#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3o s LEU 2 N 0.00 4.08 0.92 7.52 1.43 -1.26 -5.04 118.68 126.33 1a3o s LEU 2 Ca 0.00 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1a3o s LEU 2 Cb 0.00 -3.16 0.15 0.00 0.03 0.00 0.00 46.19 43.21 1a3o s LEU 2 CO 0.00 -0.54 1.16 -0.94 0.23 0.00 0.00 176.35 176.26 1a3o s SER 3 N 1.41 3.42 0.27 2.29 1.04 -1.26 -4.81 113.70 116.06 1a3o s SER 3 Ca 0.34 0.83 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 1a3o s SER 3 Cb -0.15 -1.31 0.37 0.00 0.10 0.00 0.00 66.02 65.03 1a3o s SER 3 CO 0.09 -2.59 1.77 -0.65 0.98 0.00 0.00 173.24 172.83 1a3o h PRO 4 N -1.53 0.73 -0.50 4.02 0.11 -1.99 0.43 132.00 133.27 1a3o h PRO 4 Ca -0.49 -0.20 -0.08 0.00 0.11 0.00 0.00 66.00 65.34 1a3o h PRO 4 Cb 1.32 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1a3o h PRO 4 CO 0.58 0.76 -0.02 0.00 -0.21 0.00 0.00 178.00 179.11 1a3o h ALA 5 N 1.29 0.67 -0.20 -0.75 0.00 -1.99 0.16 119.26 118.44 1a3o h ALA 5 Ca 0.13 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1a3o h ALA 5 Cb 0.46 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1a3o h ALA 5 CO 0.02 0.50 -0.05 -0.44 0.00 0.00 0.00 179.25 179.28 1a3o h ASP 6 N 0.75 -0.19 -0.90 0.00 3.32 -1.76 0.89 116.42 118.53 1a3o h ASP 6 Ca 0.14 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1a3o h ASP 6 Cb 0.54 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1a3o h ASP 6 CO 0.03 -0.07 0.50 0.11 -1.72 0.00 0.00 179.24 178.09 1a3o h LYS 7 N -0.00 1.24 -0.42 3.56 1.57 -0.10 -0.49 116.57 121.93 1a3o h LYS 7 Ca 0.10 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1a3o h LYS 7 Cb 0.15 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1a3o h LYS 7 CO -0.21 0.90 0.25 1.15 -0.57 0.00 0.00 179.45 180.96 1a3o h THR 8 N 1.25 1.05 -0.49 -0.16 2.02 -0.19 -0.90 112.91 115.48 1a3o h THR 8 Ca 0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1a3o h THR 8 Cb 0.01 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1a3o h THR 8 CO -0.05 0.09 0.32 0.78 0.37 0.00 0.00 175.52 177.02 1a3o h ASN 9 N 0.50 0.57 -0.43 4.18 2.35 -0.32 -2.08 115.58 120.35 1a3o h ASN 9 Ca 0.16 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1a3o h ASN 9 Cb 0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1a3o h ASN 9 CO -0.07 0.42 -0.16 0.58 -1.65 0.00 0.00 177.43 176.55 1a3o h VAL 10 N 0.66 1.28 -0.65 2.81 2.07 -0.88 -2.03 116.25 119.51 1a3o h VAL 10 Ca 0.18 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1a3o h VAL 10 Cb -0.06 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1a3o h VAL 10 CO -0.04 0.44 0.21 0.11 0.02 0.00 0.00 177.57 178.31 1a3o h LYS 11 N 0.69 1.00 0.09 1.57 1.57 -1.00 0.25 116.57 120.74 1a3o h LYS 11 Ca 0.10 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1a3o h LYS 11 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1a3o h LYS 11 CO 0.05 0.87 -0.05 0.00 -0.57 0.00 0.00 179.45 179.76 1a3o h ALA 12 N 1.08 -0.13 -0.40 3.86 0.00 -1.37 0.18 119.26 122.49 1a3o h ALA 12 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1a3o h ALA 12 Cb 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1a3o h ALA 12 CO -0.01 -0.44 0.01 0.00 0.00 0.00 0.00 179.25 178.81 1a3o h ALA 13 N 0.49 0.53 0.00 0.00 0.00 -1.25 -2.52 119.26 116.52 1a3o h ALA 13 Ca -0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1a3o h ALA 13 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1a3o h ALA 13 CO 0.02 0.31 -0.51 2.35 0.00 0.00 0.00 179.25 181.42 1a3o h TRP 14 N 0.53 0.00 0.00 0.00 2.91 -0.52 -2.68 115.95 116.19 1a3o h TRP 14 Ca 0.11 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.05 1a3o h TRP 14 Cb 0.46 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 1a3o h TRP 14 CO 0.04 0.51 -0.38 0.78 -1.03 0.00 0.00 178.44 178.36 1a3o h GLY 15 N 1.98 0.00 2.00 2.65 0.00 -0.47 -2.14 103.07 107.09 1a3o h GLY 15 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1a3o h GLY 15 CO 0.07 0.00 -0.39 1.70 0.00 0.00 0.00 176.54 177.92 1a3o h LYS 16 N 0.00 0.00 -0.46 4.80 1.63 -1.10 -2.41 116.57 119.03 1a3o h LYS 16 Ca -0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1a3o h LYS 16 Cb 0.71 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 1a3o h LYS 16 CO 0.05 0.39 0.27 0.28 -3.45 0.00 0.00 179.45 176.99 1a3o h VAL 17 N 0.00 1.04 0.00 2.00 2.07 -1.29 -3.45 116.25 116.62 1a3o h VAL 17 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1a3o h VAL 17 Cb 0.77 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1a3o h VAL 17 CO 0.05 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1a3o n GLY 18 N -1.23 2.62 0.00 2.17 0.00 -0.91 -1.25 105.19 106.59 1a3o n GLY 18 Ca 0.03 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.37 1a3o n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3o n ALA 19 N 10.44 1.69 1.10 4.61 0.00 -1.26 -1.98 120.51 135.11 1a3o n ALA 19 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1a3o n ALA 19 Cb 0.00 -1.20 0.20 0.00 0.00 0.00 0.00 19.45 18.46 1a3o n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a3o n HIS 20 N -1.33 0.00 -0.25 0.00 -0.00 -0.38 -4.49 115.22 108.77 1a3o n HIS 20 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.79 1a3o n HIS 20 Cb 0.10 -0.12 0.09 0.00 -0.00 0.00 0.00 29.99 30.07 1a3o n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a3o h ALA 21 N 3.44 0.51 -0.68 -1.41 0.00 -1.47 0.51 119.26 120.15 1a3o h ALA 21 Ca 0.00 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1a3o h ALA 21 Cb 0.55 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1a3o h ALA 21 CO 0.00 -0.41 0.38 0.78 0.00 0.00 0.00 179.25 180.00 1a3o h GLY 22 N 0.01 1.00 1.35 0.00 0.00 -1.83 0.13 103.07 103.72 1a3o h GLY 22 Ca 0.36 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1a3o h GLY 22 CO -0.75 0.16 -0.26 0.83 0.00 0.00 0.00 176.54 176.53 1a3o h GLU 23 N 0.70 0.74 -0.19 4.80 4.39 -1.32 -2.23 114.58 121.48 1a3o h GLU 23 Ca 0.31 -0.31 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1a3o h GLU 23 Cb 0.19 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1a3o h GLU 23 CO -0.18 0.92 -0.55 1.88 -1.16 0.00 0.00 179.01 179.91 1a3o h TYR 24 N 0.64 0.71 -0.41 4.33 -1.99 -0.55 -1.52 116.97 118.20 1a3o h TYR 24 Ca 0.08 -0.25 -0.00 0.00 2.00 0.00 0.00 58.73 60.56 1a3o h TYR 24 Cb 0.77 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.34 1a3o h TYR 24 CO 0.04 0.99 0.24 0.78 -0.00 0.00 0.00 178.16 180.21 1a3o h GLY 25 N 1.05 0.59 1.22 3.88 0.00 -0.54 0.68 103.07 109.96 1a3o h GLY 25 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1a3o h GLY 25 CO 0.10 0.24 0.23 0.00 0.00 0.00 0.00 176.54 177.12 1a3o h ALA 26 N 1.10 1.17 -0.46 3.60 0.00 -1.21 -1.18 119.26 122.28 1a3o h ALA 26 Ca 0.14 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1a3o h ALA 26 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1a3o h ALA 26 CO -0.03 0.59 -0.23 1.49 0.00 0.00 0.00 179.25 181.07 1a3o h GLU 27 N 0.96 0.95 -0.63 0.00 4.81 -0.99 0.36 114.58 120.04 1a3o h GLU 27 Ca 0.22 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1a3o h GLU 27 Cb 0.23 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1a3o h GLU 27 CO -0.01 1.08 0.35 0.00 -0.73 0.00 0.00 179.01 179.70 1a3o h ALA 28 N 0.90 0.81 -0.53 2.92 0.00 -0.56 0.65 119.26 123.45 1a3o h ALA 28 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a3o h ALA 28 Cb 0.80 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1a3o h ALA 28 CO 0.07 0.31 0.29 -0.07 0.00 0.00 0.00 179.25 179.85 1a3o h LEU 29 N 0.86 0.67 -0.82 0.00 3.38 -0.94 0.01 115.31 118.46 1a3o h LEU 29 Ca 0.22 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1a3o h LEU 29 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1a3o h LEU 29 CO -0.04 0.57 0.29 -0.08 0.09 0.00 0.00 178.44 179.26 1a3o h GLU 30 N 0.71 1.16 -0.45 1.13 4.81 -0.40 0.43 114.58 121.97 1a3o h GLU 30 Ca 0.19 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1a3o h GLU 30 Cb 0.05 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1a3o h GLU 30 CO -0.03 0.95 0.26 0.00 -0.73 0.00 0.00 179.01 179.46 1a3o h ARG 31 N 1.12 0.51 -0.46 1.92 3.08 -0.62 -1.69 114.38 118.24 1a3o h ARG 31 Ca 0.25 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1a3o h ARG 31 Cb 0.24 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1a3o h ARG 31 CO -0.02 0.34 0.16 1.98 -1.07 0.00 0.00 179.97 181.36 1a3o h MET 32 N 0.52 0.71 -0.46 0.04 4.05 -0.39 0.49 114.93 119.89 1a3o h MET 32 Ca 0.18 -0.14 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 1a3o h MET 32 Cb 0.03 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1a3o h MET 32 CO -0.09 0.67 0.08 0.74 0.23 0.00 0.00 176.91 178.53 1a3o h PHE 33 N 0.61 0.73 0.16 1.39 0.04 -0.71 0.52 116.94 119.68 1a3o h PHE 33 Ca 0.15 -0.07 -0.31 0.00 2.80 0.00 0.00 57.97 60.54 1a3o h PHE 33 Cb 0.24 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.19 1a3o h PHE 33 CO 0.01 0.65 -1.50 -0.07 -0.60 0.00 0.00 178.31 176.79 1a3o h LEU 34 N 0.68 0.53 -0.11 1.54 3.38 -1.19 -3.23 115.31 116.91 1a3o h LEU 34 Ca 0.15 -0.67 -0.24 0.00 0.09 0.00 0.00 57.88 57.21 1a3o h LEU 34 Cb 0.31 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1a3o h LEU 34 CO 0.00 1.54 -1.00 0.28 0.09 0.00 0.00 178.44 179.36 1a3o h SER 35 N 0.09 0.63 -2.53 -0.43 0.02 -0.82 -3.39 113.55 107.11 1a3o h SER 35 Ca -0.24 -0.51 -0.60 0.00 -0.84 0.00 0.00 61.79 59.60 1a3o h SER 35 Cb 2.06 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 64.00 1a3o h SER 35 CO 0.20 1.32 -0.81 0.49 -1.14 0.00 0.00 176.83 176.89 1a3o n PHE 36 N -3.76 1.17 0.30 3.45 3.72 0.17 -4.99 117.46 117.52 1a3o n PHE 36 Ca -0.08 -3.80 0.15 0.00 -0.05 0.00 0.00 57.45 53.67 1a3o n PHE 36 Cb 0.86 -0.23 0.91 0.00 -0.94 0.00 0.00 39.48 40.08 1a3o n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a3o h PRO 37 N 5.12 0.00 0.00 -1.08 0.11 -1.71 -0.96 132.00 133.48 1a3o h PRO 37 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1a3o h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1a3o h PRO 37 CO 0.56 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.14 1a3o h THR 38 N 0.00 0.23 0.00 -1.15 1.35 -1.91 -1.08 112.91 110.35 1a3o h THR 38 Ca -0.00 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1a3o h THR 38 Cb 0.01 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1a3o h THR 38 CO 0.00 0.01 -0.01 0.71 -0.25 0.00 0.00 175.52 175.98 1a3o h THR 39 N 0.00 0.08 0.00 6.82 1.35 -1.48 -2.36 112.91 117.32 1a3o h THR 39 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1a3o h THR 39 Cb 0.05 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1a3o h THR 39 CO 0.00 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 175.40 1a3o h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.38 -2.90 116.57 118.58 1a3o h LYS 40 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1a3o h LYS 40 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1a3o h LYS 40 CO 0.00 0.00 -0.03 1.79 -0.57 0.00 0.00 179.45 180.65 1a3o h THR 41 N 0.00 0.20 -0.00 -0.16 1.35 -1.61 -0.80 112.91 111.88 1a3o h THR 41 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1a3o h THR 41 Cb 0.30 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1a3o h THR 41 CO 0.00 0.02 -0.00 1.41 -0.25 0.00 0.00 175.52 176.70 1a3o n HIS 42 N -3.31 0.00 -2.59 4.73 8.25 -1.10 -4.10 115.22 117.10 1a3o n HIS 42 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1a3o n HIS 42 Cb 0.15 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 30.80 1a3o n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a3o n PHE 43 N -1.47 2.17 0.22 4.41 3.01 -0.31 -4.87 117.46 120.62 1a3o n PHE 43 Ca 0.08 -2.95 0.09 0.00 1.01 0.00 0.00 57.45 55.68 1a3o n PHE 43 Cb 0.33 -0.25 0.47 0.00 -0.01 0.00 0.00 39.48 40.02 1a3o n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a3o h PRO 44 N 2.81 0.00 0.00 -1.08 0.13 -1.71 -2.62 132.00 129.53 1a3o h PRO 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1a3o h PRO 44 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1a3o h PRO 44 CO 0.66 0.25 0.00 -2.39 -0.23 0.00 0.00 178.00 176.29 1a3o n HIS 45 N -3.50 0.00 -3.94 1.56 1.44 -1.26 -4.88 115.22 104.63 1a3o n HIS 45 Ca -0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 1a3o n HIS 45 Cb 0.41 -0.40 -0.04 0.00 0.12 0.00 0.00 29.99 30.08 1a3o n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a3o s PHE 46 N -2.80 3.47 -0.50 -1.40 0.40 -0.99 -5.03 117.98 111.12 1a3o s PHE 46 Ca 0.17 0.21 -0.28 0.00 -0.60 0.00 0.00 56.93 56.43 1a3o s PHE 46 Cb 0.16 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.99 1a3o s PHE 46 CO 0.41 0.57 1.10 0.34 0.70 0.00 0.00 175.22 178.35 1a3o s ASP 47 N -2.56 6.56 0.00 1.36 2.15 -1.26 -4.84 116.67 118.08 1a3o s ASP 47 Ca 0.34 0.30 0.21 0.00 0.43 0.00 0.00 52.55 53.83 1a3o s ASP 47 Cb -0.13 -2.53 0.53 0.00 -0.30 0.00 0.00 42.92 40.49 1a3o s ASP 47 CO 0.27 -1.26 1.45 0.18 -0.17 0.00 0.00 175.17 175.64 1a3o n LEU 48 N 7.82 2.99 -4.69 -1.34 4.77 -1.26 -4.43 117.00 120.86 1a3o n LEU 48 Ca 0.10 -1.36 -0.37 0.00 -0.03 0.00 0.00 56.01 54.35 1a3o n LEU 48 Cb 0.49 -0.27 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1a3o n LEU 48 CO 0.70 0.68 0.76 -1.54 -1.33 0.00 0.00 177.39 176.66 1a3o n SER 49 N 1.16 1.47 -4.67 -1.43 3.41 -1.26 -4.85 113.62 107.44 1a3o n SER 49 Ca 0.19 0.77 -0.46 0.00 -0.26 0.00 0.00 58.87 59.11 1a3o n SER 49 Cb 0.51 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.92 1a3o n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1a3o n HIS 50 N -2.12 2.29 -0.81 7.33 -0.00 -1.26 -1.90 115.22 118.75 1a3o n HIS 50 Ca 0.15 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.59 1a3o n HIS 50 Cb 0.48 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 1a3o n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a3o n GLY 51 N 3.41 0.92 3.65 1.57 0.00 -1.26 -5.02 105.19 108.46 1a3o n GLY 51 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1a3o n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a3o n SER 52 N 0.00 2.18 -0.31 1.61 3.41 -0.80 -4.86 113.62 114.85 1a3o n SER 52 Ca 0.00 1.19 -0.03 0.00 -0.26 0.00 0.00 58.87 59.77 1a3o n SER 52 Cb 0.00 -1.40 0.12 0.00 -0.26 0.00 0.00 64.21 62.67 1a3o n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a3o h ALA 53 N 2.58 1.23 -0.70 7.33 0.00 -1.91 -1.83 119.26 125.97 1a3o h ALA 53 Ca -0.43 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a3o h ALA 53 Cb 1.30 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1a3o h ALA 53 CO 0.64 0.64 0.42 1.96 0.00 0.00 0.00 179.25 182.90 1a3o h GLN 54 N 1.22 0.95 -0.27 0.00 4.20 -1.89 -0.17 115.11 119.15 1a3o h GLN 54 Ca 0.31 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.77 1a3o h GLN 54 Cb -0.01 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1a3o h GLN 54 CO -0.05 0.68 -0.48 0.28 -0.67 0.00 0.00 178.83 178.59 1a3o h VAL 55 N 0.95 1.29 -0.71 -0.54 2.07 -1.70 -0.26 116.25 117.36 1a3o h VAL 55 Ca 0.25 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1a3o h VAL 55 Cb -0.02 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1a3o h VAL 55 CO -0.05 0.54 0.31 0.11 0.02 0.00 0.00 177.57 178.50 1a3o h LYS 56 N 0.57 1.04 -0.30 1.57 1.57 -1.09 0.30 116.57 120.22 1a3o h LYS 56 Ca 0.03 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1a3o h LYS 56 Cb 1.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1a3o h LYS 56 CO 0.10 0.84 -0.30 0.78 -0.57 0.00 0.00 179.45 180.29 1a3o h GLY 57 N 1.00 0.81 1.21 3.86 0.00 -0.97 -1.50 103.07 107.48 1a3o h GLY 57 Ca 0.24 -0.82 -0.16 0.00 0.00 0.00 0.00 47.33 46.58 1a3o h GLY 57 CO -0.03 0.74 -0.43 0.84 0.00 0.00 0.00 176.54 177.67 1a3o h HIS 58 N 0.50 1.03 -0.83 5.60 -0.00 -0.82 -1.95 115.15 118.67 1a3o h HIS 58 Ca 0.05 -0.32 0.11 0.00 -0.00 0.00 0.00 60.37 60.21 1a3o h HIS 58 Cb 0.87 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.99 1a3o h HIS 58 CO 0.07 1.13 0.46 0.78 -0.00 0.00 0.00 177.93 180.37 1a3o h GLY 59 N 0.82 1.32 1.22 5.26 0.00 -0.23 0.01 103.07 111.47 1a3o h GLY 59 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1a3o h GLY 59 CO 0.10 0.07 -0.17 1.70 0.00 0.00 0.00 176.54 178.24 1a3o h LYS 60 N 0.73 0.90 -0.25 4.80 3.64 -1.01 -0.57 116.57 124.82 1a3o h LYS 60 Ca 0.42 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1a3o h LYS 60 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1a3o h LYS 60 CO -0.29 1.00 0.13 0.87 -2.27 0.00 0.00 179.45 178.89 1a3o h LYS 61 N 0.79 0.35 -0.25 1.90 1.57 -0.33 -0.48 116.57 120.12 1a3o h LYS 61 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1a3o h LYS 61 Cb 0.71 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1a3o h LYS 61 CO 0.05 0.32 0.17 0.28 -0.57 0.00 0.00 179.45 179.70 1a3o h VAL 62 N 0.28 1.07 -0.50 0.50 2.07 -0.90 -1.88 116.25 116.88 1a3o h VAL 62 Ca 0.09 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1a3o h VAL 62 Cb 0.08 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1a3o h VAL 62 CO -0.01 0.06 0.24 0.00 0.02 0.00 0.00 177.57 177.88 1a3o h ALA 63 N 1.09 0.65 -0.52 1.67 0.00 -0.89 -2.05 119.26 119.22 1a3o h ALA 63 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1a3o h ALA 63 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1a3o h ALA 63 CO -0.02 0.22 0.23 -0.44 0.00 0.00 0.00 179.25 179.24 1a3o h ASP 64 N 0.67 0.66 -0.67 0.00 3.32 -1.01 0.49 116.42 119.88 1a3o h ASP 64 Ca 0.17 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1a3o h ASP 64 Cb 0.13 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1a3o h ASP 64 CO -0.02 0.58 0.18 0.00 -1.72 0.00 0.00 179.24 178.26 1a3o h ALA 65 N 1.52 1.02 -0.31 3.45 0.00 -1.06 0.14 119.26 124.03 1a3o h ALA 65 Ca 0.18 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1a3o h ALA 65 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1a3o h ALA 65 CO -0.02 0.64 -0.33 -0.07 0.00 0.00 0.00 179.25 179.47 1a3o h LEU 66 N 1.03 0.71 -0.49 0.00 3.38 -0.59 0.45 115.31 119.80 1a3o h LEU 66 Ca 0.22 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1a3o h LEU 66 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1a3o h LEU 66 CO -0.00 0.99 0.25 0.74 0.09 0.00 0.00 178.44 180.51 1a3o h THR 67 N 0.58 1.18 -0.23 0.22 2.02 0.56 0.14 112.91 117.37 1a3o h THR 67 Ca 0.06 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.78 1a3o h THR 67 Cb 0.85 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1a3o h THR 67 CO 0.07 0.20 -0.02 -1.13 0.37 0.00 0.00 175.52 175.02 1a3o h ASN 68 N 0.65 -0.13 -0.31 4.18 -1.24 -0.40 -1.53 115.58 116.80 1a3o h ASN 68 Ca 0.17 0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.25 1a3o h ASN 68 Cb 0.09 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 1a3o h ASN 68 CO -0.02 -0.03 0.17 0.00 -1.29 0.00 0.00 177.43 176.25 1a3o h ALA 69 N 1.21 0.38 -0.76 1.57 0.00 -0.45 -0.94 119.26 120.26 1a3o h ALA 69 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1a3o h ALA 69 Cb 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1a3o h ALA 69 CO -0.20 -0.21 0.48 0.28 0.00 0.00 0.00 179.25 179.61 1a3o h VAL 70 N 0.35 1.12 -0.23 0.00 2.07 -0.73 0.12 116.25 118.94 1a3o h VAL 70 Ca 0.12 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1a3o h VAL 70 Cb 0.02 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1a3o h VAL 70 CO -0.07 0.17 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 1a3o h ALA 71 N 1.32 1.54 -0.94 1.67 0.00 -0.89 -2.72 119.26 119.25 1a3o h ALA 71 Ca 0.30 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.49 1a3o h ALA 71 Cb 0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 17.79 17.27 1a3o h ALA 71 CO -0.11 0.33 -0.71 0.72 0.00 0.00 0.00 179.25 179.49 1a3o n HIS 72 N -4.33 2.92 0.14 0.00 8.25 -0.39 -4.86 115.22 116.95 1a3o n HIS 72 Ca 0.00 -2.46 0.15 0.00 -0.26 0.00 0.00 57.72 55.16 1a3o n HIS 72 Cb 0.21 -0.34 0.71 0.00 1.12 0.00 0.00 29.99 31.70 1a3o n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a3o h VAL 73 N 2.22 0.75 0.00 1.59 3.04 -0.65 -0.07 116.25 123.12 1a3o h VAL 73 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1a3o h VAL 73 Cb 1.35 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1a3o h VAL 73 CO 0.82 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.85 1a3o n ASP 74 N -4.27 0.21 -3.04 3.17 8.00 -1.26 -4.23 116.55 115.13 1a3o n ASP 74 Ca 0.03 0.52 -0.15 0.00 0.71 0.00 0.00 54.79 55.91 1a3o n ASP 74 Cb 0.36 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1a3o n ASP 74 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1a3o n ASP 75 N -1.70 0.12 -0.10 -2.24 8.00 -0.06 -4.98 116.55 115.60 1a3o n ASP 75 Ca 0.06 -3.12 -0.10 0.00 0.71 0.00 0.00 54.79 52.34 1a3o n ASP 75 Cb 0.34 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1a3o n ASP 75 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1a3o h MET 76 N 2.97 0.45 -0.66 -1.24 2.86 -1.69 -0.63 114.93 116.99 1a3o h MET 76 Ca 0.03 -0.07 0.13 0.00 -2.06 0.00 0.00 59.70 57.73 1a3o h MET 76 Cb 1.02 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.51 1a3o h MET 76 CO 0.41 0.44 0.16 -1.35 1.06 0.00 0.00 176.91 177.62 1a3o h PRO 77 N 0.36 0.28 -0.21 -0.22 0.11 -1.93 0.12 132.00 130.50 1a3o h PRO 77 Ca 0.11 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1a3o h PRO 77 Cb 0.14 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 1a3o h PRO 77 CO -0.01 0.18 -0.25 -0.91 -0.21 0.00 0.00 178.00 176.80 1a3o h ASN 78 N 0.29 0.59 0.29 -2.05 -0.26 -1.83 -2.59 115.58 110.01 1a3o h ASN 78 Ca 0.35 -0.49 -0.05 0.00 -0.56 0.00 0.00 56.30 55.55 1a3o h ASN 78 Cb 0.55 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1a3o h ASN 78 CO -0.43 0.96 -0.25 0.00 -1.06 0.00 0.00 177.43 176.65 1a3o h ALA 79 N 0.64 1.52 -0.47 -0.83 0.00 -0.33 -2.58 119.26 117.22 1a3o h ALA 79 Ca 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1a3o h ALA 79 Cb 0.81 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1a3o h ALA 79 CO 0.06 0.31 0.08 1.28 0.00 0.00 0.00 179.25 180.98 1a3o n LEU 80 N -4.15 4.86 -0.12 0.00 4.77 0.35 -4.74 117.00 117.98 1a3o n LEU 80 Ca -0.02 -3.20 -0.06 0.00 -0.03 0.00 0.00 56.01 52.70 1a3o n LEU 80 Cb 0.31 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1a3o n LEU 80 CO 0.37 0.81 0.97 -1.28 -1.33 0.00 0.00 177.39 176.92 1a3o h SER 81 N 2.18 0.21 0.33 -1.43 0.87 -1.04 -0.05 113.55 114.62 1a3o h SER 81 Ca 0.13 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1a3o h SER 81 Cb 1.84 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.79 1a3o h SER 81 CO 0.45 0.16 -0.34 0.00 -0.53 0.00 0.00 176.83 176.58 1a3o h ALA 82 N 1.23 1.42 0.00 6.23 0.00 -1.85 -2.03 119.26 124.27 1a3o h ALA 82 Ca 0.18 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 1a3o h ALA 82 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a3o h ALA 82 CO -0.15 0.44 -0.94 1.25 0.00 0.00 0.00 179.25 179.84 1a3o h LEU 83 N 0.02 0.52 -0.85 0.00 5.85 -1.73 -1.43 115.31 117.69 1a3o h LEU 83 Ca -0.00 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 1a3o h LEU 83 Cb 0.61 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1a3o h LEU 83 CO 0.04 1.22 -0.33 0.77 -0.34 0.00 0.00 178.44 179.81 1a3o h SER 84 N 0.22 0.49 -0.12 1.25 4.64 -0.86 0.01 113.55 119.18 1a3o h SER 84 Ca -0.08 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1a3o h SER 84 Cb 1.58 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1a3o h SER 84 CO 0.16 0.79 0.04 0.44 -0.87 0.00 0.00 176.83 177.38 1a3o h ASP 85 N 0.41 0.17 -0.13 4.97 3.32 -1.23 -2.13 116.42 121.80 1a3o h ASP 85 Ca 0.05 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1a3o h ASP 85 Cb 0.77 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1a3o h ASP 85 CO 0.06 0.33 0.08 0.25 -1.72 0.00 0.00 179.24 178.25 1a3o h LEU 86 N 0.00 0.15 -0.71 1.55 5.85 -0.99 0.29 115.31 121.45 1a3o h LEU 86 Ca 0.04 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1a3o h LEU 86 Cb 0.22 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1a3o h LEU 86 CO -0.00 0.11 -0.01 0.45 -0.34 0.00 0.00 178.44 178.65 1a3o h HIS 87 N 0.16 1.06 -0.30 1.25 3.86 -1.02 -0.31 115.15 119.85 1a3o h HIS 87 Ca 0.05 -0.18 -0.17 0.00 -1.16 0.00 0.00 60.37 58.91 1a3o h HIS 87 Cb -0.01 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 1a3o h HIS 87 CO -0.07 0.95 -0.49 0.00 0.86 0.00 0.00 177.93 179.19 1a3o h ALA 88 N 1.08 0.56 0.00 2.45 0.00 -1.19 -3.25 119.26 118.91 1a3o h ALA 88 Ca 0.16 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1a3o h ALA 88 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1a3o h ALA 88 CO 0.03 0.68 -2.03 0.72 0.00 0.00 0.00 179.25 178.65 1a3o n HIS 89 N -4.02 0.00 -0.03 0.00 8.25 0.07 -4.74 115.22 114.75 1a3o n HIS 89 Ca -0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.39 1a3o n HIS 89 Cb 0.59 -0.60 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 1a3o n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1a3o n LYS 90 N -2.35 1.57 -2.66 -0.41 4.76 -0.16 -5.06 118.16 113.85 1a3o n LYS 90 Ca -0.12 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.12 1a3o n LYS 90 Cb 0.71 -1.13 0.08 0.00 -1.84 0.00 0.00 35.03 32.84 1a3o n LYS 90 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1a3o s LEU 91 N -4.91 3.10 -0.29 -0.35 1.43 -0.98 -5.05 118.68 111.62 1a3o s LEU 91 Ca -0.06 -0.31 0.20 0.00 -1.03 0.00 0.00 54.13 52.94 1a3o s LEU 91 Cb 0.02 -2.24 0.48 0.00 0.03 0.00 0.00 46.19 44.48 1a3o s LEU 91 CO 0.18 -1.55 1.03 -2.11 0.23 0.00 0.00 176.35 174.13 1a3o n ARG 92 N -2.59 1.40 -2.58 1.70 1.85 -1.26 -4.80 116.66 110.39 1a3o n ARG 92 Ca 0.13 -3.35 -0.43 0.00 -1.00 0.00 0.00 57.85 53.20 1a3o n ARG 92 Cb 0.60 -1.39 -0.02 0.00 -1.05 0.00 0.00 32.46 30.60 1a3o n ARG 92 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1a3o s VAL 93 N -3.39 4.28 0.52 8.89 1.01 -1.26 -5.01 120.40 125.44 1a3o s VAL 93 Ca 0.27 1.39 -0.23 0.00 0.00 0.00 0.00 61.98 63.42 1a3o s VAL 93 Cb 0.40 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1a3o s VAL 93 CO 0.00 -0.75 1.37 -0.67 0.00 0.00 0.00 175.10 175.05 1a3o n ASP 94 N 7.55 2.81 0.29 3.32 2.03 -1.26 -4.84 116.55 126.44 1a3o n ASP 94 Ca 0.13 1.01 0.18 0.00 0.52 0.00 0.00 54.79 56.63 1a3o n ASP 94 Cb 0.48 -1.58 0.97 0.00 -0.72 0.00 0.00 41.12 40.27 1a3o n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1a3o h PRO 95 N 1.65 0.00 -0.52 -0.67 0.11 -2.01 -1.31 132.00 129.25 1a3o h PRO 95 Ca -0.51 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1a3o h PRO 95 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 1a3o h PRO 95 CO 0.58 0.00 0.35 -0.24 -0.21 0.00 0.00 178.00 178.48 1a3o h VAL 96 N 0.00 1.01 -0.00 3.15 3.04 -2.02 -2.54 116.25 118.88 1a3o h VAL 96 Ca 0.03 -0.18 -0.05 0.00 -1.01 0.00 0.00 66.70 65.49 1a3o h VAL 96 Cb 0.20 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 1a3o h VAL 96 CO -0.00 0.09 -0.24 0.78 -1.01 0.00 0.00 177.57 177.20 1a3o h ASN 97 N 0.52 0.01 -0.76 3.17 2.35 -1.58 -2.43 115.58 116.86 1a3o h ASN 97 Ca 0.22 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1a3o h ASN 97 Cb 0.22 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1a3o h ASN 97 CO -0.06 0.24 0.41 -0.26 -1.65 0.00 0.00 177.43 176.12 1a3o h PHE 98 N 0.01 1.06 -0.61 1.19 -1.00 -1.62 -0.81 116.94 115.15 1a3o h PHE 98 Ca -0.00 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1a3o h PHE 98 Cb 0.43 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 1a3o h PHE 98 CO 0.00 0.74 0.23 0.87 -1.61 0.00 0.00 178.31 178.54 1a3o h LYS 99 N 1.08 0.93 -0.15 1.51 1.57 -1.54 -0.79 116.57 119.17 1a3o h LYS 99 Ca 0.27 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1a3o h LYS 99 Cb 0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1a3o h LYS 99 CO -0.04 0.80 0.04 -0.07 -0.57 0.00 0.00 179.45 179.61 1a3o h LEU 100 N 0.86 0.23 -1.01 2.94 3.38 -1.27 -0.73 115.31 119.71 1a3o h LEU 100 Ca 0.20 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1a3o h LEU 100 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1a3o h LEU 100 CO -0.01 0.38 0.02 0.25 0.09 0.00 0.00 178.44 179.17 1a3o h LEU 101 N 0.06 0.69 -0.61 1.67 5.85 -1.12 -1.73 115.31 120.12 1a3o h LEU 101 Ca 0.05 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1a3o h LEU 101 Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1a3o h LEU 101 CO -0.00 0.75 0.31 0.28 -0.34 0.00 0.00 178.44 179.43 1a3o h SER 102 N 0.69 0.79 -0.62 1.25 0.02 -0.98 0.14 113.55 114.84 1a3o h SER 102 Ca 0.14 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1a3o h SER 102 Cb 0.40 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1a3o h SER 102 CO 0.01 0.69 0.27 -0.74 -1.14 0.00 0.00 176.83 175.93 1a3o h HIS 103 N 0.84 0.92 -0.12 3.45 -0.00 -0.96 -1.29 115.15 117.99 1a3o h HIS 103 Ca 0.21 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.44 1a3o h HIS 103 Cb 0.10 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1a3o h HIS 103 CO -0.00 0.71 -0.31 0.00 -0.00 0.00 0.00 177.93 178.33 1a3o h LEU 105 N 0.20 0.63 -0.68 0.00 3.38 -0.27 -0.61 115.31 117.96 1a3o h LEU 105 Ca 0.03 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1a3o h LEU 105 Cb 0.66 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1a3o h LEU 105 CO 0.05 0.94 0.14 -0.07 0.09 0.00 0.00 178.44 179.60 1a3o h LEU 106 N 0.49 1.05 -0.57 1.67 3.38 -0.82 -0.46 115.31 120.05 1a3o h LEU 106 Ca 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1a3o h LEU 106 Cb 0.89 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1a3o h LEU 106 CO 0.08 1.02 0.22 0.58 0.09 0.00 0.00 178.44 180.43 1a3o h VAL 107 N 1.03 1.23 -0.13 1.22 2.07 -1.08 0.53 116.25 121.12 1a3o h VAL 107 Ca 0.21 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1a3o h VAL 107 Cb 0.40 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1a3o h VAL 107 CO 0.01 0.27 0.07 0.74 0.02 0.00 0.00 177.57 178.68 1a3o h THR 108 N 0.78 1.00 -0.66 2.57 2.02 -0.58 -0.52 112.91 117.53 1a3o h THR 108 Ca 0.19 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 1a3o h THR 108 Cb 0.21 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1a3o h THR 108 CO -0.01 0.03 0.34 -0.07 0.37 0.00 0.00 175.52 176.18 1a3o h LEU 109 N 0.15 0.83 -0.71 2.58 3.38 -0.87 -1.47 115.31 119.21 1a3o h LEU 109 Ca 0.05 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1a3o h LEU 109 Cb 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1a3o h LEU 109 CO -0.03 0.70 0.44 0.00 0.09 0.00 0.00 178.44 179.64 1a3o h ALA 110 N 1.16 0.93 0.00 1.53 0.00 -0.53 0.35 119.26 122.71 1a3o h ALA 110 Ca 0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1a3o h ALA 110 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1a3o h ALA 110 CO -0.03 0.21 -0.25 0.00 0.00 0.00 0.00 179.25 179.17 1a3o h ALA 111 N 1.31 0.97 0.00 0.00 0.00 -0.63 -3.30 119.26 117.62 1a3o h ALA 111 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a3o h ALA 111 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a3o h ALA 111 CO -0.12 0.31 -1.54 0.72 0.00 0.00 0.00 179.25 178.62 1a3o n HIS 112 N -3.35 0.00 -3.31 0.00 -0.00 -0.59 -4.75 115.22 103.22 1a3o n HIS 112 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1a3o n HIS 112 Cb 0.48 -0.30 -0.07 0.00 -0.00 0.00 0.00 29.99 30.10 1a3o n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a3o n LEU 113 N -1.93 3.70 0.04 2.41 4.77 0.12 -4.95 117.00 121.17 1a3o n LEU 113 Ca -0.02 -5.45 -0.13 0.00 -0.03 0.00 0.00 56.01 50.38 1a3o n LEU 113 Cb 0.38 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1a3o n LEU 113 CO 0.32 2.12 0.59 1.55 -1.33 0.00 0.00 177.39 180.65 1a3o h PRO 114 N 3.91 -0.52 -0.49 3.23 0.13 -1.81 -0.68 132.00 135.77 1a3o h PRO 114 Ca 0.18 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1a3o h PRO 114 Cb 0.64 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1a3o h PRO 114 CO 0.81 -0.34 0.32 0.00 -0.23 0.00 0.00 178.00 178.56 1a3o h ALA 115 N 0.05 1.65 0.00 -0.56 0.00 -1.94 -3.15 119.26 115.31 1a3o h ALA 115 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1a3o h ALA 115 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a3o h ALA 115 CO -0.34 0.32 -1.13 0.93 0.00 0.00 0.00 179.25 179.04 1a3o h GLU 116 N 0.66 0.00 -3.43 0.00 3.07 -1.83 -3.41 114.58 109.64 1a3o h GLU 116 Ca 0.18 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.35 1a3o h GLU 116 Cb -0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1a3o h GLU 116 CO -0.04 0.17 3.47 0.34 -1.40 0.00 0.00 179.01 181.55 1a3o n PHE 117 N -2.83 2.91 -1.66 4.33 7.35 -0.32 -4.76 117.46 122.48 1a3o n PHE 117 Ca -0.04 -3.03 -0.29 0.00 -0.76 0.00 0.00 57.45 53.32 1a3o n PHE 117 Cb 0.70 -2.49 0.13 0.00 0.35 0.00 0.00 39.48 38.17 1a3o n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a3o s THR 118 N 2.47 1.98 0.19 -2.13 -4.23 -1.26 -4.75 115.64 107.90 1a3o s THR 118 Ca 0.59 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.98 1a3o s THR 118 Cb 0.16 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.26 1a3o s THR 118 CO -0.07 0.00 1.77 -0.65 -0.54 0.00 0.00 174.62 175.13 1a3o h PRO 119 N -1.42 0.43 -0.57 3.99 0.11 -1.99 0.19 132.00 132.74 1a3o h PRO 119 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1a3o h PRO 119 Cb 1.32 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1a3o h PRO 119 CO 0.60 0.28 0.04 0.00 -0.21 0.00 0.00 178.00 178.71 1a3o h ALA 120 N 1.32 0.99 -0.24 -0.75 0.00 -1.97 -1.06 119.26 117.56 1a3o h ALA 120 Ca 0.24 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1a3o h ALA 120 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a3o h ALA 120 CO -0.21 0.62 -0.61 0.28 0.00 0.00 0.00 179.25 179.34 1a3o h VAL 121 N 0.89 1.29 -0.28 0.00 2.07 -1.73 -1.63 116.25 116.86 1a3o h VAL 121 Ca 0.17 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.91 1a3o h VAL 121 Cb 0.47 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1a3o h VAL 121 CO 0.02 0.58 0.10 -0.74 0.02 0.00 0.00 177.57 177.55 1a3o h HIS 122 N 0.59 0.18 -0.51 1.57 6.17 -0.37 0.13 115.15 122.91 1a3o h HIS 122 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1a3o h HIS 122 Cb 1.21 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 31.07 1a3o h HIS 122 CO 0.07 0.08 0.33 0.00 0.71 0.00 0.00 177.93 179.12 1a3o h ALA 123 N 1.17 0.65 -0.47 5.26 0.00 -1.06 0.20 119.26 125.01 1a3o h ALA 123 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a3o h ALA 123 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1a3o h ALA 123 CO -0.12 0.11 0.24 0.77 0.00 0.00 0.00 179.25 180.25 1a3o h SER 124 N 0.69 0.59 -0.39 0.00 0.02 -0.65 -0.99 113.55 112.82 1a3o h SER 124 Ca 0.19 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1a3o h SER 124 Cb -0.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1a3o h SER 124 CO -0.04 0.53 0.19 -0.07 -1.14 0.00 0.00 176.83 176.31 1a3o h LEU 125 N 0.61 0.51 -0.40 5.07 3.38 -0.58 0.46 115.31 124.36 1a3o h LEU 125 Ca 0.16 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1a3o h LEU 125 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1a3o h LEU 125 CO -0.02 0.49 0.25 -0.78 0.09 0.00 0.00 178.44 178.46 1a3o h ASP 126 N 0.50 0.42 -0.83 -0.43 3.58 -0.57 -0.52 116.42 118.57 1a3o h ASP 126 Ca 0.14 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1a3o h ASP 126 Cb 0.11 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1a3o h ASP 126 CO -0.02 0.30 0.53 0.11 -2.88 0.00 0.00 179.24 177.29 1a3o h LYS 127 N 0.51 1.10 -0.65 0.28 1.57 -0.92 -1.24 116.57 117.22 1a3o h LYS 127 Ca 0.16 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1a3o h LYS 127 Cb -0.03 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 1a3o h LYS 127 CO -0.05 0.74 0.28 0.35 -0.57 0.00 0.00 179.45 180.20 1a3o h PHE 128 N 1.12 0.97 -0.12 -1.35 3.57 -0.44 -0.37 116.94 120.33 1a3o h PHE 128 Ca 0.30 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 1a3o h PHE 128 Cb -0.10 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.33 1a3o h PHE 128 CO -0.01 0.74 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.27 1a3o h LEU 129 N 0.91 0.31 -0.65 0.59 3.38 -0.91 0.40 115.31 119.35 1a3o h LEU 129 Ca 0.22 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1a3o h LEU 129 Cb 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1a3o h LEU 129 CO -0.02 0.74 -0.18 0.00 0.09 0.00 0.00 178.44 179.07 1a3o h ALA 130 N 1.27 0.84 -0.58 1.53 0.00 -0.83 -1.16 119.26 120.32 1a3o h ALA 130 Ca 0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1a3o h ALA 130 Cb 0.93 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1a3o h ALA 130 CO 0.08 0.64 0.01 1.03 0.00 0.00 0.00 179.25 181.01 1a3o h SER 131 N 0.77 0.97 -0.30 0.00 0.87 -0.32 -0.07 113.55 115.47 1a3o h SER 131 Ca 0.11 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1a3o h SER 131 Cb 0.71 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1a3o h SER 131 CO 0.05 1.02 0.09 0.58 -0.53 0.00 0.00 176.83 178.05 1a3o h VAL 132 N 0.92 1.20 -0.67 2.23 2.07 -0.80 -0.95 116.25 120.26 1a3o h VAL 132 Ca 0.17 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1a3o h VAL 132 Cb 0.52 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1a3o h VAL 132 CO 0.03 0.22 0.33 0.28 0.02 0.00 0.00 177.57 178.45 1a3o h SER 133 N 0.32 0.44 -0.52 0.57 0.02 -1.00 0.14 113.55 113.52 1a3o h SER 133 Ca 0.10 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1a3o h SER 133 Cb 0.25 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1a3o h SER 133 CO -0.00 0.27 0.24 0.74 -1.14 0.00 0.00 176.83 176.94 1a3o h THR 134 N 0.59 1.20 -0.52 -2.27 2.02 -0.59 -2.20 112.91 111.14 1a3o h THR 134 Ca 0.32 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1a3o h THR 134 Cb 0.31 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1a3o h THR 134 CO -0.25 0.23 0.31 0.58 0.37 0.00 0.00 175.52 176.76 1a3o h VAL 135 N 0.70 1.16 0.00 3.16 2.07 -0.36 -1.41 116.25 121.57 1a3o h VAL 135 Ca 0.18 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1a3o h VAL 135 Cb 0.13 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1a3o h VAL 135 CO -0.02 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.67 1a3o h LEU 136 N 0.70 0.00 -1.61 2.57 3.38 -0.32 -2.62 115.31 117.41 1a3o h LEU 136 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a3o h LEU 136 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a3o h LEU 136 CO -0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.85 1a3o n THR 137 N -2.80 0.07 0.29 0.22 -2.24 -0.87 -4.50 114.28 104.45 1a3o n THR 137 Ca -0.00 -0.53 0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1a3o n THR 137 Cb 0.20 1.22 0.88 0.00 -2.10 0.00 0.00 70.33 70.54 1a3o n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a3o h SER 138 N 2.60 0.00 -0.54 3.42 4.64 -0.87 -2.31 113.55 120.50 1a3o h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a3o h SER 138 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1a3o h SER 138 CO 0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 1a3o n LYS 139 N -3.51 2.93 0.00 4.77 5.02 -1.26 -4.62 118.16 121.49 1a3o n LYS 139 Ca -0.02 -2.44 0.10 0.00 -2.02 0.00 0.00 58.31 53.93 1a3o n LYS 139 Cb 0.17 -1.50 0.53 0.00 -0.02 0.00 0.00 35.03 34.21 1a3o n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a3o h TYR 140 N 3.17 0.34 0.00 2.13 -1.99 -1.72 -3.46 116.97 115.44 1a3o h TYR 140 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1a3o h TYR 140 Cb 0.96 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1a3o h TYR 140 CO 0.42 0.18 0.00 2.89 -0.00 0.00 0.00 178.16 181.65