15 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2bno h ALA 60 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2bno h ALA 60 CO -0.02 0.61 -0.13 1.25 0.00 0.00 0.00 179.25 180.97 2bno h HIS 61 N 1.05 -0.34 -0.02 0.00 -0.00 -0.66 0.09 115.15 115.26 2bno h HIS 61 Ca 0.23 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.55 2bno h HIS 61 Cb 0.31 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2bno h HIS 61 CO 0.02 -0.20 -0.23 -0.24 -0.00 0.00 0.00 177.93 177.28 2bno h VAL 62 N -0.26 1.18 -0.24 5.26 3.04 -1.01 -1.22 116.25 123.00 2bno h VAL 62 Ca 0.02 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2bno h VAL 62 Cb 0.28 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 2bno h VAL 62 CO -0.07 0.25 0.00 0.18 -1.01 0.00 0.00 177.57 176.92 2bno n LEU 63 N -4.24 1.43 -3.81 3.16 4.77 -0.71 -4.93 117.00 112.65 2bno n LEU 63 Ca -0.02 -0.71 -0.29 0.00 -0.03 0.00 0.00 56.01 54.96 2bno n LEU 63 Cb 0.30 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2bno n LEU 63 CO 0.37 0.33 0.13 0.61 -1.33 0.00 0.00 177.39 177.50 2bno n GLY 64 N 0.82 -0.51 0.00 -0.72 0.00 -0.46 -4.95 105.19 99.38 2bno n GLY 64 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2bno n GLY 64 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bno n THR 65 N -4.72 0.00 -4.30 2.61 5.66 -0.06 -5.03 114.28 108.43 2bno n THR 65 Ca 0.03 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.80 2bno n THR 65 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 2bno n THR 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bno s SER 66 N 0.36 4.49 0.27 1.09 1.04 -1.26 -4.22 113.70 115.47 2bno s SER 66 Ca 0.00 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 2bno s SER 66 Cb 0.00 -0.82 0.44 0.00 0.10 0.00 0.00 66.02 65.75 2bno s SER 66 CO 0.00 0.01 1.88 0.40 0.98 0.00 0.00 173.24 176.51 2bno h ILE 67 N 1.93 1.06 -0.56 -1.02 2.04 -1.92 -2.10 117.51 116.94 2bno h ILE 67 Ca -0.44 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.06 2bno h ILE 67 Cb 1.25 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2bno h ILE 67 CO 0.60 0.21 0.37 1.23 0.00 0.00 0.00 178.15 180.56 2bno h GLY 68 N 1.14 0.73 2.00 5.37 0.00 -1.95 -0.40 103.07 109.96 2bno h GLY 68 Ca 0.44 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 2bno h GLY 68 CO -0.18 0.22 -0.22 0.00 0.00 0.00 0.00 176.54 176.36 2bno h ALA 69 N 1.68 1.05 -0.26 3.60 0.00 -1.78 -2.82 119.26 120.73 2bno h ALA 69 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bno h ALA 69 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bno h ALA 69 CO -0.06 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.74 2bno n LEU 70 N -3.43 2.86 -4.33 0.00 4.77 -0.24 -4.91 117.00 111.72 2bno n LEU 70 Ca -0.00 -1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 54.57 2bno n LEU 70 Cb 0.40 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 2bno n LEU 70 CO 0.33 0.59 -0.50 0.42 -1.33 0.00 0.00 177.39 176.89 2bno s THR 71 N -1.67 1.85 0.67 -5.08 -4.23 -0.69 -4.07 115.64 102.40 2bno s THR 71 Ca 0.35 -1.78 -0.12 0.00 -1.18 0.00 0.00 61.69 58.96 2bno s THR 71 Cb 0.21 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 72.27 2bno s THR 71 CO 0.30 -0.19 1.06 -2.16 -0.54 0.00 0.00 174.62 173.09 2bno s PRO 72 N -2.43 3.08 1.10 3.99 0.04 -1.26 -4.90 135.00 134.62 2bno s PRO 72 Ca 0.13 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.04 2bno s PRO 72 Cb -0.08 -2.01 0.25 0.00 0.04 0.00 0.00 34.50 32.71 2bno s PRO 72 CO 0.06 -0.99 1.05 -1.25 0.04 0.00 0.00 177.00 175.91 2bno s PRO 73 N -4.82 -0.42 0.55 0.56 0.04 -1.26 -4.96 135.00 124.69 2bno s PRO 73 Ca 0.59 0.70 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 2bno s PRO 73 Cb -0.14 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2bno s PRO 73 CO 0.50 -3.35 1.26 0.00 0.04 0.00 0.00 177.00 175.45 2bno n ALA 74 N -4.64 1.20 -1.00 8.56 0.00 -1.26 -4.99 120.51 118.38 2bno n ALA 74 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2bno n ALA 74 Cb 0.55 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2bno n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bno n GLY 75 N 0.89 -2.88 3.22 0.00 0.00 -1.26 -4.86 105.19 100.30 2bno n GLY 75 Ca 0.11 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 2bno n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bno s ASN 76 N -1.74 4.34 -0.17 1.61 3.84 -1.26 -4.16 114.94 117.41 2bno s ASN 76 Ca 0.00 -0.81 0.17 0.00 0.21 0.00 0.00 52.86 52.42 2bno s ASN 76 Cb 0.00 -1.68 0.49 0.00 -0.55 0.00 0.00 41.25 39.51 2bno s ASN 76 CO 0.00 -0.12 1.39 -0.90 -2.79 0.00 0.00 177.10 174.68 2bno n ASP 77 N 4.69 3.68 -4.88 -4.21 5.68 -1.26 -5.03 116.55 115.22 2bno n ASP 77 Ca -0.17 -2.98 -0.32 0.00 -0.50 0.00 0.00 54.79 50.83 2bno n ASP 77 Cb 0.47 -0.52 -0.05 0.00 -1.14 0.00 0.00 41.12 39.89 2bno n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2bno s LEU 78 N -2.74 4.20 -0.56 -2.12 1.43 -1.26 -4.86 118.68 112.76 2bno s LEU 78 Ca 0.40 0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 2bno s LEU 78 Cb 0.32 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 43.15 2bno s LEU 78 CO 0.09 -0.03 0.50 -0.62 0.23 0.00 0.00 176.35 176.51 2bno s ASP 79 N -2.41 6.12 -1.50 2.29 2.15 0.11 -4.51 116.67 118.92 2bno s ASP 79 Ca 0.45 -1.97 -0.04 0.00 0.43 0.00 0.00 52.55 51.42 2bno s ASP 79 Cb -0.12 -2.15 0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2bno s ASP 79 CO 0.23 -0.77 0.40 0.47 -0.17 0.00 0.00 175.17 175.33 2bno n ASP 80 N 4.95 -0.59 0.00 -0.34 9.92 -1.26 -2.45 116.55 126.77 2bno n ASP 80 Ca -0.08 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 2bno n ASP 80 Cb 0.41 -2.65 0.00 0.00 -0.64 0.00 0.00 41.12 38.24 2bno n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bno n GLY 81 N -1.99 0.71 3.09 0.44 0.00 -1.26 -5.05 105.19 101.12 2bno n GLY 81 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 2bno n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bno s VAL 82 N -2.70 0.77 -0.01 1.61 1.01 -1.03 -5.03 120.40 115.01 2bno s VAL 82 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2bno s VAL 82 Cb 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2bno s VAL 82 CO 0.00 -0.17 -0.01 -0.51 0.00 0.00 0.00 175.10 174.41 2bno s ILE 83 N -1.02 0.18 0.10 2.22 2.07 -1.26 0.06 121.20 123.55 2bno s ILE 83 Ca -0.04 -0.01 0.09 0.00 -1.41 0.00 0.00 60.65 59.28 2bno s ILE 83 Cb -0.08 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 2bno s ILE 83 CO 0.01 0.09 -0.19 0.27 -1.91 0.00 0.00 174.94 173.21 2bno s ILE 84 N 0.44 2.75 -0.09 2.00 -4.36 -1.26 -5.02 121.20 115.66 2bno s ILE 84 Ca -0.04 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 2bno s ILE 84 Cb -0.07 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.43 2bno s ILE 84 CO -0.01 0.16 -0.14 -1.58 0.24 0.00 0.00 174.94 173.61 2bno s GLN 85 N -1.94 2.05 0.36 0.37 0.74 -1.26 -5.03 119.66 114.96 2bno s GLN 85 Ca 0.17 -0.51 -0.16 0.00 0.05 0.00 0.00 55.36 54.90 2bno s GLN 85 Cb -0.10 -1.73 -0.09 0.00 1.10 0.00 0.00 33.01 32.19 2bno s GLN 85 CO 0.08 -0.03 0.80 -1.64 -0.55 0.00 0.00 175.29 173.95 2bno s MET 86 N 0.87 4.04 0.48 1.67 -1.94 -1.26 -4.92 119.30 118.25 2bno s MET 86 Ca -0.10 0.77 0.20 0.00 -1.71 0.00 0.00 55.69 54.85 2bno s MET 86 Cb -0.15 -2.36 1.22 0.00 2.01 0.00 0.00 34.83 35.55 2bno s MET 86 CO 0.01 0.09 1.98 -1.00 -0.01 0.00 0.00 175.02 176.08 2bno h PRO 87 N 2.06 0.20 0.00 2.03 0.13 -2.01 -0.93 132.00 133.47 2bno h PRO 87 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2bno h PRO 87 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2bno h PRO 87 CO 0.64 0.13 0.00 -0.44 -0.23 0.00 0.00 178.00 178.10 2bno h ASP 88 N 0.20 0.00 -0.60 1.44 3.32 -2.03 -3.29 116.42 115.46 2bno h ASP 88 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2bno h ASP 88 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2bno h ASP 88 CO -0.05 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.85 2bno n GLU 89 N -2.36 4.06 -2.79 3.56 4.71 -0.35 -4.97 120.64 122.48 2bno n GLU 89 Ca 0.01 -2.97 -0.42 0.00 -0.01 0.00 0.00 57.16 53.78 2bno n GLU 89 Cb 0.19 -2.00 -0.03 0.00 -1.01 0.00 0.00 31.44 28.59 2bno n GLU 89 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2bno s ARG 90 N -2.18 4.48 0.34 3.49 0.52 -1.24 -4.94 118.95 119.42 2bno s ARG 90 Ca 0.51 1.26 -0.27 0.00 -0.52 0.00 0.00 55.73 56.72 2bno s ARG 90 Cb 0.35 -3.48 -0.09 0.00 0.52 0.00 0.00 34.95 32.25 2bno s ARG 90 CO 0.21 -0.10 1.11 -2.14 0.02 0.00 0.00 175.30 174.39 2bno s PRO 91 N 1.26 4.38 0.01 3.54 0.02 -1.26 -4.84 135.00 138.12 2bno s PRO 91 Ca 0.47 1.75 0.08 0.00 0.02 0.00 0.00 61.00 63.32 2bno s PRO 91 Cb -0.19 -2.91 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 2bno s PRO 91 CO 0.23 -0.00 -0.26 0.42 -0.33 0.00 0.00 177.00 177.05 2bno s ILE 92 N -1.35 2.06 -0.10 2.83 1.09 -1.26 -0.26 121.20 124.23 2bno s ILE 92 Ca 0.51 -1.22 0.02 0.00 -1.10 0.00 0.00 60.65 58.86 2bno s ILE 92 Cb -0.29 -1.74 0.01 0.00 -1.06 0.00 0.00 42.46 39.38 2bno s ILE 92 CO 0.37 0.48 -0.16 -0.22 -0.10 0.00 0.00 174.94 175.32 2bno s LEU 93 N -0.87 1.76 -0.47 2.97 0.20 -0.55 -4.98 118.68 116.73 2bno s LEU 93 Ca 0.11 -0.42 -0.18 0.00 0.69 0.00 0.00 54.13 54.33 2bno s LEU 93 Cb -0.10 -1.08 0.05 0.00 -0.43 0.00 0.00 46.19 44.63 2bno s LEU 93 CO 0.00 0.04 0.50 -0.54 -0.29 0.00 0.00 176.35 176.07 2bno s LYS 94 N 0.83 3.07 0.00 1.98 1.02 -1.26 -0.16 119.74 125.22 2bno s LYS 94 Ca -0.10 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 54.91 2bno s LYS 94 Cb -0.16 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.09 2bno s LYS 94 CO 0.01 -1.05 0.00 0.09 -0.92 0.00 0.00 175.35 173.48 2bno n ASN 99 N 5.73 0.00 0.00 2.83 4.13 -1.26 -4.45 115.26 122.24 2bno n ASN 99 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 2bno n ASN 99 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 2bno n ASN 99 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2bno n VAL 100 N 0.00 0.00 0.30 2.41 0.31 -1.26 -4.62 118.33 115.47 2bno n VAL 100 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2bno n VAL 100 Cb 0.00 -0.20 0.92 0.00 -0.91 0.00 0.00 33.84 33.65 2bno n VAL 100 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2bno h ASP 101 N 0.00 0.00 -0.52 4.52 3.58 -2.00 -2.86 116.42 119.14 2bno h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2bno h ASP 101 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2bno h ASP 101 CO 0.00 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.14 2bno n TYR 102 N -2.83 0.68 -4.06 0.28 4.02 -1.26 -4.82 117.16 109.17 2bno n TYR 102 Ca -0.01 -0.38 -0.19 0.00 -0.01 0.00 0.00 57.90 57.30 2bno n TYR 102 Cb 0.13 -0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.28 2bno n TYR 102 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2bno s TYR 103 N -1.18 0.58 -0.16 -0.72 1.51 -1.08 -0.03 117.35 116.27 2bno s TYR 103 Ca 0.40 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.28 2bno s TYR 103 Cb 0.22 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.46 2bno s TYR 103 CO 0.29 -0.17 0.01 0.08 -1.11 0.00 0.00 175.55 174.64 2bno s VAL 104 N 1.01 4.29 -0.34 0.71 1.01 -0.74 -4.51 120.40 121.83 2bno s VAL 104 Ca -0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2bno s VAL 104 Cb -0.14 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2bno s VAL 104 CO -0.01 0.48 0.17 -0.31 0.00 0.00 0.00 175.10 175.43 2bno s TYR 105 N 0.33 3.21 -0.43 5.22 1.51 0.77 -0.87 117.35 127.08 2bno s TYR 105 Ca -0.01 -0.81 -0.15 0.00 -1.01 0.00 0.00 57.07 55.09 2bno s TYR 105 Cb -0.13 -2.38 0.04 0.00 -0.11 0.00 0.00 41.96 39.38 2bno s TYR 105 CO 0.02 -0.56 0.34 -0.80 -1.11 0.00 0.00 175.55 173.43 2bno s ASN 106 N 1.57 6.11 -0.12 2.29 0.01 0.15 -1.48 114.94 123.47 2bno s ASN 106 Ca 0.03 -1.08 -0.30 0.00 -0.71 0.00 0.00 52.86 50.80 2bno s ASN 106 Cb -0.18 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 2bno s ASN 106 CO 0.06 -0.53 1.24 0.00 -1.51 0.00 0.00 177.10 176.36 2bno n LEU 108 N 5.98 0.00 -4.63 0.00 4.77 0.19 -4.10 117.00 119.20 2bno n LEU 108 Ca 0.13 -1.33 -0.45 0.00 -0.03 0.00 0.00 56.01 54.33 2bno n LEU 108 Cb 0.45 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 2bno n LEU 108 CO 0.56 -0.94 0.76 0.55 -1.33 0.00 0.00 177.39 176.98 2bno n VAL 109 N -2.69 1.63 -4.27 4.08 3.14 -1.26 -4.73 118.33 114.22 2bno n VAL 109 Ca 0.12 -0.41 -0.15 0.00 -2.96 0.00 0.00 64.34 60.94 2bno n VAL 109 Cb 0.41 -1.22 -0.10 0.00 -1.06 0.00 0.00 33.84 31.87 2bno n VAL 109 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2bno s ARG 110 N -1.23 1.18 -0.14 1.45 0.52 -1.26 -4.44 118.95 115.03 2bno s ARG 110 Ca 0.62 -1.57 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 2bno s ARG 110 Cb -0.68 -0.44 0.04 0.00 0.52 0.00 0.00 34.95 34.39 2bno s ARG 110 CO 0.57 -0.09 0.36 -0.08 0.02 0.00 0.00 175.30 176.08 2bno s THR 111 N -3.53 -0.01 0.65 0.02 -1.32 -1.26 -5.01 115.64 105.19 2bno s THR 111 Ca 0.24 0.02 0.35 0.00 -1.21 0.00 0.00 61.69 61.10 2bno s THR 111 Cb 0.05 -0.51 0.37 0.00 -1.51 0.00 0.00 72.50 70.90 2bno s THR 111 CO 0.05 0.01 2.14 0.11 -2.21 0.00 0.00 174.62 174.72 2bno h LYS 112 N 5.89 0.00 0.00 7.08 1.57 -1.96 -1.74 116.57 127.41 2bno h LYS 112 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2bno h LYS 112 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2bno h LYS 112 CO 0.29 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.71 2bno n ARG 113 N -3.19 0.06 -3.02 3.15 5.12 -1.26 -4.06 116.66 113.47 2bno n ARG 113 Ca -0.01 0.12 -0.15 0.00 -1.93 0.00 0.00 57.85 55.87 2bno n ARG 113 Cb 0.25 -1.58 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 2bno n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bno n ALA 114 N -1.57 0.37 0.28 7.54 0.00 -0.66 -5.03 120.51 121.45 2bno n ALA 114 Ca 0.06 -2.14 0.15 0.00 0.00 0.00 0.00 53.44 51.51 2bno n ALA 114 Cb 0.31 -1.12 0.80 0.00 0.00 0.00 0.00 19.45 19.44 2bno n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bno h PRO 115 N 4.80 0.00 0.00 0.00 0.11 -1.69 -1.53 132.00 133.69 2bno h PRO 115 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2bno h PRO 115 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2bno h PRO 115 CO 0.26 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.00 2bno n SER 116 N -3.50 0.44 -4.60 -2.05 3.41 -1.26 -4.70 113.62 101.35 2bno n SER 116 Ca -0.02 0.55 -0.43 0.00 -0.26 0.00 0.00 58.87 58.71 2bno n SER 116 Cb 0.21 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 2bno n SER 116 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bno s LEU 117 N -3.84 3.64 -0.42 1.04 2.96 -0.58 -3.79 118.68 117.71 2bno s LEU 117 Ca 0.11 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 2bno s LEU 117 Cb 0.15 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.42 2bno s LEU 117 CO 0.53 -1.33 0.21 -0.69 -1.32 0.00 0.00 176.35 173.75 2bno s VAL 118 N 5.01 1.33 0.02 1.68 1.01 -0.04 -4.65 120.40 124.75 2bno s VAL 118 Ca 0.57 -2.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 2bno s VAL 118 Cb -0.12 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.26 2bno s VAL 118 CO 0.31 -0.85 0.47 -2.16 0.00 0.00 0.00 175.10 172.86 2bno s PRO 119 N 0.57 4.04 0.07 2.72 0.04 -1.26 -1.94 135.00 139.25 2bno s PRO 119 Ca 0.16 0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.76 2bno s PRO 119 Cb -0.23 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2bno s PRO 119 CO -0.03 0.64 -0.11 -0.51 0.04 0.00 0.00 177.00 177.02 2bno s LEU 120 N -0.96 2.31 -0.23 -3.56 1.43 0.75 -0.64 118.68 117.78 2bno s LEU 120 Ca 0.26 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2bno s LEU 120 Cb -0.17 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 2bno s LEU 120 CO 0.15 -0.16 0.14 -0.69 0.23 0.00 0.00 176.35 176.01 2bno s VAL 121 N -1.67 5.20 -0.25 -1.59 1.01 0.55 -1.23 120.40 122.41 2bno s VAL 121 Ca -0.02 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2bno s VAL 121 Cb -0.08 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2bno s VAL 121 CO 0.01 0.36 0.08 -0.69 0.00 0.00 0.00 175.10 174.86 2bno s VAL 122 N 1.00 4.36 -0.22 2.92 1.01 0.54 -0.68 120.40 129.34 2bno s VAL 122 Ca 0.07 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2bno s VAL 122 Cb -0.13 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2bno s VAL 122 CO 0.04 0.33 0.74 -1.81 0.00 0.00 0.00 175.10 174.41 2bno s ASP 123 N 1.62 6.77 -0.37 3.32 1.01 -0.05 -1.29 116.67 127.68 2bno s ASP 123 Ca 0.06 0.95 -0.08 0.00 0.71 0.00 0.00 52.55 54.19 2bno s ASP 123 Cb -0.15 -2.40 0.05 0.00 1.01 0.00 0.00 42.92 41.43 2bno s ASP 123 CO 0.04 -0.41 0.18 -0.69 0.21 0.00 0.00 175.17 174.50 2bno s VAL 124 N 2.44 4.09 -1.51 -1.27 1.01 0.18 -1.79 120.40 123.54 2bno s VAL 124 Ca 0.32 -1.19 0.19 0.00 0.00 0.00 0.00 61.98 61.31 2bno s VAL 124 Cb -0.16 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2bno s VAL 124 CO 0.09 -0.31 0.92 0.18 0.00 0.00 0.00 175.10 175.98 2bno n LEU 125 N 4.88 1.56 -4.85 3.92 4.77 0.96 -1.01 117.00 127.23 2bno n LEU 125 Ca -0.11 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 54.81 2bno n LEU 125 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2bno n LEU 125 CO 0.35 0.31 -0.10 0.28 -1.33 0.00 0.00 177.39 176.90 2bno s THR 126 N -2.35 5.38 -0.19 -5.08 -1.32 -1.22 -4.74 115.64 106.11 2bno s THR 126 Ca 0.13 0.37 0.13 0.00 -1.21 0.00 0.00 61.69 61.12 2bno s THR 126 Cb 0.15 -3.49 0.43 0.00 -1.51 0.00 0.00 72.50 68.09 2bno s THR 126 CO 0.57 0.59 1.20 -0.90 -2.21 0.00 0.00 174.62 173.87 2bno n ASP 127 N 2.11 2.10 -4.06 8.08 5.75 -1.26 -0.54 116.55 128.74 2bno n ASP 127 Ca -0.18 -3.48 -0.33 0.00 -0.01 0.00 0.00 54.79 50.79 2bno n ASP 127 Cb 0.54 -0.46 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 2bno n ASP 127 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2bno s ASN 128 N -3.11 4.95 0.56 -1.12 3.84 -1.26 -2.72 114.94 116.07 2bno s ASN 128 Ca 0.39 -2.14 0.25 0.00 0.21 0.00 0.00 52.86 51.57 2bno s ASN 128 Cb 0.38 -1.71 1.49 0.00 -0.55 0.00 0.00 41.25 40.86 2bno s ASN 128 CO -0.07 -0.44 2.06 -0.65 -2.79 0.00 0.00 177.10 175.22 2bno h PRO 129 N 7.74 0.00 -0.05 0.43 0.11 -1.92 -0.77 132.00 137.55 2bno h PRO 129 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2bno h PRO 129 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2bno h PRO 129 CO 0.59 0.00 0.03 -0.44 -0.21 0.00 0.00 178.00 177.97 2bno h ASP 130 N 0.00 0.05 0.23 -2.05 5.19 -1.98 -1.65 116.42 116.21 2bno h ASP 130 Ca 0.14 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2bno h ASP 130 Cb 0.62 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.12 2bno h ASP 130 CO -0.00 0.03 -0.28 0.47 -3.12 0.00 0.00 179.24 176.34 2bno n ASP 131 N -4.53 1.05 -4.57 6.45 8.00 -0.30 -4.92 116.55 117.72 2bno n ASP 131 Ca -0.02 -0.89 -0.54 0.00 0.71 0.00 0.00 54.79 54.04 2bno n ASP 131 Cb 0.09 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 2bno n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bno n ALA 132 N -0.66 -1.59 -3.08 2.24 0.00 -0.62 -4.93 120.51 111.88 2bno n ALA 132 Ca 0.12 0.53 -0.35 0.00 0.00 0.00 0.00 53.44 53.74 2bno n ALA 132 Cb 0.35 -2.00 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 2bno n ALA 132 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2bno s LYS 133 N 0.46 3.63 0.02 0.00 2.47 -1.26 -5.04 119.74 120.02 2bno s LYS 133 Ca 0.86 -0.52 -0.30 0.00 -1.56 0.00 0.00 55.97 54.45 2bno s LYS 133 Cb -1.03 -3.06 -0.04 0.00 -1.46 0.00 0.00 37.83 32.24 2bno s LYS 133 CO 0.50 0.05 1.01 -0.06 0.16 0.00 0.00 175.35 177.01 2bno s PHE 134 N 0.90 3.64 0.00 4.03 0.40 -1.26 -4.54 117.98 121.15 2bno s PHE 134 Ca 0.01 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.99 2bno s PHE 134 Cb -0.14 -3.16 0.00 0.00 0.51 0.00 0.00 43.02 40.23 2bno s PHE 134 CO 0.02 -0.17 0.00 0.27 0.70 0.00 0.00 175.22 176.03 2bno n ASN 135 N 3.76 -0.38 -0.43 1.36 0.23 -1.03 -4.95 115.26 113.82 2bno n ASN 135 Ca 0.06 -0.58 0.04 0.00 -0.53 0.00 0.00 54.58 53.57 2bno n ASN 135 Cb 0.50 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.31 2bno n ASN 135 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2bno n SER 136 N -2.30 2.64 0.00 0.53 7.64 -1.26 -4.33 113.62 116.54 2bno n SER 136 Ca 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.85 2bno n SER 136 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2bno n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bno n GLY 137 N 0.15 2.32 3.93 0.23 0.00 -1.25 -4.35 105.19 106.21 2bno n GLY 137 Ca 0.08 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 2bno n GLY 137 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bno s HIS 138 N -1.75 3.33 0.09 1.61 3.76 -1.26 -4.69 115.29 116.37 2bno s HIS 138 Ca 0.00 0.55 0.15 0.00 -0.15 0.00 0.00 55.06 55.61 2bno s HIS 138 Cb 0.00 -2.48 0.36 0.00 1.11 0.00 0.00 32.58 31.58 2bno s HIS 138 CO 0.00 -0.52 1.58 0.00 -0.85 0.00 0.00 174.74 174.95 2bno h ALA 139 N 0.12 0.82 -0.55 -1.40 0.00 -1.96 0.90 119.26 117.20 2bno h ALA 139 Ca -0.46 -0.47 -0.66 0.00 0.00 0.00 0.00 54.91 53.32 2bno h ALA 139 Cb 1.24 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 2bno h ALA 139 CO 0.60 0.65 -0.50 0.20 0.00 0.00 0.00 179.25 180.20 2bno s GLY 140 N -4.44 3.01 0.78 0.00 0.00 -1.26 -4.73 107.32 100.68 2bno s GLY 140 Ca 0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 2bno s GLY 140 CO 0.73 -2.11 1.11 -1.31 0.00 0.00 0.00 173.10 171.52 2bno s ASN 141 N -3.83 4.69 -0.01 1.64 0.01 -1.24 -3.60 114.94 112.60 2bno s ASN 141 Ca 0.07 1.15 0.00 0.00 -0.71 0.00 0.00 52.86 53.37 2bno s ASN 141 Cb 0.00 -1.86 0.01 0.00 0.41 0.00 0.00 41.25 39.81 2bno s ASN 141 CO 0.05 -1.83 -0.00 -0.70 -1.51 0.00 0.00 177.10 173.11 2bno s GLU 142 N -5.28 0.07 -0.10 -0.60 2.12 -0.11 -1.94 118.70 112.87 2bno s GLU 142 Ca 0.60 0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.95 2bno s GLU 142 Cb -0.13 -0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.09 2bno s GLU 142 CO 0.53 -0.03 -0.07 0.12 -0.54 0.00 0.00 175.26 175.27 2bno s PHE 143 N 0.29 2.94 0.07 5.30 5.36 -0.15 -0.80 117.98 130.99 2bno s PHE 143 Ca -0.02 -0.18 0.06 0.00 -0.96 0.00 0.00 56.93 55.82 2bno s PHE 143 Cb -0.04 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.80 2bno s PHE 143 CO -0.01 0.13 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.21 2bno s LEU 144 N -0.27 2.25 -0.02 6.12 1.02 0.29 -0.01 118.68 128.07 2bno s LEU 144 Ca 0.04 -0.59 -0.00 0.00 0.02 0.00 0.00 54.13 53.59 2bno s LEU 144 Cb -0.13 -0.67 0.03 0.00 0.02 0.00 0.00 46.19 45.44 2bno s LEU 144 CO 0.03 0.00 0.03 0.12 0.02 0.00 0.00 176.35 176.55 2bno s PHE 145 N -1.12 0.04 -0.40 0.29 5.36 -0.35 -1.06 117.98 120.74 2bno s PHE 145 Ca 0.02 0.14 -0.25 0.00 -0.96 0.00 0.00 56.93 55.88 2bno s PHE 145 Cb -0.09 -0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.34 2bno s PHE 145 CO 0.03 -0.10 0.90 0.08 -1.46 0.00 0.00 175.22 174.67 2bno s VAL 146 N 1.17 4.57 -0.10 3.12 1.01 -0.40 -0.62 120.40 129.15 2bno s VAL 146 Ca -0.08 0.96 -0.21 0.00 0.00 0.00 0.00 61.98 62.65 2bno s VAL 146 Cb -0.13 -4.35 -0.28 0.00 0.00 0.00 0.00 36.38 31.62 2bno s VAL 146 CO -0.03 -0.64 0.68 -0.07 0.00 0.00 0.00 175.10 175.04 2bno h LEU 147 N 10.21 0.31 -7.81 3.92 3.38 -1.23 0.20 115.31 124.29 2bno h LEU 147 Ca -0.24 -0.88 -0.17 0.00 0.09 0.00 0.00 57.88 56.68 2bno h LEU 147 Cb 1.08 -0.10 -0.23 0.00 0.09 0.00 0.00 40.66 41.50 2bno h LEU 147 CO 0.99 1.43 -0.61 -1.61 0.09 0.00 0.00 178.44 178.73 2bno s GLU 148 N -2.41 0.31 3.04 1.13 2.02 -0.75 -4.77 118.70 117.28 2bno s GLU 148 Ca -0.18 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.46 2bno s GLU 148 Cb 0.02 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.38 2bno s GLU 148 CO 0.76 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.39 2bno n GLY 149 N 1.93 -0.26 2.84 -1.39 0.00 -1.26 -1.08 105.19 105.97 2bno n GLY 149 Ca -0.20 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 2bno n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bno s GLU 150 N 0.00 0.02 -0.06 1.61 2.12 -1.26 -2.14 118.70 118.99 2bno s GLU 150 Ca 0.00 0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.64 2bno s GLU 150 Cb 0.00 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 2bno s GLU 150 CO 0.00 -0.20 0.05 0.42 -0.54 0.00 0.00 175.26 175.00 2bno s ILE 151 N 1.35 4.67 -0.40 -3.70 -1.09 -0.44 -0.84 121.20 120.75 2bno s ILE 151 Ca -0.07 -0.24 -0.10 0.00 -2.23 0.00 0.00 60.65 58.01 2bno s ILE 151 Cb -0.12 -3.05 0.05 0.00 -1.58 0.00 0.00 42.46 37.77 2bno s ILE 151 CO -0.05 0.50 0.24 -2.28 -1.23 0.00 0.00 174.94 172.12 2bno s HIS 152 N -1.03 3.28 -0.11 3.97 5.65 0.80 -0.61 115.29 127.23 2bno s HIS 152 Ca 0.17 -1.23 -0.10 0.00 0.25 0.00 0.00 55.06 54.16 2bno s HIS 152 Cb -0.12 -2.69 -0.05 0.00 -1.18 0.00 0.00 32.58 28.55 2bno s HIS 152 CO 0.07 -0.75 0.20 1.41 -0.65 0.00 0.00 174.74 175.02 2bno s MET 153 N 1.50 3.72 0.06 2.88 1.75 0.11 -1.54 119.30 127.78 2bno s MET 153 Ca 0.02 -0.02 0.08 0.00 -1.25 0.00 0.00 55.69 54.52 2bno s MET 153 Cb -0.21 -3.25 -0.03 0.00 2.84 0.00 0.00 34.83 34.18 2bno s MET 153 CO 0.05 0.64 -0.23 0.15 -0.65 0.00 0.00 175.02 174.97 2bno s LYS 154 N -0.69 1.50 0.21 4.11 1.02 0.07 -1.54 119.74 124.42 2bno s LYS 154 Ca 0.16 -1.07 -0.15 0.00 0.02 0.00 0.00 55.97 54.93 2bno s LYS 154 Cb -0.13 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 2bno s LYS 154 CO 0.05 0.43 0.48 1.67 -0.92 0.00 0.00 175.35 177.05 2bno s TRP 155 N -0.87 0.09 0.00 3.18 -2.14 -0.12 -1.17 118.94 117.91 2bno s TRP 155 Ca 0.09 -0.45 0.00 0.00 2.66 0.00 0.00 56.10 58.41 2bno s TRP 155 Cb -0.09 0.27 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 2bno s TRP 155 CO 0.03 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.81 2bno n GLY 156 N -0.33 0.85 3.63 3.67 0.00 -0.65 -0.82 105.19 111.53 2bno n GLY 156 Ca -0.07 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 2bno n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bno s ASP 157 N -4.00 6.84 0.61 1.61 -1.08 -1.26 -4.42 116.67 114.98 2bno s ASP 157 Ca 0.00 0.88 0.35 0.00 -0.52 0.00 0.00 52.55 53.26 2bno s ASP 157 Cb 0.00 -2.54 1.93 0.00 -1.46 0.00 0.00 42.92 40.84 2bno s ASP 157 CO 0.00 -0.98 2.08 0.07 0.52 0.00 0.00 175.17 176.86 2bno h LYS 158 N 8.42 0.00 0.00 4.34 2.10 -1.95 -0.15 116.57 129.32 2bno h LYS 158 Ca -0.21 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.26 2bno h LYS 158 Cb 1.06 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.37 2bno h LYS 158 CO 1.06 0.00 -0.85 0.93 -2.00 0.00 0.00 179.45 178.58 2bno h GLU 159 N 0.00 0.00 -1.22 0.07 4.39 -1.98 -3.39 114.58 112.44 2bno h GLU 159 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2bno h GLU 159 Cb 0.27 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 28.66 2bno h GLU 159 CO 0.00 0.79 -0.75 -1.71 -1.16 0.00 0.00 179.01 176.17 2bno n ASN 160 N -3.28 -1.74 -4.86 1.42 4.05 -0.17 -5.15 115.26 105.53 2bno n ASN 160 Ca -0.00 -2.87 -0.31 0.00 0.45 0.00 0.00 54.58 51.84 2bno n ASN 160 Cb 0.87 0.69 -0.02 0.00 1.23 0.00 0.00 39.78 42.55 2bno n ASN 160 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2bno s PRO 161 N 0.11 3.80 0.51 1.20 0.04 -0.62 -4.47 135.00 135.56 2bno s PRO 161 Ca 0.33 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2bno s PRO 161 Cb 0.13 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 2bno s PRO 161 CO -0.16 -0.35 1.00 0.15 0.04 0.00 0.00 177.00 177.69 2bno s LYS 162 N -4.45 3.84 0.06 4.56 -0.14 -0.00 -4.88 119.74 118.72 2bno s LYS 162 Ca 0.56 1.13 -0.07 0.00 -1.36 0.00 0.00 55.97 56.24 2bno s LYS 162 Cb -0.10 -2.11 -0.01 0.00 -1.68 0.00 0.00 37.83 33.92 2bno s LYS 162 CO 0.40 -0.37 0.13 -1.21 -0.76 0.00 0.00 175.35 173.53 2bno s GLU 163 N -3.70 0.70 -0.26 1.68 2.02 -1.26 -0.94 118.70 116.94 2bno s GLU 163 Ca 0.62 -0.87 -0.21 0.00 0.02 0.00 0.00 54.97 54.53 2bno s GLU 163 Cb -0.12 0.28 0.07 0.00 0.10 0.00 0.00 34.13 34.45 2bno s GLU 163 CO 0.26 -0.19 0.67 0.00 0.02 0.00 0.00 175.26 176.02 2bno s ALA 164 N -3.23 -1.71 -0.27 5.21 0.00 -0.59 -4.99 121.76 116.18 2bno s ALA 164 Ca 0.00 2.05 -0.16 0.00 0.00 0.00 0.00 51.96 53.86 2bno s ALA 164 Cb 0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 2bno s ALA 164 CO -0.08 -0.34 0.41 -0.51 0.00 0.00 0.00 175.76 175.25 2bno s LEU 165 N 0.77 4.04 -0.32 0.00 2.01 -1.26 -0.71 118.68 123.21 2bno s LEU 165 Ca -0.03 0.35 0.04 0.00 0.01 0.00 0.00 54.13 54.49 2bno s LEU 165 Cb -0.05 -2.48 0.09 0.00 0.01 0.00 0.00 46.19 43.76 2bno s LEU 165 CO -0.06 -0.21 0.01 -0.76 1.01 0.00 0.00 176.35 176.35 2bno s LEU 166 N 2.12 4.37 0.99 1.79 1.43 0.21 -4.98 118.68 124.61 2bno s LEU 166 Ca 0.17 -1.96 -0.13 0.00 -1.03 0.00 0.00 54.13 51.18 2bno s LEU 166 Cb -0.16 -1.59 0.18 0.00 0.03 0.00 0.00 46.19 44.66 2bno s LEU 166 CO 0.10 -0.34 1.11 -2.16 0.23 0.00 0.00 176.35 175.29 2bno s PRO 167 N 0.97 0.51 0.18 1.29 0.04 -1.26 -1.33 135.00 135.39 2bno s PRO 167 Ca 0.06 0.41 -0.33 0.00 0.04 0.00 0.00 61.00 61.19 2bno s PRO 167 Cb -0.19 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 2bno s PRO 167 CO -0.08 -2.66 1.37 2.41 0.04 0.00 0.00 177.00 178.08 2bno n THR 168 N -4.11 0.58 0.00 1.26 -1.04 -0.91 -1.24 114.28 108.83 2bno n THR 168 Ca 0.06 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2bno n THR 168 Cb 0.58 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 2bno n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bno n GLY 169 N 2.44 0.88 3.75 3.41 0.00 0.70 -5.00 105.19 111.37 2bno n GLY 169 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2bno n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bno s ALA 170 N -2.29 2.49 0.13 4.61 0.00 -0.37 -4.75 121.76 121.58 2bno s ALA 170 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.93 2bno s ALA 170 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2bno s ALA 170 CO 0.00 -1.23 -0.13 -1.54 0.00 0.00 0.00 175.76 172.86 2bno s SER 171 N -1.80 1.95 0.00 0.00 1.04 -1.26 -1.28 113.70 112.36 2bno s SER 171 Ca 0.75 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 2bno s SER 171 Cb -0.28 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 65.79 2bno s SER 171 CO 0.35 -0.20 0.22 -0.04 0.98 0.00 0.00 173.24 174.56 2bno s MET 172 N -2.99 0.60 -0.07 4.02 1.00 -0.23 -4.98 119.30 116.64 2bno s MET 172 Ca 0.11 -0.34 0.04 0.00 0.00 0.00 0.00 55.69 55.50 2bno s MET 172 Cb -0.03 0.26 -0.00 0.00 0.00 0.00 0.00 34.83 35.06 2bno s MET 172 CO 0.03 -0.16 -0.20 0.12 0.00 0.00 0.00 175.02 174.80 2bno s PHE 173 N -1.53 2.11 -0.17 -0.03 5.36 -1.26 -0.54 117.98 121.91 2bno s PHE 173 Ca -0.13 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.11 2bno s PHE 173 Cb -0.06 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.22 2bno s PHE 173 CO 0.02 -0.29 -0.19 0.08 -1.46 0.00 0.00 175.22 173.38 2bno s VAL 174 N 0.22 1.97 0.55 3.12 1.01 0.02 -5.00 120.40 122.29 2bno s VAL 174 Ca -0.11 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 2bno s VAL 174 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2bno s VAL 174 CO 0.05 0.53 1.08 -0.70 0.00 0.00 0.00 175.10 176.06 2bno s GLU 175 N 1.27 3.40 0.23 2.72 2.12 -1.26 -0.93 118.70 126.24 2bno s GLU 175 Ca 0.04 1.42 -0.27 0.00 0.36 0.00 0.00 54.97 56.51 2bno s GLU 175 Cb -0.13 -2.03 -0.17 0.00 0.26 0.00 0.00 34.13 32.06 2bno s GLU 175 CO -0.11 -0.78 0.51 -0.85 -0.54 0.00 0.00 175.26 173.49 2bno n GLU 176 N -1.52 0.09 -0.85 4.30 0.28 -1.24 -2.35 120.64 119.36 2bno n GLU 176 Ca 0.10 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2bno n GLU 176 Cb 0.52 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.33 2bno n GLU 176 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2bno n HIS 177 N -0.10 0.00 -3.00 -1.84 8.25 0.31 -4.89 115.22 113.95 2bno n HIS 177 Ca 0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 2bno n HIS 177 Cb 0.27 -1.00 -0.05 0.00 1.12 0.00 0.00 29.99 30.33 2bno n HIS 177 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2bno s VAL 178 N -1.87 4.91 0.40 1.59 1.01 -0.99 -4.51 120.40 120.94 2bno s VAL 178 Ca 0.00 1.35 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 2bno s VAL 178 Cb 0.00 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 2bno s VAL 178 CO 0.00 -0.03 1.30 -2.84 0.00 0.00 0.00 175.10 173.53 2bno s PRO 179 N 2.68 3.98 0.10 2.72 0.02 -1.26 -3.97 135.00 139.26 2bno s PRO 179 Ca 0.31 2.15 -0.22 0.00 0.02 0.00 0.00 61.00 63.26 2bno s PRO 179 Cb -0.15 -2.76 0.06 0.00 0.02 0.00 0.00 34.50 31.66 2bno s PRO 179 CO 0.08 -0.48 0.54 -3.38 -0.33 0.00 0.00 177.00 173.43 2bno s HIS 180 N -1.26 -0.45 0.03 6.54 -3.43 -1.26 -1.64 115.29 113.83 2bno s HIS 180 Ca 0.57 0.37 -0.09 0.00 -0.80 0.00 0.00 55.06 55.11 2bno s HIS 180 Cb -0.38 0.42 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2bno s HIS 180 CO 0.49 -0.73 0.18 0.00 -2.00 0.00 0.00 174.74 172.68 2bno s ALA 181 N -3.08 -0.34 0.01 -1.38 0.00 -0.32 -2.47 121.76 114.18 2bno s ALA 181 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2bno s ALA 181 Cb -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2bno s ALA 181 CO -0.07 -0.34 -0.04 -0.06 0.00 0.00 0.00 175.76 175.25 2bno s PHE 182 N -2.42 0.36 0.33 0.00 0.40 -1.26 -0.75 117.98 114.63 2bno s PHE 182 Ca -0.06 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 2bno s PHE 182 Cb -0.02 -0.23 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 2bno s PHE 182 CO -0.03 -0.05 0.14 0.95 0.70 0.00 0.00 175.22 176.93 2bno s THR 183 N -0.54 0.50 0.76 0.64 -4.23 -0.59 -4.85 115.64 107.33 2bno s THR 183 Ca -0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 2bno s THR 183 Cb -0.04 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.32 2bno s THR 183 CO -0.00 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.16 2bno s ALA 184 N -3.49 2.37 0.48 3.99 0.00 0.30 -0.14 121.76 125.26 2bno s ALA 184 Ca 0.33 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.14 2bno s ALA 184 Cb 0.05 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 2bno s ALA 184 CO 0.17 -1.59 1.29 0.00 0.00 0.00 0.00 175.76 175.63 2bno s ALA 185 N -3.01 3.00 -0.09 0.00 0.00 -0.02 -4.35 121.76 117.30 2bno s ALA 185 Ca 0.60 1.19 -0.39 0.00 0.00 0.00 0.00 51.96 53.36 2bno s ALA 185 Cb -0.15 -3.49 -0.17 0.00 0.00 0.00 0.00 23.12 19.31 2bno s ALA 185 CO 0.55 -1.00 1.45 1.17 0.00 0.00 0.00 175.76 177.94 2bno n LYS 186 N -0.53 0.91 -0.99 0.00 4.81 -1.25 -1.31 118.16 119.79 2bno n LYS 186 Ca 0.07 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 2bno n LYS 186 Cb 0.45 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2bno n LYS 186 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bno n GLY 187 N 3.02 0.21 0.62 3.14 0.00 -1.10 -4.87 105.19 106.21 2bno n GLY 187 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 2bno n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bno n THR 188 N -2.39 0.08 0.00 2.61 -2.24 -0.43 -4.99 114.28 106.91 2bno n THR 188 Ca 0.00 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2bno n THR 188 Cb 0.29 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2bno n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bno n GLY 189 N 1.22 2.05 3.36 3.38 0.00 -1.26 -4.88 105.19 109.05 2bno n GLY 189 Ca 0.18 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2bno n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bno s SER 190 N -0.69 -0.37 0.28 1.61 1.04 -1.26 -4.10 113.70 110.20 2bno s SER 190 Ca 0.00 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 2bno s SER 190 Cb 0.00 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 2bno s SER 190 CO 0.00 -0.86 0.48 0.00 0.98 0.00 0.00 173.24 173.85 2bno s ALA 191 N -3.49 0.02 -0.06 5.32 0.00 -0.18 -4.58 121.76 118.79 2bno s ALA 191 Ca 0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 2bno s ALA 191 Cb 0.00 1.08 0.03 0.00 0.00 0.00 0.00 23.12 24.23 2bno s ALA 191 CO -0.10 -0.84 0.14 0.21 0.00 0.00 0.00 175.76 175.17 2bno s LYS 192 N -3.69 0.12 0.17 0.00 2.20 -0.24 0.47 119.74 118.77 2bno s LYS 192 Ca 0.25 0.30 0.03 0.00 -0.36 0.00 0.00 55.97 56.18 2bno s LYS 192 Cb -0.01 -0.08 -0.05 0.00 -1.51 0.00 0.00 37.83 36.19 2bno s LYS 192 CO 0.12 -0.11 -0.04 -0.48 -0.36 0.00 0.00 175.35 174.48 2bno s LEU 193 N 0.73 2.31 -0.21 5.43 0.05 -0.41 -0.67 118.68 125.91 2bno s LEU 193 Ca -0.05 -1.12 -0.07 0.00 0.05 0.00 0.00 54.13 52.93 2bno s LEU 193 Cb -0.07 -0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 43.81 2bno s LEU 193 CO -0.04 -0.46 0.07 -0.51 -0.55 0.00 0.00 176.35 174.86 2bno s ILE 194 N -3.48 4.65 -0.17 1.48 2.07 0.21 -0.34 121.20 125.62 2bno s ILE 194 Ca 0.22 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.36 2bno s ILE 194 Cb 0.05 -3.12 -0.01 0.00 0.13 0.00 0.00 42.46 39.50 2bno s ILE 194 CO 0.03 0.41 -0.08 0.00 -1.91 0.00 0.00 174.94 173.40 2bno s ALA 195 N 0.81 2.76 -0.34 1.50 0.00 -0.37 -1.21 121.76 124.91 2bno s ALA 195 Ca 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2bno s ALA 195 Cb -0.14 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.61 2bno s ALA 195 CO 0.02 -0.04 0.06 0.08 0.00 0.00 0.00 175.76 175.88 2bno s VAL 196 N 0.83 2.54 0.12 0.00 1.01 0.98 -0.18 120.40 125.70 2bno s VAL 196 Ca -0.03 -2.11 -0.26 0.00 0.00 0.00 0.00 61.98 59.58 2bno s VAL 196 Cb -0.15 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 2bno s VAL 196 CO 0.01 -0.50 0.79 0.20 0.00 0.00 0.00 175.10 175.60 2bno s ASN 197 N 1.16 7.35 0.00 3.32 -0.87 -0.82 -0.98 114.94 124.10 2bno s ASN 197 Ca 0.06 1.60 0.00 0.00 -1.57 0.00 0.00 52.86 52.95 2bno s ASN 197 Cb -0.20 -2.50 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 2bno s ASN 197 CO -0.06 0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.80