#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3npk s LEU 1 N 0.00 4.17 -0.21 1.04 2.96 -1.26 -5.03 118.68 120.35 3npk s LEU 1 Ca 0.00 0.92 -0.04 0.00 -0.22 0.00 0.00 54.13 54.80 3npk s LEU 1 Cb 0.00 -2.96 0.07 0.00 0.50 0.00 0.00 46.19 43.80 3npk s LEU 1 CO 0.00 -0.28 0.08 0.21 -1.32 0.00 0.00 176.35 175.05 3npk s ASN 2 N 1.14 2.83 0.26 3.68 3.84 -1.26 -5.04 114.94 120.40 3npk s ASN 2 Ca 0.31 -0.86 0.04 0.00 0.21 0.00 0.00 52.86 52.56 3npk s ASN 2 Cb -0.16 -0.40 0.34 0.00 -0.55 0.00 0.00 41.25 40.49 3npk s ASN 2 CO 0.11 -0.36 1.64 -0.07 -2.79 0.00 0.00 177.10 175.63 3npk h LEU 3 N 8.35 0.35 0.13 3.21 3.38 -1.98 -0.51 115.31 128.24 3npk h LEU 3 Ca -0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3npk h LEU 3 Cb 1.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3npk h LEU 3 CO 0.34 0.76 -0.06 0.50 0.09 0.00 0.00 178.44 180.07 3npk h LYS 4 N 0.26 -0.17 -0.63 1.13 3.64 -1.99 -1.46 116.57 117.35 3npk h LYS 4 Ca 0.02 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3npk h LYS 4 Cb 0.91 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 3npk h LYS 4 CO 0.07 -0.02 0.20 0.93 -2.27 0.00 0.00 179.45 178.37 3npk h GLU 5 N -0.30 0.98 -0.55 1.90 5.08 -1.97 -1.37 114.58 118.36 3npk h GLU 5 Ca -0.02 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3npk h GLU 5 Cb 0.24 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3npk h GLU 5 CO 0.03 0.87 0.29 1.25 -1.00 0.00 0.00 179.01 180.45 3npk h LEU 6 N 0.91 0.43 -0.17 1.33 5.85 -1.01 -0.53 115.31 122.13 3npk h LEU 6 Ca 0.20 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 3npk h LEU 6 Cb 0.29 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.27 3npk h LEU 6 CO -0.01 0.30 -0.64 0.15 -0.34 0.00 0.00 178.44 177.90 3npk h PHE 7 N 0.56 0.96 -0.53 1.25 3.57 -1.12 -1.67 116.94 119.96 3npk h PHE 7 Ca 0.24 -0.40 0.05 0.00 3.53 0.00 0.00 57.97 61.38 3npk h PHE 7 Cb 0.13 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3npk h PHE 7 CO -0.09 1.22 0.27 0.82 -2.23 0.00 0.00 178.31 178.30 3npk h ILE 8 N 0.43 0.96 -0.69 1.41 2.04 -0.99 0.18 117.51 120.84 3npk h ILE 8 Ca -0.03 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3npk h ILE 8 Cb 1.26 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3npk h ILE 8 CO 0.13 0.10 0.17 -0.74 0.00 0.00 0.00 178.15 177.81 3npk h HIS 9 N 0.53 1.15 -0.43 1.37 2.76 -1.05 -0.89 115.15 118.58 3npk h HIS 9 Ca 0.23 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3npk h HIS 9 Cb 0.14 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 3npk h HIS 9 CO -0.10 0.93 0.24 1.25 -1.30 0.00 0.00 177.93 178.95 3npk h HIS 10 N 1.05 0.60 -0.54 5.26 -0.00 -0.44 -1.90 115.15 119.17 3npk h HIS 10 Ca 0.22 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 3npk h HIS 10 Cb 0.36 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 3npk h HIS 10 CO 0.03 0.45 0.31 1.25 -0.00 0.00 0.00 177.93 179.98 3npk h LEU 11 N 0.57 0.66 -1.30 0.26 6.46 -0.39 -2.33 115.31 119.24 3npk h LEU 11 Ca 0.15 -0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 3npk h LEU 11 Cb 0.05 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3npk h LEU 11 CO -0.02 0.54 -0.35 -0.33 -0.62 0.00 0.00 178.44 177.66 3npk h GLU 12 N 0.72 0.00 0.00 1.25 5.08 -0.93 -2.23 114.58 118.48 3npk h GLU 12 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3npk h GLU 12 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3npk h GLU 12 CO -0.03 0.35 -0.23 1.63 -1.00 0.00 0.00 179.01 179.72 3npk n LYS 13 N -4.03 0.05 -1.99 2.33 5.02 -0.73 -4.19 118.16 114.62 3npk n LYS 13 Ca -0.02 0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 3npk n LYS 13 Cb 0.40 -1.54 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3npk n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3npk n ASN 14 N -1.62 2.39 -4.76 4.39 3.02 -0.86 -5.07 115.26 112.75 3npk n ASN 14 Ca 0.06 -2.78 -0.41 0.00 -0.03 0.00 0.00 54.58 51.42 3npk n ASN 14 Cb 0.36 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3npk n ASN 14 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3npk s LEU 15 N -2.87 4.37 0.21 3.41 1.43 -1.10 -4.95 118.68 119.18 3npk s LEU 15 Ca 0.37 2.84 -0.30 0.00 -1.03 0.00 0.00 54.13 56.00 3npk s LEU 15 Cb 0.37 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.86 3npk s LEU 15 CO -0.05 -0.76 1.26 -2.16 0.23 0.00 0.00 176.35 174.87 3npk s PRO 16 N -1.11 4.43 0.11 1.29 0.04 -1.26 -5.01 135.00 133.49 3npk s PRO 16 Ca 0.57 2.00 -0.25 0.00 0.04 0.00 0.00 61.00 63.36 3npk s PRO 16 Cb -0.44 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 30.97 3npk s PRO 16 CO 0.51 -0.17 0.62 -1.59 0.04 0.00 0.00 177.00 176.42 3npk s LYS 17 N -0.40 1.22 -0.01 4.56 -2.85 -1.26 -4.67 119.74 116.32 3npk s LYS 17 Ca 0.54 -0.30 0.01 0.00 -1.00 0.00 0.00 55.97 55.22 3npk s LYS 17 Cb -0.35 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 35.99 3npk s LYS 17 CO 0.39 -0.50 -0.02 0.54 0.10 0.00 0.00 175.35 175.86 3npk s VAL 18 N -3.14 0.19 -0.07 1.79 0.11 -1.26 -5.12 120.40 112.90 3npk s VAL 18 Ca -0.02 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 3npk s VAL 18 Cb -0.01 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3npk s VAL 18 CO -0.08 0.08 1.40 -0.70 -3.33 0.00 0.00 175.10 172.47 3npk s GLU 19 N 0.23 4.25 0.23 1.54 2.12 -1.26 -4.86 118.70 120.95 3npk s GLU 19 Ca -0.02 1.90 -0.22 0.00 0.36 0.00 0.00 54.97 56.99 3npk s GLU 19 Cb -0.04 -3.73 0.06 0.00 0.26 0.00 0.00 34.13 30.68 3npk s GLU 19 CO -0.01 -0.67 0.90 -1.54 -0.54 0.00 0.00 175.26 173.40 3npk s SER 20 N 2.21 -0.12 0.00 -1.70 1.04 -1.26 -5.02 113.70 108.85 3npk s SER 20 Ca 0.62 -0.64 0.17 0.00 0.48 0.00 0.00 55.95 56.59 3npk s SER 20 Cb -0.28 0.61 0.60 0.00 0.10 0.00 0.00 66.02 67.05 3npk s SER 20 CO 0.23 -1.16 1.45 2.22 0.98 0.00 0.00 173.24 176.96 3npk n PHE 21 N -0.53 0.29 -1.91 5.02 -1.74 -1.26 -4.85 117.46 112.48 3npk n PHE 21 Ca -0.05 -0.14 -0.42 0.00 -0.56 0.00 0.00 57.45 56.27 3npk n PHE 21 Cb 0.60 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.57 3npk n PHE 21 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 3npk s HIS 22 N -1.71 2.56 -0.74 2.97 2.46 -1.26 -4.89 115.29 114.68 3npk s HIS 22 Ca 0.29 0.37 0.24 0.00 0.47 0.00 0.00 55.06 56.42 3npk s HIS 22 Cb 0.15 -3.98 0.91 0.00 -0.13 0.00 0.00 32.58 29.54 3npk s HIS 22 CO 0.22 -3.85 1.74 -0.35 -2.47 0.00 0.00 174.74 170.03 3npk n PRO 23 N 5.19 0.16 0.00 2.88 -0.04 -1.26 -4.17 135.00 137.76 3npk n PRO 23 Ca 0.16 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3npk n PRO 23 Cb 0.40 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3npk n PRO 23 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3npk n PHE 24 N -2.01 0.00 -0.27 0.54 1.16 -1.26 -4.93 117.46 110.69 3npk n PHE 24 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.57 3npk n PHE 24 Cb 0.31 0.03 0.06 0.00 -1.61 0.00 0.00 39.48 38.27 3npk n PHE 24 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3npk h PHE 25 N 0.00 0.96 -0.75 2.97 3.57 -1.99 0.19 116.94 121.89 3npk h PHE 25 Ca 0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3npk h PHE 25 Cb 0.71 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3npk h PHE 25 CO 0.00 0.63 0.25 -0.91 -2.23 0.00 0.00 178.31 176.06 3npk h ASN 26 N 1.01 1.08 -0.56 0.41 2.35 -1.89 -0.10 115.58 117.88 3npk h ASN 26 Ca 0.27 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3npk h ASN 26 Cb -0.06 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 3npk h ASN 26 CO -0.05 0.99 0.32 -0.08 -1.65 0.00 0.00 177.43 176.96 3npk h GLU 27 N 1.11 0.77 -0.44 0.81 4.81 -1.76 -1.97 114.58 117.92 3npk h GLU 27 Ca 0.24 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3npk h GLU 27 Cb 0.28 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3npk h GLU 27 CO -0.01 0.58 -0.04 0.00 -0.73 0.00 0.00 179.01 178.80 3npk h ALA 28 N 1.15 1.11 -0.59 2.92 0.00 -0.58 -1.02 119.26 122.25 3npk h ALA 28 Ca 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3npk h ALA 28 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3npk h ALA 28 CO -0.03 0.56 0.23 -0.07 0.00 0.00 0.00 179.25 179.93 3npk h LEU 29 N 0.68 0.83 -0.19 0.00 3.38 -0.78 -3.11 115.31 116.12 3npk h LEU 29 Ca 0.13 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3npk h LEU 29 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3npk h LEU 29 CO 0.02 0.78 -0.56 0.00 0.09 0.00 0.00 178.44 178.77 3npk h ALA 30 N 1.08 0.68 0.00 1.53 0.00 -1.09 -3.38 119.26 118.08 3npk h ALA 30 Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3npk h ALA 30 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3npk h ALA 30 CO -0.01 0.70 0.00 -0.11 0.00 0.00 0.00 179.25 179.83 3npk n LEU 31 N -3.31 0.00 0.00 0.00 7.94 -0.41 -0.92 117.00 120.30 3npk n LEU 31 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3npk n LEU 31 Cb 0.72 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.67 3npk n LEU 31 CO 0.41 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.87 3npk n LEU 33 N -0.32 0.00 0.10 -1.96 4.77 -1.26 -1.22 117.00 117.10 3npk n LEU 33 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3npk n LEU 33 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3npk n LEU 33 CO 0.00 0.00 0.20 0.11 -1.33 0.00 0.00 177.39 176.37 3npk h LYS 34 N 0.00 0.00 -0.73 3.23 1.57 -1.38 -3.38 116.57 115.87 3npk h LYS 34 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3npk h LYS 34 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3npk h LYS 34 CO 0.00 0.52 0.23 0.00 -0.57 0.00 0.00 179.45 179.63 3npk h ALA 35 N 1.39 0.96 0.00 3.86 0.00 -1.39 -3.48 119.26 120.61 3npk h ALA 35 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3npk h ALA 35 Cb 1.51 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3npk h ALA 35 CO 0.07 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.38 3npk n GLY 36 N -0.75 -0.86 0.00 0.00 0.00 -1.26 -4.92 105.19 97.40 3npk n GLY 36 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3npk n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3npk n GLY 37 N 0.00 3.96 0.01 -0.02 0.00 -1.26 -4.82 105.19 103.06 3npk n GLY 37 Ca 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.89 3npk n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3npk n LYS 38 N 0.00 0.03 -3.64 1.61 5.02 -1.26 -4.92 118.16 115.00 3npk n LYS 38 Ca 0.00 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.11 3npk n LYS 38 Cb 0.00 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.48 3npk n LYS 38 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3npk n HIS 39 N -1.58 -1.99 -0.16 2.13 8.25 -1.26 -4.88 115.22 115.72 3npk n HIS 39 Ca 0.06 0.68 -0.02 0.00 -0.26 0.00 0.00 57.72 58.18 3npk n HIS 39 Cb 0.30 -3.47 0.07 0.00 1.12 0.00 0.00 29.99 28.01 3npk n HIS 39 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3npk h PHE 40 N -1.48 0.04 -0.20 4.41 3.57 -1.96 0.98 116.94 122.29 3npk h PHE 40 Ca -0.51 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 3npk h PHE 40 Cb 1.34 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 3npk h PHE 40 CO 0.62 -0.08 -0.02 0.00 -2.23 0.00 0.00 178.31 176.59 3npk h ARG 41 N 0.16 0.37 -0.76 1.11 3.08 -1.97 -0.15 114.38 116.22 3npk h ARG 41 Ca 0.26 -0.13 0.11 0.00 0.07 0.00 0.00 59.98 60.29 3npk h ARG 41 Cb 0.39 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 3npk h ARG 41 CO -0.40 0.59 0.38 0.00 -1.07 0.00 0.00 179.97 179.47 3npk h ALA 42 N 0.77 1.07 -0.13 0.04 0.00 -1.74 -2.47 119.26 116.79 3npk h ALA 42 Ca 0.06 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3npk h ALA 42 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3npk h ALA 42 CO 0.01 -0.05 -0.52 1.96 0.00 0.00 0.00 179.25 180.65 3npk h GLN 43 N 0.61 0.37 -0.18 0.00 1.08 -0.31 -1.10 115.11 115.59 3npk h GLN 43 Ca 0.38 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3npk h GLN 43 Cb 0.44 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3npk h GLN 43 CO -0.30 0.81 0.09 -0.07 -0.95 0.00 0.00 178.83 178.41 3npk h LEU 44 N 0.29 0.14 -0.11 1.46 3.38 -0.71 0.16 115.31 119.91 3npk h LEU 44 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3npk h LEU 44 Cb 1.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3npk h LEU 44 CO 0.09 0.11 0.06 0.25 0.09 0.00 0.00 178.44 179.03 3npk h LEU 45 N 0.19 0.13 -1.23 1.67 6.46 -1.24 -2.38 115.31 118.93 3npk h LEU 45 Ca 0.07 -0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 3npk h LEU 45 Cb 0.01 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 3npk h LEU 45 CO -0.05 0.17 -0.33 -0.07 -0.62 0.00 0.00 178.44 177.54 3npk h LEU 46 N 0.09 0.10 -0.61 2.25 3.38 -1.08 -2.15 115.31 117.28 3npk h LEU 46 Ca 0.04 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3npk h LEU 46 Cb 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3npk h LEU 46 CO -0.01 0.43 0.21 0.28 0.09 0.00 0.00 178.44 179.44 3npk h SER 47 N 0.09 0.88 -0.55 -0.43 0.02 -0.68 0.99 113.55 113.87 3npk h SER 47 Ca 0.01 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3npk h SER 47 Cb 0.63 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3npk h SER 47 CO 0.05 0.84 0.26 0.58 -1.14 0.00 0.00 176.83 177.41 3npk h VAL 48 N 0.87 1.21 -0.16 2.27 2.07 -0.89 -1.37 116.25 120.24 3npk h VAL 48 Ca 0.20 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3npk h VAL 48 Cb 0.26 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3npk h VAL 48 CO -0.01 0.24 0.01 0.58 0.02 0.00 0.00 177.57 178.40 3npk h VAL 49 N 0.74 1.25 -0.49 2.57 2.07 -1.13 -2.38 116.25 118.88 3npk h VAL 49 Ca 0.19 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3npk h VAL 49 Cb 0.13 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3npk h VAL 49 CO -0.02 0.24 0.32 -0.61 0.02 0.00 0.00 177.57 177.52 3npk h GLN 50 N 0.04 0.65 0.00 1.57 5.75 -0.69 0.10 115.11 122.53 3npk h GLN 50 Ca 0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3npk h GLN 50 Cb 0.36 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.77 3npk h GLN 50 CO 0.01 0.44 -0.16 -1.13 -2.65 0.00 0.00 178.83 175.33 3npk n SER 51 N -4.46 0.68 -0.02 -0.69 3.41 -0.53 -3.94 113.62 108.08 3npk n SER 51 Ca 0.04 0.43 -0.05 0.00 -0.26 0.00 0.00 58.87 59.04 3npk n SER 51 Cb 0.06 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 3npk n SER 51 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3npk n ASN 52 N -2.11 0.89 -3.32 4.04 3.02 -0.91 -4.88 115.26 111.98 3npk n ASN 52 Ca 0.05 0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.39 3npk n ASN 52 Cb 0.42 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 3npk n ASN 52 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3npk n LYS 53 N -3.11 0.54 0.21 3.52 5.02 0.31 -4.99 118.16 119.67 3npk n LYS 53 Ca -0.09 -3.29 0.16 0.00 -2.02 0.00 0.00 58.31 53.07 3npk n LYS 53 Cb 0.57 -1.51 0.81 0.00 -0.02 0.00 0.00 35.03 34.87 3npk n LYS 53 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3npk h PRO 54 N 4.87 0.00 0.00 1.97 0.13 -1.65 0.47 132.00 137.79 3npk h PRO 54 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3npk h PRO 54 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3npk h PRO 54 CO 0.44 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.26 3npk h GLU 55 N 0.00 0.00 -0.31 0.86 9.09 -1.93 -1.65 114.58 120.64 3npk h GLU 55 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3npk h GLU 55 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3npk h GLU 55 CO -0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 3npk n LEU 56 N -2.64 3.05 -0.13 3.06 4.77 0.16 -4.61 117.00 120.66 3npk n LEU 56 Ca -0.02 -1.28 -0.05 0.00 -0.03 0.00 0.00 56.01 54.63 3npk n LEU 56 Cb 0.09 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3npk n LEU 56 CO 0.16 0.64 0.97 0.25 -1.33 0.00 0.00 177.39 178.08 3npk h LEU 57 N 4.04 0.21 -0.68 2.23 5.85 -1.42 -0.06 115.31 125.47 3npk h LEU 57 Ca 0.00 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3npk h LEU 57 Cb 0.89 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3npk h LEU 57 CO 0.00 0.16 0.18 0.78 -0.34 0.00 0.00 178.44 179.22 3npk h ASN 58 N 0.35 1.02 0.66 1.25 -0.26 -1.82 -1.97 115.58 114.81 3npk h ASN 58 Ca 0.19 -0.23 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 3npk h ASN 58 Cb 0.16 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 3npk h ASN 58 CO -0.18 0.98 -0.12 1.56 -1.06 0.00 0.00 177.43 178.61 3npk h GLN 59 N 1.01 0.00 0.00 0.81 7.50 -1.74 -2.37 115.11 120.32 3npk h GLN 59 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 3npk h GLN 59 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.88 3npk h GLN 59 CO -0.00 0.12 0.00 0.00 -1.50 0.00 0.00 178.83 177.45 3npk h ALA 60 N 1.88 1.00 -0.94 3.87 0.00 -0.24 -3.35 119.26 121.48 3npk h ALA 60 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3npk h ALA 60 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3npk h ALA 60 CO 0.02 0.00 0.58 -0.07 0.00 0.00 0.00 179.25 179.77 3npk h LEU 61 N 0.00 0.85 -1.29 0.00 3.38 -1.19 -0.83 115.31 116.23 3npk h LEU 61 Ca 0.00 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3npk h LEU 61 Cb 0.82 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3npk h LEU 61 CO 0.00 0.48 -0.25 0.44 0.09 0.00 0.00 178.44 179.20 3npk h ASP 62 N 0.95 0.15 -0.19 -0.43 3.32 -1.77 0.03 116.42 118.48 3npk h ASP 62 Ca 0.45 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.36 3npk h ASP 62 Cb 0.39 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3npk h ASP 62 CO -0.24 0.41 -0.26 0.58 -1.72 0.00 0.00 179.24 178.01 3npk h VAL 63 N 0.14 1.34 -0.90 -1.35 2.07 -1.41 -1.57 116.25 114.57 3npk h VAL 63 Ca 0.02 -1.47 0.06 0.00 0.82 0.00 0.00 66.70 66.14 3npk h VAL 63 Cb 0.53 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 3npk h VAL 63 CO 0.04 0.45 0.58 0.00 0.02 0.00 0.00 177.57 178.66 3npk h ALA 64 N 0.61 1.51 -0.50 1.67 0.00 -1.04 -2.18 119.26 119.33 3npk h ALA 64 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3npk h ALA 64 Cb 0.83 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3npk h ALA 64 CO 0.06 0.37 0.22 1.25 0.00 0.00 0.00 179.25 181.15 3npk h LEU 65 N 1.03 0.68 -0.69 0.00 5.85 -0.76 -1.79 115.31 119.63 3npk h LEU 65 Ca 0.38 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3npk h LEU 65 Cb 0.17 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3npk h LEU 65 CO -0.14 0.64 0.44 0.00 -0.34 0.00 0.00 178.44 179.04 3npk h ALA 66 N 1.06 0.90 -0.60 1.25 0.00 -0.80 0.57 119.26 121.65 3npk h ALA 66 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3npk h ALA 66 Cb 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3npk h ALA 66 CO -0.02 0.22 0.33 -0.07 0.00 0.00 0.00 179.25 179.71 3npk h LEU 67 N 0.86 0.50 -0.67 0.00 3.38 -1.09 -1.69 115.31 116.60 3npk h LEU 67 Ca 0.27 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 3npk h LEU 67 Cb 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3npk h LEU 67 CO -0.10 0.33 -0.64 -0.33 0.09 0.00 0.00 178.44 177.80 3npk h GLU 68 N 0.63 0.12 -0.34 1.13 4.39 -0.64 -0.91 114.58 118.97 3npk h GLU 68 Ca 0.26 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.89 3npk h GLU 68 Cb 0.13 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3npk h GLU 68 CO -0.16 0.71 0.18 0.74 -1.16 0.00 0.00 179.01 179.32 3npk h PHE 69 N 0.08 0.33 -0.20 4.33 -1.00 -0.62 0.57 116.94 120.43 3npk h PHE 69 Ca -0.01 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3npk h PHE 69 Cb 1.14 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 3npk h PHE 69 CO 0.01 0.18 0.11 0.82 -1.61 0.00 0.00 178.31 177.82 3npk h ILE 70 N 0.36 1.10 -0.49 -0.55 1.08 -1.07 -0.88 117.51 117.07 3npk h ILE 70 Ca 0.14 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3npk h ILE 70 Cb 0.04 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 3npk h ILE 70 CO -0.09 0.10 0.32 -0.74 -0.69 0.00 0.00 178.15 177.05 3npk h HIS 71 N 0.22 0.62 -0.52 1.37 2.76 -1.01 -1.49 115.15 117.10 3npk h HIS 71 Ca 0.07 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3npk h HIS 71 Cb 0.06 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3npk h HIS 71 CO -0.04 0.40 0.16 1.15 -1.30 0.00 0.00 177.93 178.29 3npk h THR 72 N 0.66 1.23 -0.83 6.26 2.02 -0.77 -1.87 112.91 119.61 3npk h THR 72 Ca 0.18 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.59 3npk h THR 72 Cb -0.07 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 3npk h THR 72 CO -0.04 0.29 0.54 0.10 0.37 0.00 0.00 175.52 176.79 3npk h TYR 73 N 0.71 1.03 -0.90 3.16 -0.00 -0.86 -1.44 116.97 118.66 3npk h TYR 73 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.91 3npk h TYR 73 Cb 0.28 -0.34 -0.04 0.00 0.00 0.00 0.00 36.73 36.62 3npk h TYR 73 CO 0.02 0.62 0.53 0.66 -0.00 0.00 0.00 178.16 179.99 3npk h SER 74 N 1.09 1.09 -0.55 0.10 4.64 -0.81 -1.14 113.55 117.96 3npk h SER 74 Ca 0.32 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 3npk h SER 74 Cb -0.06 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 3npk h SER 74 CO -0.09 0.84 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.63 3npk h LEU 75 N 1.24 0.96 -0.28 5.97 3.38 -0.60 0.02 115.31 126.00 3npk h LEU 75 Ca 0.32 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3npk h LEU 75 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3npk h LEU 75 CO -0.06 1.04 0.12 0.40 0.09 0.00 0.00 178.44 180.03 3npk h ILE 76 N 0.85 1.17 -0.44 1.22 2.04 -0.83 -1.56 117.51 119.96 3npk h ILE 76 Ca 0.15 -0.51 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 3npk h ILE 76 Cb 0.55 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3npk h ILE 76 CO 0.03 0.17 -0.26 0.45 0.00 0.00 0.00 178.15 178.54 3npk h HIS 77 N 0.31 1.10 0.00 1.37 3.86 -1.13 -3.05 115.15 117.61 3npk h HIS 77 Ca 0.09 -0.29 -0.04 0.00 -1.16 0.00 0.00 60.37 58.98 3npk h HIS 77 Cb 0.17 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3npk h HIS 77 CO -0.01 1.11 -0.18 -0.44 0.86 0.00 0.00 177.93 179.26 3npk h ASP 78 N 0.78 0.00 1.09 2.45 3.32 -0.84 -1.98 116.42 121.25 3npk h ASP 78 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3npk h ASP 78 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3npk h ASP 78 CO 0.07 0.18 0.00 0.47 -1.72 0.00 0.00 179.24 178.25 3npk n ASP 79 N -3.92 0.21 -4.65 6.45 8.00 -0.60 -0.53 116.55 121.51 3npk n ASP 79 Ca -0.02 0.52 -0.36 0.00 0.71 0.00 0.00 54.79 55.64 3npk n ASP 79 Cb 0.27 -0.58 0.09 0.00 -0.02 0.00 0.00 41.12 40.88 3npk n ASP 79 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3npk n LEU 80 N -1.70 4.22 -0.29 0.64 4.77 -0.75 -0.99 117.00 122.92 3npk n LEU 80 Ca 0.06 0.71 0.19 0.00 -0.03 0.00 0.00 56.01 56.94 3npk n LEU 80 Cb 0.35 -1.45 0.47 0.00 -2.33 0.00 0.00 43.42 40.46 3npk n LEU 80 CO 0.27 -1.74 1.22 -0.65 -1.33 0.00 0.00 177.39 175.16 3npk h PRO 81 N -0.09 0.47 0.00 3.23 0.11 -1.91 0.30 132.00 134.11 3npk h PRO 81 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3npk h PRO 81 Cb 1.33 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3npk h PRO 81 CO 0.48 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 3npk n ALA 82 N -2.47 1.66 0.30 -0.75 0.00 -1.26 -4.17 120.51 113.82 3npk n ALA 82 Ca 0.21 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.71 3npk n ALA 82 Cb 0.71 -1.13 0.48 0.00 0.00 0.00 0.00 19.45 19.51 3npk n ALA 82 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3npk h ASP 84 N 0.00 0.00 -5.92 0.00 3.32 -0.68 -3.53 116.42 109.60 3npk h ASP 84 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3npk h ASP 84 Cb 0.04 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.69 3npk h ASP 84 CO 0.00 0.00 -0.84 -3.20 -1.72 0.00 0.00 179.24 173.48 3npk n ASN 85 N -2.79 -2.90 -4.81 6.45 5.15 0.08 -4.96 115.26 111.48 3npk n ASN 85 Ca 0.00 -0.80 -0.38 0.00 -0.60 0.00 0.00 54.58 52.81 3npk n ASN 85 Cb 0.68 -4.34 -0.06 0.00 -0.53 0.00 0.00 39.78 35.53 3npk n ASN 85 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3npk s ALA 86 N -3.54 3.65 -0.24 5.20 0.00 -0.16 -4.91 121.76 121.76 3npk s ALA 86 Ca 0.15 -0.25 0.21 0.00 0.00 0.00 0.00 51.96 52.08 3npk s ALA 86 Cb -0.04 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.68 3npk s ALA 86 CO 0.79 0.36 1.10 -0.44 0.00 0.00 0.00 175.76 177.57 3npk h ASP 87 N 5.27 0.00 -4.97 0.00 3.32 -1.93 -3.43 116.42 114.69 3npk h ASP 87 Ca -0.49 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.38 3npk h ASP 87 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 3npk h ASP 87 CO 0.65 0.12 -0.70 -0.36 -1.72 0.00 0.00 179.24 177.23 3npk s PHE 88 N -3.25 0.39 -0.21 4.55 0.08 -1.26 -1.76 117.98 116.51 3npk s PHE 88 Ca 0.00 -0.62 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 3npk s PHE 88 Cb 0.09 -0.27 0.06 0.00 -0.57 0.00 0.00 43.02 42.33 3npk s PHE 88 CO 0.78 -0.20 0.53 0.50 -0.10 0.00 0.00 175.22 176.73 3npk s ARG 89 N -1.95 0.56 -1.46 0.44 6.06 0.45 -4.77 118.95 118.28 3npk s ARG 89 Ca -0.10 0.89 -0.04 0.00 -2.50 0.00 0.00 55.73 53.98 3npk s ARG 89 Cb -0.07 0.14 0.02 0.00 0.06 0.00 0.00 34.95 35.10 3npk s ARG 89 CO -0.02 -0.13 0.33 0.54 -2.50 0.00 0.00 175.30 173.52 3npk n ARG 90 N 3.73 -3.36 -0.59 5.12 1.74 -1.26 -1.73 116.66 120.31 3npk n ARG 90 Ca -0.19 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3npk n ARG 90 Cb 0.57 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 26.48 3npk n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3npk n GLY 91 N -1.20 0.97 3.33 -0.13 0.00 -1.26 -4.47 105.19 102.43 3npk n GLY 91 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 3npk n GLY 91 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3npk s ILE 92 N -3.26 1.08 0.56 -0.61 -4.36 -0.71 -5.13 121.20 108.78 3npk s ILE 92 Ca 0.00 -2.04 -0.21 0.00 -0.26 0.00 0.00 60.65 58.14 3npk s ILE 92 Cb 0.00 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 3npk s ILE 92 CO 0.00 -0.34 1.34 -2.84 0.24 0.00 0.00 174.94 173.35 3npk s PRO 93 N -3.85 3.08 0.79 0.37 0.02 -1.26 -0.41 135.00 133.75 3npk s PRO 93 Ca 0.28 2.20 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 3npk s PRO 93 Cb 0.05 -2.21 0.07 0.00 0.02 0.00 0.00 34.50 32.44 3npk s PRO 93 CO 0.09 -1.22 1.11 0.95 -0.33 0.00 0.00 177.00 177.59 3npk s THR 94 N -1.32 3.01 0.41 0.99 -4.23 -0.72 -4.66 115.64 109.11 3npk s THR 94 Ca 0.73 0.34 0.08 0.00 -1.18 0.00 0.00 61.69 61.66 3npk s THR 94 Cb -0.40 -2.73 0.25 0.00 1.34 0.00 0.00 72.50 70.97 3npk s THR 94 CO 0.46 -0.42 2.05 -0.07 -0.54 0.00 0.00 174.62 176.10 3npk h LEU 95 N -1.19 0.43 -0.60 4.79 3.38 -1.93 -0.88 115.31 119.31 3npk h LEU 95 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3npk h LEU 95 Cb 1.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3npk h LEU 95 CO 0.49 0.34 0.00 1.12 0.09 0.00 0.00 178.44 180.48 3npk h HIS 96 N 0.50 0.00 0.14 1.13 2.07 -1.91 0.70 115.15 117.77 3npk h HIS 96 Ca 0.13 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.29 3npk h HIS 96 Cb -0.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.96 3npk h HIS 96 CO 0.00 0.00 -1.90 0.87 -3.07 0.00 0.00 177.93 173.83 3npk h LYS 97 N 0.00 0.30 -0.01 5.12 1.79 -1.52 -3.25 116.57 119.00 3npk h LYS 97 Ca 0.00 -0.52 -0.20 0.00 -2.18 0.00 0.00 60.65 57.75 3npk h LYS 97 Cb 0.62 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 3npk h LYS 97 CO 0.00 1.23 -0.86 0.77 -1.08 0.00 0.00 179.45 179.51 3npk h SER 98 N 0.08 0.38 0.00 0.86 0.02 -1.18 -3.45 113.55 110.27 3npk h SER 98 Ca -0.39 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 3npk h SER 98 Cb 2.06 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.48 3npk h SER 98 CO 0.12 1.07 0.00 -1.22 -1.14 0.00 0.00 176.83 175.66 3npk n TYR 99 N -3.73 0.00 -3.81 3.45 4.01 0.23 -5.09 117.16 112.22 3npk n TYR 99 Ca -0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.65 3npk n TYR 99 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.82 3npk n TYR 99 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3npk s ASP 100 N 0.88 -0.12 0.23 7.72 1.47 -1.16 -4.91 116.67 120.78 3npk s ASP 100 Ca 0.00 -0.60 -0.06 0.00 1.18 0.00 0.00 52.55 53.07 3npk s ASP 100 Cb 0.00 0.58 0.23 0.00 -0.34 0.00 0.00 42.92 43.39 3npk s ASP 100 CO 0.00 -1.10 1.80 -0.33 0.68 0.00 0.00 175.17 176.22 3npk h GLU 101 N 2.00 1.12 -0.37 2.11 5.08 -1.87 -2.22 114.58 120.43 3npk h GLU 101 Ca -0.25 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 57.97 3npk h GLU 101 Cb 1.23 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3npk h GLU 101 CO 0.29 0.91 0.06 1.15 -1.00 0.00 0.00 179.01 180.42 3npk h THR 102 N 1.09 0.79 -0.61 1.13 2.02 -1.96 -0.03 112.91 115.35 3npk h THR 102 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3npk h THR 102 Cb 0.22 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3npk h THR 102 CO -0.02 0.03 0.34 0.74 0.37 0.00 0.00 175.52 176.98 3npk h THR 103 N 0.17 1.20 -0.44 3.16 2.02 -1.84 -0.34 112.91 116.84 3npk h THR 103 Ca 0.18 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3npk h THR 103 Cb 0.21 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3npk h THR 103 CO -0.25 0.21 0.23 0.00 0.37 0.00 0.00 175.52 176.09 3npk h ALA 104 N 1.16 0.57 -0.06 6.16 0.00 -0.95 0.19 119.26 126.33 3npk h ALA 104 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3npk h ALA 104 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3npk h ALA 104 CO -0.03 0.11 0.04 0.82 0.00 0.00 0.00 179.25 180.18 3npk h ILE 105 N 0.57 1.06 -0.20 0.00 2.04 -0.70 -1.96 117.51 118.32 3npk h ILE 105 Ca 0.15 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 3npk h ILE 105 Cb 0.08 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3npk h ILE 105 CO -0.02 0.05 -0.56 -0.07 0.00 0.00 0.00 178.15 177.54 3npk h LEU 106 N 0.04 0.68 -0.59 1.44 3.38 -0.83 -0.93 115.31 118.49 3npk h LEU 106 Ca 0.02 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3npk h LEU 106 Cb 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3npk h LEU 106 CO -0.00 1.10 0.28 0.58 0.09 0.00 0.00 178.44 180.48 3npk h VAL 107 N 0.46 1.21 -0.63 1.22 2.07 -0.59 0.58 116.25 120.58 3npk h VAL 107 Ca 0.01 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3npk h VAL 107 Cb 1.12 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3npk h VAL 107 CO 0.11 0.25 0.39 1.23 0.02 0.00 0.00 177.57 179.57 3npk h GLY 108 N 0.80 0.90 0.92 2.17 0.00 -1.05 -0.85 103.07 105.97 3npk h GLY 108 Ca 0.20 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3npk h GLY 108 CO -0.02 0.35 0.31 -0.55 0.00 0.00 0.00 176.54 176.63 3npk h ASP 109 N 0.85 0.51 -0.72 0.19 3.32 -0.80 -1.31 116.42 118.47 3npk h ASP 109 Ca 0.23 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.30 3npk h ASP 109 Cb -0.05 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3npk h ASP 109 CO -0.04 0.36 0.46 0.00 -1.72 0.00 0.00 179.24 178.29 3npk h ALA 110 N 1.21 0.93 -0.07 3.45 0.00 -0.51 -2.30 119.26 121.96 3npk h ALA 110 Ca 0.19 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3npk h ALA 110 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3npk h ALA 110 CO -0.07 0.25 -0.65 -0.07 0.00 0.00 0.00 179.25 178.71 3npk h LEU 111 N 0.90 0.33 0.32 0.00 3.38 -0.71 0.22 115.31 119.75 3npk h LEU 111 Ca 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3npk h LEU 111 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3npk h LEU 111 CO -0.10 0.89 -0.22 -1.13 0.09 0.00 0.00 178.44 177.97 3npk h ASN 112 N 0.21 -0.56 -0.55 -0.43 -0.73 -1.08 -1.77 115.58 110.67 3npk h ASN 112 Ca -0.01 0.04 -0.10 0.00 1.87 0.00 0.00 56.30 58.10 3npk h ASN 112 Cb 1.18 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.93 3npk h ASN 112 CO 0.10 -0.34 -0.04 0.74 -0.37 0.00 0.00 177.43 177.52 3npk h THR 113 N -0.53 1.26 0.00 -3.57 2.02 -1.29 -2.96 112.91 107.85 3npk h THR 113 Ca -0.03 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.91 3npk h THR 113 Cb 0.45 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3npk h THR 113 CO 0.01 0.42 -0.27 -0.08 0.37 0.00 0.00 175.52 175.97 3npk h GLU 114 N 0.92 0.00 -0.92 6.66 4.57 -0.42 -1.41 114.58 123.98 3npk h GLU 114 Ca 0.16 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.45 3npk h GLU 114 Cb 0.59 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 3npk h GLU 114 CO 0.04 0.27 0.55 0.00 -1.18 0.00 0.00 179.01 178.69 3npk h ALA 115 N 1.73 1.36 -0.00 2.92 0.00 -1.14 0.17 119.26 124.29 3npk h ALA 115 Ca -0.00 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3npk h ALA 115 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3npk h ALA 115 CO 0.04 0.15 -0.82 0.74 0.00 0.00 0.00 179.25 179.36 3npk h PHE 116 N 0.89 0.18 -0.17 0.00 0.04 -1.37 -1.15 116.94 115.36 3npk h PHE 116 Ca 0.45 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 3npk h PHE 116 Cb 0.45 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 3npk h PHE 116 CO -0.03 0.88 0.07 1.25 -0.60 0.00 0.00 178.31 179.88 3npk h LEU 117 N 0.07 0.23 -0.41 1.54 5.85 -1.07 -0.85 115.31 120.67 3npk h LEU 117 Ca -0.03 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3npk h LEU 117 Cb 1.43 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 3npk h LEU 117 CO 0.12 0.33 0.21 0.58 -0.34 0.00 0.00 178.44 179.34 3npk h VAL 118 N 0.12 1.16 -0.59 1.05 2.07 -0.95 -2.29 116.25 116.83 3npk h VAL 118 Ca 0.06 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3npk h VAL 118 Cb 0.17 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3npk h VAL 118 CO -0.00 0.18 0.38 -0.07 0.02 0.00 0.00 177.57 178.07 3npk h LEU 119 N 0.53 0.65 -1.94 2.57 3.38 -1.15 -2.37 115.31 116.99 3npk h LEU 119 Ca 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3npk h LEU 119 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3npk h LEU 119 CO -0.02 0.46 -0.08 0.77 0.09 0.00 0.00 178.44 179.66 3npk h SER 120 N 0.77 0.00 -0.14 -0.43 4.64 -0.81 -2.10 113.55 115.48 3npk h SER 120 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3npk h SER 120 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3npk h SER 120 CO -0.06 0.08 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 3npk n HIS 121 N -3.39 0.16 -1.44 4.77 8.25 -0.89 -4.99 115.22 117.69 3npk n HIS 121 Ca -0.01 -0.08 -0.36 0.00 -0.26 0.00 0.00 57.72 57.01 3npk n HIS 121 Cb 0.24 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.44 3npk n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3npk n ALA 122 N 0.98 0.35 -1.90 -1.41 0.00 -0.79 -4.85 120.51 112.88 3npk n ALA 122 Ca 0.17 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 3npk n ALA 122 Cb 0.51 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 3npk n ALA 122 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3npk n HIS 123 N -2.47 2.75 -4.04 0.00 8.25 -1.26 -4.84 115.22 113.61 3npk n HIS 123 Ca 0.14 -2.89 -0.08 0.00 -0.26 0.00 0.00 57.72 54.64 3npk n HIS 123 Cb 0.49 -2.09 -0.10 0.00 1.12 0.00 0.00 29.99 29.41 3npk n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3npk s LEU 124 N -0.61 2.27 0.50 2.41 1.43 -1.26 -4.88 118.68 118.53 3npk s LEU 124 Ca 0.53 -0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 3npk s LEU 124 Cb 0.16 0.35 -0.07 0.00 0.03 0.00 0.00 46.19 46.65 3npk s LEU 124 CO -0.06 -0.60 1.24 0.29 0.23 0.00 0.00 176.35 177.45 3npk n LYS 125 N 0.20 1.63 -0.31 1.70 5.02 -1.26 -4.76 118.16 120.37 3npk n LYS 125 Ca -0.15 0.59 0.07 0.00 -2.02 0.00 0.00 58.31 56.81 3npk n LYS 125 Cb 0.61 -2.40 0.28 0.00 -0.02 0.00 0.00 35.03 33.50 3npk n LYS 125 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3npk h ASP 126 N 1.54 0.85 -0.98 4.39 3.32 -1.99 -1.13 116.42 122.41 3npk h ASP 126 Ca -0.49 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.60 3npk h ASP 126 Cb 1.31 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 3npk h ASP 126 CO 0.57 0.48 0.65 -0.08 -1.72 0.00 0.00 179.24 179.14 3npk h GLU 127 N 0.93 1.29 -0.32 3.56 4.81 -2.00 -0.27 114.58 122.58 3npk h GLU 127 Ca 0.44 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 3npk h GLU 127 Cb 0.44 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3npk h GLU 127 CO -0.20 0.85 -0.21 0.82 -0.73 0.00 0.00 179.01 179.54 3npk h ILE 128 N 1.33 1.29 -0.64 2.32 2.04 -1.64 -2.79 117.51 119.42 3npk h ILE 128 Ca 0.36 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 3npk h ILE 128 Cb -0.15 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3npk h ILE 128 CO -0.08 0.43 0.19 0.11 0.00 0.00 0.00 178.15 178.81 3npk h LYS 129 N 0.46 0.98 -0.72 2.37 1.57 -0.67 -0.72 116.57 119.84 3npk h LYS 129 Ca 0.06 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3npk h LYS 129 Cb 0.76 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3npk h LYS 129 CO 0.06 0.85 0.32 0.82 -0.57 0.00 0.00 179.45 180.92 3npk h ILE 130 N 0.95 1.24 -0.68 1.86 1.08 -1.05 -0.14 117.51 120.76 3npk h ILE 130 Ca 0.21 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3npk h ILE 130 Cb 0.29 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 3npk h ILE 130 CO -0.01 0.30 0.44 0.11 -0.69 0.00 0.00 178.15 178.30 3npk h LYS 131 N 1.03 0.91 -0.66 2.37 1.57 -1.11 -1.09 116.57 119.58 3npk h LYS 131 Ca 0.24 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3npk h LYS 131 Cb 0.17 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3npk h LYS 131 CO -0.03 0.62 0.19 -0.07 -0.57 0.00 0.00 179.45 179.60 3npk h LEU 132 N 0.93 0.98 -0.49 2.94 3.38 -0.72 -1.27 115.31 121.07 3npk h LEU 132 Ca 0.25 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3npk h LEU 132 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3npk h LEU 132 CO -0.05 0.94 0.05 0.40 0.09 0.00 0.00 178.44 179.87 3npk h ILE 133 N 0.97 1.25 -0.43 1.22 2.04 -0.75 -0.15 117.51 121.66 3npk h ILE 133 Ca 0.21 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3npk h ILE 133 Cb 0.32 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3npk h ILE 133 CO -0.00 0.34 0.19 0.11 0.00 0.00 0.00 178.15 178.79 3npk h LYS 134 N 0.69 0.38 -0.41 2.37 1.57 -0.95 0.19 116.57 120.40 3npk h LYS 134 Ca 0.14 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3npk h LYS 134 Cb 0.43 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3npk h LYS 134 CO 0.01 0.25 0.11 1.15 -0.57 0.00 0.00 179.45 180.40 3npk h THR 135 N 0.39 1.23 -0.24 -0.16 2.02 -0.97 -1.81 112.91 113.37 3npk h THR 135 Ca 0.19 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.51 3npk h THR 135 Cb 0.13 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3npk h THR 135 CO -0.16 0.27 -0.20 0.25 0.37 0.00 0.00 175.52 176.05 3npk h LEU 136 N 0.52 0.59 -0.87 2.58 5.85 -0.78 -2.38 115.31 120.81 3npk h LEU 136 Ca 0.13 -0.46 -0.11 0.00 0.84 0.00 0.00 57.88 58.27 3npk h LEU 136 Cb 0.30 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3npk h LEU 136 CO 0.00 0.92 -0.41 0.00 -0.34 0.00 0.00 178.44 178.61 3npk h ALA 137 N 0.68 1.04 0.07 1.25 0.00 -0.96 0.10 119.26 121.44 3npk h ALA 137 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3npk h ALA 137 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3npk h ALA 137 CO 0.05 0.61 -0.03 0.35 0.00 0.00 0.00 179.25 180.23 3npk h PHE 138 N 0.26 -0.09 0.00 0.00 3.04 -1.32 -2.38 116.94 116.45 3npk h PHE 138 Ca 0.02 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 3npk h PHE 138 Cb 0.84 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 3npk h PHE 138 CO 0.02 0.26 -0.71 -0.91 -2.02 0.00 0.00 178.31 174.95 3npk h ASN 139 N -0.44 0.00 0.86 0.41 2.35 -1.30 -3.15 115.58 114.31 3npk h ASN 139 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3npk h ASN 139 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3npk h ASN 139 CO 0.02 0.71 -0.64 0.00 -1.65 0.00 0.00 177.43 175.86 3npk h ALA 140 N 1.29 0.57 -3.00 -0.83 0.00 -0.90 -3.35 119.26 113.05 3npk h ALA 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3npk h ALA 140 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3npk h ALA 140 CO 0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3npk n GLY 141 N 1.33 1.77 0.31 0.00 0.00 -0.90 -3.83 105.19 103.87 3npk n GLY 141 Ca 0.03 -1.87 0.18 0.00 0.00 0.00 0.00 46.02 44.37 3npk n GLY 141 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3npk h LEU 142 N 0.00 0.00 -0.04 0.99 8.10 -1.81 -0.81 115.31 121.74 3npk h LEU 142 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3npk h LEU 142 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 3npk h LEU 142 CO 0.00 0.03 -0.01 0.59 -4.11 0.00 0.00 178.44 174.94 3npk n ASN 143 N -3.37 0.08 0.00 0.17 3.02 -1.24 -3.78 115.26 110.14 3npk n ASN 143 Ca -0.02 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3npk n ASN 143 Cb 0.14 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3npk n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3npk n GLY 144 N 1.17 0.00 0.00 7.41 0.00 -0.42 -4.86 105.19 108.50 3npk n GLY 144 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3npk n GLY 144 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3npk n VAL 146 N -0.38 0.00 0.04 1.61 0.31 -0.57 -1.64 118.33 117.70 3npk n VAL 146 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3npk n VAL 146 Cb 0.00 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.14 3npk n VAL 146 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3npk h ILE 147 N 0.00 1.27 -0.58 2.52 6.09 -1.70 -0.03 117.51 125.09 3npk h ILE 147 Ca 0.00 -1.31 -0.02 0.00 -1.37 0.00 0.00 64.86 62.15 3npk h ILE 147 Cb 0.00 1.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.70 3npk h ILE 147 CO 0.00 0.41 0.26 1.23 -3.07 0.00 0.00 178.15 176.98 3npk h GLY 148 N 1.05 0.90 0.99 8.18 0.00 -1.55 -0.15 103.07 112.49 3npk h GLY 148 Ca 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 3npk h GLY 148 CO 0.05 0.44 0.03 -1.61 0.00 0.00 0.00 176.54 175.45 3npk h GLN 149 N 0.79 0.82 -0.60 4.80 5.75 -1.74 -0.40 115.11 124.52 3npk h GLN 149 Ca 0.20 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3npk h GLN 149 Cb 0.14 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3npk h GLN 149 CO -0.02 0.86 0.38 0.00 -2.65 0.00 0.00 178.83 177.39 3npk h ALA 150 N 0.93 0.76 -0.36 3.38 0.00 -0.72 -0.71 119.26 122.54 3npk h ALA 150 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3npk h ALA 150 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3npk h ALA 150 CO 0.02 0.21 0.10 0.82 0.00 0.00 0.00 179.25 180.40 3npk h ILE 151 N 0.81 1.22 -0.35 0.00 2.04 -0.94 -0.32 117.51 119.96 3npk h ILE 151 Ca 0.22 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.39 3npk h ILE 151 Cb -0.06 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3npk h ILE 151 CO -0.04 0.25 0.07 -0.78 0.00 0.00 0.00 178.15 177.65 3npk h ASP 152 N 0.44 0.01 -0.24 1.72 3.58 -0.73 -1.23 116.42 119.97 3npk h ASP 152 Ca 0.12 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 3npk h ASP 152 Cb 0.28 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 3npk h ASP 152 CO -0.00 0.04 -0.06 0.00 -2.88 0.00 0.00 179.24 176.34 3npk h PHE 154 N 0.20 0.70 -0.39 0.00 3.57 -0.86 -3.04 116.94 117.11 3npk h PHE 154 Ca 0.06 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3npk h PHE 154 Cb 0.53 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3npk h PHE 154 CO 0.05 0.78 0.00 1.19 -2.23 0.00 0.00 178.31 178.10 3npk n PHE 155 N -4.14 0.51 0.15 0.41 3.72 -0.48 -4.30 117.46 113.33 3npk n PHE 155 Ca 0.00 -0.26 0.10 0.00 -0.05 0.00 0.00 57.45 57.24 3npk n PHE 155 Cb 0.40 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.54 3npk n PHE 155 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3npk h GLU 156 N 3.31 0.12 -0.47 -1.08 4.11 -1.39 -0.88 114.58 118.31 3npk h GLU 156 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 3npk h GLU 156 Cb 0.74 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3npk h GLU 156 CO 0.00 0.08 0.03 -0.40 0.07 0.00 0.00 179.01 178.79 3npk n ASP 157 N -4.50 4.84 -1.80 3.06 5.75 -1.26 -4.94 116.55 117.71 3npk n ASP 157 Ca 0.01 -3.03 -0.05 0.00 -0.01 0.00 0.00 54.79 51.71 3npk n ASP 157 Cb 0.19 -0.64 -0.02 0.00 -1.03 0.00 0.00 41.12 39.63 3npk n ASP 157 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3npk n LYS 158 N 0.04 0.61 -5.11 0.11 5.02 -0.34 -5.16 118.16 113.33 3npk n LYS 158 Ca 0.27 -0.70 -0.29 0.00 -2.02 0.00 0.00 58.31 55.58 3npk n LYS 158 Cb 1.10 0.44 -0.16 0.00 -0.02 0.00 0.00 35.03 36.39 3npk n LYS 158 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3npk s ARG 159 N -2.30 1.94 0.06 1.97 0.52 -1.26 -5.00 118.95 114.88 3npk s ARG 159 Ca 0.05 -0.80 0.07 0.00 -0.52 0.00 0.00 55.73 54.54 3npk s ARG 159 Cb 0.00 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 3npk s ARG 159 CO 0.04 0.44 -0.18 -0.51 0.02 0.00 0.00 175.30 175.12 3npk s LEU 160 N -0.41 2.66 0.85 2.53 1.02 -1.26 -5.13 118.68 118.94 3npk s LEU 160 Ca 0.05 -0.45 -0.12 0.00 0.02 0.00 0.00 54.13 53.64 3npk s LEU 160 Cb -0.10 -1.54 0.10 0.00 0.02 0.00 0.00 46.19 44.67 3npk s LEU 160 CO 0.00 0.24 1.14 -0.94 0.02 0.00 0.00 176.35 176.81 3npk s SER 161 N -1.63 4.05 0.16 2.29 1.04 -1.26 -4.83 113.70 113.52 3npk s SER 161 Ca 0.16 0.97 -0.16 0.00 0.48 0.00 0.00 55.95 57.39 3npk s SER 161 Cb -0.11 -1.55 0.04 0.00 0.10 0.00 0.00 66.02 64.50 3npk s SER 161 CO 0.07 -2.21 1.79 0.25 0.98 0.00 0.00 173.24 174.12 3npk h LEU 162 N -1.26 0.36 -0.96 2.42 5.85 -1.99 0.30 115.31 120.03 3npk h LEU 162 Ca -0.48 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3npk h LEU 162 Cb 1.32 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 3npk h LEU 162 CO 0.63 0.26 0.63 0.78 -0.34 0.00 0.00 178.44 180.40 3npk h ASN 163 N 0.46 1.08 -0.57 1.25 2.35 -1.99 -0.07 115.58 118.08 3npk h ASN 163 Ca 0.16 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3npk h ASN 163 Cb 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3npk h ASN 163 CO -0.08 0.76 0.02 -0.33 -1.65 0.00 0.00 177.43 176.15 3npk h GLU 164 N 1.26 1.01 -0.57 0.81 5.08 -1.80 -1.28 114.58 119.09 3npk h GLU 164 Ca 0.36 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3npk h GLU 164 Cb -0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3npk h GLU 164 CO -0.10 0.98 -0.02 1.25 -1.00 0.00 0.00 179.01 180.12 3npk h LEU 165 N 0.93 1.01 -0.65 1.33 5.85 -0.40 -0.47 115.31 122.91 3npk h LEU 165 Ca 0.17 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3npk h LEU 165 Cb 0.51 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3npk h LEU 165 CO 0.02 1.08 0.25 -0.33 -0.34 0.00 0.00 178.44 179.13 3npk h GLU 166 N 0.91 0.97 -0.38 1.25 5.08 -0.88 -1.96 114.58 119.58 3npk h GLU 166 Ca 0.16 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3npk h GLU 166 Cb 0.58 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3npk h GLU 166 CO 0.03 0.82 0.21 0.35 -1.00 0.00 0.00 179.01 179.42 3npk h PHE 167 N 0.91 0.39 0.23 4.33 3.04 -0.96 0.25 116.94 125.13 3npk h PHE 167 Ca 0.22 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.19 3npk h PHE 167 Cb 0.21 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 3npk h PHE 167 CO 0.01 0.22 -0.39 1.25 -2.02 0.00 0.00 178.31 177.39 3npk h LEU 168 N 0.43 -1.11 -0.65 0.59 6.46 -0.76 -1.69 115.31 118.58 3npk h LEU 168 Ca 0.15 0.11 -0.15 0.00 -0.12 0.00 0.00 57.88 57.88 3npk h LEU 168 Cb 0.03 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 3npk h LEU 168 CO -0.08 -0.50 -0.59 0.45 -0.62 0.00 0.00 178.44 177.10 3npk h HIS 169 N -0.70 0.35 -0.95 1.25 3.86 -1.24 0.14 115.15 117.87 3npk h HIS 169 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3npk h HIS 169 Cb 0.68 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 3npk h HIS 169 CO -0.29 0.80 0.60 1.15 0.86 0.00 0.00 177.93 181.04 3npk h THR 170 N 0.21 1.25 0.07 2.45 2.02 -0.79 -1.49 112.91 116.63 3npk h THR 170 Ca -0.00 -0.52 -0.17 0.00 0.77 0.00 0.00 66.41 66.49 3npk h THR 170 Cb 1.09 -0.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3npk h THR 170 CO 0.09 0.26 -0.72 0.45 0.37 0.00 0.00 175.52 175.98 3npk h HIS 171 N 1.30 0.58 -0.51 3.16 3.86 -0.92 -0.67 115.15 121.95 3npk h HIS 171 Ca 0.34 -0.37 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3npk h HIS 171 Cb -0.09 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3npk h HIS 171 CO 0.00 1.23 0.21 -0.22 0.86 0.00 0.00 177.93 180.02 3npk h LYS 172 N -0.24 0.75 0.00 2.45 3.64 -0.59 -3.39 116.57 119.19 3npk h LYS 172 Ca -0.11 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3npk h LYS 172 Cb 1.49 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3npk h LYS 172 CO 0.14 0.65 -0.69 0.25 -2.27 0.00 0.00 179.45 177.53 3npk n THR 173 N -4.56 0.00 0.01 1.00 -2.24 -0.60 -4.84 114.28 103.05 3npk n THR 173 Ca 0.02 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.72 3npk n THR 173 Cb 0.15 -0.57 0.09 0.00 -2.10 0.00 0.00 70.33 67.90 3npk n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3npk h ALA 174 N 0.00 0.80 -0.63 6.98 0.00 -1.03 -3.04 119.26 122.34 3npk h ALA 174 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3npk h ALA 174 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3npk h ALA 174 CO 0.00 0.67 0.40 0.00 0.00 0.00 0.00 179.25 180.32 3npk h ARG 175 N 0.40 0.77 -0.17 0.00 2.47 -1.32 0.61 114.38 117.14 3npk h ARG 175 Ca 0.02 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 3npk h ARG 175 Cb 1.00 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 3npk h ARG 175 CO 0.09 0.51 -0.43 1.25 0.56 0.00 0.00 179.97 181.95 3npk h LEU 176 N 0.79 0.42 -0.32 3.04 5.85 -1.74 0.21 115.31 123.57 3npk h LEU 176 Ca 0.24 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3npk h LEU 176 Cb -0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3npk h LEU 176 CO -0.08 0.80 -0.00 0.40 -0.34 0.00 0.00 178.44 179.21 3npk h ILE 177 N 0.32 1.26 -0.77 4.05 2.04 -1.34 -1.25 117.51 121.82 3npk h ILE 177 Ca 0.03 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3npk h ILE 177 Cb 0.89 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3npk h ILE 177 CO 0.07 0.31 0.38 0.00 0.00 0.00 0.00 178.15 178.91 3npk h ALA 178 N 0.84 1.22 -0.62 1.87 0.00 -0.65 -2.50 119.26 119.43 3npk h ALA 178 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3npk h ALA 178 Cb 0.44 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3npk h ALA 178 CO 0.02 0.60 0.40 0.00 0.00 0.00 0.00 179.25 180.27 3npk h ALA 179 N 1.33 0.78 -0.52 0.00 0.00 -0.31 -0.14 119.26 120.40 3npk h ALA 179 Ca 0.27 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3npk h ALA 179 Cb 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3npk h ALA 179 CO -0.04 0.23 0.28 0.00 0.00 0.00 0.00 179.25 179.72 3npk h ALA 180 N 1.22 0.67 -0.25 0.00 0.00 -0.80 -2.63 119.26 117.46 3npk h ALA 180 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3npk h ALA 180 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3npk h ALA 180 CO -0.05 -0.05 0.02 -0.07 0.00 0.00 0.00 179.25 179.11 3npk h LEU 181 N 0.55 0.42 -2.12 0.00 3.38 -1.21 -2.36 115.31 113.96 3npk h LEU 181 Ca 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3npk h LEU 181 Cb 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3npk h LEU 181 CO -0.14 0.60 0.00 1.17 0.09 0.00 0.00 178.44 180.16 3npk n LYS 182 N -4.66 0.12 0.00 1.13 4.81 -0.09 -2.14 118.16 117.33 3npk n LYS 182 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3npk n LYS 182 Cb 0.22 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.83 3npk n LYS 182 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3npk n GLY 184 N 1.01 0.00 0.35 3.14 0.00 -0.89 -0.79 105.19 108.00 3npk n GLY 184 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3npk n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3npk h GLU 186 N 1.21 0.96 -0.97 0.00 5.08 -1.25 -1.29 114.58 118.31 3npk h GLU 186 Ca 0.29 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3npk h GLU 186 Cb 0.11 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 3npk h GLU 186 CO -0.04 1.03 0.63 0.82 -1.00 0.00 0.00 179.01 180.46 3npk h ILE 187 N 0.85 1.16 -0.00 3.13 2.04 -1.79 -1.90 117.51 121.00 3npk h ILE 187 Ca 0.13 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3npk h ILE 187 Cb 0.69 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3npk h ILE 187 CO 0.05 0.22 -0.03 0.00 0.00 0.00 0.00 178.15 178.39 3npk n GLU 189 N -0.96 -5.57 -1.43 0.00 1.02 -0.58 -4.97 120.64 108.16 3npk n GLU 189 Ca 0.18 0.63 -0.32 0.00 -0.02 0.00 0.00 57.16 57.63 3npk n GLU 189 Cb 0.21 -5.43 0.08 0.00 -0.02 0.00 0.00 31.44 26.28 3npk n GLU 189 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3npk s LEU 190 N -7.10 3.18 0.68 -4.62 1.43 -0.67 -4.98 118.68 106.61 3npk s LEU 190 Ca 0.45 1.96 -0.16 0.00 -1.03 0.00 0.00 54.13 55.35 3npk s LEU 190 Cb -0.22 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.47 3npk s LEU 190 CO 0.82 -1.97 1.19 0.54 0.23 0.00 0.00 176.35 177.16 3npk s ASN 191 N -2.92 4.61 0.39 2.29 2.20 -1.26 -4.77 114.94 115.47 3npk s ASN 191 Ca 0.65 2.30 0.05 0.00 -0.94 0.00 0.00 52.86 54.92 3npk s ASN 191 Cb -0.20 -2.58 0.78 0.00 -2.00 0.00 0.00 41.25 37.25 3npk s ASN 191 CO 0.50 -1.98 2.04 0.78 -2.94 0.00 0.00 177.10 175.49 3npk h ASN 192 N 0.05 0.57 0.24 3.54 2.35 -1.99 -1.47 115.58 118.87 3npk h ASN 192 Ca -0.48 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3npk h ASN 192 Cb 1.29 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3npk h ASN 192 CO 0.52 0.41 -0.27 -0.08 -1.65 0.00 0.00 177.43 176.36 3npk h GLU 193 N 0.67 -0.53 -0.65 0.81 4.57 -1.99 0.01 114.58 117.47 3npk h GLU 193 Ca 0.19 0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.33 3npk h GLU 193 Cb -0.05 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3npk h GLU 193 CO -0.04 -0.35 0.11 0.93 -1.18 0.00 0.00 179.01 178.48 3npk h GLU 194 N -0.55 1.06 -0.54 1.92 5.08 -1.82 -1.45 114.58 118.29 3npk h GLU 194 Ca -0.00 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 3npk h GLU 194 Cb 0.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3npk h GLU 194 CO -0.07 0.97 0.01 0.77 -1.00 0.00 0.00 179.01 179.68 3npk h SER 195 N 1.00 0.88 -0.22 1.42 0.02 -1.07 -1.11 113.55 114.47 3npk h SER 195 Ca 0.20 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 3npk h SER 195 Cb 0.42 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3npk h SER 195 CO 0.01 0.93 -0.40 0.78 -1.14 0.00 0.00 176.83 177.02 3npk h ASN 196 N 0.84 0.81 -0.80 3.07 4.21 -0.74 -1.43 115.58 121.53 3npk h ASN 196 Ca 0.16 -0.37 -0.04 0.00 1.21 0.00 0.00 56.30 57.26 3npk h ASN 196 Cb 0.49 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.42 3npk h ASN 196 CO 0.02 1.11 0.34 1.56 -1.29 0.00 0.00 177.43 179.17 3npk h GLN 197 N 0.62 1.19 -0.32 0.81 4.20 -0.91 -1.38 115.11 119.31 3npk h GLN 197 Ca 0.05 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 3npk h GLN 197 Cb 0.95 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 3npk h GLN 197 CO 0.09 0.95 -0.45 0.82 -0.67 0.00 0.00 178.83 179.56 3npk h ILE 198 N 1.16 1.28 -0.28 2.54 2.04 -1.09 -1.27 117.51 121.89 3npk h ILE 198 Ca 0.27 -1.64 0.03 0.00 1.00 0.00 0.00 64.86 64.52 3npk h ILE 198 Cb 0.19 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3npk h ILE 198 CO -0.03 0.54 0.09 0.22 0.00 0.00 0.00 178.15 178.97 3npk h TYR 199 N 0.67 0.16 -0.83 1.37 5.03 -1.09 -0.35 116.97 121.94 3npk h TYR 199 Ca 0.04 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 3npk h TYR 199 Cb 1.04 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 39.25 3npk h TYR 199 CO 0.06 0.07 0.40 0.87 -1.32 0.00 0.00 178.16 178.24 3npk h LYS 200 N 0.21 1.19 -0.79 1.82 1.57 -1.07 -1.37 116.57 118.13 3npk h LYS 200 Ca 0.13 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3npk h LYS 200 Cb 0.10 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3npk h LYS 200 CO -0.14 0.91 0.45 -0.07 -0.57 0.00 0.00 179.45 180.03 3npk h LEU 201 N 1.18 0.97 -1.03 2.94 3.38 -0.94 -2.45 115.31 119.36 3npk h LEU 201 Ca 0.28 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3npk h LEU 201 Cb 0.11 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3npk h LEU 201 CO -0.04 0.77 0.65 1.23 0.09 0.00 0.00 178.44 181.14 3npk h GLY 202 N 1.09 1.50 1.03 0.83 0.00 -0.04 -0.13 103.07 107.35 3npk h GLY 202 Ca 0.28 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3npk h GLY 202 CO -0.05 0.36 0.30 1.41 0.00 0.00 0.00 176.54 178.56 3npk h LEU 203 N 1.19 1.03 -0.35 3.11 3.38 -0.84 -0.72 115.31 122.10 3npk h LEU 203 Ca 0.42 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3npk h LEU 203 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3npk h LEU 203 CO -0.16 0.92 -0.17 0.11 0.09 0.00 0.00 178.44 179.23 3npk h LYS 204 N 1.07 0.74 -0.86 1.13 1.57 -0.99 -2.47 116.57 116.76 3npk h LYS 204 Ca 0.25 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3npk h LYS 204 Cb 0.21 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3npk h LYS 204 CO -0.02 0.94 0.43 -0.07 -0.57 0.00 0.00 179.45 180.16 3npk h LEU 205 N 0.52 1.11 -0.97 2.94 3.38 -0.84 -0.64 115.31 120.82 3npk h LEU 205 Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3npk h LEU 205 Cb 0.72 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3npk h LEU 205 CO 0.05 0.92 0.43 1.23 0.09 0.00 0.00 178.44 181.16 3npk h GLY 206 N 1.23 1.24 0.87 0.83 0.00 -1.00 0.21 103.07 106.45 3npk h GLY 206 Ca 0.30 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3npk h GLY 206 CO -0.04 0.55 -0.13 -2.00 0.00 0.00 0.00 176.54 174.93 3npk h LEU 207 N 1.16 0.57 -0.78 3.11 6.46 -0.93 -2.53 115.31 122.37 3npk h LEU 207 Ca 0.29 -0.41 0.08 0.00 -0.12 0.00 0.00 57.88 57.72 3npk h LEU 207 Cb 0.06 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 39.77 3npk h LEU 207 CO -0.04 0.85 0.45 0.40 -0.62 0.00 0.00 178.44 179.47 3npk h ILE 208 N 0.28 0.94 -0.48 4.05 2.04 -0.75 -0.85 117.51 122.74 3npk h ILE 208 Ca 0.06 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3npk h ILE 208 Cb 0.64 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3npk h ILE 208 CO 0.04 0.14 0.31 -0.26 0.00 0.00 0.00 178.15 178.38 3npk h PHE 209 N 0.78 0.62 -0.53 1.37 0.04 -0.82 0.15 116.94 118.55 3npk h PHE 209 Ca 0.36 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.10 3npk h PHE 209 Cb 0.28 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3npk h PHE 209 CO -0.06 0.40 0.17 0.37 -0.60 0.00 0.00 178.31 178.58 3npk h GLN 210 N 0.65 0.83 -0.35 1.51 5.75 -0.91 -0.04 115.11 122.55 3npk h GLN 210 Ca 0.18 -0.18 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 3npk h GLN 210 Cb -0.05 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 3npk h GLN 210 CO -0.04 0.76 -0.05 0.82 -2.65 0.00 0.00 178.83 177.67 3npk h ILE 211 N 0.73 1.27 -0.51 2.39 2.04 -0.95 -1.41 117.51 121.07 3npk h ILE 211 Ca 0.17 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.03 3npk h ILE 211 Cb 0.28 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 3npk h ILE 211 CO -0.01 0.36 0.13 -1.13 0.00 0.00 0.00 178.15 177.50 3npk h ASN 212 N 0.45 0.07 -0.32 1.72 -1.24 -0.51 -0.06 115.58 115.69 3npk h ASN 212 Ca 0.09 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.18 3npk h ASN 212 Cb 0.54 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 3npk h ASN 212 CO 0.03 0.06 0.20 0.44 -1.29 0.00 0.00 177.43 176.87 3npk h ASP 213 N 0.28 0.38 -0.86 1.15 3.32 -0.83 0.75 116.42 120.60 3npk h ASP 213 Ca 0.25 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.34 3npk h ASP 213 Cb 0.32 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3npk h ASP 213 CO -0.30 0.30 0.56 0.44 -1.72 0.00 0.00 179.24 178.52 3npk h ASP 214 N 0.42 0.82 0.24 6.45 3.32 -0.61 -2.52 116.42 124.53 3npk h ASP 214 Ca 0.12 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3npk h ASP 214 Cb -0.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3npk h ASP 214 CO -0.02 0.51 -0.11 0.40 -1.72 0.00 0.00 179.24 178.29 3npk h ILE 215 N 0.92 0.78 0.00 0.35 2.04 -0.38 -3.02 117.51 118.20 3npk h ILE 215 Ca 0.38 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3npk h ILE 215 Cb 0.28 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3npk h ILE 215 CO -0.15 0.16 0.37 0.40 0.00 0.00 0.00 178.15 178.93 3npk h ILE 216 N -0.77 0.00 0.00 -0.67 2.04 -0.65 -3.52 117.51 113.94 3npk h ILE 216 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3npk h ILE 216 Cb 0.50 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3npk h ILE 216 CO 0.05 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.67 3npk n ASP 217 N -2.78 0.00 0.00 1.72 8.00 -0.97 -5.10 116.55 117.42 3npk n ASP 217 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3npk n ASP 217 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3npk n ASP 217 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3npk n ASN 236 N 0.00 0.00 -4.85 -2.24 3.02 -1.26 -5.13 115.26 104.80 3npk n ASN 236 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 3npk n ASN 236 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3npk n ASN 236 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3npk s SER 237 N 0.00 6.39 0.40 6.41 0.15 -1.26 -5.00 113.70 120.80 3npk s SER 237 Ca 0.00 0.47 0.09 0.00 0.70 0.00 0.00 55.95 57.21 3npk s SER 237 Cb 0.00 -2.09 0.84 0.00 -1.71 0.00 0.00 66.02 63.06 3npk s SER 237 CO 0.00 0.36 1.97 -0.26 1.20 0.00 0.00 173.24 176.51 3npk h PHE 238 N 5.29 0.33 -0.15 3.44 0.04 -1.94 -2.64 116.94 121.31 3npk h PHE 238 Ca -0.52 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.05 3npk h PHE 238 Cb 1.21 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.26 3npk h PHE 238 CO 0.72 0.34 -0.65 0.28 -0.60 0.00 0.00 178.31 178.40 3npk h VAL 239 N 0.32 1.33 -0.75 -0.55 2.07 -1.88 0.35 116.25 117.14 3npk h VAL 239 Ca 0.08 -1.94 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 3npk h VAL 239 Cb 0.21 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3npk h VAL 239 CO 0.00 0.60 0.27 0.78 0.02 0.00 0.00 177.57 179.24 3npk h ASN 240 N 0.41 1.06 -0.03 0.57 2.35 -1.85 0.22 115.58 118.31 3npk h ASN 240 Ca -0.01 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 3npk h ASN 240 Cb 1.22 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3npk h ASN 240 CO 0.12 0.97 -0.15 0.25 -1.65 0.00 0.00 177.43 176.97 3npk h LEU 241 N 1.10 0.18 0.00 1.61 5.85 -1.34 -3.38 115.31 119.32 3npk h LEU 241 Ca 0.25 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 3npk h LEU 241 Cb 0.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3npk h LEU 241 CO -0.01 0.82 -2.03 0.18 -0.34 0.00 0.00 178.44 177.06 3npk n LEU 242 N -4.61 0.00 0.00 2.25 4.77 0.10 -5.11 117.00 114.40 3npk n LEU 242 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3npk n LEU 242 Cb 0.41 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3npk n LEU 242 CO 0.37 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3npk n GLY 243 N 1.36 -0.92 0.09 -0.72 0.00 0.78 -4.39 105.19 101.39 3npk n GLY 243 Ca -0.08 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 3npk n GLY 243 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3npk h LEU 244 N 0.00 0.16 -0.04 0.99 6.46 -1.92 -1.09 115.31 119.88 3npk h LEU 244 Ca 0.00 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 3npk h LEU 244 Cb 0.00 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 3npk h LEU 244 CO 0.00 0.27 -0.21 -0.33 -0.62 0.00 0.00 178.44 177.55 3npk h GLU 245 N 0.04 -0.30 -0.11 1.25 5.08 -1.96 -0.89 114.58 117.68 3npk h GLU 245 Ca 0.04 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3npk h GLU 245 Cb 0.16 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3npk h GLU 245 CO -0.00 -0.20 -0.31 0.37 -1.00 0.00 0.00 179.01 177.86 3npk h GLN 246 N -0.31 0.20 -0.16 2.33 5.75 -1.76 -2.24 115.11 118.92 3npk h GLN 246 Ca 0.07 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3npk h GLN 246 Cb 0.41 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 3npk h GLN 246 CO -0.22 0.50 0.08 0.00 -2.65 0.00 0.00 178.83 176.55 3npk h ALA 247 N 1.50 0.21 -0.65 3.38 0.00 -0.40 0.80 119.26 124.11 3npk h ALA 247 Ca 0.02 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3npk h ALA 247 Cb 0.65 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3npk h ALA 247 CO 0.05 -0.24 0.43 0.82 0.00 0.00 0.00 179.25 180.30 3npk h ILE 248 N 0.15 1.04 -0.59 0.00 2.04 -1.02 -1.22 117.51 117.91 3npk h ILE 248 Ca 0.06 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 3npk h ILE 248 Cb 0.09 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3npk h ILE 248 CO -0.01 0.13 0.05 0.50 0.00 0.00 0.00 178.15 178.82 3npk h LYS 249 N 0.70 0.99 -0.28 2.37 1.63 -0.74 -1.05 116.57 120.19 3npk h LYS 249 Ca 0.27 -0.28 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 3npk h LYS 249 Cb 0.19 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3npk h LYS 249 CO -0.08 0.95 -0.04 1.15 -3.45 0.00 0.00 179.45 177.98 3npk h THR 250 N 0.92 1.27 0.37 1.00 2.02 0.18 -2.18 112.91 116.49 3npk h THR 250 Ca 0.18 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 3npk h THR 250 Cb 0.47 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3npk h THR 250 CO 0.02 0.32 -0.18 0.50 0.37 0.00 0.00 175.52 176.56 3npk h LYS 251 N 0.29 -0.48 -0.44 6.66 3.64 -1.16 -2.66 116.57 122.42 3npk h LYS 251 Ca 0.07 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3npk h LYS 251 Cb 0.49 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 3npk h LYS 251 CO 0.02 -0.30 0.18 0.93 -2.27 0.00 0.00 179.45 178.02 3npk h GLU 252 N -0.54 0.36 -0.67 1.90 5.08 -1.20 0.10 114.58 119.62 3npk h GLU 252 Ca -0.05 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.43 3npk h GLU 252 Cb 0.41 -0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.46 3npk h GLU 252 CO 0.08 0.24 -0.05 -0.97 -1.00 0.00 0.00 179.01 177.31 3npk h ASN 253 N 0.37 -0.40 -0.25 1.42 -0.73 -1.37 -2.62 115.58 111.99 3npk h ASN 253 Ca 0.20 0.18 -0.12 0.00 1.87 0.00 0.00 56.30 58.43 3npk h ASN 253 Cb 0.16 0.34 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 3npk h ASN 253 CO -0.18 -0.17 -0.25 -0.07 -0.37 0.00 0.00 177.43 176.39 3npk h LEU 254 N 0.07 0.74 -1.16 0.34 3.38 -0.46 0.22 115.31 118.44 3npk h LEU 254 Ca 0.35 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.19 3npk h LEU 254 Cb 0.57 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3npk h LEU 254 CO -0.62 0.96 0.60 -0.07 0.09 0.00 0.00 178.44 179.41 3npk h LEU 255 N 0.63 0.75 -0.17 1.67 3.38 -1.02 -0.53 115.31 120.03 3npk h LEU 255 Ca 0.08 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3npk h LEU 255 Cb 0.75 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3npk h LEU 255 CO 0.06 0.36 -0.10 0.78 0.09 0.00 0.00 178.44 179.64 3npk h ASN 256 N 0.79 0.38 -0.72 -0.43 2.35 -0.33 -0.31 115.58 117.31 3npk h ASN 256 Ca 0.49 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3npk h ASN 256 Cb 0.71 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 3npk h ASN 256 CO -0.25 0.72 0.47 -0.33 -1.65 0.00 0.00 177.43 176.39 3npk h GLU 257 N 0.03 0.95 -0.58 0.81 5.08 -0.55 -1.18 114.58 119.14 3npk h GLU 257 Ca 0.04 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3npk h GLU 257 Cb 0.59 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3npk h GLU 257 CO 0.03 0.64 0.33 0.00 -1.00 0.00 0.00 179.01 179.01 3npk h GLU 259 N 0.64 -0.28 0.00 0.00 4.57 0.20 3.20 114.58 122.91 3npk h GLU 259 Ca 0.24 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3npk h GLU 259 Cb 0.09 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3npk h GLU 259 CO -0.13 -0.19 0.00 1.04 -1.18 0.00 0.00 179.01 178.55 3npk n GLN 260 N -5.35 0.00 -0.33 1.92 3.00 -0.99 -1.32 117.38 114.31 3npk n GLN 260 Ca -0.03 0.64 0.03 0.00 -0.01 0.00 0.00 57.00 57.62 3npk n GLN 260 Cb 0.26 -1.49 0.10 0.00 0.00 0.00 0.00 30.24 29.11 3npk n GLN 260 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 3npk h ASP 261 N 0.00 -1.01 0.94 1.08 3.45 -1.05 -3.06 116.42 116.77 3npk h ASP 261 Ca 0.00 0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.69 3npk h ASP 261 Cb 0.00 0.61 0.01 0.00 -0.56 0.00 0.00 39.33 39.39 3npk h ASP 261 CO 0.00 -0.30 -0.46 0.25 -1.57 0.00 0.00 179.24 177.16 3npk h LEU 262 N -0.01 -1.09 -0.07 1.55 5.85 0.61 -3.28 115.31 118.85 3npk h LEU 262 Ca 0.40 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.18 3npk h LEU 262 Cb 0.65 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 3npk h LEU 262 CO -0.93 -0.77 0.86 1.21 -0.34 0.00 0.00 178.44 178.46 3npk n GLU 263 N -5.64 0.02 0.27 1.25 4.07 -0.44 0.13 120.64 120.31 3npk n GLU 263 Ca -0.16 0.80 0.16 0.00 -0.06 0.00 0.00 57.16 57.90 3npk n GLU 263 Cb 0.50 -2.16 0.70 0.00 -0.06 0.00 0.00 31.44 30.43 3npk n GLU 263 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3npk h LYS 264 N 0.00 0.00 -6.70 5.31 1.57 -1.76 -3.45 116.57 111.53 3npk h LYS 264 Ca 0.03 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.31 3npk h LYS 264 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 3npk h LYS 264 CO -0.00 0.05 0.04 -0.48 -0.57 0.00 0.00 179.45 178.49 3npk s LEU 265 N -6.40 3.96 0.22 2.94 0.05 0.36 -4.99 118.68 114.82 3npk s LEU 265 Ca 0.00 1.06 -0.32 0.00 0.05 0.00 0.00 54.13 54.92 3npk s LEU 265 Cb 0.10 -3.90 -0.12 0.00 -2.05 0.00 0.00 46.19 40.22 3npk s LEU 265 CO 0.55 -0.28 1.68 -3.20 -0.55 0.00 0.00 176.35 174.55 3npk n ASN 266 N -0.90 3.89 -0.32 1.48 2.85 -1.26 -4.69 115.26 116.31 3npk n ASN 266 Ca 0.02 1.08 0.20 0.00 -0.11 0.00 0.00 54.58 55.77 3npk n ASN 266 Cb 0.54 -1.57 0.47 0.00 1.24 0.00 0.00 39.78 40.46 3npk n ASN 266 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 3npk h GLU 267 N 6.26 0.46 0.21 1.20 4.11 -1.94 0.57 114.58 125.46 3npk h GLU 267 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3npk h GLU 267 Cb 1.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3npk h GLU 267 CO 0.92 0.31 -0.40 -0.22 0.07 0.00 0.00 179.01 179.68 3npk h LYS 268 N 0.48 -0.63 -0.57 1.06 3.64 -1.96 -1.49 116.57 117.09 3npk h LYS 268 Ca 0.58 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.97 3npk h LYS 268 Cb 1.32 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.26 3npk h LYS 268 CO -0.31 -0.42 0.23 1.25 -2.27 0.00 0.00 179.45 177.93 3npk h LEU 269 N -0.66 0.79 -0.88 5.20 7.12 -1.34 -3.14 115.31 122.40 3npk h LEU 269 Ca -0.02 -0.17 0.06 0.00 0.13 0.00 0.00 57.88 57.88 3npk h LEU 269 Cb 0.62 -0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 40.48 3npk h LEU 269 CO -0.15 0.74 0.55 0.00 -0.13 0.00 0.00 178.44 179.45 3npk h ALA 270 N 1.08 1.22 0.00 1.25 0.00 0.16 0.67 119.26 123.64 3npk h ALA 270 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3npk h ALA 270 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3npk h ALA 270 CO -0.02 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.58 3npk n GLN 271 N -4.60 0.72 0.00 0.00 6.02 -0.57 -1.29 117.38 117.65 3npk n GLN 271 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3npk n GLN 271 Cb 0.18 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.30 3npk n GLN 271 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3npk n ILE 273 N 0.97 0.00 0.00 5.09 5.41 0.23 -1.95 119.36 129.11 3npk n ILE 273 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.88 3npk n ILE 273 Cb 0.36 0.00 0.57 0.00 -0.71 0.00 0.00 39.64 39.86 3npk n ILE 273 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3npk h GLN 274 N 0.00 0.23 0.02 0.38 4.20 -1.43 -2.56 115.11 115.96 3npk h GLN 274 Ca 0.00 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 3npk h GLN 274 Cb 0.00 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 27.75 3npk h GLN 274 CO 0.00 0.15 -1.07 -0.91 -0.67 0.00 0.00 178.83 176.33 3npk h ASN 275 N 0.24 0.87 0.39 1.46 -0.26 -1.67 -3.27 115.58 113.34 3npk h ASN 275 Ca 0.21 -0.72 -0.08 0.00 -0.56 0.00 0.00 56.30 55.15 3npk h ASN 275 Cb 0.53 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 3npk h ASN 275 CO -0.04 1.52 -0.40 -0.07 -1.06 0.00 0.00 177.43 177.38 3npk h LEU 276 N 0.36 0.01 -1.21 1.61 3.38 -1.76 0.10 115.31 117.80 3npk h LEU 276 Ca -0.14 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3npk h LEU 276 Cb 1.73 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 3npk h LEU 276 CO 0.21 0.40 -0.29 0.16 0.09 0.00 0.00 178.44 179.01 3npk h ILE 277 N 0.01 0.80 0.00 1.22 3.07 -1.62 -3.50 117.51 117.49 3npk h ILE 277 Ca -0.00 -1.21 0.00 0.00 1.55 0.00 0.00 64.86 65.20 3npk h ILE 277 Cb 0.70 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 3npk h ILE 277 CO 0.05 0.29 0.00 0.00 -1.05 0.00 0.00 178.15 177.44