#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tct s ARG 3 N 0.00 4.18 -0.32 0.00 6.06 -1.26 -5.01 118.95 122.61 2tct s ARG 3 Ca 0.00 0.67 0.12 0.00 -2.50 0.00 0.00 55.73 54.02 2tct s ARG 3 Cb 0.00 -3.26 0.46 0.00 0.06 0.00 0.00 34.95 32.21 2tct s ARG 3 CO 0.00 0.58 1.13 1.28 -2.50 0.00 0.00 175.30 175.79 2tct n LEU 4 N 2.00 3.73 -4.93 -0.88 4.77 -1.26 -4.59 117.00 115.84 2tct n LEU 4 Ca -0.10 -4.32 -0.27 0.00 -0.03 0.00 0.00 56.01 51.29 2tct n LEU 4 Cb 0.51 -0.09 0.10 0.00 -2.33 0.00 0.00 43.42 41.61 2tct n LEU 4 CO 0.41 1.82 0.67 0.54 -1.33 0.00 0.00 177.39 179.51 2tct s ASN 5 N -3.59 4.42 0.16 -1.43 2.20 -1.26 -4.84 114.94 110.61 2tct s ASN 5 Ca 0.42 0.36 -0.16 0.00 -0.94 0.00 0.00 52.86 52.54 2tct s ASN 5 Cb 0.39 -0.85 0.09 0.00 -2.00 0.00 0.00 41.25 38.87 2tct s ASN 5 CO -0.02 -1.86 1.73 -0.09 -2.94 0.00 0.00 177.10 173.91 2tct h ARG 6 N -0.83 0.20 -0.83 3.55 2.43 -1.98 -1.93 114.38 114.99 2tct h ARG 6 Ca -0.44 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2tct h ARG 6 Cb 1.30 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 2tct h ARG 6 CO 0.55 0.13 0.47 1.49 -1.51 0.00 0.00 179.97 181.10 2tct h GLU 7 N 0.20 1.14 -0.04 0.20 4.81 -1.99 -0.49 114.58 118.41 2tct h GLU 7 Ca 0.18 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2tct h GLU 7 Cb 0.21 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2tct h GLU 7 CO -0.23 0.82 -0.69 0.66 -0.73 0.00 0.00 179.01 178.84 2tct h SER 8 N 1.14 0.24 -0.12 1.04 4.64 -1.79 0.59 113.55 119.29 2tct h SER 8 Ca 0.29 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2tct h SER 8 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2tct h SER 8 CO -0.05 0.86 0.06 0.58 -0.87 0.00 0.00 176.83 177.40 2tct h VAL 9 N 0.14 1.12 -0.17 0.95 2.07 -0.77 -1.20 116.25 118.40 2tct h VAL 9 Ca -0.02 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2tct h VAL 9 Cb 1.23 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2tct h VAL 9 CO 0.10 0.11 0.03 0.40 0.02 0.00 0.00 177.57 178.23 2tct h ILE 10 N 0.07 0.91 -0.51 4.57 1.08 -0.97 -1.23 117.51 121.43 2tct h ILE 10 Ca 0.04 -0.03 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 2tct h ILE 10 Cb 0.13 0.81 -0.07 0.00 -3.07 0.00 0.00 36.82 34.61 2tct h ILE 10 CO -0.01 0.02 0.09 0.44 -0.69 0.00 0.00 178.15 178.01 2tct h ASP 11 N 0.09 -0.02 0.08 1.72 3.32 -0.71 -0.79 116.42 120.12 2tct h ASP 11 Ca 0.08 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 2tct h ASP 11 Cb 0.08 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2tct h ASP 11 CO -0.11 0.01 -0.33 0.00 -1.72 0.00 0.00 179.24 177.10 2tct h ALA 12 N 1.41 1.12 -0.30 3.45 0.00 -0.88 -2.29 119.26 121.77 2tct h ALA 12 Ca 0.26 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2tct h ALA 12 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2tct h ALA 12 CO -0.35 0.56 -0.46 0.00 0.00 0.00 0.00 179.25 179.00 2tct h ALA 13 N 1.35 0.63 -0.60 0.00 0.00 -0.77 0.20 119.26 120.07 2tct h ALA 13 Ca 0.04 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2tct h ALA 13 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2tct h ALA 13 CO 0.06 0.68 0.05 -0.07 0.00 0.00 0.00 179.25 179.96 2tct h LEU 14 N 0.62 1.00 -0.07 0.00 4.07 -1.02 0.72 115.31 120.64 2tct h LEU 14 Ca 0.04 -0.29 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 2tct h LEU 14 Cb 1.03 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 2tct h LEU 14 CO 0.10 1.04 0.04 -0.08 -1.08 0.00 0.00 178.44 178.46 2tct h GLU 15 N 0.93 0.10 -0.37 1.13 4.81 -1.25 -2.02 114.58 117.91 2tct h GLU 15 Ca 0.18 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2tct h GLU 15 Cb 0.50 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2tct h GLU 15 CO 0.02 0.09 -0.07 1.25 -0.73 0.00 0.00 179.01 179.57 2tct h LEU 16 N 0.07 0.61 -0.69 1.64 5.85 -0.25 -2.68 115.31 119.86 2tct h LEU 16 Ca 0.03 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2tct h LEU 16 Cb 0.02 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2tct h LEU 16 CO -0.01 0.73 0.30 0.25 -0.34 0.00 0.00 178.44 179.37 2tct h LEU 17 N 0.59 0.93 -1.27 2.25 5.85 -0.24 -0.17 115.31 123.25 2tct h LEU 17 Ca 0.11 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2tct h LEU 17 Cb 0.48 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2tct h LEU 17 CO 0.03 0.82 0.50 0.78 -0.34 0.00 0.00 178.44 180.23 2tct h ASN 18 N 0.97 0.85 -0.04 1.25 2.35 -1.06 0.25 115.58 120.15 2tct h ASN 18 Ca 0.23 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 2tct h ASN 18 Cb 0.17 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.34 2tct h ASN 18 CO -0.02 0.61 -0.56 -0.33 -1.65 0.00 0.00 177.43 175.48 2tct h GLU 19 N 1.01 0.45 0.00 0.81 5.08 -1.19 -3.41 114.58 117.33 2tct h GLU 19 Ca 0.28 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2tct h GLU 19 Cb -0.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2tct h GLU 19 CO -0.06 1.08 -1.65 0.25 -1.00 0.00 0.00 179.01 177.63 2tct n THR 20 N -4.23 0.00 -0.30 1.13 -2.24 -0.12 -5.11 114.28 103.41 2tct n THR 20 Ca -0.09 -0.33 0.04 0.00 -2.27 0.00 0.00 64.05 61.40 2tct n THR 20 Cb 0.64 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 2tct n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2tct n GLY 21 N 1.68 -1.55 0.18 3.38 0.00 0.86 -3.86 105.19 105.88 2tct n GLY 21 Ca -0.03 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.61 2tct n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2tct h ILE 22 N -0.28 0.55 0.00 -0.61 2.10 -1.86 -2.42 117.51 114.99 2tct h ILE 22 Ca 0.00 -1.64 -0.02 0.00 1.08 0.00 0.00 64.86 64.27 2tct h ILE 22 Cb 0.27 2.17 -0.00 0.00 -1.09 0.00 0.00 36.82 38.17 2tct h ILE 22 CO 0.00 0.29 -0.75 0.44 -1.08 0.00 0.00 178.15 177.06 2tct h ASP 23 N 0.00 0.00 -0.41 2.19 3.32 -1.99 -3.19 116.42 116.35 2tct h ASP 23 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2tct h ASP 23 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2tct h ASP 23 CO 0.04 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 2tct n GLY 24 N 1.18 1.48 3.59 2.75 0.00 -1.06 -4.78 105.19 108.36 2tct n GLY 24 Ca 0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 2tct n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2tct s LEU 25 N -1.37 4.14 0.08 0.99 0.20 -0.94 -4.89 118.68 116.89 2tct s LEU 25 Ca 0.38 0.29 0.02 0.00 0.69 0.00 0.00 54.13 55.50 2tct s LEU 25 Cb 0.21 -2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 2tct s LEU 25 CO 0.30 -0.32 -0.07 0.42 -0.29 0.00 0.00 176.35 176.39 2tct s THR 26 N 2.28 0.60 0.42 3.68 -4.23 -1.26 -4.99 115.64 112.14 2tct s THR 26 Ca 0.19 -1.68 0.10 0.00 -1.18 0.00 0.00 61.69 59.12 2tct s THR 26 Cb -0.16 -1.35 0.22 0.00 1.34 0.00 0.00 72.50 72.56 2tct s THR 26 CO 0.11 -0.74 2.02 0.71 -0.54 0.00 0.00 174.62 176.17 2tct h THR 27 N 3.43 1.11 -0.22 3.99 1.35 -1.96 -0.22 112.91 120.39 2tct h THR 27 Ca -0.35 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.10 2tct h THR 27 Cb 1.17 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 2tct h THR 27 CO 0.58 0.14 0.04 -0.09 -0.25 0.00 0.00 175.52 175.94 2tct h ARG 28 N 0.33 0.36 -0.42 4.72 2.43 -1.99 0.89 114.38 120.70 2tct h ARG 28 Ca 0.08 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2tct h ARG 28 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2tct h ARG 28 CO -0.01 0.49 0.08 0.87 -1.51 0.00 0.00 179.97 179.90 2tct h LYS 29 N 0.17 0.64 -0.45 0.20 6.56 -1.82 -2.69 116.57 119.18 2tct h LYS 29 Ca 0.07 -0.12 -0.14 0.00 -1.06 0.00 0.00 60.65 59.40 2tct h LYS 29 Cb 0.30 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2tct h LYS 29 CO 0.00 0.60 -0.26 1.25 -2.06 0.00 0.00 179.45 178.98 2tct h LEU 30 N 0.62 1.01 -0.09 2.94 6.46 -0.28 -0.98 115.31 125.00 2tct h LEU 30 Ca 0.14 -0.42 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2tct h LEU 30 Cb 0.27 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 2tct h LEU 30 CO 0.00 1.21 0.01 0.00 -0.62 0.00 0.00 178.44 179.04 2tct h ALA 31 N 0.84 0.08 -0.60 1.25 0.00 -0.73 -0.07 119.26 120.02 2tct h ALA 31 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2tct h ALA 31 Cb 0.85 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2tct h ALA 31 CO 0.07 -0.45 0.33 1.96 0.00 0.00 0.00 179.25 181.16 2tct h GLN 32 N 0.05 0.60 -0.85 0.00 4.20 -1.36 0.43 115.11 118.19 2tct h GLN 32 Ca 0.04 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2tct h GLN 32 Cb 0.03 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 2tct h GLN 32 CO -0.05 0.40 0.55 -0.22 -0.67 0.00 0.00 178.83 178.83 2tct h LYS 33 N 0.62 1.05 0.00 1.46 3.64 -0.69 -0.74 116.57 121.90 2tct h LYS 33 Ca 0.27 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2tct h LYS 33 Cb 0.16 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2tct h LYS 33 CO -0.17 0.69 0.00 1.28 -2.27 0.00 0.00 179.45 178.98 2tct n LEU 34 N -4.54 0.00 -2.55 5.20 4.77 -0.08 -4.92 117.00 114.86 2tct n LEU 34 Ca 0.10 0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 56.33 2tct n LEU 34 Cb 0.07 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 2tct n LEU 34 CO 0.34 -0.01 0.14 0.61 -1.33 0.00 0.00 177.39 177.14 2tct n GLY 35 N 1.29 -0.05 3.24 -0.72 0.00 0.14 -4.24 105.19 104.85 2tct n GLY 35 Ca 0.10 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2tct n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2tct s ILE 36 N -3.22 0.44 0.48 -0.61 -4.36 -0.77 -4.80 121.20 108.36 2tct s ILE 36 Ca 0.28 -1.97 -0.19 0.00 -0.26 0.00 0.00 60.65 58.51 2tct s ILE 36 Cb -0.12 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.21 2tct s ILE 36 CO 0.48 -0.29 0.98 -1.61 0.24 0.00 0.00 174.94 174.75 2tct s GLU 37 N -4.01 4.00 0.43 0.37 0.41 -1.26 -4.03 118.70 114.61 2tct s GLU 37 Ca 0.30 1.11 0.10 0.00 -0.41 0.00 0.00 54.97 56.07 2tct s GLU 37 Cb 0.07 -2.14 0.94 0.00 -1.78 0.00 0.00 34.13 31.22 2tct s GLU 37 CO 0.07 -0.23 2.03 1.96 -0.49 0.00 0.00 175.26 178.60 2tct h GLN 38 N 1.41 0.30 -0.38 1.61 4.20 -1.94 -1.34 115.11 118.97 2tct h GLN 38 Ca -0.48 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 2tct h GLN 38 Cb 1.19 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 2tct h GLN 38 CO 0.61 0.27 0.17 -1.35 -0.67 0.00 0.00 178.83 177.86 2tct h PRO 39 N 0.30 0.53 -0.07 1.46 0.11 -1.99 -0.32 132.00 132.01 2tct h PRO 39 Ca 0.07 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2tct h PRO 39 Cb 0.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2tct h PRO 39 CO -0.00 0.42 0.01 1.15 -0.21 0.00 0.00 178.00 179.37 2tct h THR 40 N 0.53 1.23 -0.37 -1.15 2.02 -1.67 -2.88 112.91 110.63 2tct h THR 40 Ca 0.13 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.63 2tct h THR 40 Cb 0.08 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2tct h THR 40 CO -0.02 0.20 0.16 0.25 0.37 0.00 0.00 175.52 176.49 2tct h LEU 41 N -0.14 0.22 -1.40 2.58 5.85 -0.84 -2.63 115.31 118.95 2tct h LEU 41 Ca 0.02 0.03 0.26 0.00 0.84 0.00 0.00 57.88 59.02 2tct h LEU 41 Cb 0.31 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2tct h LEU 41 CO 0.00 0.17 0.66 0.22 -0.34 0.00 0.00 178.44 179.15 2tct h TYR 42 N 0.34 0.62 -0.42 1.25 3.20 -1.01 0.18 116.97 121.13 2tct h TYR 42 Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2tct h TYR 42 Cb 0.10 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2tct h TYR 42 CO -0.12 0.08 0.21 2.35 -1.64 0.00 0.00 178.16 179.04 2tct h TRP 43 N 0.39 0.57 0.01 -3.82 7.01 -1.24 -3.33 115.95 115.54 2tct h TRP 43 Ca 0.57 -0.01 -0.31 0.00 2.11 0.00 0.00 58.89 61.25 2tct h TRP 43 Cb 1.46 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 28.29 2tct h TRP 43 CO -0.00 0.42 -1.70 0.72 -2.79 0.00 0.00 178.44 175.09 2tct n HIS 44 N -4.41 0.76 -4.02 2.65 8.25 0.45 -4.86 115.22 114.05 2tct n HIS 44 Ca 0.03 0.30 -0.33 0.00 -0.26 0.00 0.00 57.72 57.46 2tct n HIS 44 Cb 0.12 -1.08 -0.15 0.00 1.12 0.00 0.00 29.99 30.00 2tct n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2tct s VAL 45 N -2.42 2.43 0.21 1.59 1.01 -0.18 -5.03 120.40 118.01 2tct s VAL 45 Ca -0.31 -1.55 -0.03 0.00 0.00 0.00 0.00 61.98 60.09 2tct s VAL 45 Cb 0.08 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 34.06 2tct s VAL 45 CO 0.59 -0.04 1.60 0.11 0.00 0.00 0.00 175.10 177.35 2tct h LYS 46 N 7.85 0.69 -2.58 2.72 1.79 -1.84 -3.35 116.57 121.84 2tct h LYS 46 Ca -0.20 -0.31 0.13 0.00 -2.18 0.00 0.00 60.65 58.09 2tct h LYS 46 Cb 1.05 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.62 2tct h LYS 46 CO 0.49 0.91 0.41 0.54 -1.08 0.00 0.00 179.45 180.72 2tct s ASN 47 N -6.81 -0.17 0.33 0.86 2.20 -1.26 -4.98 114.94 105.11 2tct s ASN 47 Ca -0.09 -0.54 0.01 0.00 -0.94 0.00 0.00 52.86 51.31 2tct s ASN 47 Cb 0.13 0.58 0.57 0.00 -2.00 0.00 0.00 41.25 40.53 2tct s ASN 47 CO 0.83 -1.09 1.98 0.50 -2.94 0.00 0.00 177.10 176.38 2tct h LYS 48 N 2.00 0.93 -0.55 3.55 3.64 -1.97 -2.34 116.57 121.82 2tct h LYS 48 Ca -0.24 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 2tct h LYS 48 Cb 1.24 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2tct h LYS 48 CO 0.27 0.61 0.19 -0.09 -2.27 0.00 0.00 179.45 178.16 2tct h ARG 49 N 0.95 0.85 -0.89 1.90 9.65 -1.98 -0.35 114.38 124.51 2tct h ARG 49 Ca 0.28 -0.17 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2tct h ARG 49 Cb -0.03 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.37 2tct h ARG 49 CO -0.07 0.76 0.57 0.00 2.80 0.00 0.00 179.97 184.03 2tct h ALA 50 N 1.05 1.19 0.08 2.80 0.00 -1.93 0.23 119.26 122.68 2tct h ALA 50 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2tct h ALA 50 Cb 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2tct h ALA 50 CO -0.01 0.41 -0.04 1.25 0.00 0.00 0.00 179.25 180.86 2tct h LEU 51 N 1.10 -0.10 -0.83 0.00 5.85 -0.96 -2.36 115.31 118.00 2tct h LEU 51 Ca 0.36 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2tct h LEU 51 Cb 0.04 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2tct h LEU 51 CO -0.13 0.34 0.38 -0.07 -0.34 0.00 0.00 178.44 178.62 2tct h LEU 52 N -0.56 1.11 -0.91 2.25 3.38 -0.82 -0.11 115.31 119.66 2tct h LEU 52 Ca -0.01 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.90 2tct h LEU 52 Cb 0.47 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 2tct h LEU 52 CO 0.02 0.95 0.56 0.44 0.09 0.00 0.00 178.44 180.50 2tct h ASP 53 N 1.20 0.85 0.21 -0.43 3.32 -0.53 -1.25 116.42 119.78 2tct h ASP 53 Ca 0.28 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 2tct h ASP 53 Cb 0.15 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2tct h ASP 53 CO -0.03 0.50 -0.81 0.00 -1.72 0.00 0.00 179.24 177.18 2tct h ALA 54 N 1.46 0.47 -0.52 3.45 0.00 -0.82 -2.88 119.26 120.42 2tct h ALA 54 Ca 0.42 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2tct h ALA 54 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2tct h ALA 54 CO -0.22 0.76 0.15 -0.07 0.00 0.00 0.00 179.25 179.87 2tct h LEU 55 N 0.31 0.77 -0.97 0.00 4.07 -0.34 -0.75 115.31 118.40 2tct h LEU 55 Ca -0.05 -0.22 0.07 0.00 0.08 0.00 0.00 57.88 57.76 2tct h LEU 55 Cb 1.41 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 42.88 2tct h LEU 55 CO 0.14 0.79 0.62 0.00 -1.08 0.00 0.00 178.44 178.91 2tct h ALA 56 N 1.01 1.36 -0.15 1.53 0.00 -1.11 0.59 119.26 122.50 2tct h ALA 56 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2tct h ALA 56 Cb 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2tct h ALA 56 CO -0.00 0.37 -0.19 0.28 0.00 0.00 0.00 179.25 179.71 2tct h VAL 57 N 1.10 1.35 -0.66 0.00 2.07 -1.30 -3.23 116.25 115.58 2tct h VAL 57 Ca 0.43 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2tct h VAL 57 Cb 0.22 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2tct h VAL 57 CO -0.19 0.41 0.12 -0.33 0.02 0.00 0.00 177.57 177.60 2tct h GLU 58 N 0.03 1.09 -0.83 1.57 4.39 -0.14 -0.19 114.58 120.50 2tct h GLU 58 Ca 0.02 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2tct h GLU 58 Cb 0.75 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 2tct h GLU 58 CO 0.05 0.99 0.48 0.82 -1.16 0.00 0.00 179.01 180.18 2tct h ILE 59 N 1.02 1.24 -0.12 3.13 2.04 -1.00 0.81 117.51 124.63 2tct h ILE 59 Ca 0.20 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2tct h ILE 59 Cb 0.42 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2tct h ILE 59 CO 0.01 0.26 -0.22 -0.07 0.00 0.00 0.00 178.15 178.13 2tct h LEU 60 N 1.14 0.40 -0.78 1.44 3.38 -1.53 0.35 115.31 119.71 2tct h LEU 60 Ca 0.29 -0.55 0.13 0.00 0.09 0.00 0.00 57.88 57.84 2tct h LEU 60 Cb -0.01 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 2tct h LEU 60 CO -0.05 0.87 0.37 0.00 0.09 0.00 0.00 178.44 179.73 2tct h ALA 61 N 0.54 1.13 0.00 1.53 0.00 -0.89 0.21 119.26 121.77 2tct h ALA 61 Ca 0.01 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2tct h ALA 61 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2tct h ALA 61 CO 0.05 -0.10 -0.85 0.00 0.00 0.00 0.00 179.25 178.35 2tct h ARG 62 N 0.57 0.07 0.00 0.00 3.08 -0.81 -3.42 114.38 113.88 2tct h ARG 62 Ca 0.41 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2tct h ARG 62 Cb 0.55 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2tct h ARG 62 CO -0.34 0.87 -0.01 0.72 -1.07 0.00 0.00 179.97 180.14 2tct n HIS 63 N -3.59 0.00 -3.12 3.04 8.25 0.11 -4.91 115.22 114.99 2tct n HIS 63 Ca -0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.99 2tct n HIS 63 Cb 0.80 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.88 2tct n HIS 63 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2tct s HIS 64 N -0.49 3.35 -0.17 4.41 5.04 0.66 -4.36 115.29 123.74 2tct s HIS 64 Ca 0.00 -1.54 0.17 0.00 -1.54 0.00 0.00 55.06 52.15 2tct s HIS 64 Cb 0.00 -4.04 -0.00 0.00 0.04 0.00 0.00 32.58 28.57 2tct s HIS 64 CO 0.00 -1.25 1.18 0.38 -2.34 0.00 0.00 174.74 172.71 2tct h ASP 65 N 8.49 0.00 -2.26 9.88 3.04 -1.86 -3.39 116.42 130.32 2tct h ASP 65 Ca 0.04 0.00 -0.80 0.00 -3.24 0.00 0.00 57.03 53.04 2tct h ASP 65 Cb 1.04 0.00 -0.25 0.00 -1.04 0.00 0.00 39.33 39.09 2tct h ASP 65 CO 0.97 0.46 1.21 0.00 -2.04 0.00 0.00 179.24 179.83 2tct n TYR 66 N -3.04 2.57 0.13 4.15 4.19 -1.26 -4.72 117.16 119.18 2tct n TYR 66 Ca -0.02 -2.61 0.12 0.00 3.31 0.00 0.00 57.90 58.69 2tct n TYR 66 Cb 0.75 -1.36 0.02 0.00 0.49 0.00 0.00 39.34 39.24 2tct n TYR 66 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2tct h SER 67 N 4.80 0.00 -4.11 2.98 4.64 -1.94 -3.38 113.55 116.54 2tct h SER 67 Ca 0.43 -0.01 -0.58 0.00 -0.47 0.00 0.00 61.79 61.16 2tct h SER 67 Cb 0.44 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.32 2tct h SER 67 CO 1.31 0.00 -0.83 -0.76 -0.87 0.00 0.00 176.83 175.68 2tct s LEU 68 N -5.41 2.31 0.42 5.97 2.01 -1.26 -4.87 118.68 117.84 2tct s LEU 68 Ca 0.01 -0.70 -0.26 0.00 0.01 0.00 0.00 54.13 53.18 2tct s LEU 68 Cb 0.09 -0.95 -0.09 0.00 0.01 0.00 0.00 46.19 45.25 2tct s LEU 68 CO 0.77 0.08 1.36 -2.84 1.01 0.00 0.00 176.35 176.74 2tct s PRO 69 N -1.96 3.88 0.86 1.29 0.02 -1.26 -5.03 135.00 132.80 2tct s PRO 69 Ca 0.08 2.28 -0.11 0.00 0.02 0.00 0.00 61.00 63.27 2tct s PRO 69 Cb -0.10 -2.74 0.11 0.00 0.02 0.00 0.00 34.50 31.78 2tct s PRO 69 CO 0.05 -0.61 1.09 0.00 -0.33 0.00 0.00 177.00 177.20 2tct s ALA 70 N -1.23 1.77 0.06 -1.55 0.00 -1.26 -4.96 121.76 114.59 2tct s ALA 70 Ca 0.58 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.33 2tct s ALA 70 Cb -0.41 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 2tct s ALA 70 CO 0.53 -2.18 1.54 0.00 0.00 0.00 0.00 175.76 175.64 2tct s ALA 71 N -2.89 3.65 0.00 0.00 0.00 -1.26 -1.95 121.76 119.30 2tct s ALA 71 Ca 0.63 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2tct s ALA 71 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2tct s ALA 71 CO 0.57 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2tct n GLY 72 N 3.82 1.61 3.76 0.00 0.00 -1.26 -5.00 105.19 108.11 2tct n GLY 72 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2tct n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2tct s GLU 73 N -0.07 4.32 0.77 1.61 2.12 -0.82 -5.01 118.70 121.62 2tct s GLU 73 Ca 0.00 2.24 -0.12 0.00 0.36 0.00 0.00 54.97 57.45 2tct s GLU 73 Cb 0.00 -3.10 0.06 0.00 0.26 0.00 0.00 34.13 31.36 2tct s GLU 73 CO 0.00 -0.29 1.12 -1.54 -0.54 0.00 0.00 175.26 174.01 2tct s SER 74 N -0.08 4.26 0.43 -1.70 1.04 -1.26 -4.86 113.70 111.53 2tct s SER 74 Ca 0.54 2.00 0.13 0.00 0.48 0.00 0.00 55.95 59.10 2tct s SER 74 Cb -0.40 -2.54 0.93 0.00 0.10 0.00 0.00 66.02 64.11 2tct s SER 74 CO 0.48 -2.21 1.96 4.11 0.98 0.00 0.00 173.24 178.57 2tct h TRP 75 N -0.95 0.05 -0.18 5.02 5.08 -1.95 -0.66 115.95 122.36 2tct h TRP 75 Ca -0.45 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 2tct h TRP 75 Cb 1.25 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 2tct h TRP 75 CO 0.54 0.24 -0.02 1.96 -1.28 0.00 0.00 178.44 179.88 2tct h GLN 76 N 0.04 0.32 -0.35 0.12 7.50 -1.98 -0.31 115.11 120.46 2tct h GLN 76 Ca 0.01 -0.11 -0.06 0.00 0.50 0.00 0.00 58.65 58.98 2tct h GLN 76 Cb 0.36 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 2tct h GLN 76 CO 0.03 0.56 -0.03 1.03 -1.50 0.00 0.00 178.83 178.92 2tct h SER 77 N 0.05 0.62 -0.04 1.46 0.87 -1.86 -1.86 113.55 112.79 2tct h SER 77 Ca 0.05 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2tct h SER 77 Cb 0.43 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2tct h SER 77 CO 0.01 0.80 -0.01 0.15 -0.53 0.00 0.00 176.83 177.25 2tct h PHE 78 N 0.43 -0.03 -0.86 2.24 3.57 -0.91 -1.57 116.94 119.81 2tct h PHE 78 Ca 0.09 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2tct h PHE 78 Cb 0.50 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 2tct h PHE 78 CO 0.04 -0.02 0.55 -0.07 -2.23 0.00 0.00 178.31 176.58 2tct h LEU 79 N -0.00 0.89 0.13 0.59 4.07 -0.94 0.87 115.31 120.92 2tct h LEU 79 Ca 0.02 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.99 2tct h LEU 79 Cb 0.04 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2tct h LEU 79 CO -0.05 0.60 -0.17 -0.09 -1.08 0.00 0.00 178.44 177.65 2tct h ARG 80 N 1.04 -0.34 -0.47 1.13 2.43 -1.15 -1.58 114.38 115.45 2tct h ARG 80 Ca 0.36 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.43 2tct h ARG 80 Cb 0.07 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2tct h ARG 80 CO -0.14 -0.22 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.02 2tct h ASN 81 N -0.35 0.92 -0.03 -3.80 2.35 -0.69 -2.02 115.58 111.96 2tct h ASN 81 Ca 0.01 -0.32 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 2tct h ASN 81 Cb 0.35 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2tct h ASN 81 CO -0.07 1.07 -0.32 -1.13 -1.65 0.00 0.00 177.43 175.33 2tct h ASN 82 N 0.80 0.50 -0.21 5.81 -0.73 -0.75 -1.98 115.58 119.02 2tct h ASN 82 Ca 0.12 -0.19 -0.21 0.00 1.87 0.00 0.00 56.30 57.89 2tct h ASN 82 Cb 0.70 -0.14 0.01 0.00 0.27 0.00 0.00 38.32 39.16 2tct h ASN 82 CO 0.05 0.80 -0.67 0.00 -0.37 0.00 0.00 177.43 177.24 2tct h ALA 83 N 1.24 0.39 -0.36 1.57 0.00 -0.99 -0.13 119.26 120.97 2tct h ALA 83 Ca 0.05 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2tct h ALA 83 Cb 0.77 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2tct h ALA 83 CO 0.06 0.68 -0.36 0.52 0.00 0.00 0.00 179.25 180.15 2tct h MET 84 N 0.60 0.84 -0.50 0.00 2.86 -1.22 -1.18 114.93 116.34 2tct h MET 84 Ca -0.02 -0.42 -0.06 0.00 -2.06 0.00 0.00 59.70 57.13 2tct h MET 84 Cb 1.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 2tct h MET 84 CO 0.14 1.06 0.06 1.03 1.06 0.00 0.00 176.91 180.26 2tct h SER 85 N 0.70 0.81 -0.27 1.22 0.87 -1.22 -2.31 113.55 113.34 2tct h SER 85 Ca 0.06 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2tct h SER 85 Cb 0.92 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2tct h SER 85 CO 0.09 0.88 0.15 0.15 -0.53 0.00 0.00 176.83 177.56 2tct h PHE 86 N 0.71 0.27 -0.35 2.24 3.57 -0.75 -1.31 116.94 121.32 2tct h PHE 86 Ca 0.15 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2tct h PHE 86 Cb 0.43 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 2tct h PHE 86 CO 0.03 0.16 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.16 2tct h ARG 87 N 0.31 0.07 -0.31 1.11 2.43 -1.11 -1.89 114.38 114.99 2tct h ARG 87 Ca 0.11 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2tct h ARG 87 Cb 0.01 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2tct h ARG 87 CO -0.06 0.05 0.15 -0.09 -1.51 0.00 0.00 179.97 178.51 2tct h ARG 88 N 0.08 0.31 -0.64 0.20 2.43 -1.23 -1.30 114.38 114.23 2tct h ARG 88 Ca 0.17 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2tct h ARG 88 Cb 0.24 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2tct h ARG 88 CO -0.30 0.20 0.17 0.00 -1.51 0.00 0.00 179.97 178.54 2tct h ALA 89 N 1.16 0.85 -0.13 2.80 0.00 -1.00 -2.69 119.26 120.25 2tct h ALA 89 Ca 0.13 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2tct h ALA 89 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2tct h ALA 89 CO -0.09 0.55 -0.32 -0.07 0.00 0.00 0.00 179.25 179.32 2tct h LEU 90 N 0.94 0.25 0.00 0.00 3.38 -1.15 -2.93 115.31 115.80 2tct h LEU 90 Ca 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2tct h LEU 90 Cb 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2tct h LEU 90 CO -0.00 0.57 -0.13 -0.07 0.09 0.00 0.00 178.44 178.89 2tct h LEU 91 N 0.22 0.00 -2.04 1.67 3.38 -1.24 -3.19 115.31 114.11 2tct h LEU 91 Ca 0.03 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2tct h LEU 91 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2tct h LEU 91 CO 0.05 0.10 0.32 -0.09 0.09 0.00 0.00 178.44 178.92 2tct h ARG 92 N 0.00 0.00 -5.87 1.13 9.65 -1.28 -3.43 114.38 114.59 2tct h ARG 92 Ca -0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 2tct h ARG 92 Cb 1.08 0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.41 2tct h ARG 92 CO 0.01 0.00 -0.83 0.71 2.80 0.00 0.00 179.97 182.67 2tct s TYR 93 N -4.91 1.64 0.11 2.20 2.02 -1.26 -5.06 117.35 112.09 2tct s TYR 93 Ca -0.05 -0.37 -0.36 0.00 -0.37 0.00 0.00 57.07 55.92 2tct s TYR 93 Cb 0.18 -0.96 -0.16 0.00 -0.40 0.00 0.00 41.96 40.62 2tct s TYR 93 CO 0.67 0.09 1.41 -2.13 -1.57 0.00 0.00 175.55 174.02 2tct n ARG 94 N 1.77 1.44 -2.11 -0.62 0.63 -1.26 0.21 116.66 116.73 2tct n ARG 94 Ca -0.18 0.52 -0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2tct n ARG 94 Cb 0.54 -2.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.23 2tct n ARG 94 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2tct n ASP 95 N 2.77 -3.61 -0.24 6.15 8.00 -1.26 -4.71 116.55 123.65 2tct n ASP 95 Ca 0.18 0.23 0.04 0.00 0.71 0.00 0.00 54.79 55.95 2tct n ASP 95 Cb 0.22 -3.17 0.16 0.00 -0.02 0.00 0.00 41.12 38.32 2tct n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2tct h GLY 96 N 0.00 1.05 1.20 0.44 0.00 -0.29 -0.94 103.07 104.53 2tct h GLY 96 Ca -0.27 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 2tct h GLY 96 CO 0.34 -0.08 -0.34 0.00 0.00 0.00 0.00 176.54 176.46 2tct h ALA 97 N 1.52 0.67 0.00 3.60 0.00 -1.81 -1.90 119.26 121.33 2tct h ALA 97 Ca 0.38 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2tct h ALA 97 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2tct h ALA 97 CO -0.39 0.67 -0.23 0.87 0.00 0.00 0.00 179.25 180.17 2tct h LYS 98 N 0.73 0.00 -0.25 0.00 1.57 -1.78 -1.34 116.57 115.51 2tct h LYS 98 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2tct h LYS 98 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2tct h LYS 98 CO 0.08 0.23 -0.32 0.28 -0.57 0.00 0.00 179.45 179.16 2tct h VAL 99 N 0.00 1.28 -0.20 0.50 2.07 -0.43 -3.21 116.25 116.27 2tct h VAL 99 Ca -0.00 -1.41 -0.13 0.00 0.82 0.00 0.00 66.70 65.98 2tct h VAL 99 Cb 0.54 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2tct h VAL 99 CO 0.03 0.45 -0.36 -0.74 0.02 0.00 0.00 177.57 176.96 2tct h HIS 100 N 0.45 0.76 -0.95 1.57 -0.00 -0.95 -3.43 115.15 112.60 2tct h HIS 100 Ca 0.05 -0.27 -0.80 0.00 -0.00 0.00 0.00 60.37 59.36 2tct h HIS 100 Cb 0.78 -0.14 0.03 0.00 -0.00 0.00 0.00 27.41 28.07 2tct h HIS 100 CO 0.03 1.01 0.37 1.28 -0.00 0.00 0.00 177.93 180.62 2tct n LEU 101 N -4.27 0.60 0.00 0.26 4.77 -0.54 -1.62 117.00 116.19 2tct n LEU 101 Ca -0.06 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 2tct n LEU 101 Cb 0.51 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2tct n LEU 101 CO 0.45 -1.29 0.00 0.61 -1.33 0.00 0.00 177.39 175.83 2tct n GLY 102 N 2.68 2.58 3.69 -0.72 0.00 -1.26 -5.04 105.19 107.12 2tct n GLY 102 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 2tct n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2tct s THR 103 N -2.19 2.23 0.22 2.61 -4.23 -0.64 -5.08 115.64 108.56 2tct s THR 103 Ca 0.00 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.65 2tct s THR 103 Cb 0.00 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 2tct s THR 103 CO 0.00 -0.10 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.75 2tct s ARG 104 N -4.95 1.34 0.10 3.99 1.81 -1.26 -5.09 118.95 114.89 2tct s ARG 104 Ca 0.65 -1.63 -0.35 0.00 -1.72 0.00 0.00 55.73 52.68 2tct s ARG 104 Cb -0.18 -0.99 -0.15 0.00 -0.45 0.00 0.00 34.95 33.18 2tct s ARG 104 CO 0.57 0.10 1.53 -2.30 -0.68 0.00 0.00 175.30 174.52 2tct n PRO 105 N -0.41 1.77 -1.91 3.54 -0.02 -1.26 -4.97 135.00 131.74 2tct n PRO 105 Ca -0.07 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 2tct n PRO 105 Cb 0.62 -2.37 0.05 0.00 -0.02 0.00 0.00 33.50 31.77 2tct n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2tct s ASP 106 N 1.13 5.42 0.38 2.55 2.15 -1.26 -4.88 116.67 122.16 2tct s ASP 106 Ca 0.83 1.10 0.07 0.00 0.43 0.00 0.00 52.55 54.98 2tct s ASP 106 Cb -0.79 -1.90 0.81 0.00 -0.30 0.00 0.00 42.92 40.74 2tct s ASP 106 CO 0.43 -1.35 1.99 -0.33 -0.17 0.00 0.00 175.17 175.74 2tct h GLU 107 N -0.64 0.64 0.00 4.34 3.07 -2.01 0.47 114.58 120.45 2tct h GLU 107 Ca -0.45 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2tct h GLU 107 Cb 1.26 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2tct h GLU 107 CO 0.64 0.42 0.00 0.87 -1.40 0.00 0.00 179.01 179.54 2tct h LYS 108 N 0.66 0.00 -0.00 2.33 1.57 -2.02 -2.80 116.57 116.31 2tct h LYS 108 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2tct h LYS 108 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2tct h LYS 108 CO -0.08 0.00 -0.68 1.04 -0.57 0.00 0.00 179.45 179.16 2tct n GLN 109 N -2.67 1.59 -0.32 3.15 6.02 0.16 -4.71 117.38 120.60 2tct n GLN 109 Ca 0.00 -0.19 -0.04 0.00 -0.01 0.00 0.00 57.00 56.76 2tct n GLN 109 Cb 0.21 -1.28 0.01 0.00 1.02 0.00 0.00 30.24 30.19 2tct n GLN 109 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2tct h TYR 110 N 0.44 -1.17 -0.70 1.08 -1.99 -1.08 -1.04 116.97 112.50 2tct h TYR 110 Ca 0.00 0.10 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 2tct h TYR 110 Cb 0.43 0.64 -0.03 0.00 2.00 0.00 0.00 36.73 39.77 2tct h TYR 110 CO 0.00 -0.40 0.20 -0.44 -0.00 0.00 0.00 178.16 177.52 2tct h ASP 111 N -0.07 1.04 -0.01 3.88 3.32 -1.84 0.46 116.42 123.20 2tct h ASP 111 Ca 0.28 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2tct h ASP 111 Cb 0.56 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2tct h ASP 111 CO -0.87 0.98 0.01 0.74 -1.72 0.00 0.00 179.24 178.37 2tct h THR 112 N 1.04 1.03 -0.03 0.35 2.02 -1.72 -1.34 112.91 114.26 2tct h THR 112 Ca 0.22 -0.08 -0.18 0.00 0.77 0.00 0.00 66.41 67.14 2tct h THR 112 Cb 0.33 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2tct h THR 112 CO -0.00 0.02 -0.78 -0.37 0.37 0.00 0.00 175.52 174.76 2tct h VAL 113 N -0.02 1.43 -0.26 3.16 -1.51 -1.05 -2.51 116.25 115.49 2tct h VAL 113 Ca 0.00 -2.33 0.03 0.00 -1.23 0.00 0.00 66.70 63.17 2tct h VAL 113 Cb 0.03 2.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 2tct h VAL 113 CO -0.00 0.69 0.07 -0.08 -1.23 0.00 0.00 177.57 177.02 2tct h GLU 114 N 0.18 0.18 -0.71 5.19 4.57 -0.84 -2.07 114.58 121.07 2tct h GLU 114 Ca -0.03 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 2tct h GLU 114 Cb 1.36 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.86 2tct h GLU 114 CO 0.12 0.12 0.42 1.15 -1.18 0.00 0.00 179.01 179.64 2tct h THR 115 N 0.18 1.00 -0.52 0.32 2.02 -1.01 -1.51 112.91 113.41 2tct h THR 115 Ca 0.12 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.06 2tct h THR 115 Cb 0.10 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 2tct h THR 115 CO -0.13 0.14 0.30 1.56 0.37 0.00 0.00 175.52 177.76 2tct h GLN 116 N 0.77 0.58 -0.34 6.66 4.20 -1.01 0.85 115.11 126.82 2tct h GLN 116 Ca 0.31 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 2tct h GLN 116 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2tct h GLN 116 CO -0.17 0.38 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.13 2tct h LEU 117 N 0.59 0.74 -0.51 1.46 3.38 -1.11 -2.58 115.31 117.29 2tct h LEU 117 Ca 0.21 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2tct h LEU 117 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2tct h LEU 117 CO -0.11 0.99 0.31 -0.09 0.09 0.00 0.00 178.44 179.64 2tct h ARG 118 N 0.49 0.68 -0.81 1.13 2.43 -0.95 -2.44 114.38 114.92 2tct h ARG 118 Ca 0.07 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2tct h ARG 118 Cb 0.72 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 2tct h ARG 118 CO 0.05 0.49 0.43 0.35 -1.51 0.00 0.00 179.97 179.78 2tct h PHE 119 N 0.68 0.76 -0.39 2.20 3.57 -0.82 0.54 116.94 123.49 2tct h PHE 119 Ca 0.18 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 2tct h PHE 119 Cb -0.03 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 2tct h PHE 119 CO -0.03 0.24 -0.27 0.52 -2.23 0.00 0.00 178.31 176.53 2tct h MET 120 N 0.66 0.82 -0.10 1.11 2.86 -1.08 -2.51 114.93 116.70 2tct h MET 120 Ca 0.42 -0.37 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2tct h MET 120 Cb 0.51 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2tct h MET 120 CO -0.31 1.00 -0.42 1.79 1.06 0.00 0.00 176.91 180.03 2tct h THR 121 N 0.70 1.31 0.00 2.22 1.35 -0.79 -0.53 112.91 117.17 2tct h THR 121 Ca 0.08 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 2tct h THR 121 Cb 0.81 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2tct h THR 121 CO 0.07 0.45 0.00 -0.33 -0.25 0.00 0.00 175.52 175.46 2tct h GLU 122 N 0.19 0.00 -0.55 4.72 5.08 -0.79 -2.35 114.58 120.87 2tct h GLU 122 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2tct h GLU 122 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2tct h GLU 122 CO 0.06 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 2tct n ASN 123 N -2.44 3.44 0.00 1.42 3.02 -0.25 -4.93 115.26 115.52 2tct n ASN 123 Ca 0.01 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2tct n ASN 123 Cb 0.21 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 2tct n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2tct n GLY 124 N 1.53 1.73 3.78 7.41 0.00 -0.88 -5.06 105.19 113.69 2tct n GLY 124 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2tct n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2tct s PHE 125 N -2.31 3.04 0.96 1.61 0.40 -0.94 -4.98 117.98 115.75 2tct s PHE 125 Ca 0.00 1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 57.79 2tct s PHE 125 Cb 0.00 -3.27 0.16 0.00 0.51 0.00 0.00 43.02 40.42 2tct s PHE 125 CO 0.00 -1.14 1.10 -1.54 0.70 0.00 0.00 175.22 174.34 2tct s SER 126 N -1.45 3.00 0.10 1.36 1.04 -1.26 -4.06 113.70 112.43 2tct s SER 126 Ca 0.61 1.21 -0.19 0.00 0.48 0.00 0.00 55.95 58.06 2tct s SER 126 Cb -0.26 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 63.93 2tct s SER 126 CO 0.32 -2.90 1.63 0.25 0.98 0.00 0.00 173.24 173.51 2tct h LEU 127 N -1.73 0.37 -0.74 2.42 7.12 -1.96 0.97 115.31 121.76 2tct h LEU 127 Ca -0.53 -0.19 0.01 0.00 0.13 0.00 0.00 57.88 57.30 2tct h LEU 127 Cb 1.32 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 41.32 2tct h LEU 127 CO 0.58 0.46 0.48 -0.09 -0.13 0.00 0.00 178.44 179.74 2tct h ARG 128 N 0.26 0.97 -0.18 1.25 2.43 -1.98 0.57 114.38 117.70 2tct h ARG 128 Ca 0.08 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 2tct h ARG 128 Cb 0.21 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2tct h ARG 128 CO -0.00 0.65 -0.67 -0.44 -1.51 0.00 0.00 179.97 178.00 2tct h ASP 129 N 1.00 0.81 -0.88 -3.80 3.32 -1.78 0.18 116.42 115.27 2tct h ASP 129 Ca 0.27 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2tct h ASP 129 Cb -0.10 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.17 2tct h ASP 129 CO -0.06 1.26 0.49 1.23 -1.72 0.00 0.00 179.24 180.44 2tct h GLY 130 N 0.82 1.31 0.75 2.75 0.00 -0.64 -1.28 103.07 106.79 2tct h GLY 130 Ca -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2tct h GLY 130 CO 0.13 0.57 -0.03 -2.00 0.00 0.00 0.00 176.54 175.21 2tct h LEU 131 N 1.23 0.26 -1.09 3.11 6.46 -0.50 -1.92 115.31 122.86 2tct h LEU 131 Ca 0.31 -0.36 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 2tct h LEU 131 Cb 0.02 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 2tct h LEU 131 CO -0.05 0.55 0.30 1.88 -0.62 0.00 0.00 178.44 180.51 2tct h TYR 132 N -0.04 0.94 0.34 1.25 0.05 -0.76 0.26 116.97 119.01 2tct h TYR 132 Ca 0.04 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2tct h TYR 132 Cb 0.44 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2tct h TYR 132 CO 0.05 0.70 -0.16 0.00 -1.05 0.00 0.00 178.16 177.69 2tct h ALA 133 N 1.40 -0.46 -0.66 3.88 0.00 -1.11 -0.91 119.26 121.40 2tct h ALA 133 Ca 0.23 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2tct h ALA 133 Cb 0.12 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2tct h ALA 133 CO -0.03 -0.68 0.33 0.82 0.00 0.00 0.00 179.25 179.70 2tct h ILE 134 N -0.62 0.90 -0.46 0.00 1.08 -1.20 -1.32 117.51 115.90 2tct h ILE 134 Ca -0.05 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 2tct h ILE 134 Cb 0.45 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2tct h ILE 134 CO 0.08 0.11 -0.03 0.28 -0.69 0.00 0.00 178.15 177.90 2tct h SER 135 N 0.60 0.82 -0.77 1.72 0.02 -0.93 -1.01 113.55 113.99 2tct h SER 135 Ca 0.31 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2tct h SER 135 Cb 0.27 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2tct h SER 135 CO -0.23 0.94 0.28 0.00 -1.14 0.00 0.00 176.83 176.69 2tct h ALA 136 N 0.90 1.03 -0.40 3.77 0.00 -0.74 0.12 119.26 123.94 2tct h ALA 136 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2tct h ALA 136 Cb 0.54 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2tct h ALA 136 CO 0.03 0.67 0.13 0.28 0.00 0.00 0.00 179.25 180.36 2tct h VAL 137 N 1.14 1.21 -0.52 0.00 2.07 -1.11 -1.07 116.25 117.98 2tct h VAL 137 Ca 0.26 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2tct h VAL 137 Cb 0.25 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2tct h VAL 137 CO -0.02 0.25 0.34 0.28 0.02 0.00 0.00 177.57 178.44 2tct h SER 138 N 0.50 0.60 -0.29 0.57 0.02 -0.59 -1.75 113.55 112.60 2tct h SER 138 Ca 0.13 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2tct h SER 138 Cb 0.25 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2tct h SER 138 CO -0.00 0.43 -0.16 0.45 -1.14 0.00 0.00 176.83 176.41 2tct h HIS 139 N 0.70 0.72 -0.54 3.45 3.86 -0.71 -0.74 115.15 121.89 2tct h HIS 139 Ca 0.19 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2tct h HIS 139 Cb -0.08 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 2tct h HIS 139 CO -0.04 0.86 0.33 0.35 0.86 0.00 0.00 177.93 180.30 2tct h PHE 140 N 0.37 0.71 0.07 2.45 3.57 -1.19 -0.87 116.94 122.05 2tct h PHE 140 Ca 0.06 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2tct h PHE 140 Cb 0.68 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2tct h PHE 140 CO 0.06 0.48 -0.03 1.15 -2.23 0.00 0.00 178.31 177.74 2tct h THR 141 N 0.73 1.11 -0.45 4.41 2.02 -1.15 -1.00 112.91 118.58 2tct h THR 141 Ca 0.20 -0.65 0.09 0.00 0.77 0.00 0.00 66.41 66.82 2tct h THR 141 Cb -0.03 1.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 2tct h THR 141 CO -0.04 0.16 -0.07 -0.07 0.37 0.00 0.00 175.52 175.88 2tct h LEU 142 N -0.39 -0.33 -0.40 2.58 -0.00 -1.14 -0.69 115.31 114.95 2tct h LEU 142 Ca -0.01 0.12 0.04 0.00 -0.00 0.00 0.00 57.88 58.03 2tct h LEU 142 Cb 0.34 0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 2tct h LEU 142 CO 0.02 -0.12 0.18 1.23 -0.00 0.00 0.00 178.44 179.75 2tct h GLY 143 N 0.04 0.53 0.85 0.83 0.00 -1.06 0.11 103.07 104.37 2tct h GLY 143 Ca 0.22 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 2tct h GLY 143 CO -0.43 0.07 -0.09 0.00 0.00 0.00 0.00 176.54 176.09 2tct h ALA 144 N 1.23 0.34 -0.44 3.60 0.00 -0.79 -1.97 119.26 121.24 2tct h ALA 144 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2tct h ALA 144 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2tct h ALA 144 CO -0.15 0.17 -0.13 0.28 0.00 0.00 0.00 179.25 179.43 2tct h VAL 145 N 0.22 1.27 -0.61 0.00 2.07 -0.88 -2.52 116.25 115.82 2tct h VAL 145 Ca 0.06 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2tct h VAL 145 Cb 0.57 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2tct h VAL 145 CO 0.03 0.42 0.37 -0.07 0.02 0.00 0.00 177.57 178.34 2tct h LEU 146 N 0.69 0.74 -0.91 2.57 3.38 -0.81 0.24 115.31 121.21 2tct h LEU 146 Ca 0.11 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2tct h LEU 146 Cb 0.67 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2tct h LEU 146 CO 0.05 0.58 0.18 -0.33 0.09 0.00 0.00 178.44 179.01 2tct h GLU 147 N 0.83 0.98 0.46 1.13 4.39 -1.30 0.53 114.58 121.61 2tct h GLU 147 Ca 0.22 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2tct h GLU 147 Cb -0.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2tct h GLU 147 CO -0.04 0.86 -0.22 0.37 -1.16 0.00 0.00 179.01 178.81 2tct h GLN 148 N 0.94 -0.60 -0.81 2.33 4.15 -0.89 -0.88 115.11 119.36 2tct h GLN 148 Ca 0.21 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 2tct h GLN 148 Cb 0.30 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2tct h GLN 148 CO -0.00 -0.30 0.39 1.96 -1.93 0.00 0.00 178.83 178.95 2tct h GLN 149 N -0.96 1.15 0.00 1.69 4.20 -0.51 -2.63 115.11 118.05 2tct h GLN 149 Ca -0.06 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 2tct h GLN 149 Cb 0.58 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2tct h GLN 149 CO 0.10 0.88 -0.39 1.49 -0.67 0.00 0.00 178.83 180.25 2tct h GLU 150 N 1.15 0.00 -0.10 1.46 4.57 -0.91 -1.51 114.58 119.23 2tct h GLU 150 Ca 0.28 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 2tct h GLU 150 Cb 0.10 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2tct h GLU 150 CO -0.04 0.39 -0.04 1.25 -1.18 0.00 0.00 179.01 179.39 2tct h HIS 151 N 0.00 0.23 0.00 0.92 2.76 -0.81 -1.49 115.15 116.77 2tct h HIS 151 Ca -0.00 -0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 57.96 2tct h HIS 151 Cb 1.16 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 2tct h HIS 151 CO 0.00 0.55 -0.72 1.79 -1.30 0.00 0.00 177.93 178.26 2tct h THR 152 N -0.16 1.37 0.21 6.26 1.35 -1.36 -3.34 112.91 117.24 2tct h THR 152 Ca 0.02 -2.58 -0.01 0.00 -0.55 0.00 0.00 66.41 63.29 2tct h THR 152 Cb 0.49 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2tct h THR 152 CO 0.01 0.70 -0.10 0.00 -0.25 0.00 0.00 175.52 175.89 2tct h ALA 153 N 1.28 -1.05 -1.75 6.62 0.00 -1.23 -3.38 119.26 119.75 2tct h ALA 153 Ca -0.01 -0.06 -0.66 0.00 0.00 0.00 0.00 54.91 54.18 2tct h ALA 153 Cb 1.39 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.13 2tct h ALA 153 CO 0.09 -1.03 0.74 0.00 0.00 0.00 0.00 179.25 179.05 2tct s ALA 154 N -3.61 3.21 0.06 0.00 0.00 -0.57 -5.09 121.76 115.76 2tct s ALA 154 Ca -0.04 -2.31 0.04 0.00 0.00 0.00 0.00 51.96 49.66 2tct s ALA 154 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 2tct s ALA 154 CO 0.12 -2.92 -0.13 -0.51 0.00 0.00 0.00 175.76 172.32 2tct s LEU 155 N 3.46 2.25 0.00 0.00 1.43 -1.26 -4.79 118.68 119.77 2tct s LEU 155 Ca 0.28 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2tct s LEU 155 Cb -0.10 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2tct s LEU 155 CO -0.00 -0.08 0.00 -3.20 0.23 0.00 0.00 176.35 173.29 2tct n ASN 165 N 1.46 -2.10 -4.74 2.29 5.15 -1.26 -5.18 115.26 110.88 2tct n ASN 165 Ca -0.21 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.36 2tct n ASN 165 Cb 0.54 -1.76 -0.03 0.00 -0.53 0.00 0.00 39.78 38.00 2tct n ASN 165 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2tct s LEU 166 N 0.00 4.46 0.66 1.20 1.43 -1.26 -5.04 118.68 120.13 2tct s LEU 166 Ca 0.00 2.33 -0.15 0.00 -1.03 0.00 0.00 54.13 55.28 2tct s LEU 166 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2tct s LEU 166 CO 0.00 -0.39 1.11 -2.16 0.23 0.00 0.00 176.35 175.14 2tct s PRO 167 N -0.59 2.77 0.19 1.29 0.04 -1.26 -4.79 135.00 132.66 2tct s PRO 167 Ca 0.52 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 2tct s PRO 167 Cb -0.34 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 32.44 2tct s PRO 167 CO 0.40 -1.27 1.79 -1.00 0.04 0.00 0.00 177.00 176.95 2tct h PRO 168 N -0.01 0.53 0.02 0.56 0.13 -1.99 -1.10 132.00 130.15 2tct h PRO 168 Ca -0.47 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 64.41 2tct h PRO 168 Cb 1.25 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2tct h PRO 168 CO 0.54 0.35 -0.96 -0.07 -0.23 0.00 0.00 178.00 177.63 2tct h LEU 169 N 0.55 0.37 -0.52 1.56 3.38 -1.99 -2.52 115.31 116.15 2tct h LEU 169 Ca 0.26 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2tct h LEU 169 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2tct h LEU 169 CO -0.18 1.14 0.12 0.25 0.09 0.00 0.00 178.44 179.86 2tct h LEU 170 N 0.14 0.80 -0.40 1.67 5.85 -1.87 0.41 115.31 121.92 2tct h LEU 170 Ca -0.07 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.49 2tct h LEU 170 Cb 1.62 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 2tct h LEU 170 CO 0.16 0.83 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.98 2tct h ARG 171 N 0.73 0.08 -0.46 1.25 2.43 -1.19 0.22 114.38 117.44 2tct h ARG 171 Ca 0.16 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2tct h ARG 171 Cb 0.35 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2tct h ARG 171 CO 0.00 0.06 -0.22 1.49 -1.51 0.00 0.00 179.97 179.78 2tct h GLU 172 N 0.09 0.97 -0.73 0.20 4.81 -1.20 -0.70 114.58 118.03 2tct h GLU 172 Ca 0.20 -0.42 0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2tct h GLU 172 Cb 0.28 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 2tct h GLU 172 CO -0.34 1.09 0.42 0.00 -0.73 0.00 0.00 179.01 179.45 2tct h ALA 173 N 0.85 0.98 -0.11 2.92 0.00 0.12 -0.81 119.26 123.22 2tct h ALA 173 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2tct h ALA 173 Cb 0.80 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2tct h ALA 173 CO 0.07 0.12 -0.01 -0.07 0.00 0.00 0.00 179.25 179.36 2tct h LEU 174 N 0.77 0.19 -0.98 0.00 4.07 -0.41 0.20 115.31 119.15 2tct h LEU 174 Ca 0.32 -0.33 0.10 0.00 0.08 0.00 0.00 57.88 58.05 2tct h LEU 174 Cb 0.18 -0.05 -0.08 0.00 1.08 0.00 0.00 40.66 41.79 2tct h LEU 174 CO -0.18 0.47 0.62 1.56 -1.08 0.00 0.00 178.44 179.83 2tct h GLN 175 N -0.09 1.00 0.07 1.13 4.20 -0.78 -2.53 115.11 118.11 2tct h GLN 175 Ca 0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2tct h GLN 175 Cb 0.38 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2tct h GLN 175 CO 0.01 0.66 -0.04 0.82 -0.67 0.00 0.00 178.83 179.61 2tct h ILE 176 N 1.03 1.17 -0.65 2.54 2.04 -0.21 -2.59 117.51 120.84 2tct h ILE 176 Ca 0.46 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2tct h ILE 176 Cb 0.36 1.77 -0.11 0.00 -0.74 0.00 0.00 36.82 38.11 2tct h ILE 176 CO -0.23 0.23 -0.47 0.24 0.00 0.00 0.00 178.15 177.92 2tct h MET 177 N -0.53 -0.19 0.00 2.37 2.86 -0.56 -0.69 114.93 118.19 2tct h MET 177 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2tct h MET 177 Cb 0.45 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2tct h MET 177 CO 0.02 -0.13 0.00 -0.25 1.06 0.00 0.00 176.91 177.61 2tct n ASP 178 N -5.39 0.00 0.07 1.22 8.00 -0.96 -3.78 116.55 115.70 2tct n ASP 178 Ca 0.02 -0.30 0.11 0.00 0.71 0.00 0.00 54.79 55.33 2tct n ASP 178 Cb 0.34 -0.16 0.44 0.00 -0.02 0.00 0.00 41.12 41.73 2tct n ASP 178 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2tct n SER 179 N -1.16 0.39 -0.71 -2.24 7.64 -0.27 -4.88 113.62 112.40 2tct n SER 179 Ca 0.13 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2tct n SER 179 Cb 0.12 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2tct n SER 179 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2tct n ASP 180 N -1.91 0.00 0.00 6.43 5.75 -1.25 -5.00 116.55 120.58 2tct n ASP 180 Ca 0.04 -0.71 0.08 0.00 -0.01 0.00 0.00 54.79 54.19 2tct n ASP 180 Cb 0.27 0.00 0.47 0.00 -1.03 0.00 0.00 41.12 40.83 2tct n ASP 180 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2tct n ASP 181 N -1.30 0.00 0.00 -1.12 5.75 -1.26 -4.76 116.55 113.86 2tct n ASP 181 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 2tct n ASP 181 Cb 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 2tct n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2tct n GLY 182 N 0.02 0.66 0.29 6.12 0.00 -1.26 -4.94 105.19 106.09 2tct n GLY 182 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2tct n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2tct h GLU 183 N 4.46 0.98 -0.25 1.61 4.81 -1.95 -1.41 114.58 122.84 2tct h GLU 183 Ca 0.00 -0.36 -0.15 0.00 -0.13 0.00 0.00 59.36 58.72 2tct h GLU 183 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2tct h GLU 183 CO 0.00 1.03 -0.45 0.37 -0.73 0.00 0.00 179.01 179.23 2tct h GLN 184 N 0.87 0.74 -0.52 1.92 4.15 -1.96 -0.21 115.11 120.10 2tct h GLN 184 Ca 0.14 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2tct h GLN 184 Cb 0.66 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 2tct h GLN 184 CO 0.05 1.09 0.33 0.00 -1.93 0.00 0.00 178.83 178.36 2tct h ALA 185 N 0.64 0.66 0.29 3.38 0.00 -1.97 -0.53 119.26 121.73 2tct h ALA 185 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2tct h ALA 185 Cb 1.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2tct h ALA 185 CO 0.10 0.12 -0.22 0.35 0.00 0.00 0.00 179.25 179.60 2tct h PHE 186 N 0.70 -0.58 -0.63 0.00 3.57 -1.11 -1.50 116.94 117.38 2tct h PHE 186 Ca 0.19 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2tct h PHE 186 Cb -0.04 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2tct h PHE 186 CO -0.03 -0.34 0.28 -0.07 -2.23 0.00 0.00 178.31 175.92 2tct h LEU 187 N -0.52 0.82 -0.19 0.59 3.38 -0.81 0.06 115.31 118.65 2tct h LEU 187 Ca -0.02 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2tct h LEU 187 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2tct h LEU 187 CO -0.00 0.72 -0.37 -0.74 0.09 0.00 0.00 178.44 178.13 2tct h HIS 188 N 0.90 0.74 -0.37 1.13 2.76 -1.03 -2.57 115.15 116.72 2tct h HIS 188 Ca 0.22 -0.27 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 2tct h HIS 188 Cb 0.13 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 2tct h HIS 188 CO 0.01 1.01 0.02 0.78 -1.30 0.00 0.00 177.93 178.45 2tct h GLY 189 N 0.25 0.61 1.17 5.26 0.00 -1.10 -2.39 103.07 106.86 2tct h GLY 189 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2tct h GLY 189 CO 0.08 0.33 0.34 -2.00 0.00 0.00 0.00 176.54 175.30 2tct h LEU 190 N 0.54 0.98 -0.36 3.11 5.85 -0.83 -1.44 115.31 123.15 2tct h LEU 190 Ca 0.12 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 2tct h LEU 190 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2tct h LEU 190 CO 0.01 0.84 -0.35 -0.33 -0.34 0.00 0.00 178.44 178.26 2tct h GLU 191 N 1.06 0.88 -0.31 1.25 4.39 -1.08 -1.42 114.58 119.36 2tct h GLU 191 Ca 0.26 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.50 2tct h GLU 191 Cb 0.13 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2tct h GLU 191 CO -0.03 1.11 0.18 0.77 -1.16 0.00 0.00 179.01 179.88 2tct h SER 192 N 0.69 0.30 0.00 1.42 0.02 -1.15 -0.76 113.55 114.06 2tct h SER 192 Ca 0.06 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2tct h SER 192 Cb 0.94 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 2tct h SER 192 CO 0.09 0.22 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.65 2tct h LEU 193 N 0.37 -0.81 -0.68 5.07 3.38 -1.08 -0.52 115.31 121.06 2tct h LEU 193 Ca 0.12 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2tct h LEU 193 Cb -0.00 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2tct h LEU 193 CO -0.06 -0.34 0.42 0.40 0.09 0.00 0.00 178.44 178.96 2tct h ILE 194 N -0.42 1.19 -0.74 1.22 2.04 -1.11 -1.83 117.51 117.86 2tct h ILE 194 Ca 0.06 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2tct h ILE 194 Cb 0.50 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2tct h ILE 194 CO -0.23 0.19 0.38 -0.09 0.00 0.00 0.00 178.15 178.40 2tct h ARG 195 N 0.92 1.05 -0.75 2.37 9.65 -0.89 -1.71 114.38 125.01 2tct h ARG 195 Ca 0.24 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2tct h ARG 195 Cb -0.06 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.29 2tct h ARG 195 CO -0.05 0.80 0.40 0.78 2.80 0.00 0.00 179.97 184.70 2tct h GLY 196 N 1.03 1.13 1.51 2.80 0.00 -0.72 -1.37 103.07 107.44 2tct h GLY 196 Ca 0.26 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 2tct h GLY 196 CO -0.04 0.49 -0.35 0.74 0.00 0.00 0.00 176.54 177.39 2tct h PHE 197 N 1.06 0.64 -0.23 5.60 0.04 -0.97 -2.45 116.94 120.62 2tct h PHE 197 Ca 0.27 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 2tct h PHE 197 Cb 0.05 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2tct h PHE 197 CO 0.01 0.83 0.02 1.49 -0.60 0.00 0.00 178.31 180.06 2tct h GLU 198 N 0.46 0.40 -0.50 1.51 4.81 -0.55 0.11 114.58 120.82 2tct h GLU 198 Ca 0.05 -0.12 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2tct h GLU 198 Cb 0.83 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.08 2tct h GLU 198 CO 0.07 0.56 -0.01 0.28 -0.73 0.00 0.00 179.01 179.18 2tct h VAL 199 N 0.19 0.60 -0.74 0.32 2.07 -1.24 -0.61 116.25 116.85 2tct h VAL 199 Ca 0.07 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2tct h VAL 199 Cb 0.37 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2tct h VAL 199 CO 0.01 0.02 0.23 -0.61 0.02 0.00 0.00 177.57 177.24 2tct h GLN 200 N 0.11 1.15 0.03 1.57 5.75 -1.29 -1.53 115.11 120.90 2tct h GLN 200 Ca 0.25 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2tct h GLN 200 Cb 0.38 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2tct h GLN 200 CO -0.42 0.97 -0.02 1.25 -2.65 0.00 0.00 178.83 177.97 2tct h LEU 201 N 1.10 -0.04 -1.03 -2.39 6.46 0.63 -3.14 115.31 116.91 2tct h LEU 201 Ca 0.24 -0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 2tct h LEU 201 Cb 0.30 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2tct h LEU 201 CO -0.01 0.16 -0.38 0.71 -0.62 0.00 0.00 178.44 178.29 2tct h THR 202 N -0.23 0.97 0.00 1.05 1.35 -1.17 -2.78 112.91 112.11 2tct h THR 202 Ca -0.00 -1.49 -0.02 0.00 -0.55 0.00 0.00 66.41 64.35 2tct h THR 202 Cb 0.21 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2tct h THR 202 CO 0.01 0.38 -0.10 0.00 -0.25 0.00 0.00 175.52 175.55 2tct h ALA 203 N 1.62 1.59 -0.69 6.62 0.00 -1.22 -3.47 119.26 123.72 2tct h ALA 203 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2tct h ALA 203 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2tct h ALA 203 CO 0.05 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.70 2tct n LEU 204 N -4.07 0.00 -0.87 0.00 4.77 -1.05 -1.48 117.00 114.31 2tct n LEU 204 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2tct n LEU 204 Cb 0.18 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2tct n LEU 204 CO 0.32 0.00 0.60 0.18 -1.33 0.00 0.00 177.39 177.16 2tct n LEU 205 N 0.00 2.85 -4.81 2.23 7.99 -1.26 -4.97 117.00 119.04 2tct n LEU 205 Ca 0.00 -1.18 -0.31 0.00 -0.01 0.00 0.00 56.01 54.51 2tct n LEU 205 Cb 0.00 -0.07 0.06 0.00 -0.11 0.00 0.00 43.42 43.30 2tct n LEU 205 CO 0.00 0.54 0.71 -1.10 -1.51 0.00 0.00 177.39 176.03 2tct s GLN 206 N -1.56 2.67 -0.24 3.23 -1.52 -0.55 -4.99 119.66 116.72 2tct s GLN 206 Ca 0.27 0.97 -0.27 0.00 -1.95 0.00 0.00 55.36 54.38 2tct s GLN 206 Cb 0.18 -1.96 0.00 0.00 -0.22 0.00 0.00 33.01 31.01 2tct s GLN 206 CO 0.26 -1.29 0.93 0.42 -0.25 0.00 0.00 175.29 175.35 2tct s ILE 207 N -3.02 4.76 -0.02 1.08 1.01 -1.26 -4.97 121.20 118.77 2tct s ILE 207 Ca 0.59 1.78 0.00 0.00 0.00 0.00 0.00 60.65 63.02 2tct s ILE 207 Cb -0.15 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2tct s ILE 207 CO 0.55 -0.13 0.51 0.55 0.00 0.00 0.00 174.94 176.42