#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duh s ARG 1 N 0.00 0.85 -0.10 3.23 1.70 -1.26 -5.14 118.95 118.22 3duh s ARG 1 Ca 0.00 -1.00 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 3duh s ARG 1 Cb 0.00 -0.82 -0.02 0.00 -0.57 0.00 0.00 34.95 33.54 3duh s ARG 1 CO 0.00 0.18 -0.14 0.00 -1.08 0.00 0.00 175.30 174.25 3duh s ALA 2 N -1.45 2.60 -0.05 7.88 0.00 -1.26 -5.12 121.76 124.36 3duh s ALA 2 Ca -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 3duh s ALA 2 Cb -0.09 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 21.95 3duh s ALA 2 CO 0.02 0.35 0.13 0.08 0.00 0.00 0.00 175.76 176.34 3duh s VAL 3 N -0.00 -0.03 0.25 0.00 1.01 -1.26 -5.14 120.40 115.22 3duh s VAL 3 Ca -0.04 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 3duh s VAL 3 Cb -0.14 -0.20 -0.15 0.00 0.00 0.00 0.00 36.38 35.89 3duh s VAL 3 CO 0.04 0.04 0.99 -2.65 0.00 0.00 0.00 175.10 173.52 3duh n PRO 4 N 3.63 1.12 0.00 2.72 -0.02 -1.26 -5.01 135.00 136.18 3duh n PRO 4 Ca -0.20 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3duh n PRO 4 Cb 0.55 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3duh n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3duh n GLY 5 N 1.53 5.08 3.05 -1.23 0.00 -1.26 -5.16 105.19 107.21 3duh n GLY 5 Ca 0.12 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 3duh n GLY 5 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3duh s GLY 6 N 0.00 1.03 0.18 -0.02 0.00 -1.26 -5.10 107.32 102.15 3duh s GLY 6 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 44.72 43.67 3duh s GLY 6 CO 0.00 0.27 1.78 -1.26 0.00 0.00 0.00 173.10 173.88 3duh n SER 7 N 4.26 4.05 -2.61 1.64 2.88 -1.26 -4.98 113.62 117.60 3duh n SER 7 Ca -0.19 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.36 3duh n SER 7 Cb 0.51 -1.57 0.02 0.00 -0.75 0.00 0.00 64.21 62.42 3duh n SER 7 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3duh n SER 8 N 4.65 -1.16 0.00 -3.46 3.41 -1.26 -4.90 113.62 110.89 3duh n SER 8 Ca 0.17 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 3duh n SER 8 Cb 0.36 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3duh n SER 8 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3duh n PRO 9 N -1.79 0.00 -3.19 4.33 -0.02 -1.26 -4.90 135.00 128.17 3duh n PRO 9 Ca 0.01 0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 3duh n PRO 9 Cb 0.04 -1.72 0.07 0.00 -0.02 0.00 0.00 33.50 31.88 3duh n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3duh n ALA 10 N -1.25 -1.59 0.09 3.55 0.00 -1.26 -4.80 120.51 115.24 3duh n ALA 10 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 3duh n ALA 10 Cb 0.22 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 3duh n ALA 10 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3duh h TRP 11 N -1.62 -0.12 -0.57 0.00 4.06 -1.93 -2.43 115.95 113.34 3duh h TRP 11 Ca -0.48 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.49 3duh h TRP 11 Cb 1.28 0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 29.44 3duh h TRP 11 CO 0.36 -0.07 0.35 1.15 -3.56 0.00 0.00 178.44 176.67 3duh h THR 12 N -0.12 1.08 -0.38 1.49 2.02 -1.91 0.22 112.91 115.30 3duh h THR 12 Ca -0.01 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3duh h THR 12 Cb 0.10 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3duh h THR 12 CO 0.02 0.13 0.17 1.56 0.37 0.00 0.00 175.52 177.76 3duh h GLN 13 N 0.70 0.57 -0.94 6.66 4.20 -1.94 -1.74 115.11 122.61 3duh h GLN 13 Ca 0.22 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.85 3duh h GLN 13 Cb -0.00 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 3duh h GLN 13 CO -0.09 0.53 0.61 0.00 -0.67 0.00 0.00 178.83 179.21 3duh h GLN 15 N 1.28 0.64 -0.64 0.00 -0.00 -0.79 0.33 115.11 115.92 3duh h GLN 15 Ca 0.34 -0.31 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 3duh h GLN 15 Cb -0.13 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.32 3duh h GLN 15 CO -0.07 0.91 0.32 1.96 -0.00 0.00 0.00 178.83 181.94 3duh h GLN 16 N 0.37 0.91 -0.19 0.06 4.20 -1.22 0.42 115.11 119.67 3duh h GLN 16 Ca 0.05 -0.13 -0.19 0.00 0.06 0.00 0.00 58.65 58.44 3duh h GLN 16 Cb 0.76 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.38 3duh h GLN 16 CO 0.06 0.72 -0.64 1.25 -0.67 0.00 0.00 178.83 179.55 3duh h LEU 17 N 0.88 0.90 -0.64 1.46 5.85 -0.93 -1.58 115.31 121.25 3duh h LEU 17 Ca 0.22 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3duh h LEU 17 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3duh h LEU 17 CO -0.03 1.34 0.26 0.77 -0.34 0.00 0.00 178.44 180.43 3duh h SER 18 N 0.51 0.88 -0.61 1.25 4.64 -0.28 -2.12 113.55 117.81 3duh h SER 18 Ca -0.03 -0.17 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3duh h SER 18 Cb 1.26 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 3duh h SER 18 CO 0.14 0.81 0.27 -0.61 -0.87 0.00 0.00 176.83 176.57 3duh h GLN 19 N 0.89 0.48 -0.85 4.77 5.75 -0.84 -2.23 115.11 123.09 3duh h GLN 19 Ca 0.21 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 3duh h GLN 19 Cb 0.20 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 3duh h GLN 19 CO -0.02 0.32 0.45 0.87 -2.65 0.00 0.00 178.83 177.80 3duh h LYS 20 N 0.49 1.19 -0.13 1.69 1.57 -0.96 -2.27 116.57 118.15 3duh h LYS 20 Ca 0.30 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3duh h LYS 20 Cb 0.31 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3duh h LYS 20 CO -0.26 0.88 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.31 3duh h LEU 21 N 1.19 0.18 0.22 2.94 3.38 -1.00 0.14 115.31 122.37 3duh h LEU 21 Ca 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3duh h LEU 21 Cb 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3duh h LEU 21 CO -0.05 0.34 -0.11 0.00 0.09 0.00 0.00 178.44 178.71 3duh h THR 23 N -0.44 0.99 -0.54 0.00 2.02 -1.09 -2.66 112.91 111.20 3duh h THR 23 Ca -0.03 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 3duh h THR 23 Cb 0.34 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3duh h THR 23 CO 0.05 0.09 0.17 -0.07 0.37 0.00 0.00 175.52 176.13 3duh h LEU 24 N 0.50 0.79 -1.26 2.58 3.38 -0.98 -2.51 115.31 117.81 3duh h LEU 24 Ca 0.20 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3duh h LEU 24 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3duh h LEU 24 CO -0.12 0.79 -0.21 0.00 0.09 0.00 0.00 178.44 178.99 3duh h ALA 25 N 1.03 1.39 0.00 1.53 0.00 -1.09 -2.39 119.26 119.73 3duh h ALA 25 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3duh h ALA 25 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3duh h ALA 25 CO -0.00 0.42 -0.12 -1.49 0.00 0.00 0.00 179.25 178.06 3duh h TRP 26 N 0.22 0.00 -0.09 0.00 4.06 -1.42 -3.30 115.95 115.42 3duh h TRP 26 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3duh h TRP 26 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 3duh h TRP 26 CO 0.01 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.76 3duh n SER 27 N -3.04 0.77 0.00 -3.49 3.41 -0.90 -5.12 113.62 105.26 3duh n SER 27 Ca 0.04 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 3duh n SER 27 Cb 0.53 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3duh n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3duh n ALA 28 N -0.23 0.00 -2.53 7.33 0.00 -1.23 -4.69 120.51 119.16 3duh n ALA 28 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.31 3duh n ALA 28 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 3duh n ALA 28 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3duh s ASN 47 N -1.29 4.00 0.00 0.00 0.01 -1.26 -5.09 114.94 111.31 3duh s ASN 47 Ca 0.00 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.41 3duh s ASN 47 Cb 0.00 -0.56 0.00 0.00 0.41 0.00 0.00 41.25 41.10 3duh s ASN 47 CO 0.00 0.08 0.00 0.47 -1.51 0.00 0.00 177.10 176.14 3duh n ASP 48 N -0.21 0.00 -4.83 -1.22 8.00 -1.26 -5.03 116.55 112.00 3duh n ASP 48 Ca -0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 3duh n ASP 48 Cb 0.57 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.74 3duh n ASP 48 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3duh s VAL 49 N -3.64 3.48 0.20 2.53 -7.23 -1.26 -5.04 120.40 109.45 3duh s VAL 49 Ca 0.00 0.48 -0.28 0.00 -1.81 0.00 0.00 61.98 60.37 3duh s VAL 49 Cb 0.00 -3.31 -0.08 0.00 0.56 0.00 0.00 36.38 33.54 3duh s VAL 49 CO 0.00 -0.63 0.89 -2.16 -0.31 0.00 0.00 175.10 172.89 3duh s PRO 50 N -5.20 4.75 0.06 4.82 0.04 -1.26 -5.06 135.00 133.15 3duh s PRO 50 Ca 0.59 1.37 0.07 0.00 0.04 0.00 0.00 61.00 63.08 3duh s PRO 50 Cb -0.13 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3duh s PRO 50 CO 0.54 0.51 -0.20 -1.01 0.04 0.00 0.00 177.00 176.88 3duh s HIS 51 N -1.08 1.76 -0.57 0.56 3.76 -1.26 -5.02 115.29 113.44 3duh s HIS 51 Ca 0.40 -0.38 -0.27 0.00 -0.15 0.00 0.00 55.06 54.65 3duh s HIS 51 Cb -0.25 -1.03 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 3duh s HIS 51 CO 0.30 0.11 1.70 0.42 -0.85 0.00 0.00 174.74 176.42 3duh s ILE 52 N -0.89 3.50 0.77 0.60 1.01 -1.26 -4.95 121.20 119.99 3duh s ILE 52 Ca 0.07 0.37 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 3duh s ILE 52 Cb -0.09 -4.08 0.13 0.00 0.01 0.00 0.00 42.46 38.43 3duh s ILE 52 CO 0.02 -0.96 1.07 -1.10 0.00 0.00 0.00 174.94 173.97 3duh s GLN 53 N 6.38 1.52 0.40 2.79 -0.21 -1.26 -4.98 119.66 124.30 3duh s GLN 53 Ca 0.63 -0.81 0.22 0.00 0.02 0.00 0.00 55.36 55.42 3duh s GLN 53 Cb -0.13 -2.19 0.69 0.00 1.00 0.00 0.00 33.01 32.37 3duh s GLN 53 CO 0.23 -1.63 1.73 0.00 -2.12 0.00 0.00 175.29 173.50 3duh h GLY 55 N 2.48 0.00 1.24 0.00 0.00 -1.99 -3.34 103.07 101.46 3duh h GLY 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3duh h GLY 55 CO 0.04 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.80 3duh n ASP 56 N -2.89 0.00 -2.60 0.19 8.00 -1.03 -4.91 116.55 113.30 3duh n ASP 56 Ca 0.02 -0.47 -0.21 0.00 0.71 0.00 0.00 54.79 54.83 3duh n ASP 56 Cb 0.33 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3duh n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3duh n GLY 57 N 0.64 -0.51 0.98 0.44 0.00 -1.26 -3.37 105.19 102.12 3duh n GLY 57 Ca 0.16 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3duh n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3duh s ASP 59 N -1.06 6.37 0.29 0.00 1.47 -1.26 -4.80 116.67 117.67 3duh s ASP 59 Ca 0.36 1.55 0.03 0.00 1.18 0.00 0.00 52.55 55.68 3duh s ASP 59 Cb 0.19 -2.50 0.69 0.00 -0.34 0.00 0.00 42.92 40.97 3duh s ASP 59 CO 0.25 -0.77 1.73 -0.65 0.68 0.00 0.00 175.17 176.41 3duh h PRO 60 N 0.42 0.51 0.43 2.11 0.11 -1.98 -1.32 132.00 132.28 3duh h PRO 60 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3duh h PRO 60 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3duh h PRO 60 CO 0.61 0.34 -0.21 0.37 -0.21 0.00 0.00 178.00 178.90 3duh h GLN 61 N 0.53 -0.56 -0.52 1.05 5.75 -1.94 -2.90 115.11 116.51 3duh h GLN 61 Ca 0.55 0.04 0.15 0.00 -0.15 0.00 0.00 58.65 59.23 3duh h GLN 61 Cb 0.95 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 3duh h GLN 61 CO -0.46 -0.28 0.43 0.78 -2.65 0.00 0.00 178.83 176.65 3duh h GLY 62 N -0.78 0.00 0.64 2.39 0.00 -1.64 -3.07 103.07 100.61 3duh h GLY 62 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3duh h GLY 62 CO 0.10 0.00 -0.13 1.41 0.00 0.00 0.00 176.54 177.92 3duh h LEU 63 N 0.00 0.26 0.10 3.11 3.38 -1.05 -0.76 115.31 120.34 3duh h LEU 63 Ca 0.25 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3duh h LEU 63 Cb 1.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3duh h LEU 63 CO -0.00 0.74 -0.35 -0.09 0.09 0.00 0.00 178.44 178.83 3duh h ARG 64 N -0.22 -0.54 -0.37 1.13 1.12 -1.51 -1.74 114.38 112.24 3duh h ARG 64 Ca 0.01 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 3duh h ARG 64 Cb 0.69 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.76 3duh h ARG 64 CO 0.03 -0.36 0.24 -0.44 -3.11 0.00 0.00 179.97 176.33 3duh h ASP 65 N -0.56 0.42 -0.90 -3.80 3.32 -1.56 -3.41 116.42 109.94 3duh h ASP 65 Ca 0.03 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3duh h ASP 65 Cb 0.60 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 39.86 3duh h ASP 65 CO -0.22 0.31 -0.40 0.21 -1.72 0.00 0.00 179.24 177.43 3duh s ASN 66 N -5.53 -1.39 0.00 6.45 2.47 -0.29 -5.00 114.94 111.64 3duh s ASN 66 Ca -0.13 -0.59 0.13 0.00 0.42 0.00 0.00 52.86 52.69 3duh s ASN 66 Cb 0.10 1.79 0.57 0.00 -1.45 0.00 0.00 41.25 42.27 3duh s ASN 66 CO 0.72 -0.17 1.43 -1.54 -3.72 0.00 0.00 177.10 173.82 3duh n SER 67 N 4.46 0.01 -0.07 -4.21 3.41 -0.66 -3.56 113.62 113.00 3duh n SER 67 Ca 0.10 0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 59.10 3duh n SER 67 Cb 0.57 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 3duh n SER 67 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3duh h GLN 68 N 0.00 0.35 -0.48 4.33 4.15 -1.92 -1.03 115.11 120.51 3duh h GLN 68 Ca 0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 3duh h GLN 68 Cb 0.23 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3duh h GLN 68 CO 0.00 0.53 0.10 0.35 -1.93 0.00 0.00 178.83 177.88 3duh h PHE 69 N 0.13 0.83 0.58 3.99 3.04 -1.90 -1.52 116.94 122.09 3duh h PHE 69 Ca 0.06 -0.11 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 3duh h PHE 69 Cb 0.36 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 3duh h PHE 69 CO 0.03 0.76 -0.33 0.00 -2.02 0.00 0.00 178.31 176.74 3duh h LEU 71 N -0.85 0.46 -0.95 0.00 3.38 -1.11 0.11 115.31 116.34 3duh h LEU 71 Ca -0.07 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3duh h LEU 71 Cb 0.68 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3duh h LEU 71 CO 0.09 0.26 0.22 -0.61 0.09 0.00 0.00 178.44 178.49 3duh h GLN 72 N 0.50 0.98 -0.02 1.13 4.15 -1.16 -0.74 115.11 119.96 3duh h GLN 72 Ca 0.33 -0.19 -0.25 0.00 0.77 0.00 0.00 58.65 59.32 3duh h GLN 72 Cb 0.62 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.16 3duh h GLN 72 CO -0.11 0.83 -0.97 -0.09 -1.93 0.00 0.00 178.83 176.56 3duh h ARG 73 N 0.95 0.61 -0.46 1.69 1.12 -0.43 -1.61 114.38 116.25 3duh h ARG 73 Ca 0.21 -0.63 0.04 0.00 -1.11 0.00 0.00 59.98 58.50 3duh h ARG 73 Cb 0.25 0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.34 3duh h ARG 73 CO -0.01 1.24 0.22 0.82 -3.11 0.00 0.00 179.97 179.12 3duh h ILE 74 N 0.35 0.95 0.46 1.20 2.04 -1.08 -0.77 117.51 120.66 3duh h ILE 74 Ca -0.10 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3duh h ILE 74 Cb 1.62 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3duh h ILE 74 CO 0.18 0.08 -0.47 -0.74 0.00 0.00 0.00 178.15 177.20 3duh h HIS 75 N 0.44 -1.31 -0.87 1.37 2.76 -1.02 0.18 115.15 116.69 3duh h HIS 75 Ca 0.20 0.01 0.22 0.00 -2.20 0.00 0.00 60.37 58.60 3duh h HIS 75 Cb 0.12 0.51 -0.13 0.00 1.55 0.00 0.00 27.41 29.46 3duh h HIS 75 CO -0.11 -0.64 0.32 0.37 -1.30 0.00 0.00 177.93 176.58 3duh h GLN 76 N -0.94 0.32 -0.16 5.26 4.15 -1.21 -1.08 115.11 121.43 3duh h GLN 76 Ca -0.05 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.20 3duh h GLN 76 Cb 0.83 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 3duh h GLN 76 CO -0.07 0.21 -0.52 0.78 -1.93 0.00 0.00 178.83 177.29 3duh h GLY 77 N 0.33 0.49 0.81 2.39 0.00 -0.59 -2.51 103.07 103.99 3duh h GLY 77 Ca 0.54 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3duh h GLY 77 CO -0.56 0.50 0.01 1.41 0.00 0.00 0.00 176.54 177.90 3duh h LEU 78 N 0.35 0.28 -0.55 3.11 3.38 0.37 -2.86 115.31 119.39 3duh h LEU 78 Ca 0.01 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 57.80 3duh h LEU 78 Cb 1.04 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 3duh h LEU 78 CO 0.09 0.50 0.04 0.40 0.09 0.00 0.00 178.44 179.57 3duh h ILE 79 N 0.05 0.61 -0.58 1.22 1.08 -1.23 -0.66 117.51 117.99 3duh h ILE 79 Ca 0.05 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 3duh h ILE 79 Cb 0.35 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 3duh h ILE 79 CO 0.01 0.03 0.24 0.15 -0.69 0.00 0.00 178.15 177.88 3duh h PHE 80 N 0.16 0.42 -0.05 1.37 3.57 -1.40 -2.69 116.94 118.33 3duh h PHE 80 Ca 0.28 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.59 3duh h PHE 80 Cb 0.43 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3duh h PHE 80 CO -0.30 0.14 -0.87 1.88 -2.23 0.00 0.00 178.31 176.94 3duh h TYR 81 N 0.44 0.74 0.00 0.41 0.05 -1.18 -2.23 116.97 115.20 3duh h TYR 81 Ca 0.28 -0.37 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3duh h TYR 81 Cb 0.30 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 3duh h TYR 81 CO -0.15 1.17 -0.10 1.05 -1.05 0.00 0.00 178.16 179.09 3duh h GLU 82 N 0.32 0.00 0.11 4.88 -0.00 -1.04 0.73 114.58 119.58 3duh h GLU 82 Ca -0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.13 3duh h GLU 82 Cb 1.49 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 30.26 3duh h GLU 82 CO 0.16 0.10 -0.70 -0.22 -0.00 0.00 0.00 179.01 178.35 3duh h LYS 83 N 0.00 0.28 -0.34 1.06 3.64 -1.40 -2.66 116.57 117.15 3duh h LYS 83 Ca -0.00 -0.45 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3duh h LYS 83 Cb 0.27 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3duh h LYS 83 CO 0.01 1.20 0.16 -0.07 -2.27 0.00 0.00 179.45 178.48 3duh h LEU 84 N -0.40 0.22 -1.35 5.20 4.07 -0.92 -1.18 115.31 120.95 3duh h LEU 84 Ca -0.12 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 3duh h LEU 84 Cb 1.53 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.25 3duh h LEU 84 CO 0.13 0.17 -0.18 -0.07 -1.08 0.00 0.00 178.44 177.41 3duh h LEU 85 N 0.33 0.00 -0.68 1.67 4.07 -0.93 -1.78 115.31 117.99 3duh h LEU 85 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3duh h LEU 85 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3duh h LEU 85 CO -0.11 0.18 -0.36 0.61 -1.08 0.00 0.00 178.44 177.68 3duh n GLY 86 N -0.07 -0.37 0.70 0.83 0.00 -1.00 -4.63 105.19 100.65 3duh n GLY 86 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 3duh n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3duh n SER 87 N -0.43 0.11 -0.34 1.61 3.41 -0.46 -4.81 113.62 112.71 3duh n SER 87 Ca 0.11 -1.14 0.11 0.00 -0.26 0.00 0.00 58.87 57.70 3duh n SER 87 Cb 0.39 -0.16 0.29 0.00 -0.26 0.00 0.00 64.21 64.48 3duh n SER 87 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3duh h ASP 88 N -0.23 0.73 -0.41 4.04 3.58 -1.88 -2.64 116.42 119.62 3duh h ASP 88 Ca -0.07 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.51 3duh h ASP 88 Cb 0.22 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 3duh h ASP 88 CO 0.06 0.28 0.27 0.40 -2.88 0.00 0.00 179.24 177.37 3duh h ILE 89 N 0.75 1.01 0.00 2.25 2.04 -1.94 -3.04 117.51 118.57 3duh h ILE 89 Ca 0.55 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.27 3duh h ILE 89 Cb 0.82 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3duh h ILE 89 CO -0.37 0.07 -0.56 0.49 0.00 0.00 0.00 178.15 177.78 3duh n PHE 90 N -4.48 0.00 -3.40 1.37 3.72 -1.02 -4.90 117.46 108.75 3duh n PHE 90 Ca 0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.04 3duh n PHE 90 Cb 0.19 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 3duh n PHE 90 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3duh n THR 91 N -1.28 4.06 0.00 4.37 -2.24 -1.04 -5.03 114.28 113.12 3duh n THR 91 Ca 0.02 -5.37 0.00 0.00 -2.27 0.00 0.00 64.05 56.43 3duh n THR 91 Cb 0.18 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 65.98 3duh n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3duh n LEU 97 N 2.28 0.00 0.13 3.22 -0.00 -1.26 -4.82 117.00 116.55 3duh n LEU 97 Ca 0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.19 3duh n LEU 97 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.77 3duh n LEU 97 CO 0.47 0.00 0.27 1.55 -0.00 0.00 0.00 177.39 179.67 3duh h PRO 98 N 0.00 -0.35 -1.65 1.47 0.13 -2.07 -3.41 132.00 126.13 3duh h PRO 98 Ca 0.00 0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.72 3duh h PRO 98 Cb 0.00 0.08 -0.39 0.00 0.13 0.00 0.00 31.00 30.82 3duh h PRO 98 CO 0.00 -0.23 -1.18 -0.40 -0.23 0.00 0.00 178.00 175.96 3duh n ASP 99 N -3.67 0.94 -4.77 1.44 5.75 -1.26 -5.11 116.55 109.86 3duh n ASP 99 Ca -0.04 -2.93 -0.36 0.00 -0.01 0.00 0.00 54.79 51.45 3duh n ASP 99 Cb 0.14 -0.53 -0.00 0.00 -1.03 0.00 0.00 41.12 39.70 3duh n ASP 99 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3duh s SER 100 N -2.61 5.90 0.00 -1.12 1.04 -1.26 -4.92 113.70 110.74 3duh s SER 100 Ca 0.36 2.26 0.22 0.00 0.48 0.00 0.00 55.95 59.26 3duh s SER 100 Cb 0.38 -2.59 1.27 0.00 0.10 0.00 0.00 66.02 65.18 3duh s SER 100 CO -0.04 -1.10 1.69 -0.81 0.98 0.00 0.00 173.24 173.96 3duh n PRO 101 N -0.92 0.62 0.30 4.02 -0.04 -1.26 -4.16 135.00 133.56 3duh n PRO 101 Ca 0.10 0.02 0.16 0.00 -0.04 0.00 0.00 63.50 63.73 3duh n PRO 101 Cb 0.49 -1.50 0.95 0.00 -0.04 0.00 0.00 33.50 33.40 3duh n PRO 101 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3duh h VAL 102 N 0.00 0.44 -0.04 0.52 -1.51 -1.91 0.16 116.25 113.90 3duh h VAL 102 Ca 0.00 -0.06 -0.11 0.00 -1.23 0.00 0.00 66.70 65.30 3duh h VAL 102 Cb 0.04 1.04 0.01 0.00 -2.13 0.00 0.00 31.29 30.24 3duh h VAL 102 CO 0.00 0.01 -0.42 1.23 -1.23 0.00 0.00 177.57 177.16 3duh h GLY 103 N 0.10 0.40 1.83 5.19 0.00 -1.96 -0.87 103.07 107.76 3duh h GLY 103 Ca -0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 3duh h GLY 103 CO 0.00 0.55 -0.43 -1.61 0.00 0.00 0.00 176.54 175.05 3duh h GLN 104 N -0.16 0.19 -0.25 4.80 5.75 -1.62 -2.35 115.11 121.46 3duh h GLN 104 Ca -0.04 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.30 3duh h GLN 104 Cb 1.11 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3duh h GLN 104 CO 0.09 0.59 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.68 3duh h LEU 105 N 0.16 0.53 -0.40 -2.39 3.38 -0.73 -0.10 115.31 115.76 3duh h LEU 105 Ca 0.01 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.61 3duh h LEU 105 Cb 0.82 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3duh h LEU 105 CO 0.06 0.81 0.22 -0.74 0.09 0.00 0.00 178.44 178.88 3duh h HIS 106 N 0.25 0.41 -0.47 1.13 2.76 -1.07 -0.75 115.15 117.40 3duh h HIS 106 Ca 0.06 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3duh h HIS 106 Cb 0.60 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 3duh h HIS 106 CO 0.06 0.23 0.16 0.00 -1.30 0.00 0.00 177.93 177.08 3duh h ALA 107 N 1.19 0.62 -0.27 5.26 0.00 -1.38 -2.47 119.26 122.22 3duh h ALA 107 Ca 0.16 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3duh h ALA 107 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3duh h ALA 107 CO -0.09 0.26 -0.36 0.77 0.00 0.00 0.00 179.25 179.83 3duh h SER 108 N 0.63 0.62 -0.23 0.00 0.02 -0.90 -0.27 113.55 113.41 3duh h SER 108 Ca 0.15 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3duh h SER 108 Cb 0.25 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3duh h SER 108 CO -0.01 0.92 0.10 -0.07 -1.14 0.00 0.00 176.83 176.63 3duh h LEU 109 N 0.50 0.13 -0.46 5.07 3.38 -1.04 -0.63 115.31 122.25 3duh h LEU 109 Ca 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3duh h LEU 109 Cb 0.85 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3duh h LEU 109 CO 0.07 0.11 0.28 0.25 0.09 0.00 0.00 178.44 179.24 3duh h LEU 110 N 0.22 0.56 -0.19 1.67 5.85 -1.23 -1.84 115.31 120.35 3duh h LEU 110 Ca 0.10 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3duh h LEU 110 Cb 0.05 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3duh h LEU 110 CO -0.08 0.45 -0.19 1.23 -0.34 0.00 0.00 178.44 179.51 3duh h GLY 111 N 0.62 -0.10 0.98 3.75 0.00 -0.70 -1.32 103.07 106.30 3duh h GLY 111 Ca 0.17 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 3duh h GLY 111 CO -0.03 -0.17 0.23 -2.00 0.00 0.00 0.00 176.54 174.56 3duh h LEU 112 N -0.21 0.76 -1.25 3.11 6.46 -1.02 -1.49 115.31 121.67 3duh h LEU 112 Ca 0.12 -0.17 0.10 0.00 -0.12 0.00 0.00 57.88 57.81 3duh h LEU 112 Cb 0.38 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.06 3duh h LEU 112 CO -0.31 0.72 0.56 0.77 -0.62 0.00 0.00 178.44 179.55 3duh h SER 113 N 0.75 0.75 -0.39 1.25 4.64 -1.09 -2.45 113.55 117.01 3duh h SER 113 Ca 0.18 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 3duh h SER 113 Cb 0.19 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3duh h SER 113 CO -0.02 0.44 -0.35 1.56 -0.87 0.00 0.00 176.83 177.59 3duh h GLN 114 N 0.83 0.93 -0.08 4.77 1.08 -0.59 -0.17 115.11 121.88 3duh h GLN 114 Ca 0.40 -0.48 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 3duh h GLN 114 Cb 0.42 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3duh h GLN 114 CO -0.16 1.14 -0.17 -0.07 -0.95 0.00 0.00 178.83 178.61 3duh h LEU 115 N 0.76 0.12 0.01 1.46 3.38 -1.02 -1.53 115.31 118.49 3duh h LEU 115 Ca 0.07 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3duh h LEU 115 Cb 0.95 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3duh h LEU 115 CO 0.09 0.31 -0.01 -0.07 0.09 0.00 0.00 178.44 178.86 3duh h LEU 116 N 0.12 -0.01 -6.87 1.67 3.38 -1.23 -3.42 115.31 108.94 3duh h LEU 116 Ca 0.02 -0.78 -0.61 0.00 0.09 0.00 0.00 57.88 56.61 3duh h LEU 116 Cb 0.38 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.74 3duh h LEU 116 CO 0.03 0.83 -0.76 -1.10 0.09 0.00 0.00 178.44 177.53 3duh s GLN 117 N -2.50 1.35 0.59 1.13 -0.21 -0.09 -4.97 119.66 114.96 3duh s GLN 117 Ca -0.16 -2.18 0.33 0.00 0.02 0.00 0.00 55.36 53.37 3duh s GLN 117 Cb -0.02 -2.28 1.87 0.00 1.00 0.00 0.00 33.01 33.58 3duh s GLN 117 CO 0.60 -1.22 2.24 -1.00 -2.12 0.00 0.00 175.29 173.79 3duh h PRO 118 N 6.37 0.00 -0.03 2.91 0.13 -1.50 -1.88 132.00 138.00 3duh h PRO 118 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3duh h PRO 118 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3duh h PRO 118 CO 0.49 0.03 0.00 -1.91 -0.23 0.00 0.00 178.00 176.37 3duh n GLU 119 N -3.60 2.27 -0.24 0.86 4.07 -1.26 -4.60 120.64 118.14 3duh n GLU 119 Ca -0.03 -1.85 -0.02 0.00 -0.06 0.00 0.00 57.16 55.21 3duh n GLU 119 Cb 0.12 -1.46 0.18 0.00 -0.06 0.00 0.00 31.44 30.22 3duh n GLU 119 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3duh h GLY 120 N 4.72 1.13 0.46 8.31 0.00 -1.71 -2.54 103.07 113.45 3duh h GLY 120 Ca 0.00 -0.49 0.18 0.00 0.00 0.00 0.00 47.33 47.01 3duh h GLY 120 CO 0.00 0.48 0.60 1.12 0.00 0.00 0.00 176.54 178.74 3duh h HIS 121 N 1.07 0.00 0.00 5.60 2.07 -1.81 -3.53 115.15 118.55 3duh h HIS 121 Ca 0.27 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.79 3duh h HIS 121 Cb 0.01 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.99 3duh h HIS 121 CO 0.01 0.00 0.28 0.72 -3.07 0.00 0.00 177.93 175.87 3duh n HIS 122 N -3.77 0.00 -1.58 6.12 -0.00 -0.96 -5.26 115.22 109.77 3duh n HIS 122 Ca 0.12 -0.07 0.07 0.00 -0.00 0.00 0.00 57.72 57.84 3duh n HIS 122 Cb 0.83 -0.39 0.17 0.00 -0.00 0.00 0.00 29.99 30.60 3duh n HIS 122 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 3duh n TRP 137 N 2.60 0.00 0.11 4.41 7.02 -1.26 -5.24 117.44 125.08 3duh n TRP 137 Ca 0.01 -1.26 -0.05 0.00 -1.02 0.00 0.00 57.50 55.19 3duh n TRP 137 Cb 0.04 -0.21 -0.02 0.00 -2.42 0.00 0.00 31.31 28.69 3duh n TRP 137 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 3duh h GLN 138 N 0.75 -0.29 -0.80 -0.99 3.07 -2.00 -3.36 115.11 111.48 3duh h GLN 138 Ca -0.02 0.02 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 3duh h GLN 138 Cb 1.09 0.07 -0.43 0.00 0.08 0.00 0.00 27.48 28.29 3duh h GLN 138 CO 0.01 -0.19 -0.81 -2.13 0.09 0.00 0.00 178.83 175.80 3duh n ARG 139 N -3.33 3.60 -2.09 0.06 3.00 -1.26 -4.90 116.66 111.74 3duh n ARG 139 Ca -0.04 -4.19 -0.39 0.00 -0.00 0.00 0.00 57.85 53.23 3duh n ARG 139 Cb 0.12 -2.28 0.02 0.00 0.00 0.00 0.00 32.46 30.32 3duh n ARG 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3duh n LEU 140 N -0.69 7.42 -1.16 6.15 4.77 -1.26 -4.05 117.00 128.17 3duh n LEU 140 Ca 0.44 -4.93 0.03 0.00 -0.03 0.00 0.00 56.01 51.52 3duh n LEU 140 Cb 0.95 -1.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3duh n LEU 140 CO 0.40 1.86 0.21 -0.11 -1.33 0.00 0.00 177.39 178.41 3duh n LEU 141 N -0.18 2.04 -0.62 2.23 -0.00 -1.26 -4.59 117.00 114.62 3duh n LEU 141 Ca 0.52 -3.10 0.11 0.00 -0.00 0.00 0.00 56.01 53.54 3duh n LEU 141 Cb 0.27 -0.25 0.36 0.00 -0.00 0.00 0.00 43.42 43.80 3duh n LEU 141 CO 0.50 1.04 0.77 0.00 -0.00 0.00 0.00 177.39 179.70 3duh n LEU 142 N -0.38 1.88 -0.00 -1.96 -0.00 -1.26 -3.86 117.00 111.41 3duh n LEU 142 Ca 0.14 -0.78 0.03 0.00 -0.00 0.00 0.00 56.01 55.41 3duh n LEU 142 Cb 0.91 -0.11 0.39 0.00 -0.00 0.00 0.00 43.42 44.61 3duh n LEU 142 CO -0.01 0.39 1.12 0.08 -0.00 0.00 0.00 177.39 178.96 3duh h ARG 143 N 2.52 0.55 -0.47 1.47 0.11 -1.90 0.22 114.38 116.88 3duh h ARG 143 Ca 0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 3duh h ARG 143 Cb 0.55 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 3duh h ARG 143 CO 0.00 0.41 0.24 0.35 0.10 0.00 0.00 179.97 181.07 3duh h PHE 144 N 0.55 0.66 -0.69 4.08 3.57 -1.95 -0.23 116.94 122.93 3duh h PHE 144 Ca 0.14 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3duh h PHE 144 Cb 0.02 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3duh h PHE 144 CO 0.00 0.51 0.34 0.87 -2.23 0.00 0.00 178.31 177.81 3duh h LYS 145 N 0.61 0.99 -0.41 1.11 1.57 -1.56 -1.47 116.57 117.42 3duh h LYS 145 Ca 0.16 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3duh h LYS 145 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3duh h LYS 145 CO -0.02 0.78 -0.10 0.82 -0.57 0.00 0.00 179.45 180.35 3duh h ILE 146 N 0.97 1.27 -0.07 1.86 2.04 -0.43 -2.57 117.51 120.59 3duh h ILE 146 Ca 0.24 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 3duh h ILE 146 Cb 0.10 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3duh h ILE 146 CO -0.03 0.41 -0.40 -0.07 0.00 0.00 0.00 178.15 178.05 3duh h LEU 147 N 0.62 0.15 -0.09 1.44 3.38 -0.99 -1.51 115.31 118.31 3duh h LEU 147 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3duh h LEU 147 Cb 0.63 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3duh h LEU 147 CO 0.04 0.54 0.02 -0.09 0.09 0.00 0.00 178.44 179.04 3duh h ARG 148 N 0.12 0.14 -0.00 1.13 2.43 -1.11 -1.99 114.38 115.10 3duh h ARG 148 Ca 0.01 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3duh h ARG 148 Cb 0.77 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3duh h ARG 148 CO 0.06 0.33 -0.83 0.66 -1.51 0.00 0.00 179.97 178.69 3duh h SER 149 N -0.08 0.17 -0.71 -3.80 4.64 -1.42 -3.12 113.55 109.22 3duh h SER 149 Ca 0.03 -0.13 0.11 0.00 -0.47 0.00 0.00 61.79 61.33 3duh h SER 149 Cb 0.26 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.22 3duh h SER 149 CO 0.00 0.92 0.31 0.25 -0.87 0.00 0.00 176.83 177.44 3duh h LEU 150 N 0.08 0.35 -1.41 5.97 7.12 -1.25 -0.47 115.31 125.69 3duh h LEU 150 Ca -0.03 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.17 3duh h LEU 150 Cb 1.44 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 41.55 3duh h LEU 150 CO 0.12 0.18 0.50 1.56 -0.13 0.00 0.00 178.44 180.67 3duh h GLN 151 N 0.51 0.63 0.03 1.25 4.20 -1.30 -0.27 115.11 120.17 3duh h GLN 151 Ca 0.37 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.90 3duh h GLN 151 Cb 0.47 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.12 3duh h GLN 151 CO -0.33 0.42 -0.56 0.00 -0.67 0.00 0.00 178.83 177.69 3duh h ALA 152 N 1.62 0.02 -0.22 3.87 0.00 -1.32 -2.56 119.26 120.67 3duh h ALA 152 Ca 0.36 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3duh h ALA 152 Cb 0.51 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3duh h ALA 152 CO -0.13 0.29 0.02 0.35 0.00 0.00 0.00 179.25 179.78 3duh h PHE 153 N -0.28 0.02 0.00 0.00 3.57 -0.84 -2.83 116.94 116.58 3duh h PHE 153 Ca -0.08 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.32 3duh h PHE 153 Cb 1.32 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 3duh h PHE 153 CO 0.17 -0.01 -0.53 0.28 -2.23 0.00 0.00 178.31 175.99 3duh h VAL 154 N 0.09 1.26 -0.61 1.41 2.07 -1.15 -1.58 116.25 117.75 3duh h VAL 154 Ca 0.10 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.67 3duh h VAL 154 Cb 0.12 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3duh h VAL 154 CO -0.16 0.52 0.17 0.00 0.02 0.00 0.00 177.57 178.13 3duh h ALA 155 N 1.47 0.80 -0.15 1.67 0.00 -1.26 -0.19 119.26 121.58 3duh h ALA 155 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3duh h ALA 155 Cb 1.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3duh h ALA 155 CO 0.07 0.48 -0.03 0.28 0.00 0.00 0.00 179.25 180.05 3duh h VAL 156 N 0.87 1.28 -0.55 0.00 2.07 -1.25 -2.43 116.25 116.24 3duh h VAL 156 Ca 0.19 -0.95 0.11 0.00 0.82 0.00 0.00 66.70 66.87 3duh h VAL 156 Cb 0.31 1.61 -0.10 0.00 -1.52 0.00 0.00 31.29 31.59 3duh h VAL 156 CO -0.00 0.28 -0.14 0.00 0.02 0.00 0.00 177.57 177.72 3duh h ALA 157 N 0.72 0.35 -0.83 1.67 0.00 -1.25 -1.35 119.26 118.57 3duh h ALA 157 Ca 0.04 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3duh h ALA 157 Cb 0.44 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3duh h ALA 157 CO 0.01 -0.44 0.47 0.00 0.00 0.00 0.00 179.25 179.29 3duh h ALA 158 N 1.54 1.06 -0.74 0.00 0.00 -0.88 -1.26 119.26 118.97 3duh h ALA 158 Ca 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3duh h ALA 158 Cb 0.41 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3duh h ALA 158 CO -0.57 0.56 0.45 0.00 0.00 0.00 0.00 179.25 179.69 3duh h ARG 159 N 1.15 1.00 -0.14 0.00 3.08 -1.21 -0.48 114.38 117.78 3duh h ARG 159 Ca 0.29 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3duh h ARG 159 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3duh h ARG 159 CO -0.05 0.71 0.08 0.28 -1.07 0.00 0.00 179.97 179.92 3duh h VAL 160 N 1.01 1.02 0.00 2.04 2.07 -0.48 -0.72 116.25 121.19 3duh h VAL 160 Ca 0.27 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 3duh h VAL 160 Cb -0.04 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3duh h VAL 160 CO -0.05 0.03 -0.48 -0.26 0.02 0.00 0.00 177.57 176.83 3duh h PHE 161 N 0.17 0.00 -0.16 1.57 0.04 -1.18 -0.59 116.94 116.79 3duh h PHE 161 Ca 0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3duh h PHE 161 Cb -0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3duh h PHE 161 CO -0.08 0.48 -0.07 0.00 -0.60 0.00 0.00 178.31 178.04 3duh h ALA 162 N 1.52 0.22 -0.24 2.45 0.00 -0.93 -0.59 119.26 121.70 3duh h ALA 162 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3duh h ALA 162 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3duh h ALA 162 CO 0.06 0.02 0.01 1.25 0.00 0.00 0.00 179.25 180.60 3duh h HIS 163 N 0.00 0.45 -0.38 0.00 -0.00 -1.01 -1.74 115.15 112.47 3duh h HIS 163 Ca 0.04 -0.07 0.05 0.00 -0.00 0.00 0.00 60.37 60.38 3duh h HIS 163 Cb 0.55 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 3duh h HIS 163 CO 0.06 0.57 0.11 0.78 -0.00 0.00 0.00 177.93 179.46 3duh h GLY 164 N 0.19 0.47 0.92 5.26 0.00 -1.17 -0.56 103.07 108.17 3duh h GLY 164 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3duh h GLY 164 CO 0.01 0.01 0.52 0.00 0.00 0.00 0.00 176.54 177.08 3duh h ALA 165 N 1.26 1.66 0.00 3.60 0.00 -0.90 0.14 119.26 125.01 3duh h ALA 165 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3duh h ALA 165 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3duh h ALA 165 CO -0.20 0.20 -0.79 0.00 0.00 0.00 0.00 179.25 178.47 3duh h ALA 166 N 1.58 0.56 0.00 0.00 0.00 -0.80 -3.36 119.26 117.24 3duh h ALA 166 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3duh h ALA 166 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3duh h ALA 166 CO -0.13 0.00 -0.24 0.25 0.00 0.00 0.00 179.25 179.13 3duh n THR 167 N -2.48 0.00 0.16 0.00 -2.24 -0.27 -4.87 114.28 104.59 3duh n THR 167 Ca 0.02 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.83 3duh n THR 167 Cb 0.50 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 3duh n THR 167 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3duh n LEU 168 N -0.40 1.83 -4.77 3.22 4.32 0.43 -5.03 117.00 116.60 3duh n LEU 168 Ca 0.00 -1.29 -0.38 0.00 -0.02 0.00 0.00 56.01 54.32 3duh n LEU 168 Cb 0.01 -0.04 -0.06 0.00 -1.62 0.00 0.00 43.42 41.71 3duh n LEU 168 CO 0.00 0.41 0.61 -0.55 -1.22 0.00 0.00 177.39 176.64 3duh s SER 169 N -0.67 7.46 0.08 -1.43 0.15 -0.85 -4.95 113.70 113.49 3duh s SER 169 Ca 0.09 1.83 0.18 0.00 0.70 0.00 0.00 55.95 58.75 3duh s SER 169 Cb 0.06 -2.57 0.75 0.00 -1.71 0.00 0.00 66.02 62.55 3duh s SER 169 CO 0.08 0.07 1.56 -0.81 1.20 0.00 0.00 173.24 175.34 3duh n PRO 170 N 1.09 0.06 -2.22 5.44 -0.04 -1.26 -4.80 135.00 133.28 3duh n PRO 170 Ca -0.01 0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 63.39 3duh n PRO 170 Cb 0.49 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 3duh n PRO 170 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3duh s HIS 171 N -3.10 2.65 -0.28 0.54 3.76 -1.26 -5.02 115.29 112.58 3duh s HIS 171 Ca 0.06 1.54 0.21 0.00 -0.15 0.00 0.00 55.06 56.73 3duh s HIS 171 Cb 0.10 -3.30 0.49 0.00 1.11 0.00 0.00 32.58 30.98 3duh s HIS 171 CO 0.32 -1.62 1.16 0.72 -0.85 0.00 0.00 174.74 174.46 3duh n HIS 172 N -1.38 0.71 0.00 1.40 8.25 -1.26 -5.09 115.22 117.85 3duh n HIS 172 Ca 0.12 -2.14 0.00 0.00 -0.26 0.00 0.00 57.72 55.44 3duh n HIS 172 Cb 0.51 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.66 3duh n HIS 172 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70