#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 1.44 -0.04 1.47 1.70 -1.26 -5.15 118.95 117.11 3duh s ARG 1 Ca 0.00 -1.80 -0.01 0.00 -0.47 0.00 0.00 55.73 53.45 3duh s ARG 1 Cb 0.00 -0.03 0.03 0.00 -0.57 0.00 0.00 34.95 34.38 3duh s ARG 1 CO 0.00 -0.40 0.03 0.00 -1.08 0.00 0.00 175.30 173.86 3duh s ALA 2 N -3.79 0.33 -0.02 7.88 0.00 -1.26 -5.15 121.76 119.76 3duh s ALA 2 Ca 0.37 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.49 3duh s ALA 2 Cb 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.63 3duh s ALA 2 CO 0.15 -0.37 -0.08 0.08 0.00 0.00 0.00 175.76 175.55 3duh s VAL 3 N 1.80 0.65 0.29 0.00 1.01 -1.26 -5.11 120.40 117.77 3duh s VAL 3 Ca 0.01 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3duh s VAL 3 Cb -0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 36.38 35.58 3duh s VAL 3 CO -0.03 0.20 1.55 -2.84 0.00 0.00 0.00 175.10 173.97 3duh s PRO 4 N 0.09 4.16 0.00 2.72 0.02 -1.26 -4.91 135.00 135.81 3duh s PRO 4 Ca -0.01 2.51 0.17 0.00 0.02 0.00 0.00 61.00 63.69 3duh s PRO 4 Cb -0.06 -3.04 0.32 0.00 0.02 0.00 0.00 34.50 31.74 3duh s PRO 4 CO -0.00 -0.57 1.23 0.41 -0.33 0.00 0.00 177.00 177.74 3duh n GLY 5 N 2.01 1.57 0.00 0.52 0.00 -1.26 -5.10 105.19 102.94 3duh n GLY 5 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3duh n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duh n GLY 6 N 1.01 -3.72 3.76 -0.02 0.00 -1.26 -4.99 105.19 99.97 3duh n GLY 6 Ca 0.14 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 3duh n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3duh s SER 7 N -0.10 7.14 0.46 1.61 0.15 -1.26 -5.01 113.70 116.69 3duh s SER 7 Ca 0.00 2.29 -0.21 0.00 0.70 0.00 0.00 55.95 58.73 3duh s SER 7 Cb 0.00 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 3duh s SER 7 CO 0.00 -0.24 1.05 -0.55 1.20 0.00 0.00 173.24 174.71 3duh s SER 8 N -0.92 6.41 0.64 5.45 0.15 -1.26 -5.01 113.70 119.15 3duh s SER 8 Ca 0.47 2.00 -0.18 0.00 0.70 0.00 0.00 55.95 58.93 3duh s SER 8 Cb -0.32 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.41 3duh s SER 8 CO 0.41 -0.74 1.30 -2.84 1.20 0.00 0.00 173.24 172.57 3duh s PRO 9 N -3.00 2.61 -1.38 5.44 0.02 -1.26 -4.88 135.00 132.55 3duh s PRO 9 Ca 0.65 2.07 -0.14 0.00 0.02 0.00 0.00 61.00 63.60 3duh s PRO 9 Cb -0.19 -1.88 0.08 0.00 0.02 0.00 0.00 34.50 32.53 3duh s PRO 9 CO 0.23 -1.55 2.02 0.00 -0.33 0.00 0.00 177.00 177.37 3duh n ALA 10 N -1.82 5.01 -0.24 -1.55 0.00 -1.26 -4.85 120.51 115.80 3duh n ALA 10 Ca 0.15 -3.98 -0.03 0.00 0.00 0.00 0.00 53.44 49.58 3duh n ALA 10 Cb 0.48 -3.42 0.07 0.00 0.00 0.00 0.00 19.45 16.58 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 6.34 0.78 -0.36 0.00 4.06 -1.94 -1.04 115.95 123.79 3duh h TRP 11 Ca 0.50 0.02 -0.14 0.00 2.06 0.00 0.00 58.89 61.33 3duh h TRP 11 Cb 0.70 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.59 3duh h TRP 11 CO 1.39 0.44 -0.34 1.79 -3.56 0.00 0.00 178.44 178.17 3duh h THR 12 N 0.82 1.28 -0.40 1.49 1.35 -1.88 0.20 112.91 115.76 3duh h THR 12 Ca 0.27 -1.50 -0.11 0.00 -0.55 0.00 0.00 66.41 64.53 3duh h THR 12 Cb 0.03 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 3duh h THR 12 CO -0.11 0.49 -0.19 1.56 -0.25 0.00 0.00 175.52 177.02 3duh h GLN 13 N 0.67 0.83 -0.48 4.72 4.20 -1.89 -1.92 115.11 121.24 3duh h GLN 13 Ca 0.07 -0.36 -0.11 0.00 0.06 0.00 0.00 58.65 58.31 3duh h GLN 13 Cb 0.89 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 3duh h GLN 13 CO 0.08 1.00 -0.13 0.00 -0.67 0.00 0.00 178.83 179.11 3duh h GLN 15 N 0.81 0.68 -0.14 0.00 4.15 -0.48 -0.93 115.11 119.19 3duh h GLN 15 Ca 0.13 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.29 3duh h GLN 15 Cb 0.66 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.20 3duh h GLN 15 CO 0.05 0.45 -0.77 1.96 -1.93 0.00 0.00 178.83 178.58 3duh h GLN 16 N 0.70 0.74 -0.14 1.69 4.20 -0.98 -2.35 115.11 118.96 3duh h GLN 16 Ca 0.28 -0.60 -0.15 0.00 0.06 0.00 0.00 58.65 58.24 3duh h GLN 16 Cb 0.14 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3duh h GLN 16 CO -0.16 1.21 -0.53 -0.07 -0.67 0.00 0.00 178.83 178.61 3duh h LEU 17 N 0.50 0.45 -0.36 1.46 3.38 -0.72 -1.89 115.31 118.14 3duh h LEU 17 Ca -0.05 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 3duh h LEU 17 Cb 1.39 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3duh h LEU 17 CO 0.16 0.90 -0.64 0.77 0.09 0.00 0.00 178.44 179.72 3duh h SER 18 N 0.32 0.76 -0.32 -0.43 4.64 -1.14 -1.27 113.55 116.11 3duh h SER 18 Ca 0.01 -0.44 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3duh h SER 18 Cb 1.04 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 3duh h SER 18 CO 0.09 1.20 0.19 -0.61 -0.87 0.00 0.00 176.83 176.83 3duh h GLN 19 N 0.49 0.37 -0.96 4.77 5.75 -1.47 -2.15 115.11 121.91 3duh h GLN 19 Ca -0.01 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 3duh h GLN 19 Cb 1.22 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 29.62 3duh h GLN 19 CO 0.13 0.25 0.62 -0.22 -2.65 0.00 0.00 178.83 176.95 3duh h LYS 20 N 0.38 1.05 -0.18 1.69 3.64 -1.17 -2.16 116.57 119.83 3duh h LYS 20 Ca 0.12 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3duh h LYS 20 Cb -0.01 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3duh h LYS 20 CO -0.05 0.70 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.46 3duh h LEU 21 N 1.08 0.35 -0.29 5.20 3.38 -0.93 -0.85 115.31 123.26 3duh h LEU 21 Ca 0.42 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3duh h LEU 21 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3duh h LEU 21 CO -0.17 0.64 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 3duh h THR 23 N 0.30 0.79 -0.35 0.00 2.02 -1.21 -2.66 112.91 111.81 3duh h THR 23 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3duh h THR 23 Cb 0.45 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3duh h THR 23 CO 0.02 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 175.97 3duh h LEU 24 N -0.11 0.49 -1.38 2.58 3.38 -1.04 -1.59 115.31 117.65 3duh h LEU 24 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3duh h LEU 24 Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3duh h LEU 24 CO -0.12 0.53 0.32 0.00 0.09 0.00 0.00 178.44 179.27 3duh h ALA 25 N 0.98 1.53 -0.01 1.53 0.00 -0.81 -0.79 119.26 121.70 3duh h ALA 25 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3duh h ALA 25 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3duh h ALA 25 CO -0.01 0.40 -0.13 0.91 0.00 0.00 0.00 179.25 180.42 3duh n TRP 26 N -4.42 0.00 0.19 0.00 7.02 -1.01 -3.44 117.44 115.79 3duh n TRP 26 Ca 0.05 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.60 3duh n TRP 26 Cb 0.08 -0.13 0.24 0.00 -2.42 0.00 0.00 31.31 29.08 3duh n TRP 26 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3duh h SER 27 N 0.91 0.00 -1.90 -0.99 0.87 -0.10 -3.30 113.55 109.05 3duh h SER 27 Ca 0.00 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.84 3duh h SER 27 Cb 0.39 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.20 3duh h SER 27 CO 0.00 0.29 1.51 0.00 -0.53 0.00 0.00 176.83 178.09 3duh s ALA 28 N -3.29 3.82 0.00 6.23 0.00 -1.17 -4.87 121.76 122.47 3duh s ALA 28 Ca 0.03 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 48.76 3duh s ALA 28 Cb 0.08 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.97 3duh s ALA 28 CO 0.68 -2.90 0.00 0.72 0.00 0.00 0.00 175.76 174.26 3duh n HIS 29 N 6.30 0.00 0.00 0.00 8.25 -1.25 -4.99 115.22 123.54 3duh n HIS 29 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 3duh n HIS 29 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3duh n HIS 29 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3duh n ASN 47 N 0.04 0.00 -0.69 0.41 2.85 -1.26 -4.95 115.26 111.66 3duh n ASN 47 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 3duh n ASN 47 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 3duh n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3duh n ASP 48 N 0.00 -0.20 -4.57 1.20 5.68 -1.26 -5.12 116.55 112.27 3duh n ASP 48 Ca 0.00 -1.45 -0.54 0.00 -0.50 0.00 0.00 54.79 52.29 3duh n ASP 48 Cb 0.00 0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 39.95 3duh n ASP 48 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3duh n VAL 49 N 0.03 0.01 -2.43 2.12 0.31 -1.26 -4.92 118.33 112.20 3duh n VAL 49 Ca -0.07 -0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.88 3duh n VAL 49 Cb 0.62 -0.62 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3duh n VAL 49 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3duh s PRO 50 N 0.53 4.11 0.01 5.55 0.04 -1.26 -5.05 135.00 138.93 3duh s PRO 50 Ca 0.87 1.66 0.04 0.00 0.04 0.00 0.00 61.00 63.61 3duh s PRO 50 Cb -1.05 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 3duh s PRO 50 CO 0.51 -0.22 -0.12 -1.01 0.04 0.00 0.00 177.00 176.20 3duh s HIS 51 N -1.53 1.04 -0.59 0.56 3.76 -1.26 -4.98 115.29 112.28 3duh s HIS 51 Ca 0.57 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.98 3duh s HIS 51 Cb -0.26 -0.65 -0.06 0.00 1.11 0.00 0.00 32.58 32.72 3duh s HIS 51 CO 0.33 -0.01 2.17 0.42 -0.85 0.00 0.00 174.74 176.81 3duh s ILE 52 N -0.47 3.17 0.73 0.60 -1.09 -1.26 -4.95 121.20 117.92 3duh s ILE 52 Ca 0.03 0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.46 3duh s ILE 52 Cb -0.05 -3.43 0.11 0.00 -1.58 0.00 0.00 42.46 37.50 3duh s ILE 52 CO 0.00 -0.41 1.01 -1.10 -1.23 0.00 0.00 174.94 173.21 3duh s GLN 53 N 7.79 1.78 0.38 2.79 -0.21 -1.26 -4.99 119.66 125.94 3duh s GLN 53 Ca 0.84 -0.77 0.13 0.00 0.02 0.00 0.00 55.36 55.58 3duh s GLN 53 Cb -0.14 -2.25 0.76 0.00 1.00 0.00 0.00 33.01 32.38 3duh s GLN 53 CO 0.20 -1.43 1.85 0.00 -2.12 0.00 0.00 175.29 173.80 3duh n GLY 55 N -0.56 -1.14 0.00 0.00 0.00 -1.26 -4.22 105.19 98.00 3duh n GLY 55 Ca -0.02 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3duh n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3duh n ASP 56 N -1.89 0.00 0.00 1.61 8.00 -0.99 -4.91 116.55 118.38 3duh n ASP 56 Ca 0.03 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3duh n ASP 56 Cb 0.20 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.12 0.75 0.02 0.44 0.00 -1.26 -2.72 105.19 103.53 3duh n GLY 57 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.24 3.85 0.21 0.00 -4.77 -1.26 -4.76 116.67 106.69 3duh s ASP 59 Ca 0.13 2.18 -0.14 0.00 -3.30 0.00 0.00 52.55 51.42 3duh s ASP 59 Cb 0.18 -2.57 0.23 0.00 -1.09 0.00 0.00 42.92 39.67 3duh s ASP 59 CO 0.58 -2.48 1.63 -0.65 0.70 0.00 0.00 175.17 174.95 3duh h PRO 60 N -0.98 0.01 -0.59 2.11 0.11 -1.99 -1.88 132.00 128.78 3duh h PRO 60 Ca -0.45 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3duh h PRO 60 Cb 1.27 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3duh h PRO 60 CO 0.47 0.01 0.14 1.96 -0.21 0.00 0.00 178.00 180.37 3duh h GLN 61 N 0.01 0.95 0.00 1.05 1.08 -1.93 -2.71 115.11 113.56 3duh h GLN 61 Ca 0.29 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3duh h GLN 61 Cb 0.45 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3duh h GLN 61 CO -0.61 0.88 -0.01 0.78 -0.95 0.00 0.00 178.83 178.91 3duh h GLY 62 N 0.86 0.00 0.97 3.46 0.00 -1.57 -3.02 103.07 103.76 3duh h GLY 62 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.32 3duh h GLY 62 CO 0.00 0.00 -0.75 1.41 0.00 0.00 0.00 176.54 177.20 3duh h LEU 63 N 0.00 0.70 0.54 3.11 3.38 -1.04 -2.93 115.31 119.07 3duh h LEU 63 Ca -0.00 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 3duh h LEU 63 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3duh h LEU 63 CO 0.00 1.33 -0.48 0.03 0.09 0.00 0.00 178.44 179.42 3duh h ARG 64 N 0.14 -0.97 0.07 1.13 2.47 -1.60 -3.21 114.38 112.42 3duh h ARG 64 Ca -0.09 0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 3duh h ARG 64 Cb 1.43 0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 29.92 3duh h ARG 64 CO 0.15 -0.65 -0.43 -0.44 0.56 0.00 0.00 179.97 179.16 3duh h ASP 65 N -1.00 -1.30 -1.56 7.04 3.32 -1.65 -3.42 116.42 117.85 3duh h ASP 65 Ca -0.06 0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3duh h ASP 65 Cb 0.86 0.49 -0.22 0.00 0.22 0.00 0.00 39.33 40.69 3duh h ASP 65 CO -0.03 -0.49 -0.25 0.21 -1.72 0.00 0.00 179.24 176.97 3duh s ASN 66 N -4.74 -1.07 0.07 6.45 3.84 -1.10 -5.03 114.94 113.37 3duh s ASN 66 Ca -0.16 1.08 0.24 0.00 0.21 0.00 0.00 52.86 54.23 3duh s ASN 66 Cb 0.08 2.06 0.23 0.00 -0.55 0.00 0.00 41.25 43.07 3duh s ASN 66 CO 0.63 -0.25 1.20 -1.54 -2.79 0.00 0.00 177.10 174.35 3duh n SER 67 N 5.43 0.64 -0.25 -4.21 3.41 -1.21 -4.18 113.62 113.25 3duh n SER 67 Ca -0.06 -0.07 -0.06 0.00 -0.26 0.00 0.00 58.87 58.42 3duh n SER 67 Cb 0.50 0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.95 3duh n SER 67 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3duh h GLN 68 N 0.00 0.97 0.12 4.33 4.20 -1.94 0.12 115.11 122.92 3duh h GLN 68 Ca 0.00 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.60 3duh h GLN 68 Cb 0.71 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 3duh h GLN 68 CO 0.00 0.73 -0.51 0.74 -0.67 0.00 0.00 178.83 179.12 3duh h PHE 69 N 0.96 -1.48 -0.07 2.96 0.04 -1.88 0.27 116.94 117.75 3duh h PHE 69 Ca 0.24 0.04 0.04 0.00 2.80 0.00 0.00 57.97 61.09 3duh h PHE 69 Cb 0.05 0.63 -0.05 0.00 2.20 0.00 0.00 35.95 38.78 3duh h PHE 69 CO -0.00 -0.58 -0.21 0.00 -0.60 0.00 0.00 178.31 176.92 3duh h LEU 71 N -0.29 0.62 -0.34 0.00 4.07 -0.85 0.18 115.31 118.70 3duh h LEU 71 Ca 0.08 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 3duh h LEU 71 Cb 0.41 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 3duh h LEU 71 CO -0.24 0.53 -0.07 -0.61 -1.08 0.00 0.00 178.44 176.98 3duh h GLN 72 N 0.70 0.65 -0.58 1.13 4.15 -0.60 0.25 115.11 120.81 3duh h GLN 72 Ca 0.18 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3duh h GLN 72 Cb 0.07 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3duh h GLN 72 CO -0.02 0.81 0.19 -0.09 -1.93 0.00 0.00 178.83 177.79 3duh h ARG 73 N 0.44 0.88 -0.24 1.69 9.65 -0.64 -1.49 114.38 124.67 3duh h ARG 73 Ca 0.09 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 3duh h ARG 73 Cb 0.56 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 3duh h ARG 73 CO 0.03 0.75 -0.01 0.82 2.80 0.00 0.00 179.97 184.36 3duh h ILE 74 N 0.85 1.26 -0.36 1.20 2.04 -0.38 -2.27 117.51 119.85 3duh h ILE 74 Ca 0.19 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.19 3duh h ILE 74 Cb 0.24 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3duh h ILE 74 CO -0.01 0.29 -0.12 -0.74 0.00 0.00 0.00 178.15 177.57 3duh h HIS 75 N 0.21 -0.28 -0.65 1.37 2.76 -0.19 -0.54 115.15 117.83 3duh h HIS 75 Ca 0.07 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.40 3duh h HIS 75 Cb 0.44 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.49 3duh h HIS 75 CO 0.04 -0.19 0.15 0.37 -1.30 0.00 0.00 177.93 177.00 3duh h GLN 76 N -0.04 0.27 -0.54 5.26 4.15 -1.19 -1.61 115.11 121.41 3duh h GLN 76 Ca 0.18 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 3duh h GLN 76 Cb 0.32 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 3duh h GLN 76 CO -0.40 0.18 -0.01 0.78 -1.93 0.00 0.00 178.83 177.45 3duh h GLY 77 N 0.28 1.03 0.95 2.39 0.00 -1.02 -1.82 103.07 104.88 3duh h GLY 77 Ca 0.35 -0.77 0.02 0.00 0.00 0.00 0.00 47.33 46.93 3duh h GLY 77 CO -0.43 0.71 0.58 1.41 0.00 0.00 0.00 176.54 178.81 3duh h LEU 78 N 0.83 1.00 -0.27 3.11 3.38 -0.49 -0.78 115.31 122.08 3duh h LEU 78 Ca 0.15 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3duh h LEU 78 Cb 0.55 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3duh h LEU 78 CO 0.03 0.71 -0.88 0.16 0.09 0.00 0.00 178.44 178.55 3duh h ILE 79 N 1.17 1.55 -0.09 1.22 3.07 -1.21 -0.51 117.51 122.70 3duh h ILE 79 Ca 0.34 -2.78 0.01 0.00 1.55 0.00 0.00 64.86 63.98 3duh h ILE 79 Cb -0.08 2.54 -0.01 0.00 -0.27 0.00 0.00 36.82 39.00 3duh h ILE 79 CO -0.09 0.80 0.03 0.15 -1.05 0.00 0.00 178.15 178.00 3duh h PHE 80 N 0.06 0.06 -0.48 0.16 3.57 -1.13 -2.03 116.94 117.16 3duh h PHE 80 Ca -0.03 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 3duh h PHE 80 Cb 1.52 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 3duh h PHE 80 CO 0.02 0.03 -0.19 1.88 -2.23 0.00 0.00 178.31 177.83 3duh h TYR 81 N 0.08 1.11 -0.42 0.41 0.05 -0.99 -2.57 116.97 114.64 3duh h TYR 81 Ca 0.04 -0.26 -0.04 0.00 0.05 0.00 0.00 58.73 58.52 3duh h TYR 81 Cb 0.02 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 3duh h TYR 81 CO -0.10 1.07 0.09 1.05 -1.05 0.00 0.00 178.16 179.23 3duh h GLU 82 N 0.82 0.63 -0.74 4.88 -0.00 -1.06 -1.00 114.58 118.11 3duh h GLU 82 Ca 0.11 -0.11 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 3duh h GLU 82 Cb 0.76 -0.10 -0.03 0.00 -0.00 0.00 0.00 28.75 29.37 3duh h GLU 82 CO 0.06 0.59 0.26 -0.22 -0.00 0.00 0.00 179.01 179.70 3duh h LYS 83 N 0.62 1.11 -0.41 1.06 1.63 -1.27 -1.59 116.57 117.72 3duh h LYS 83 Ca 0.14 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 3duh h LYS 83 Cb 0.25 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3duh h LYS 83 CO -0.00 0.93 0.07 -0.07 -3.45 0.00 0.00 179.45 176.93 3duh h LEU 84 N 1.08 0.65 -0.95 5.20 3.38 -0.89 -2.30 115.31 121.48 3duh h LEU 84 Ca 0.24 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3duh h LEU 84 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3duh h LEU 84 CO -0.01 0.74 -0.49 -0.07 0.09 0.00 0.00 178.44 178.70 3duh h LEU 85 N 0.53 0.00 -0.00 1.67 4.07 -1.15 -2.41 115.31 118.02 3duh h LEU 85 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3duh h LEU 85 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 3duh h LEU 85 CO 0.01 0.49 0.00 0.61 -1.08 0.00 0.00 178.44 178.46 3duh n GLY 86 N 0.06 -1.53 3.95 0.83 0.00 -0.61 -4.62 105.19 103.28 3duh n GLY 86 Ca -0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3duh n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3duh s SER 87 N -3.30 4.10 0.35 1.61 1.04 -0.87 -4.83 113.70 111.79 3duh s SER 87 Ca 0.13 0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.76 3duh s SER 87 Cb 0.17 -0.44 0.91 0.00 0.10 0.00 0.00 66.02 66.76 3duh s SER 87 CO 0.54 -2.06 1.77 -0.78 0.98 0.00 0.00 173.24 173.69 3duh h ASP 88 N -0.90 0.63 -1.01 7.02 3.58 -1.90 -1.14 116.42 122.70 3duh h ASP 88 Ca -0.41 0.10 0.23 0.00 0.42 0.00 0.00 57.03 57.37 3duh h ASP 88 Cb 1.27 -0.01 -0.11 0.00 1.72 0.00 0.00 39.33 42.20 3duh h ASP 88 CO 0.46 0.17 0.62 0.40 -2.88 0.00 0.00 179.24 178.01 3duh h ILE 89 N 0.58 0.59 0.00 2.25 2.04 -1.93 -2.70 117.51 118.34 3duh h ILE 89 Ca 0.59 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 66.25 3duh h ILE 89 Cb 1.17 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3duh h ILE 89 CO -0.36 0.10 -1.42 0.49 0.00 0.00 0.00 178.15 176.97 3duh n PHE 90 N -4.76 0.00 -1.60 1.37 3.72 -0.44 -4.45 117.46 111.30 3duh n PHE 90 Ca 0.25 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.60 3duh n PHE 90 Cb 0.73 -0.22 0.17 0.00 -0.94 0.00 0.00 39.48 39.22 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 -1.82 2.48 0.00 4.37 -2.24 -1.04 -4.90 114.28 111.13 3duh n THR 91 Ca 0.00 -3.18 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 3duh n THR 91 Cb 0.42 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3duh n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3duh n GLY 92 N -1.05 0.55 3.29 3.38 0.00 -1.06 -4.97 105.19 105.33 3duh n GLY 92 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 3duh n GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3duh n GLU 93 N -0.03 -3.96 -0.25 1.61 0.28 -1.26 -5.12 120.64 111.90 3duh n GLU 93 Ca 0.00 -1.16 0.00 0.00 -0.16 0.00 0.00 57.16 55.84 3duh n GLU 93 Cb 0.00 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 30.90 3duh n GLU 93 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3duh n PRO 94 N -5.27 0.92 0.00 3.44 -0.01 -1.26 -5.00 135.00 127.82 3duh n PRO 94 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.58 3duh n PRO 94 Cb 0.57 -0.33 0.00 0.00 -0.01 0.00 0.00 33.50 33.73 3duh n PRO 94 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 3duh n SER 100 N 1.00 0.00 0.00 2.55 2.88 -1.26 -5.08 113.62 113.72 3duh n SER 100 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3duh n SER 100 Cb 0.00 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.15 3duh n SER 100 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3duh n PRO 101 N -1.60 0.35 -0.25 -1.46 -0.04 -1.26 -4.02 135.00 126.72 3duh n PRO 101 Ca 0.00 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 3duh n PRO 101 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 3duh n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3duh h VAL 102 N 0.00 1.24 -0.35 0.52 2.07 -1.98 -0.26 116.25 117.49 3duh h VAL 102 Ca 0.00 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3duh h VAL 102 Cb 0.29 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3duh h VAL 102 CO 0.00 0.29 0.20 1.23 0.02 0.00 0.00 177.57 179.31 3duh h GLY 103 N 1.12 0.52 2.00 2.17 0.00 -1.98 -1.26 103.07 105.64 3duh h GLY 103 Ca 0.26 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 3duh h GLY 103 CO -0.03 0.22 -0.73 -1.61 0.00 0.00 0.00 176.54 174.39 3duh h GLN 104 N 0.45 0.00 -0.03 4.80 5.75 -1.77 -2.81 115.11 121.49 3duh h GLN 104 Ca 0.12 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3duh h GLN 104 Cb 0.05 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3duh h GLN 104 CO -0.02 0.73 -0.01 1.25 -2.65 0.00 0.00 178.83 178.13 3duh h LEU 105 N 0.00 0.07 -0.24 -2.39 6.46 -0.90 -1.24 115.31 117.08 3duh h LEU 105 Ca -0.01 -0.39 0.06 0.00 -0.12 0.00 0.00 57.88 57.42 3duh h LEU 105 Cb 1.31 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 41.16 3duh h LEU 105 CO 0.09 0.45 -0.15 -0.74 -0.62 0.00 0.00 178.44 177.47 3duh h HIS 106 N -0.31 -0.38 -0.47 1.25 2.76 -1.27 0.13 115.15 116.85 3duh h HIS 106 Ca 0.01 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 3duh h HIS 106 Cb 0.42 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 3duh h HIS 106 CO 0.06 -0.22 0.12 0.00 -1.30 0.00 0.00 177.93 176.59 3duh h ALA 107 N 1.03 1.33 0.00 5.26 0.00 -1.50 -2.17 119.26 123.20 3duh h ALA 107 Ca 0.13 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3duh h ALA 107 Cb 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3duh h ALA 107 CO -0.33 0.48 -0.88 0.77 0.00 0.00 0.00 179.25 179.29 3duh h SER 108 N 0.69 0.00 -0.55 0.00 0.02 -0.82 -1.43 113.55 111.46 3duh h SER 108 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3duh h SER 108 Cb 0.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3duh h SER 108 CO -0.00 0.88 0.29 -0.07 -1.14 0.00 0.00 176.83 176.79 3duh h LEU 109 N 0.00 0.70 -0.45 5.07 3.38 -0.36 -2.18 115.31 121.47 3duh h LEU 109 Ca -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3duh h LEU 109 Cb 1.61 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 3duh h LEU 109 CO 0.11 0.60 0.14 -0.07 0.09 0.00 0.00 178.44 179.32 3duh h LEU 110 N 0.74 0.65 -0.61 1.67 3.38 -1.37 -1.88 115.31 117.89 3duh h LEU 110 Ca 0.19 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3duh h LEU 110 Cb 0.07 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3duh h LEU 110 CO -0.03 0.68 0.30 1.23 0.09 0.00 0.00 178.44 180.72 3duh h GLY 111 N 0.59 0.87 0.74 0.83 0.00 -1.08 -0.13 103.07 104.88 3duh h GLY 111 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3duh h GLY 111 CO -0.01 0.10 -0.08 -2.00 0.00 0.00 0.00 176.54 174.56 3duh h LEU 112 N 0.56 0.31 -1.16 3.11 6.46 -1.35 -2.68 115.31 120.55 3duh h LEU 112 Ca 0.28 -0.42 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 3duh h LEU 112 Cb 0.23 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 3duh h LEU 112 CO -0.21 0.66 0.57 0.77 -0.62 0.00 0.00 178.44 179.61 3duh h SER 113 N -0.05 0.98 -0.78 1.25 4.64 -1.12 -1.33 113.55 117.14 3duh h SER 113 Ca 0.03 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3duh h SER 113 Cb 0.55 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 3duh h SER 113 CO 0.02 0.71 0.52 1.56 -0.87 0.00 0.00 176.83 178.77 3duh h GLN 114 N 1.15 1.00 0.00 4.77 4.20 -0.98 -2.04 115.11 123.22 3duh h GLN 114 Ca 0.32 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 3duh h GLN 114 Cb -0.12 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.42 3duh h GLN 114 CO -0.07 0.66 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.38 3duh h LEU 115 N 1.03 0.00 0.00 1.46 3.38 -0.91 -3.11 115.31 117.17 3duh h LEU 115 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3duh h LEU 115 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3duh h LEU 115 CO -0.07 0.31 -0.28 -0.07 0.09 0.00 0.00 178.44 178.41 3duh h LEU 116 N 0.00 0.00 -8.45 1.67 3.38 -0.85 -3.43 115.31 107.64 3duh h LEU 116 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 3duh h LEU 116 Cb 0.57 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3duh h LEU 116 CO 0.04 0.07 1.13 -1.10 0.09 0.00 0.00 178.44 178.68 3duh s GLN 117 N -3.20 3.10 0.58 1.13 -0.21 -1.07 -4.98 119.66 115.00 3duh s GLN 117 Ca 0.05 0.12 -0.16 0.00 0.02 0.00 0.00 55.36 55.40 3duh s GLN 117 Cb 0.06 -4.21 -0.04 0.00 1.00 0.00 0.00 33.01 29.82 3duh s GLN 117 CO 0.70 -2.22 1.04 -1.25 -2.12 0.00 0.00 175.29 171.45 3duh s PRO 118 N 5.96 3.42 0.14 2.91 0.05 -1.26 -4.96 135.00 141.25 3duh s PRO 118 Ca 0.46 1.15 -0.31 0.00 0.05 0.00 0.00 61.00 62.35 3duh s PRO 118 Cb -0.10 -2.05 -0.09 0.00 0.05 0.00 0.00 34.50 32.32 3duh s PRO 118 CO 0.19 -0.72 1.44 -2.00 0.05 0.00 0.00 177.00 175.95 3duh s GLU 119 N -4.12 4.29 0.00 4.56 2.12 -1.26 -2.56 118.70 121.74 3duh s GLU 119 Ca 0.62 2.16 0.00 0.00 0.36 0.00 0.00 54.97 58.12 3duh s GLU 119 Cb -0.15 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3duh s GLU 119 CO 0.37 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 3duh n GLY 120 N 3.48 0.73 0.05 -1.50 0.00 -1.26 -4.95 105.19 101.74 3duh n GLY 120 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 3duh n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3duh n HIS 121 N -2.00 0.19 -3.91 1.61 8.25 -1.06 -5.02 115.22 113.28 3duh n HIS 121 Ca 0.00 0.06 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 3duh n HIS 121 Cb 0.00 -0.74 0.01 0.00 1.12 0.00 0.00 29.99 30.37 3duh n HIS 121 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3duh n HIS 122 N -2.50 -1.91 0.31 4.41 8.25 -1.26 -4.87 115.22 117.65 3duh n HIS 122 Ca -0.13 0.82 0.20 0.00 -0.26 0.00 0.00 57.72 58.36 3duh n HIS 122 Cb 0.77 -3.87 1.00 0.00 1.12 0.00 0.00 29.99 29.01 3duh n HIS 122 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3duh h TRP 123 N -1.86 0.00 -4.09 4.41 4.06 -1.95 -3.42 115.95 113.09 3duh h TRP 123 Ca -0.61 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 59.84 3duh h TRP 123 Cb 1.37 0.00 0.08 0.00 -1.00 0.00 0.00 29.16 29.61 3duh h TRP 123 CO 0.53 0.00 0.43 -1.21 -3.56 0.00 0.00 178.44 174.63 3duh s GLU 124 N -3.94 3.28 0.00 0.49 2.02 -1.26 -4.93 118.70 114.36 3duh s GLU 124 Ca -0.03 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.58 3duh s GLU 124 Cb 0.11 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.35 3duh s GLU 124 CO 0.42 -0.91 0.00 2.41 0.02 0.00 0.00 175.26 177.20 3duh n THR 125 N -1.40 0.00 0.00 3.63 -1.04 -1.26 -5.21 114.28 108.99 3duh n THR 125 Ca 0.12 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3duh n THR 125 Cb 0.51 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 3duh n THR 125 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 3duh n TRP 137 N -1.81 0.00 1.44 -1.42 -0.00 -1.26 -5.27 117.44 109.12 3duh n TRP 137 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 3duh n TRP 137 Cb 0.00 0.00 0.46 0.00 -0.00 0.00 0.00 31.31 31.77 3duh n TRP 137 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 3duh n GLN 138 N 0.00 1.57 -0.14 5.87 6.02 -1.26 -4.59 117.38 124.85 3duh n GLN 138 Ca 0.00 -0.84 -0.05 0.00 -0.01 0.00 0.00 57.00 56.09 3duh n GLN 138 Cb 0.00 -1.40 0.03 0.00 1.02 0.00 0.00 30.24 29.89 3duh n GLN 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3duh h ARG 139 N 1.78 0.40 -0.11 -1.09 3.08 -1.99 -1.33 114.38 115.12 3duh h ARG 139 Ca 0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3duh h ARG 139 Cb 0.39 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3duh h ARG 139 CO 0.00 0.27 0.19 -0.07 -1.07 0.00 0.00 179.97 179.28 3duh h LEU 140 N 0.41 0.00 0.02 3.04 4.07 -1.90 0.37 115.31 121.33 3duh h LEU 140 Ca 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 3duh h LEU 140 Cb 0.12 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 3duh h LEU 140 CO -0.15 0.00 -0.32 0.25 -1.08 0.00 0.00 178.44 177.14 3duh h LEU 141 N 0.00 0.06 -0.78 1.67 5.85 -1.60 -3.11 115.31 117.40 3duh h LEU 141 Ca 0.05 -0.92 0.08 0.00 0.84 0.00 0.00 57.88 57.94 3duh h LEU 141 Cb 0.43 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 3duh h LEU 141 CO -0.00 1.13 0.44 -0.07 -0.34 0.00 0.00 178.44 179.61 3duh h LEU 142 N -0.91 0.65 -1.15 2.25 3.38 -1.01 -1.39 115.31 117.12 3duh h LEU 142 Ca -0.08 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3duh h LEU 142 Cb 1.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3duh h LEU 142 CO -0.01 0.39 -0.37 0.03 0.09 0.00 0.00 178.44 178.57 3duh h ARG 143 N 0.77 0.10 -0.10 1.13 3.08 -0.43 0.23 114.38 119.16 3duh h ARG 143 Ca 0.37 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 3duh h ARG 143 Cb 0.29 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3duh h ARG 143 CO -0.22 0.46 -0.13 0.35 -1.07 0.00 0.00 179.97 179.36 3duh h PHE 144 N 0.09 0.32 -0.77 3.04 3.57 -1.39 -2.54 116.94 119.25 3duh h PHE 144 Ca 0.01 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3duh h PHE 144 Cb 0.69 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 3duh h PHE 144 CO 0.00 0.72 0.46 0.87 -2.23 0.00 0.00 178.31 178.13 3duh h LYS 145 N -0.17 1.05 -0.11 1.11 1.79 -0.78 -2.03 116.57 117.44 3duh h LYS 145 Ca 0.01 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 3duh h LYS 145 Cb 0.68 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3duh h LYS 145 CO 0.03 0.75 -0.05 0.82 -1.08 0.00 0.00 179.45 179.91 3duh h ILE 146 N 1.05 1.32 -0.80 1.86 2.04 -0.64 -2.74 117.51 119.61 3duh h ILE 146 Ca 0.27 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3duh h ILE 146 Cb -0.03 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3duh h ILE 146 CO -0.05 0.31 0.47 -0.07 0.00 0.00 0.00 178.15 178.81 3duh h LEU 147 N -0.14 0.98 -0.56 1.44 3.38 -1.41 0.01 115.31 119.01 3duh h LEU 147 Ca 0.02 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3duh h LEU 147 Cb 0.52 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3duh h LEU 147 CO 0.02 0.77 0.32 0.03 0.09 0.00 0.00 178.44 179.67 3duh h ARG 148 N 1.10 0.61 -0.29 1.13 3.08 -1.42 -1.41 114.38 117.19 3duh h ARG 148 Ca 0.29 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 3duh h ARG 148 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3duh h ARG 148 CO -0.05 0.40 -0.34 1.03 -1.07 0.00 0.00 179.97 179.94 3duh h SER 149 N 0.63 0.66 -0.72 7.04 0.87 -1.18 -2.99 113.55 117.85 3duh h SER 149 Ca 0.24 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 3duh h SER 149 Cb 0.08 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3duh h SER 149 CO -0.13 0.95 0.22 0.25 -0.53 0.00 0.00 176.83 177.59 3duh h LEU 150 N 0.53 1.06 -0.49 2.23 5.85 -0.59 -2.74 115.31 121.17 3duh h LEU 150 Ca 0.06 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.65 3duh h LEU 150 Cb 0.85 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 3duh h LEU 150 CO 0.07 0.99 0.07 1.56 -0.34 0.00 0.00 178.44 180.79 3duh h GLN 151 N 1.07 0.19 -0.17 1.25 4.20 -1.12 0.28 115.11 120.81 3duh h GLN 151 Ca 0.23 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.96 3duh h GLN 151 Cb 0.31 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3duh h GLN 151 CO -0.01 0.13 -0.02 0.00 -0.67 0.00 0.00 178.83 178.26 3duh h ALA 152 N 1.40 0.12 -0.22 3.87 0.00 -1.44 -2.60 119.26 120.39 3duh h ALA 152 Ca 0.25 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3duh h ALA 152 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3duh h ALA 152 CO -0.34 -0.46 -0.08 0.35 0.00 0.00 0.00 179.25 178.71 3duh h PHE 153 N 0.02 0.50 0.00 0.00 3.57 -1.17 -2.98 116.94 116.89 3duh h PHE 153 Ca 0.08 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 3duh h PHE 153 Cb 0.11 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3duh h PHE 153 CO -0.18 0.70 -0.26 -0.24 -2.23 0.00 0.00 178.31 176.10 3duh h VAL 154 N 0.16 1.01 -0.33 1.41 3.04 -0.94 -1.89 116.25 118.71 3duh h VAL 154 Ca 0.05 -0.94 -0.06 0.00 -1.01 0.00 0.00 66.70 64.74 3duh h VAL 154 Cb 0.55 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 3duh h VAL 154 CO 0.03 0.25 -0.05 0.00 -1.01 0.00 0.00 177.57 176.79 3duh h ALA 155 N 1.74 0.44 0.07 3.17 0.00 -1.38 0.11 119.26 123.42 3duh h ALA 155 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3duh h ALA 155 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3duh h ALA 155 CO 0.03 0.25 -0.07 0.28 0.00 0.00 0.00 179.25 179.74 3duh h VAL 156 N 0.39 0.83 -0.53 0.00 2.07 -1.34 -2.46 116.25 115.21 3duh h VAL 156 Ca 0.09 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.71 3duh h VAL 156 Cb 0.52 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 3duh h VAL 156 CO 0.03 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.63 3duh h ALA 157 N 0.76 0.52 -0.80 1.67 0.00 -1.22 -1.21 119.26 118.99 3duh h ALA 157 Ca 0.01 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3duh h ALA 157 Cb 0.16 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3duh h ALA 157 CO -0.02 -0.38 0.47 0.00 0.00 0.00 0.00 179.25 179.32 3duh h ALA 158 N 1.47 1.11 -0.15 0.00 0.00 -0.63 -0.19 119.26 120.86 3duh h ALA 158 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3duh h ALA 158 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3duh h ALA 158 CO -0.43 0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.02 3duh h ARG 159 N 0.83 0.22 -0.02 0.00 3.08 -0.92 -1.07 114.38 116.50 3duh h ARG 159 Ca 0.36 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.40 3duh h ARG 159 Cb 0.25 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 3duh h ARG 159 CO -0.20 0.33 -0.45 0.28 -1.07 0.00 0.00 179.97 178.86 3duh h VAL 160 N 0.07 0.11 -0.14 2.04 2.07 -0.92 -0.66 116.25 118.82 3duh h VAL 160 Ca 0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3duh h VAL 160 Cb 0.20 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3duh h VAL 160 CO -0.00 0.00 -0.16 -0.26 0.02 0.00 0.00 177.57 177.17 3duh h PHE 161 N -0.59 0.23 -0.15 1.57 0.04 -0.96 0.14 116.94 117.22 3duh h PHE 161 Ca 0.04 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 3duh h PHE 161 Cb 0.67 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3duh h PHE 161 CO -0.46 0.38 -0.38 0.00 -0.60 0.00 0.00 178.31 177.25 3duh h ALA 162 N 1.63 0.25 -0.40 2.45 0.00 -1.06 -0.55 119.26 121.58 3duh h ALA 162 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3duh h ALA 162 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3duh h ALA 162 CO 0.03 0.33 0.20 1.25 0.00 0.00 0.00 179.25 181.06 3duh h HIS 163 N 0.15 0.57 0.11 0.00 -0.00 -0.85 -2.01 115.15 113.12 3duh h HIS 163 Ca -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 3duh h HIS 163 Cb 1.00 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 3duh h HIS 163 CO 0.10 0.47 -0.05 0.78 -0.00 0.00 0.00 177.93 179.23 3duh h GLY 164 N 0.51 -0.15 0.72 5.26 0.00 -0.98 -0.87 103.07 107.56 3duh h GLY 164 Ca 0.14 0.06 0.18 0.00 0.00 0.00 0.00 47.33 47.70 3duh h GLY 164 CO -0.02 -0.06 0.46 0.00 0.00 0.00 0.00 176.54 176.93 3duh h ALA 165 N 0.66 2.54 0.00 3.60 0.00 -1.04 -1.34 119.26 123.69 3duh h ALA 165 Ca -0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 3duh h ALA 165 Cb 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3duh h ALA 165 CO 0.02 -0.72 -1.95 0.00 0.00 0.00 0.00 179.25 176.60 3duh n ALA 166 N -2.64 1.85 -0.01 0.00 0.00 -0.76 -4.25 120.51 114.70 3duh n ALA 166 Ca 0.13 -0.90 0.01 0.00 0.00 0.00 0.00 53.44 52.68 3duh n ALA 166 Cb 0.69 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3duh n ALA 166 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3duh n THR 167 N -2.74 0.06 0.21 0.00 -2.24 -0.36 -4.53 114.28 104.68 3duh n THR 167 Ca -0.19 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.59 3duh n THR 167 Cb 0.95 0.11 0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3duh n THR 167 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3duh h LEU 168 N 0.00 0.00 -1.40 3.22 3.38 -1.40 -3.50 115.31 115.61 3duh h LEU 168 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3duh h LEU 168 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3duh h LEU 168 CO 0.00 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.01