#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw n GLY 2 N 0.00 -1.01 0.17 3.03 0.00 -1.26 -4.78 105.19 101.34 2kpw n GLY 2 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 2kpw n GLY 2 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kpw h HIS 3 N 0.86 -0.31 0.00 1.61 2.76 -2.05 -2.10 115.15 115.92 2kpw h HIS 3 Ca 0.00 -0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 57.98 2kpw h HIS 3 Cb 0.78 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 2kpw h HIS 3 CO 0.09 -0.03 -1.57 1.58 -1.30 0.00 0.00 177.93 176.70 2kpw n HIS 4 N -5.13 0.81 0.30 5.26 -0.00 -1.26 -4.07 115.22 111.13 2kpw n HIS 4 Ca -0.09 0.27 0.19 0.00 0.46 0.00 0.00 57.72 58.55 2kpw n HIS 4 Cb 0.23 -1.04 0.93 0.00 -0.12 0.00 0.00 29.99 29.99 2kpw n HIS 4 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kpw h HIS 5 N 0.00 0.00 -3.57 1.57 6.17 -1.93 -3.40 115.15 113.99 2kpw h HIS 5 Ca -0.20 0.00 -0.67 0.00 0.71 0.00 0.00 60.37 60.22 2kpw h HIS 5 Cb 1.62 0.00 -0.22 0.00 2.52 0.00 0.00 27.41 31.33 2kpw h HIS 5 CO 0.00 0.01 -0.72 -1.01 0.71 0.00 0.00 177.93 176.92 2kpw s HIS 6 N -3.94 2.88 -0.33 5.26 4.02 -0.79 -5.04 115.29 117.35 2kpw s HIS 6 Ca -0.02 -0.25 0.03 0.00 1.02 0.00 0.00 55.06 55.84 2kpw s HIS 6 Cb 0.11 -1.78 0.16 0.00 -1.02 0.00 0.00 32.58 30.05 2kpw s HIS 6 CO 0.49 0.09 0.43 -3.38 1.02 0.00 0.00 174.74 173.39 2kpw s HIS 7 N -0.26 -0.89 -0.12 1.40 -3.43 -1.26 -4.84 115.29 105.88 2kpw s HIS 7 Ca 0.03 -0.04 -0.05 0.00 -0.80 0.00 0.00 55.06 54.20 2kpw s HIS 7 Cb -0.13 -0.17 0.06 0.00 -1.43 0.00 0.00 32.58 30.91 2kpw s HIS 7 CO 0.03 -1.01 0.26 -1.58 -2.00 0.00 0.00 174.74 170.44 2kpw s HIS 8 N 2.12 -0.40 0.77 0.38 5.65 -1.26 -5.17 115.29 117.38 2kpw s HIS 8 Ca 0.13 0.93 -0.03 0.00 0.25 0.00 0.00 55.06 56.34 2kpw s HIS 8 Cb -0.12 -0.03 0.16 0.00 -1.18 0.00 0.00 32.58 31.41 2kpw s HIS 8 CO -0.19 -0.33 1.06 -1.13 -0.65 0.00 0.00 174.74 173.50 2kpw n SER 9 N 5.15 1.11 -1.61 9.88 3.41 -1.26 -4.57 113.62 125.73 2kpw n SER 9 Ca -0.10 -2.01 -0.12 0.00 -0.26 0.00 0.00 58.87 56.38 2kpw n SER 9 Cb 0.50 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 2kpw n SER 9 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2kpw n HIS 10 N -3.04 -0.88 -2.65 7.33 -0.00 -1.26 -4.97 115.22 109.74 2kpw n HIS 10 Ca 0.16 0.18 -0.42 0.00 -0.00 0.00 0.00 57.72 57.64 2kpw n HIS 10 Cb 0.59 -2.84 -0.03 0.00 -0.00 0.00 0.00 29.99 27.70 2kpw n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2kpw s MET 11 N -4.94 3.47 -0.28 -0.41 1.00 -1.26 -4.87 119.30 112.01 2kpw s MET 11 Ca 0.10 -1.04 0.02 0.00 0.00 0.00 0.00 55.69 54.76 2kpw s MET 11 Cb -0.04 -4.95 0.35 0.00 0.00 0.00 0.00 34.83 30.19 2kpw s MET 11 CO 0.13 -2.08 1.63 0.25 0.00 0.00 0.00 175.02 174.94 2kpw n THR 12 N 6.45 2.40 -1.58 2.05 -2.24 -1.26 -4.93 114.28 115.18 2kpw n THR 12 Ca 0.22 -1.26 -0.16 0.00 -2.27 0.00 0.00 64.05 60.58 2kpw n THR 12 Cb 0.50 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.83 2kpw n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kpw s GLY 13 N -0.28 -0.76 -0.56 3.38 0.00 -1.26 -4.52 107.32 103.32 2kpw s GLY 13 Ca 0.33 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 44.25 2kpw s GLY 13 CO 0.05 4.21 0.42 -1.31 0.00 0.00 0.00 173.10 176.47 2kpw s ASN 14 N 10.98 5.73 -0.08 1.64 0.01 -1.26 -5.08 114.94 126.88 2kpw s ASN 14 Ca 0.93 -2.25 -0.02 0.00 -0.71 0.00 0.00 52.86 50.81 2kpw s ASN 14 Cb -0.13 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.50 2kpw s ASN 14 CO 0.10 -0.60 0.01 -0.69 -1.51 0.00 0.00 177.10 174.42 2kpw s VAL 15 N 0.85 4.40 0.14 1.60 1.01 -1.26 -0.80 120.40 126.33 2kpw s VAL 15 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2kpw s VAL 15 Cb -0.22 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2kpw s VAL 15 CO -0.03 0.58 0.02 0.00 0.00 0.00 0.00 175.10 175.67 2kpw s ILE 17 N -3.86 4.90 -0.02 0.00 1.09 -1.26 0.24 121.20 122.28 2kpw s ILE 17 Ca 0.22 1.29 -0.26 0.00 -1.10 0.00 0.00 60.65 60.80 2kpw s ILE 17 Cb 0.07 -4.04 -0.20 0.00 -1.06 0.00 0.00 42.46 37.23 2kpw s ILE 17 CO 0.01 -0.06 1.26 -0.08 -0.10 0.00 0.00 174.94 175.97 2kpw h GLU 18 N 7.86 -0.04 -1.56 2.79 4.81 -1.03 -3.47 114.58 123.94 2kpw h GLU 18 Ca -0.25 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2kpw h GLU 18 Cb 1.11 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 30.27 2kpw h GLU 18 CO 0.83 0.43 0.65 -2.00 -0.73 0.00 0.00 179.01 178.18 2kpw s GLU 19 N -4.28 0.49 -0.12 1.92 2.56 -1.08 -5.05 118.70 113.14 2kpw s GLU 19 Ca -0.16 0.02 -0.03 0.00 0.00 0.00 0.00 54.97 54.81 2kpw s GLU 19 Cb 0.02 0.23 -0.03 0.00 2.00 0.00 0.00 34.13 36.34 2kpw s GLU 19 CO 0.66 -0.17 -0.01 0.42 -0.56 0.00 0.00 175.26 175.60 2kpw s ILE 20 N -1.55 4.18 0.11 -3.70 1.01 -1.26 -1.73 121.20 118.26 2kpw s ILE 20 Ca 0.03 -0.27 -0.31 0.00 0.00 0.00 0.00 60.65 60.09 2kpw s ILE 20 Cb -0.01 -2.80 -0.08 0.00 0.01 0.00 0.00 42.46 39.58 2kpw s ILE 20 CO -0.02 0.54 1.35 -0.62 0.00 0.00 0.00 174.94 176.19 2kpw s ASP 21 N -0.23 6.87 0.36 3.58 2.15 -0.82 -4.93 116.67 123.65 2kpw s ASP 21 Ca 0.05 2.28 0.15 0.00 0.43 0.00 0.00 52.55 55.46 2kpw s ASP 21 Cb -0.13 -2.59 0.67 0.00 -0.30 0.00 0.00 42.92 40.58 2kpw s ASP 21 CO 0.02 -0.61 1.76 1.62 -0.17 0.00 0.00 175.17 177.78 2kpw h VAL 22 N 4.27 1.13 -0.08 1.11 3.04 -1.99 -3.21 116.25 120.52 2kpw h VAL 22 Ca -0.42 -1.53 -0.12 0.00 -1.01 0.00 0.00 66.70 63.62 2kpw h VAL 22 Cb 1.21 1.87 0.01 0.00 -2.01 0.00 0.00 31.29 32.36 2kpw h VAL 22 CO 0.85 0.41 -0.42 -0.78 -1.01 0.00 0.00 177.57 176.63 2kpw h ASP 23 N 0.00 0.50 0.00 3.17 1.82 -1.91 -3.47 116.42 116.53 2kpw h ASP 23 Ca -0.00 -0.65 0.00 0.00 -0.39 0.00 0.00 57.03 55.98 2kpw h ASP 23 Cb 0.83 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.69 2kpw h ASP 23 CO 0.05 1.07 0.00 0.61 -1.61 0.00 0.00 179.24 179.37 2kpw n GLY 24 N 0.73 1.20 0.10 -0.78 0.00 -1.21 -3.90 105.19 101.32 2kpw n GLY 24 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2kpw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpw n LYS 25 N -0.03 0.54 -3.51 1.61 5.02 -1.26 -1.97 118.16 118.55 2kpw n LYS 25 Ca 0.00 0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 2kpw n LYS 25 Cb 0.00 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2kpw n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kpw s PHE 26 N -2.40 -0.40 -0.09 2.13 -0.71 -1.26 -0.42 117.98 114.83 2kpw s PHE 26 Ca -0.26 0.15 -0.00 0.00 -1.04 0.00 0.00 56.93 55.77 2kpw s PHE 26 Cb 0.07 0.46 0.02 0.00 -1.21 0.00 0.00 43.02 42.36 2kpw s PHE 26 CO 0.47 -0.81 -0.06 0.42 -1.34 0.00 0.00 175.22 173.89 2kpw s ILE 27 N -3.78 0.81 -0.26 -4.49 1.01 0.19 -1.94 121.20 112.74 2kpw s ILE 27 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 2kpw s ILE 27 Cb -0.00 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 2kpw s ILE 27 CO -0.12 0.32 0.19 -0.60 0.00 0.00 0.00 174.94 174.73 2kpw s ARG 28 N 1.55 4.01 0.54 2.79 3.52 -0.71 -0.21 118.95 130.44 2kpw s ARG 28 Ca 0.01 -0.27 0.06 0.00 -0.13 0.00 0.00 55.73 55.39 2kpw s ARG 28 Cb -0.13 -3.60 0.06 0.00 -1.56 0.00 0.00 34.95 29.71 2kpw s ARG 28 CO -0.05 -0.07 0.74 -0.51 -0.81 0.00 0.00 175.30 174.61 2kpw s LEU 29 N 1.44 3.31 -0.19 -0.88 1.02 0.27 -0.48 118.68 123.16 2kpw s LEU 29 Ca 0.08 -0.45 -0.12 0.00 0.02 0.00 0.00 54.13 53.66 2kpw s LEU 29 Cb -0.15 -2.30 0.06 0.00 0.02 0.00 0.00 46.19 43.83 2kpw s LEU 29 CO 0.08 -1.19 0.48 -0.75 0.02 0.00 0.00 176.35 174.99 2kpw s LYS 30 N -4.65 0.49 -0.56 1.70 2.20 0.14 -1.12 119.74 117.94 2kpw s LYS 30 Ca 0.59 0.86 -0.22 0.00 -0.36 0.00 0.00 55.97 56.85 2kpw s LYS 30 Cb -0.08 0.06 0.06 0.00 -1.51 0.00 0.00 37.83 36.35 2kpw s LYS 30 CO 0.38 -0.14 0.82 1.21 -0.36 0.00 0.00 175.35 177.26 2kpw s ASN 31 N 1.27 6.26 -0.90 1.43 2.47 -1.03 -0.84 114.94 123.61 2kpw s ASN 31 Ca -0.08 -0.72 -0.07 0.00 0.42 0.00 0.00 52.86 52.41 2kpw s ASN 31 Cb -0.07 -2.37 0.23 0.00 -1.45 0.00 0.00 41.25 37.58 2kpw s ASN 31 CO -0.12 -1.14 0.81 0.28 -3.72 0.00 0.00 177.10 173.21 2kpw s THR 32 N 3.43 4.97 0.29 -5.21 -1.32 0.02 -0.39 115.64 117.44 2kpw s THR 32 Ca 0.23 -3.30 0.05 0.00 -1.21 0.00 0.00 61.69 57.46 2kpw s THR 32 Cb -0.16 -4.07 -0.02 0.00 -1.51 0.00 0.00 72.50 66.74 2kpw s THR 32 CO 0.14 -1.07 0.19 -1.54 -2.21 0.00 0.00 174.62 170.13 2kpw n SER 33 N 2.98 0.10 0.15 8.08 3.41 -1.26 -4.51 113.62 122.57 2kpw n SER 33 Ca 0.18 -2.76 0.07 0.00 -0.26 0.00 0.00 58.87 56.10 2kpw n SER 33 Cb 0.40 1.15 0.06 0.00 -0.26 0.00 0.00 64.21 65.56 2kpw n SER 33 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2kpw h GLU 34 N 0.00 0.00 -3.53 4.33 5.08 -1.96 -3.44 114.58 115.06 2kpw h GLU 34 Ca -0.22 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 2kpw h GLU 34 Cb 0.97 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.05 2kpw h GLU 34 CO 0.33 0.22 -0.38 -1.14 -1.00 0.00 0.00 179.01 177.03 2kpw s GLN 35 N -3.10 0.69 0.05 2.33 0.74 -1.26 -4.99 119.66 114.11 2kpw s GLN 35 Ca 0.04 -0.61 -0.36 0.00 0.05 0.00 0.00 55.36 54.48 2kpw s GLN 35 Cb 0.07 0.29 -0.16 0.00 1.10 0.00 0.00 33.01 34.31 2kpw s GLN 35 CO 0.73 -0.20 1.48 -0.25 -0.55 0.00 0.00 175.29 176.50 2kpw n ASP 36 N 0.71 2.21 -4.09 6.67 9.92 -1.26 -4.32 116.55 126.39 2kpw n ASP 36 Ca -0.19 1.10 -0.32 0.00 -0.53 0.00 0.00 54.79 54.84 2kpw n ASP 36 Cb 0.59 -1.25 -0.16 0.00 -0.64 0.00 0.00 41.12 39.65 2kpw n ASP 36 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kpw s GLN 37 N 1.19 2.80 0.00 -1.24 -1.52 -0.57 -4.95 119.66 115.38 2kpw s GLN 37 Ca 0.85 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 53.48 2kpw s GLN 37 Cb -0.89 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 2kpw s GLN 37 CO 0.47 -0.23 0.74 -2.30 -0.25 0.00 0.00 175.29 173.72 2kpw n PRO 38 N 4.65 0.74 0.00 2.91 -0.02 -1.26 -0.51 135.00 141.51 2kpw n PRO 38 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2kpw n PRO 38 Cb 0.50 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2kpw n PRO 38 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2kpw n MET 39 N 0.63 0.00 0.00 -0.52 0.00 -1.26 -4.18 117.12 111.79 2kpw n MET 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2kpw n MET 39 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.59 2kpw n MET 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kpw n GLY 40 N 0.00 1.99 0.00 -5.12 0.00 -1.26 -4.66 105.19 96.14 2kpw n GLY 40 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2kpw n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpw n GLY 41 N 0.00 -1.43 4.01 -0.02 0.00 -1.26 -2.36 105.19 104.13 2kpw n GLY 41 Ca 0.00 0.77 -0.19 0.00 0.00 0.00 0.00 46.02 46.60 2kpw n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpw s TRP 42 N 0.00 2.04 -0.23 1.61 0.52 -1.26 -4.70 118.94 116.93 2kpw s TRP 42 Ca 0.00 -0.59 0.01 0.00 0.02 0.00 0.00 56.10 55.54 2kpw s TRP 42 Cb 0.00 -2.27 0.05 0.00 -1.15 0.00 0.00 33.47 30.11 2kpw s TRP 42 CO 0.00 -0.79 -0.08 -2.00 0.02 0.00 0.00 176.95 174.10 2kpw s GLU 43 N -4.50 1.85 -0.26 4.98 2.12 -0.29 -1.26 118.70 121.34 2kpw s GLU 43 Ca 0.57 -1.01 -0.09 0.00 0.36 0.00 0.00 54.97 54.80 2kpw s GLU 43 Cb -0.07 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 2kpw s GLU 43 CO 0.35 -0.54 0.12 1.41 -0.54 0.00 0.00 175.26 176.06 2kpw s MET 44 N 1.34 3.83 0.07 4.30 -2.45 -0.43 -0.67 119.30 125.30 2kpw s MET 44 Ca -0.05 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.02 2kpw s MET 44 Cb -0.18 -3.47 -0.04 0.00 1.25 0.00 0.00 34.83 32.39 2kpw s MET 44 CO -0.07 -0.13 0.11 0.42 1.05 0.00 0.00 175.02 176.40 2kpw s ILE 45 N 1.53 4.72 -0.24 10.11 1.01 0.00 -0.38 121.20 137.95 2kpw s ILE 45 Ca 0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2kpw s ILE 45 Cb -0.15 -3.27 0.08 0.00 0.01 0.00 0.00 42.46 39.12 2kpw s ILE 45 CO 0.06 0.15 0.07 -0.60 0.00 0.00 0.00 174.94 174.62 2kpw s ARG 46 N -2.36 0.55 -0.27 2.79 3.52 0.89 -0.13 118.95 123.94 2kpw s ARG 46 Ca 0.30 -0.59 -0.22 0.00 -0.13 0.00 0.00 55.73 55.09 2kpw s ARG 46 Cb -0.12 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.36 2kpw s ARG 46 CO 0.23 -0.80 0.69 0.15 -0.81 0.00 0.00 175.30 174.75 2kpw s LYS 47 N 1.86 4.05 -0.29 5.12 1.02 0.09 -2.28 119.74 129.30 2kpw s LYS 47 Ca 0.04 0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.63 2kpw s LYS 47 Cb -0.17 -3.68 0.18 0.00 -0.52 0.00 0.00 37.83 33.64 2kpw s LYS 47 CO -0.18 -0.51 0.48 -1.50 -0.92 0.00 0.00 175.35 172.71 2kpw s ILE 48 N 2.67 -0.77 -0.25 2.17 2.07 -0.98 -0.40 121.20 125.71 2kpw s ILE 48 Ca 0.29 -0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 2kpw s ILE 48 Cb -0.15 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.47 2kpw s ILE 48 CO 0.10 -0.18 0.09 0.61 -1.91 0.00 0.00 174.94 173.65 2kpw n GLY 49 N 5.37 -4.47 5.00 1.50 0.00 -1.26 -4.13 105.19 107.20 2kpw n GLY 49 Ca 0.02 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2kpw n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kpw n ASP 50 N 1.12 0.00 -4.89 1.61 2.03 -1.26 -4.89 116.55 110.27 2kpw n ASP 50 Ca -0.15 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.95 2kpw n ASP 50 Cb 0.25 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kpw s THR 51 N 0.00 4.05 -0.23 5.18 -1.32 -1.26 -5.11 115.64 116.95 2kpw s THR 51 Ca 0.00 -1.25 -0.04 0.00 -1.21 0.00 0.00 61.69 59.19 2kpw s THR 51 Cb 0.00 -3.36 0.08 0.00 -1.51 0.00 0.00 72.50 67.71 2kpw s THR 51 CO 0.00 -0.23 0.09 -0.94 -2.21 0.00 0.00 174.62 171.34 2kpw s SER 52 N -4.00 3.06 0.13 8.08 1.04 -1.26 -2.31 113.70 118.44 2kpw s SER 52 Ca 0.39 -1.00 -0.11 0.00 0.48 0.00 0.00 55.95 55.71 2kpw s SER 52 Cb -0.07 -0.42 -0.06 0.00 0.10 0.00 0.00 66.02 65.56 2kpw s SER 52 CO 0.28 -0.38 0.48 0.54 0.98 0.00 0.00 173.24 175.13 2kpw s VAL 53 N 2.01 4.99 0.24 5.02 0.11 -0.97 -4.80 120.40 126.99 2kpw s VAL 53 Ca 0.05 0.56 0.10 0.00 -2.93 0.00 0.00 61.98 59.76 2kpw s VAL 53 Cb -0.16 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 2kpw s VAL 53 CO -0.20 0.20 -0.18 -0.94 -3.33 0.00 0.00 175.10 170.64 2kpw s SER 54 N -1.89 3.11 -0.02 3.54 1.04 -1.26 -0.07 113.70 118.15 2kpw s SER 54 Ca 0.38 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2kpw s SER 54 Cb -0.14 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.78 2kpw s SER 54 CO 0.19 -0.05 0.01 -0.47 0.98 0.00 0.00 173.24 173.90 2kpw s TYR 55 N -2.62 0.15 -0.19 5.02 5.04 0.49 -4.94 117.35 120.30 2kpw s TYR 55 Ca 0.25 0.04 -0.09 0.00 -2.44 0.00 0.00 57.07 54.83 2kpw s TYR 55 Cb -0.04 -0.23 -0.05 0.00 0.35 0.00 0.00 41.96 41.99 2kpw s TYR 55 CO 0.11 -0.07 0.11 0.21 -1.34 0.00 0.00 175.55 174.57 2kpw s LYS 56 N 0.66 4.12 0.69 4.97 2.20 -1.26 -1.31 119.74 129.82 2kpw s LYS 56 Ca -0.06 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.25 2kpw s LYS 56 Cb -0.09 -3.35 0.08 0.00 -1.51 0.00 0.00 37.83 32.96 2kpw s LYS 56 CO -0.02 0.29 0.97 0.71 -0.36 0.00 0.00 175.35 176.95 2kpw s TYR 57 N 0.36 2.41 0.03 4.03 1.51 -0.39 -4.93 117.35 120.37 2kpw s TYR 57 Ca 0.06 0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 56.09 2kpw s TYR 57 Cb -0.11 -3.11 0.02 0.00 -0.11 0.00 0.00 41.96 38.65 2kpw s TYR 57 CO -0.01 -1.46 0.30 -0.08 -1.11 0.00 0.00 175.55 173.18 2kpw s THR 58 N -3.15 0.08 -1.40 -0.71 -1.32 -1.26 -4.17 115.64 103.71 2kpw s THR 58 Ca 0.62 -0.65 -0.09 0.00 -1.21 0.00 0.00 61.69 60.37 2kpw s THR 58 Cb -0.08 -0.87 0.08 0.00 -1.51 0.00 0.00 72.50 70.11 2kpw s THR 58 CO 0.44 -0.36 2.35 -0.24 -2.21 0.00 0.00 174.62 174.60 2kpw n SER 59 N 0.73 6.78 -0.55 8.08 2.88 -1.00 -4.26 113.62 126.29 2kpw n SER 59 Ca -0.19 -2.97 0.08 0.00 -1.33 0.00 0.00 58.87 54.46 2kpw n SER 59 Cb 0.59 -1.48 0.04 0.00 -0.75 0.00 0.00 64.21 62.61 2kpw n SER 59 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kpw n ARG 60 N 3.35 1.40 -3.64 -1.46 1.85 -1.26 -4.90 116.66 112.00 2kpw n ARG 60 Ca 0.58 -1.24 -0.15 0.00 -1.00 0.00 0.00 57.85 56.04 2kpw n ARG 60 Cb 0.30 -1.29 -0.07 0.00 -1.05 0.00 0.00 32.46 30.34 2kpw n ARG 60 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2kpw s TYR 61 N -1.49 -0.45 -0.53 2.89 1.13 -1.26 -4.72 117.35 112.91 2kpw s TYR 61 Ca 0.17 0.82 -0.18 0.00 -1.41 0.00 0.00 57.07 56.47 2kpw s TYR 61 Cb 0.13 0.25 0.09 0.00 -1.10 0.00 0.00 41.96 41.33 2kpw s TYR 61 CO 0.26 -0.47 0.57 0.08 -2.51 0.00 0.00 175.55 173.48 2kpw s VAL 62 N -1.04 5.02 -0.51 -3.49 1.01 -1.26 -4.01 120.40 116.12 2kpw s VAL 62 Ca -0.11 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 2kpw s VAL 62 Cb -0.03 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 32.05 2kpw s VAL 62 CO 0.06 -0.87 1.13 -0.22 0.00 0.00 0.00 175.10 175.19 2kpw s LEU 63 N 2.19 3.64 0.36 3.92 1.98 0.33 -4.83 118.68 126.27 2kpw s LEU 63 Ca 0.09 0.30 -0.28 0.00 -2.89 0.00 0.00 54.13 51.35 2kpw s LEU 63 Cb -0.24 -3.39 -0.10 0.00 0.66 0.00 0.00 46.19 43.12 2kpw s LEU 63 CO 0.07 -1.30 1.37 -0.54 -1.89 0.00 0.00 176.35 174.06 2kpw s LYS 64 N 4.51 4.19 0.15 1.98 1.02 -1.26 -1.51 119.74 128.82 2kpw s LYS 64 Ca 0.45 2.33 -0.31 0.00 0.02 0.00 0.00 55.97 58.46 2kpw s LYS 64 Cb -0.08 -2.97 -0.11 0.00 -0.52 0.00 0.00 37.83 34.15 2kpw s LYS 64 CO 0.29 -0.37 1.75 0.00 -0.92 0.00 0.00 175.35 176.10 2kpw s ALA 65 N -1.15 3.81 0.00 5.17 0.00 -1.26 -1.78 121.76 126.55 2kpw s ALA 65 Ca 0.52 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.94 2kpw s ALA 65 Cb -0.42 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2kpw s ALA 65 CO 0.56 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2kpw n GLY 66 N 4.08 1.88 3.98 0.00 0.00 0.48 -4.91 105.19 110.70 2kpw n GLY 66 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2kpw n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kpw s GLN 67 N -0.85 2.80 0.46 1.61 1.11 -0.73 -4.94 119.66 119.11 2kpw s GLN 67 Ca 0.00 -0.85 0.04 0.00 0.01 0.00 0.00 55.36 54.57 2kpw s GLN 67 Cb 0.00 -2.61 -0.04 0.00 -1.01 0.00 0.00 33.01 29.35 2kpw s GLN 67 CO 0.00 -0.41 0.03 0.95 0.01 0.00 0.00 175.29 175.87 2kpw s THR 68 N -2.55 1.63 -0.10 -0.19 -4.23 -1.26 -2.48 115.64 106.47 2kpw s THR 68 Ca 0.53 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2kpw s THR 68 Cb -0.10 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.19 2kpw s THR 68 CO 0.36 0.00 0.22 0.54 -0.54 0.00 0.00 174.62 175.20 2kpw s VAL 69 N -2.78 -0.11 -0.25 2.29 0.11 -0.27 -4.96 120.40 114.43 2kpw s VAL 69 Ca 0.22 0.19 -0.15 0.00 -2.93 0.00 0.00 61.98 59.31 2kpw s VAL 69 Cb 0.05 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2kpw s VAL 69 CO 0.12 0.08 0.39 -0.89 -3.33 0.00 0.00 175.10 171.47 2kpw s THR 70 N 1.48 5.18 -0.69 5.04 2.01 -1.26 -0.57 115.64 126.83 2kpw s THR 70 Ca -0.07 0.64 -0.19 0.00 0.31 0.00 0.00 61.69 62.38 2kpw s THR 70 Cb -0.11 -3.72 0.11 0.00 0.01 0.00 0.00 72.50 68.79 2kpw s THR 70 CO -0.08 0.18 0.85 -0.63 -0.69 0.00 0.00 174.62 174.26 2kpw s ILE 71 N 1.82 4.74 0.80 1.82 -1.09 0.70 -1.33 121.20 128.66 2kpw s ILE 71 Ca 0.17 -1.05 -0.12 0.00 -2.23 0.00 0.00 60.65 57.42 2kpw s ILE 71 Cb -0.15 -4.59 0.07 0.00 -1.58 0.00 0.00 42.46 36.21 2kpw s ILE 71 CO 0.09 -1.27 1.16 0.26 -1.23 0.00 0.00 174.94 173.94 2kpw s TRP 72 N 2.84 2.96 0.52 3.97 0.52 0.44 -0.64 118.94 129.55 2kpw s TRP 72 Ca 0.18 0.84 -0.04 0.00 0.02 0.00 0.00 56.10 57.10 2kpw s TRP 72 Cb -0.18 -3.39 -0.01 0.00 -1.15 0.00 0.00 33.47 28.74 2kpw s TRP 72 CO 0.03 -1.74 0.81 0.00 0.02 0.00 0.00 176.95 176.07 2kpw s ALA 73 N -3.48 3.43 0.52 0.98 0.00 0.44 0.20 121.76 123.85 2kpw s ALA 73 Ca 0.61 -0.69 0.27 0.00 0.00 0.00 0.00 51.96 52.15 2kpw s ALA 73 Cb -0.12 -2.50 1.39 0.00 0.00 0.00 0.00 23.12 21.89 2kpw s ALA 73 CO 0.50 -0.53 1.94 0.00 0.00 0.00 0.00 175.76 177.68 2kpw h ALA 74 N 0.11 2.59 -0.52 0.00 0.00 -1.10 -0.80 119.26 119.53 2kpw h ALA 74 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kpw h ALA 74 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2kpw h ALA 74 CO 0.61 -0.79 0.00 0.09 0.00 0.00 0.00 179.25 179.15 2kpw n ASN 75 N -4.35 5.22 -0.16 0.00 3.02 -1.26 -4.62 115.26 113.11 2kpw n ASN 75 Ca 0.14 -2.81 -0.02 0.00 -0.03 0.00 0.00 54.58 51.86 2kpw n ASN 75 Cb 0.74 -0.66 0.06 0.00 -0.61 0.00 0.00 39.78 39.32 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kpw h ALA 76 N 3.83 0.53 0.00 5.41 0.00 -1.49 -3.46 119.26 124.08 2kpw h ALA 76 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kpw h ALA 76 Cb 1.81 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2kpw h ALA 76 CO 0.43 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2kpw n GLY 77 N -1.29 0.74 0.00 0.00 0.00 -1.26 -5.06 105.19 98.32 2kpw n GLY 77 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kpw n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kpw n VAL 78 N -2.35 0.00 -1.59 1.61 0.24 -1.26 -5.00 118.33 109.98 2kpw n VAL 78 Ca 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 64.34 61.79 2kpw n VAL 78 Cb 0.00 -1.50 -0.06 0.00 -1.47 0.00 0.00 33.84 30.81 2kpw n VAL 78 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kpw n THR 79 N -0.66 0.06 -0.11 3.34 -1.04 -1.26 -4.85 114.28 109.76 2kpw n THR 79 Ca 0.00 -0.01 0.16 0.00 -2.04 0.00 0.00 64.05 62.15 2kpw n THR 79 Cb 0.00 -0.87 0.54 0.00 -1.82 0.00 0.00 70.33 68.19 2kpw n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kpw h ALA 80 N 4.57 2.17 -2.21 2.41 0.00 -1.95 -3.45 119.26 120.80 2kpw h ALA 80 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2kpw h ALA 80 Cb 1.33 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.90 2kpw h ALA 80 CO 0.78 -0.35 0.16 0.45 0.00 0.00 0.00 179.25 180.29 2kpw s SER 81 N -6.09 -0.61 1.08 0.00 0.15 -1.26 -4.80 113.70 102.16 2kpw s SER 81 Ca -0.07 0.54 -0.21 0.00 0.70 0.00 0.00 55.95 56.91 2kpw s SER 81 Cb 0.20 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 2kpw s SER 81 CO 0.75 -0.67 -0.37 -0.81 1.20 0.00 0.00 173.24 173.35 2kpw n PRO 82 N 0.69 -1.28 0.00 5.44 -0.04 -1.13 -4.70 135.00 133.97 2kpw n PRO 82 Ca -0.19 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2kpw n PRO 82 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2kpw n PRO 82 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2kpw n PRO 83 N -0.89 0.00 0.00 0.54 -0.02 -1.26 -5.00 135.00 128.37 2kpw n PRO 83 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kpw n PRO 83 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2kpw n PRO 83 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kpw n THR 84 N -0.40 0.00 -2.36 3.45 -2.24 -1.26 -4.81 114.28 106.66 2kpw n THR 84 Ca 0.00 0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2kpw n THR 84 Cb 0.00 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 2kpw n THR 84 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kpw s ASP 85 N -1.07 6.94 -0.38 3.42 1.11 -1.26 -4.67 116.67 120.76 2kpw s ASP 85 Ca 0.00 1.85 -0.21 0.00 0.18 0.00 0.00 52.55 54.38 2kpw s ASP 85 Cb 0.00 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.45 2kpw s ASP 85 CO 0.00 -0.71 0.64 -0.76 1.18 0.00 0.00 175.17 175.52 2kpw s LEU 86 N 2.94 4.32 -0.26 1.23 1.43 -0.44 -2.85 118.68 125.05 2kpw s LEU 86 Ca 0.58 -0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 53.44 2kpw s LEU 86 Cb -0.25 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 2kpw s LEU 86 CO 0.20 -0.65 0.79 -0.63 0.23 0.00 0.00 176.35 176.29 2kpw s ILE 87 N 2.75 4.84 -1.08 -0.59 1.09 -1.26 -0.42 121.20 126.53 2kpw s ILE 87 Ca 0.24 1.39 -0.23 0.00 -1.10 0.00 0.00 60.65 60.95 2kpw s ILE 87 Cb -0.14 -4.10 -0.11 0.00 -1.06 0.00 0.00 42.46 37.04 2kpw s ILE 87 CO 0.16 -0.12 1.93 1.87 -0.10 0.00 0.00 174.94 178.69 2kpw n TRP 88 N 6.03 2.47 0.79 3.97 -0.00 0.13 -4.77 117.44 126.07 2kpw n TRP 88 Ca 0.04 -1.48 0.00 0.00 -0.00 0.00 0.00 57.50 56.06 2kpw n TRP 88 Cb 0.48 -2.41 0.00 0.00 -0.00 0.00 0.00 31.31 29.37 2kpw n TRP 88 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2kpw n LYS 89 N 8.02 0.79 0.00 5.87 5.02 -1.26 -2.51 118.16 134.10 2kpw n LYS 89 Ca 0.46 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.76 2kpw n LYS 89 Cb 0.45 -1.17 0.01 0.00 -0.02 0.00 0.00 35.03 34.30 2kpw n LYS 89 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kpw n ASN 90 N 0.49 0.99 -3.60 4.39 5.03 -1.26 -5.01 115.26 116.28 2kpw n ASN 90 Ca 0.00 -0.99 -0.16 0.00 0.87 0.00 0.00 54.58 54.30 2kpw n ASN 90 Cb 0.35 0.19 -0.07 0.00 -1.02 0.00 0.00 39.78 39.23 2kpw n ASN 90 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2kpw s GLN 91 N -0.38 0.89 0.00 3.52 0.74 -1.04 -5.03 119.66 118.36 2kpw s GLN 91 Ca 0.02 0.44 0.00 0.00 0.05 0.00 0.00 55.36 55.87 2kpw s GLN 91 Cb 0.02 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.55 2kpw s GLN 91 CO 0.04 -0.22 0.00 0.09 -0.55 0.00 0.00 175.29 174.65 2kpw n ASN 92 N 1.64 0.00 -4.77 6.67 4.13 -1.26 -1.44 115.26 120.22 2kpw n ASN 92 Ca -0.17 -0.76 -0.38 0.00 1.68 0.00 0.00 54.58 54.95 2kpw n ASN 92 Cb 0.56 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.79 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2kpw s SER 93 N -1.00 6.23 0.23 6.41 0.15 -1.26 -4.57 113.70 119.89 2kpw s SER 93 Ca 0.00 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.03 2kpw s SER 93 Cb 0.00 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2kpw s SER 93 CO 0.00 -0.88 0.01 -2.67 1.20 0.00 0.00 173.24 170.90 2kpw n TRP 94 N -0.30 0.46 0.00 3.44 2.14 -0.83 -5.07 117.44 117.28 2kpw n TRP 94 Ca 0.06 -1.18 0.00 0.00 2.07 0.00 0.00 57.50 58.46 2kpw n TRP 94 Cb 0.47 -0.13 0.00 0.00 -0.81 0.00 0.00 31.31 30.84 2kpw n TRP 94 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2kpw n GLY 95 N 1.95 0.09 0.23 -1.67 0.00 -1.25 -3.80 105.19 100.74 2kpw n GLY 95 Ca -0.09 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2kpw n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpw h THR 96 N 0.00 0.14 0.00 2.61 1.03 -1.93 -3.48 112.91 111.29 2kpw h THR 96 Ca 0.00 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.39 2kpw h THR 96 Cb 0.00 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 2kpw h THR 96 CO 0.00 0.07 0.00 0.61 -0.01 0.00 0.00 175.52 176.19 2kpw n GLY 97 N 0.73 0.75 3.94 2.99 0.00 -1.26 -5.09 105.19 107.25 2kpw n GLY 97 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2kpw n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpw s GLU 98 N -0.78 1.87 0.40 1.61 0.41 -1.26 -5.05 118.70 115.91 2kpw s GLU 98 Ca 0.00 -0.42 -0.26 0.00 -0.41 0.00 0.00 54.97 53.88 2kpw s GLU 98 Cb 0.00 -2.15 -0.08 0.00 -1.78 0.00 0.00 34.13 30.12 2kpw s GLU 98 CO 0.00 -1.45 1.24 0.16 -0.49 0.00 0.00 175.26 174.72 2kpw s ASP 99 N -4.61 6.41 -0.03 -0.19 -4.77 -1.26 -5.00 116.67 107.22 2kpw s ASP 99 Ca 0.63 2.50 0.01 0.00 -3.30 0.00 0.00 52.55 52.40 2kpw s ASP 99 Cb -0.09 -2.63 0.01 0.00 -1.09 0.00 0.00 42.92 39.13 2kpw s ASP 99 CO 0.46 -0.77 -0.05 0.54 0.70 0.00 0.00 175.17 176.05 2kpw s VAL 100 N -1.33 0.55 -0.23 2.11 0.11 -1.26 -4.09 120.40 116.26 2kpw s VAL 100 Ca 0.57 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 2kpw s VAL 100 Cb -0.34 -0.54 0.05 0.00 -1.53 0.00 0.00 36.38 34.02 2kpw s VAL 100 CO 0.44 0.21 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.57 2kpw s LYS 101 N 0.59 1.98 -0.15 1.54 2.20 0.46 -3.95 119.74 122.41 2kpw s LYS 101 Ca -0.08 -1.05 -0.11 0.00 -0.36 0.00 0.00 55.97 54.37 2kpw s LYS 101 Cb -0.11 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.54 2kpw s LYS 101 CO 0.00 -0.52 0.22 0.54 -0.36 0.00 0.00 175.35 175.23 2kpw s VAL 102 N 1.30 5.35 -0.03 4.02 0.11 -0.14 -0.73 120.40 130.28 2kpw s VAL 102 Ca -0.05 0.40 0.04 0.00 -2.93 0.00 0.00 61.98 59.45 2kpw s VAL 102 Cb -0.18 -3.54 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 2kpw s VAL 102 CO -0.07 0.47 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.38 2kpw s ILE 103 N -0.03 1.36 -0.36 7.04 -1.09 0.82 -0.91 121.20 128.04 2kpw s ILE 103 Ca 0.14 -0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 57.81 2kpw s ILE 103 Cb -0.13 -1.17 0.06 0.00 -1.58 0.00 0.00 42.46 39.65 2kpw s ILE 103 CO 0.03 0.39 0.13 -0.76 -1.23 0.00 0.00 174.94 173.51 2kpw s LEU 104 N -0.06 4.55 0.38 2.97 1.43 0.04 -0.82 118.68 127.17 2kpw s LEU 104 Ca -0.01 -1.34 0.08 0.00 -1.03 0.00 0.00 54.13 51.83 2kpw s LEU 104 Cb -0.10 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 2kpw s LEU 104 CO 0.01 -0.39 -0.02 -0.54 0.23 0.00 0.00 176.35 175.65 2kpw s LYS 105 N 1.35 1.93 0.37 1.70 1.02 0.15 -1.57 119.74 124.70 2kpw s LYS 105 Ca 0.00 -2.00 0.02 0.00 0.02 0.00 0.00 55.97 54.01 2kpw s LYS 105 Cb -0.21 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 35.42 2kpw s LYS 105 CO 0.01 0.03 0.17 0.09 -0.92 0.00 0.00 175.35 174.73 2kpw n ASN 106 N -0.92 2.52 -0.34 2.83 4.13 0.18 -1.14 115.26 122.52 2kpw n ASN 106 Ca -0.05 -2.40 0.01 0.00 1.68 0.00 0.00 54.58 53.83 2kpw n ASN 106 Cb 0.65 0.08 0.18 0.00 -1.54 0.00 0.00 39.78 39.15 2kpw n ASN 106 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2kpw h SER 107 N 0.61 1.03 0.59 6.41 0.87 -1.88 -1.11 113.55 120.07 2kpw h SER 107 Ca -0.26 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2kpw h SER 107 Cb 0.88 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2kpw h SER 107 CO 0.42 0.71 0.00 0.00 -0.53 0.00 0.00 176.83 177.43 2kpw n GLN 108 N -4.44 0.09 -0.38 2.24 6.02 -1.26 -4.84 117.38 114.81 2kpw n GLN 108 Ca 0.13 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2kpw n GLN 108 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2kpw n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kpw n GLY 109 N 0.50 0.71 3.66 1.08 0.00 -0.42 -5.08 105.19 105.64 2kpw n GLY 109 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpw s GLU 110 N -0.62 0.36 -0.02 1.61 -1.05 -1.26 -4.77 118.70 112.96 2kpw s GLU 110 Ca 0.00 0.62 0.03 0.00 -0.15 0.00 0.00 54.97 55.47 2kpw s GLU 110 Cb 0.00 -1.72 -0.00 0.00 -0.44 0.00 0.00 34.13 31.97 2kpw s GLU 110 CO 0.00 -2.80 -0.10 -2.00 0.95 0.00 0.00 175.26 171.31 2kpw s GLU 111 N -4.88 0.99 -0.22 -4.83 2.12 -1.26 -0.64 118.70 109.97 2kpw s GLU 111 Ca 0.65 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.61 2kpw s GLU 111 Cb -0.19 -0.92 -0.19 0.00 0.26 0.00 0.00 34.13 33.08 2kpw s GLU 111 CO 0.58 0.15 -0.05 1.33 -0.54 0.00 0.00 175.26 176.74 2kpw n VAL 112 N 3.15 1.58 -3.73 3.70 0.24 -0.61 -4.98 118.33 117.69 2kpw n VAL 112 Ca -0.17 -0.55 -0.04 0.00 -2.04 0.00 0.00 64.34 61.55 2kpw n VAL 112 Cb 0.55 -1.59 -0.01 0.00 -1.47 0.00 0.00 33.84 31.31 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kpw s ALA 113 N -2.52 -1.68 0.20 2.33 0.00 -1.21 -5.01 121.76 113.87 2kpw s ALA 113 Ca -0.32 0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 2kpw s ALA 113 Cb 0.09 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.88 2kpw s ALA 113 CO 0.64 -1.01 0.64 1.14 0.00 0.00 0.00 175.76 177.17 2kpw s GLN 114 N -3.26 1.45 0.33 0.00 -2.07 -1.26 -0.78 119.66 114.08 2kpw s GLN 114 Ca 0.12 -0.65 -0.16 0.00 -1.82 0.00 0.00 55.36 52.86 2kpw s GLN 114 Cb -0.01 0.60 0.06 0.00 -1.09 0.00 0.00 33.01 32.56 2kpw s GLN 114 CO 0.01 -0.65 0.80 0.54 -1.32 0.00 0.00 175.29 174.68 2kpw n ARG 115 N -0.41 0.98 -1.86 9.60 1.74 -0.09 -4.91 116.66 121.71 2kpw n ARG 115 Ca -0.13 -1.96 -0.02 0.00 -0.77 0.00 0.00 57.85 54.98 2kpw n ARG 115 Cb 0.63 2.48 -0.00 0.00 -1.02 0.00 0.00 32.46 34.55 2kpw n ARG 115 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2kpw n SER 116 N -1.45 -0.13 -4.77 0.55 3.41 -1.26 -0.97 113.62 109.00 2kpw n SER 116 Ca -0.07 -1.20 -0.38 0.00 -0.26 0.00 0.00 58.87 56.96 2kpw n SER 116 Cb 0.56 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 2kpw n SER 116 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2kpw s THR 117 N -2.43 4.01 -0.67 6.66 -4.23 -1.25 -4.82 115.64 112.90 2kpw s THR 117 Ca 0.03 1.82 -0.27 0.00 -1.18 0.00 0.00 61.69 62.09 2kpw s THR 117 Cb -0.00 -4.08 0.02 0.00 1.34 0.00 0.00 72.50 69.79 2kpw s THR 117 CO 0.02 0.28 1.34 0.54 -0.54 0.00 0.00 174.62 176.26 2kpw s VAL 118 N -1.41 3.75 -0.49 2.29 0.11 -1.26 -4.98 120.40 118.40 2kpw s VAL 118 Ca 0.47 0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 59.88 2kpw s VAL 118 Cb -0.23 -4.73 0.08 0.00 -1.53 0.00 0.00 36.38 29.97 2kpw s VAL 118 CO 0.29 -1.58 0.45 0.72 -3.33 0.00 0.00 175.10 171.65 2kpw s PHE 119 N 5.94 3.21 -0.16 1.54 -0.71 -1.26 -5.05 117.98 121.49 2kpw s PHE 119 Ca 0.42 -0.94 -0.25 0.00 -1.04 0.00 0.00 56.93 55.12 2kpw s PHE 119 Cb -0.09 -3.34 -0.02 0.00 -1.21 0.00 0.00 43.02 38.36 2kpw s PHE 119 CO 0.19 -0.88 0.82 0.15 -1.34 0.00 0.00 175.22 174.16 2kpw s LYS 120 N 1.79 4.31 -1.03 1.99 1.02 -1.26 -4.98 119.74 121.58 2kpw s LYS 120 Ca 0.05 1.00 -0.24 0.00 0.02 0.00 0.00 55.97 56.81 2kpw s LYS 120 Cb -0.25 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 2kpw s LYS 120 CO 0.07 -0.30 1.91 0.99 -0.92 0.00 0.00 175.35 177.10 2kpw s THR 121 N 2.04 3.53 0.00 2.17 2.01 -1.26 -5.34 115.64 118.79 2kpw s THR 121 Ca 0.38 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.73 2kpw s THR 121 Cb -0.17 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.03 2kpw s THR 121 CO 0.13 -1.05 0.00 0.41 -0.69 0.00 0.00 174.62 173.42