#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkk s ASP -6 N 0.00 6.46 0.00 4.31 3.68 -1.26 -5.00 116.67 124.86 2pkk s ASP -6 Ca 0.00 0.55 0.24 0.00 2.13 0.00 0.00 52.55 55.47 2pkk s ASP -6 Cb 0.00 -2.17 0.23 0.00 -1.45 0.00 0.00 42.92 39.53 2pkk s ASP -6 CO 0.00 0.19 1.25 0.18 0.13 0.00 0.00 175.17 176.92 2pkk n LEU -5 N 3.07 2.16 -4.75 -1.34 4.77 -1.26 -4.96 117.00 114.68 2pkk n LEU -5 Ca -0.14 -0.75 -0.31 0.00 -0.03 0.00 0.00 56.01 54.78 2pkk n LEU -5 Cb 0.52 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.70 2pkk n LEU -5 CO 0.38 0.38 0.70 -0.47 -1.33 0.00 0.00 177.39 177.05 2pkk s TYR -4 N -2.30 2.43 0.55 -1.77 6.14 -1.26 -4.98 117.35 116.16 2pkk s TYR -4 Ca 0.24 1.59 -0.19 0.00 0.64 0.00 0.00 57.07 59.35 2pkk s TYR -4 Cb 0.19 -3.10 -0.05 0.00 0.42 0.00 0.00 41.96 39.42 2pkk s TYR -4 CO 0.47 -1.95 1.11 -0.59 0.64 0.00 0.00 175.55 175.22 2pkk s PHE -3 N -2.85 2.73 0.12 4.97 -0.12 -1.26 -4.78 117.98 116.80 2pkk s PHE -3 Ca 0.62 1.55 -0.30 0.00 -0.05 0.00 0.00 56.93 58.75 2pkk s PHE -3 Cb -0.18 -3.22 -0.06 0.00 -0.63 0.00 0.00 43.02 38.93 2pkk s PHE -3 CO 0.56 -1.45 0.99 1.14 -0.05 0.00 0.00 175.22 176.41 2pkk s GLN -2 N -3.45 4.68 0.25 1.99 1.03 -1.26 -0.55 119.66 122.35 2pkk s GLN -2 Ca 0.70 1.50 0.05 0.00 0.04 0.00 0.00 55.36 57.65 2pkk s GLN -2 Cb -0.22 -3.36 0.30 0.00 0.03 0.00 0.00 33.01 29.76 2pkk s GLN -2 CO 0.29 0.18 1.59 0.66 -2.54 0.00 0.00 175.29 175.47 2pkk h SER -1 N 5.52 0.28 -2.58 12.60 4.64 -0.31 -3.42 113.55 130.27 2pkk h SER -1 Ca -0.43 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2pkk h SER -1 Cb 1.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2pkk h SER -1 CO 0.72 0.77 0.00 0.00 -0.87 0.00 0.00 176.83 177.45 2pkk n HIS 0 N -3.91 0.00 -3.42 4.77 -0.00 -1.25 -4.42 115.22 106.98 2pkk n HIS 0 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 2pkk n HIS 0 Cb 0.58 -0.64 -0.07 0.00 -0.00 0.00 0.00 29.99 29.85 2pkk n HIS 0 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2pkk n MET 1 N 1.82 2.69 -2.83 -1.40 2.81 -1.26 -5.10 117.12 113.84 2pkk n MET 1 Ca 0.00 -4.65 -0.40 0.00 -1.81 0.00 0.00 57.70 50.84 2pkk n MET 1 Cb 0.00 -2.29 -0.06 0.00 -0.71 0.00 0.00 33.22 30.16 2pkk n MET 1 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2pkk s THR 2 N -2.42 4.26 -0.19 2.03 2.01 -1.26 -4.60 115.64 115.46 2pkk s THR 2 Ca 0.38 1.94 -0.10 0.00 0.31 0.00 0.00 61.69 64.22 2pkk s THR 2 Cb 0.12 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2pkk s THR 2 CO -0.01 0.48 0.13 -0.63 -0.69 0.00 0.00 174.62 173.89 2pkk s ILE 3 N -0.96 5.40 -0.22 1.82 1.01 -0.88 -0.70 121.20 126.68 2pkk s ILE 3 Ca 0.40 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 2pkk s ILE 3 Cb -0.24 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2pkk s ILE 3 CO 0.29 0.45 0.17 0.00 0.00 0.00 0.00 174.94 175.86 2pkk s ALA 4 N 0.27 3.64 -0.34 9.38 0.00 -0.56 -1.44 121.76 132.71 2pkk s ALA 4 Ca 0.08 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2pkk s ALA 4 Cb -0.11 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.75 2pkk s ALA 4 CO -0.02 -0.04 0.15 0.08 0.00 0.00 0.00 175.76 175.93 2pkk s VAL 5 N 0.76 4.27 0.01 0.00 1.01 0.99 -0.73 120.40 126.71 2pkk s VAL 5 Ca 0.09 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2pkk s VAL 5 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2pkk s VAL 5 CO 0.02 -0.12 0.07 0.42 0.00 0.00 0.00 175.10 175.50 2pkk s THR 6 N 1.52 4.64 -5.00 3.92 -4.23 0.08 -1.16 115.64 115.40 2pkk s THR 6 Ca 0.02 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2pkk s THR 6 Cb -0.19 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2pkk s THR 6 CO 0.05 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2pkk n GLY 7 N 1.04 0.15 3.86 3.99 0.00 -1.19 -0.81 105.19 112.24 2pkk n GLY 7 Ca -0.12 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2pkk n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pkk s SER 8 N -4.00 6.54 -0.20 1.61 1.04 -0.06 -4.53 113.70 114.10 2pkk s SER 8 Ca 0.00 1.36 0.01 0.00 0.48 0.00 0.00 55.95 57.80 2pkk s SER 8 Cb 0.00 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.74 2pkk s SER 8 CO 0.00 -0.53 -0.10 -0.63 0.98 0.00 0.00 173.24 172.96 2pkk s ILE 9 N -2.57 1.63 0.29 -1.02 1.01 -1.26 -1.26 121.20 118.03 2pkk s ILE 9 Ca 0.55 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 2pkk s ILE 9 Cb -0.10 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 2pkk s ILE 9 CO 0.33 0.18 0.33 0.00 0.00 0.00 0.00 174.94 175.78 2pkk s ALA 10 N 1.40 1.09 -0.18 9.38 0.00 -0.34 -3.87 121.76 129.25 2pkk s ALA 10 Ca -0.01 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.22 2pkk s ALA 10 Cb -0.16 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 2pkk s ALA 10 CO -0.08 -0.71 0.05 0.99 0.00 0.00 0.00 175.76 176.01 2pkk s THR 11 N -3.56 4.67 -0.20 0.00 2.01 -0.48 -0.84 115.64 117.25 2pkk s THR 11 Ca 0.35 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 2pkk s THR 11 Cb 0.02 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 2pkk s THR 11 CO 0.19 0.47 0.11 -1.81 -0.69 0.00 0.00 174.62 172.89 2pkk s ASP 12 N 0.34 6.01 -0.39 3.53 1.01 0.28 -1.78 116.67 125.66 2pkk s ASP 12 Ca 0.02 0.17 -0.11 0.00 0.71 0.00 0.00 52.55 53.34 2pkk s ASP 12 Cb -0.13 -2.05 0.04 0.00 1.01 0.00 0.00 42.92 41.80 2pkk s ASP 12 CO 0.00 0.17 0.24 -1.00 0.21 0.00 0.00 175.17 174.79 2pkk s HIS 13 N 0.42 3.26 -0.15 4.23 3.76 0.17 -0.94 115.29 126.05 2pkk s HIS 13 Ca 0.06 -1.04 -0.04 0.00 -0.15 0.00 0.00 55.06 53.89 2pkk s HIS 13 Cb -0.12 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 2pkk s HIS 13 CO -0.01 -0.69 0.00 -0.51 -0.85 0.00 0.00 174.74 172.68 2pkk s LEU 14 N 1.55 3.50 0.16 0.89 1.43 0.30 -1.34 118.68 125.16 2pkk s LEU 14 Ca 0.02 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 2pkk s LEU 14 Cb -0.20 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2pkk s LEU 14 CO 0.06 0.21 -0.15 -0.04 0.23 0.00 0.00 176.35 176.67 2pkk s MET 15 N 0.10 1.19 -0.08 1.70 -1.94 0.04 -1.13 119.30 119.18 2pkk s MET 15 Ca 0.02 -1.41 0.04 0.00 -1.71 0.00 0.00 55.69 52.63 2pkk s MET 15 Cb -0.13 -1.07 -0.01 0.00 2.01 0.00 0.00 34.83 35.63 2pkk s MET 15 CO 0.02 0.20 -0.22 1.03 -0.01 0.00 0.00 175.02 176.04 2pkk s ARG 16 N -3.07 2.85 -0.33 2.03 0.52 -1.20 -1.42 118.95 118.33 2pkk s ARG 16 Ca 0.15 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 2pkk s ARG 16 Cb -0.03 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 2pkk s ARG 16 CO 0.05 0.31 0.27 0.12 0.02 0.00 0.00 175.30 176.06 2pkk s PHE 17 N 0.04 3.22 -0.02 -0.53 5.36 0.54 -1.28 117.98 125.31 2pkk s PHE 17 Ca -0.09 -0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 55.73 2pkk s PHE 17 Cb -0.15 -2.52 -0.24 0.00 -0.34 0.00 0.00 43.02 39.77 2pkk s PHE 17 CO 0.06 -0.35 3.51 -0.35 -1.46 0.00 0.00 175.22 176.63 2pkk n PRO 18 N 5.18 1.97 -0.60 10.12 -0.04 -1.26 -3.50 135.00 146.87 2pkk n PRO 18 Ca -0.12 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 2pkk n PRO 18 Cb 0.50 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2pkk n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pkk n GLY 19 N 2.37 3.13 3.22 0.55 0.00 -1.26 -4.95 105.19 108.25 2pkk n GLY 19 Ca 0.41 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 2pkk n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkk s ARG 20 N -0.41 3.15 0.26 1.61 0.52 -1.26 -1.17 118.95 121.65 2pkk s ARG 20 Ca 0.00 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2pkk s ARG 20 Cb 0.00 -2.61 0.33 0.00 0.52 0.00 0.00 34.95 33.19 2pkk s ARG 20 CO 0.00 -0.06 1.87 0.74 0.02 0.00 0.00 175.30 177.87 2pkk h PHE 21 N 7.51 1.06 -0.55 -0.53 0.04 -1.96 -3.08 116.94 119.43 2pkk h PHE 21 Ca -0.36 -0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.45 2pkk h PHE 21 Cb 1.18 -0.33 -0.07 0.00 2.20 0.00 0.00 35.95 38.93 2pkk h PHE 21 CO 0.50 0.77 0.19 0.66 -0.60 0.00 0.00 178.31 179.82 2pkk h SER 22 N 1.06 0.17 0.01 2.17 4.64 -1.97 -0.11 113.55 119.53 2pkk h SER 22 Ca 0.26 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2pkk h SER 22 Cb 0.10 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2pkk h SER 22 CO -0.03 0.11 0.00 1.21 -0.87 0.00 0.00 176.83 177.25 2pkk n GLU 23 N -5.02 0.17 -0.02 4.77 2.13 -1.16 -1.88 120.64 119.62 2pkk n GLU 23 Ca 0.07 0.03 0.03 0.00 0.66 0.00 0.00 57.16 57.95 2pkk n GLU 23 Cb 0.24 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.36 2pkk n GLU 23 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2pkk n GLN 24 N -1.04 0.81 -2.28 5.31 1.13 -0.06 -4.88 117.38 116.36 2pkk n GLN 24 Ca 0.04 -0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.60 2pkk n GLN 24 Cb 0.02 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2pkk n GLN 24 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2pkk n LEU 25 N -2.05 7.15 -4.50 1.08 7.99 -0.79 -5.02 117.00 120.86 2pkk n LEU 25 Ca -0.06 -4.81 -0.53 0.00 -0.01 0.00 0.00 56.01 50.60 2pkk n LEU 25 Cb 0.45 -1.41 -0.07 0.00 -0.11 0.00 0.00 43.42 42.28 2pkk n LEU 25 CO 0.25 1.67 1.67 0.18 -1.51 0.00 0.00 177.39 179.65 2pkk n LEU 26 N 2.76 2.15 -0.55 2.23 4.77 -1.26 -4.81 117.00 122.29 2pkk n LEU 26 Ca 0.47 0.62 0.45 0.00 -0.03 0.00 0.00 56.01 57.51 2pkk n LEU 26 Cb 0.32 -1.21 0.76 0.00 -2.33 0.00 0.00 43.42 40.95 2pkk n LEU 26 CO 0.76 -0.62 1.38 -0.65 -1.33 0.00 0.00 177.39 176.93 2pkk h PRO 27 N 10.75 0.03 -0.00 3.23 0.11 -1.95 0.18 132.00 144.34 2pkk h PRO 27 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2pkk h PRO 27 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2pkk h PRO 27 CO 1.01 0.02 -0.13 -0.85 -0.21 0.00 0.00 178.00 177.83 2pkk n GLU 28 N -4.21 0.75 -0.01 1.05 0.28 -1.26 -3.66 120.64 113.58 2pkk n GLU 28 Ca 0.38 -0.31 0.03 0.00 -0.16 0.00 0.00 57.16 57.10 2pkk n GLU 28 Cb 1.68 -1.49 0.03 0.00 1.43 0.00 0.00 31.44 33.08 2pkk n GLU 28 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2pkk n HIS 29 N -0.86 0.02 0.21 -1.84 8.25 0.57 -4.62 115.22 116.95 2pkk n HIS 29 Ca 0.14 -0.05 0.06 0.00 -0.26 0.00 0.00 57.72 57.60 2pkk n HIS 29 Cb 0.29 -0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.66 2pkk n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2pkk n LEU 30 N 0.27 0.21 0.20 2.41 4.77 -0.82 -1.75 117.00 122.28 2pkk n LEU 30 Ca 0.03 0.58 0.03 0.00 -0.03 0.00 0.00 56.01 56.63 2pkk n LEU 30 Cb 0.15 -0.58 0.41 0.00 -2.33 0.00 0.00 43.42 41.07 2pkk n LEU 30 CO 0.03 -0.55 0.78 1.12 -1.33 0.00 0.00 177.39 177.45 2pkk h HIS 31 N 0.00 0.00 -1.17 -1.77 -0.00 -1.84 -3.37 115.15 106.99 2pkk h HIS 31 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.13 2pkk h HIS 31 Cb 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 27.32 2pkk h HIS 31 CO 0.00 0.31 -0.59 1.17 -0.00 0.00 0.00 177.93 178.82 2pkk n LYS 32 N -4.16 0.50 -1.42 5.12 4.81 -0.72 -5.15 118.16 117.14 2pkk n LYS 32 Ca -0.02 -2.24 -0.36 0.00 -0.87 0.00 0.00 58.31 54.82 2pkk n LYS 32 Cb 0.35 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 33.99 2pkk n LYS 32 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2pkk n VAL 33 N 2.77 3.11 -3.42 3.15 0.24 -1.18 -5.00 118.33 117.99 2pkk n VAL 33 Ca 0.19 -0.39 -0.25 0.00 -2.04 0.00 0.00 64.34 61.85 2pkk n VAL 33 Cb 0.55 -1.14 -0.10 0.00 -1.47 0.00 0.00 33.84 31.67 2pkk n VAL 33 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2pkk s SER 34 N -1.58 2.28 -0.04 -1.34 0.15 -1.26 -5.12 113.70 106.79 2pkk s SER 34 Ca 0.75 -2.07 0.07 0.00 0.70 0.00 0.00 55.95 55.39 2pkk s SER 34 Cb -0.35 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 2pkk s SER 34 CO 0.49 -0.28 -0.25 -0.76 1.20 0.00 0.00 173.24 173.64 2pkk s LEU 35 N 1.10 2.05 -0.13 3.45 1.43 -1.26 -5.11 118.68 120.20 2pkk s LEU 35 Ca 0.19 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2pkk s LEU 35 Cb -0.19 -1.32 0.07 0.00 0.03 0.00 0.00 46.19 44.78 2pkk s LEU 35 CO -0.01 0.26 0.28 -0.55 0.23 0.00 0.00 176.35 176.55 2pkk s SER 36 N -0.30 0.25 -0.27 2.29 0.15 -1.26 -5.14 113.70 109.43 2pkk s SER 36 Ca 0.01 0.63 -0.04 0.00 0.70 0.00 0.00 55.95 57.25 2pkk s SER 36 Cb -0.12 0.74 0.02 0.00 -1.71 0.00 0.00 66.02 64.95 2pkk s SER 36 CO 0.02 -0.23 0.01 -0.36 1.20 0.00 0.00 173.24 173.87 2pkk s PHE 37 N 2.36 3.11 -0.17 3.44 0.08 -1.26 -5.07 117.98 120.48 2pkk s PHE 37 Ca 0.00 -1.30 -0.29 0.00 0.12 0.00 0.00 56.93 55.46 2pkk s PHE 37 Cb -0.12 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2pkk s PHE 37 CO -0.09 -0.66 1.57 -1.17 -0.10 0.00 0.00 175.22 174.77 2pkk s LEU 38 N 1.40 4.06 0.22 -0.37 2.96 -1.26 -5.01 118.68 120.69 2pkk s LEU 38 Ca 0.01 1.80 0.05 0.00 -0.22 0.00 0.00 54.13 55.77 2pkk s LEU 38 Cb -0.17 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 2pkk s LEU 38 CO -0.01 -1.08 0.28 0.68 -1.32 0.00 0.00 176.35 174.89 2pkk s VAL 39 N 4.59 4.96 -0.35 1.68 -7.23 -1.26 -4.51 120.40 118.28 2pkk s VAL 39 Ca 0.69 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 2pkk s VAL 39 Cb -0.27 -3.65 0.11 0.00 0.56 0.00 0.00 36.38 33.13 2pkk s VAL 39 CO 0.27 -0.27 1.08 -0.90 -0.31 0.00 0.00 175.10 174.97 2pkk n ASP 40 N -1.09 2.31 -3.60 4.85 5.75 -0.41 -4.99 116.55 119.38 2pkk n ASP 40 Ca -0.08 -1.97 -0.15 0.00 -0.01 0.00 0.00 54.79 52.57 2pkk n ASP 40 Cb 0.56 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.51 2pkk n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2pkk s ASP 41 N -0.98 -0.72 -0.17 -1.12 2.15 -1.26 -4.97 116.67 109.60 2pkk s ASP 41 Ca 0.08 1.22 -0.05 0.00 0.43 0.00 0.00 52.55 54.23 2pkk s ASP 41 Cb 0.04 1.18 0.08 0.00 -0.30 0.00 0.00 42.92 43.93 2pkk s ASP 41 CO 0.06 -0.36 0.32 -0.22 -0.17 0.00 0.00 175.17 174.81 2pkk s LEU 42 N -0.09 -0.44 0.04 -1.34 2.96 -1.26 -3.24 118.68 115.30 2pkk s LEU 42 Ca -0.03 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 2pkk s LEU 42 Cb -0.03 0.94 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 2pkk s LEU 42 CO 0.04 -0.25 -0.08 0.68 -1.32 0.00 0.00 176.35 175.42 2pkk s VAL 43 N 2.49 0.53 -0.06 1.68 -7.23 -0.28 -4.97 120.40 112.56 2pkk s VAL 43 Ca 0.02 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2pkk s VAL 43 Cb -0.13 -0.59 -0.03 0.00 0.56 0.00 0.00 36.38 36.20 2pkk s VAL 43 CO -0.11 -0.35 -0.10 -0.04 -0.31 0.00 0.00 175.10 174.19 2pkk s MET 44 N -1.49 2.66 0.06 4.82 1.00 -1.26 -0.54 119.30 124.55 2pkk s MET 44 Ca -0.09 -0.60 -0.07 0.00 0.00 0.00 0.00 55.69 54.92 2pkk s MET 44 Cb -0.09 -2.51 -0.01 0.00 0.00 0.00 0.00 34.83 32.22 2pkk s MET 44 CO 0.00 0.65 0.15 -1.01 0.00 0.00 0.00 175.02 174.81 2pkk s HIS 45 N -0.78 0.17 0.34 -0.03 3.76 -0.12 -5.00 115.29 113.64 2pkk s HIS 45 Ca 0.12 -0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 2pkk s HIS 45 Cb -0.11 -0.10 -0.10 0.00 1.11 0.00 0.00 32.58 33.38 2pkk s HIS 45 CO 0.01 -0.45 1.35 1.03 -0.85 0.00 0.00 174.74 175.83 2pkk s ARG 46 N -3.20 4.29 0.00 1.40 1.81 -1.26 -0.56 118.95 121.43 2pkk s ARG 46 Ca -0.00 2.31 0.00 0.00 -1.72 0.00 0.00 55.73 56.32 2pkk s ARG 46 Cb 0.02 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 2pkk s ARG 46 CO -0.07 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.68 2pkk n GLY 47 N 0.73 3.73 0.00 -3.53 0.00 -0.02 -4.43 105.19 101.68 2pkk n GLY 47 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2pkk n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkk n GLY 48 N 0.00 0.52 0.35 -0.02 0.00 -1.26 -1.19 105.19 103.58 2pkk n GLY 48 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 2pkk n GLY 48 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2pkk h VAL 49 N 0.00 1.21 -0.09 1.61 -1.51 -1.76 -0.60 116.25 115.11 2pkk h VAL 49 Ca 0.00 -0.47 -0.14 0.00 -1.23 0.00 0.00 66.70 64.86 2pkk h VAL 49 Cb 0.00 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.32 2pkk h VAL 49 CO 0.00 0.22 -0.50 0.00 -1.23 0.00 0.00 177.57 176.06 2pkk h ALA 50 N 1.45 0.18 -0.57 5.19 0.00 -1.41 -0.73 119.26 123.38 2pkk h ALA 50 Ca 0.27 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2pkk h ALA 50 Cb -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2pkk h ALA 50 CO -0.05 0.37 0.24 0.78 0.00 0.00 0.00 179.25 180.58 2pkk h GLY 51 N 0.08 0.80 0.88 0.00 0.00 -1.39 0.12 103.07 103.56 2pkk h GLY 51 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2pkk h GLY 51 CO 0.10 0.03 -0.05 3.43 0.00 0.00 0.00 176.54 180.05 2pkk h ASN 52 N 0.45 -0.13 -0.61 0.19 2.35 -1.00 -0.58 115.58 116.26 2pkk h ASN 52 Ca 0.27 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2pkk h ASN 52 Cb 0.28 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2pkk h ASN 52 CO -0.25 0.02 0.16 0.24 -1.65 0.00 0.00 177.43 175.95 2pkk h MET 53 N -0.27 0.97 -0.52 0.81 2.86 -1.06 -2.40 114.93 115.32 2pkk h MET 53 Ca -0.02 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2pkk h MET 53 Cb 0.22 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2pkk h MET 53 CO 0.03 0.88 0.22 0.00 1.06 0.00 0.00 176.91 179.09 2pkk h ALA 54 N 1.05 0.67 -0.34 6.32 0.00 -0.68 -2.05 119.26 124.23 2pkk h ALA 54 Ca 0.19 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2pkk h ALA 54 Cb 0.34 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2pkk h ALA 54 CO -0.00 0.27 -0.00 0.35 0.00 0.00 0.00 179.25 179.87 2pkk h PHE 55 N 0.70 -0.02 -0.46 0.00 3.57 -1.01 -0.94 116.94 118.78 2pkk h PHE 55 Ca 0.17 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 2pkk h PHE 55 Cb 0.17 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2pkk h PHE 55 CO 0.00 -0.06 -0.19 0.00 -2.23 0.00 0.00 178.31 175.82 2pkk h ALA 56 N 1.30 0.65 -0.70 2.41 0.00 -1.27 0.89 119.26 122.53 2pkk h ALA 56 Ca 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2pkk h ALA 56 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2pkk h ALA 56 CO -0.28 0.62 0.38 0.82 0.00 0.00 0.00 179.25 180.79 2pkk h ILE 57 N 0.79 1.22 -0.44 0.00 2.04 -1.17 -1.04 117.51 118.91 2pkk h ILE 57 Ca 0.11 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 2pkk h ILE 57 Cb 0.77 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2pkk h ILE 57 CO 0.06 0.24 0.10 1.23 0.00 0.00 0.00 178.15 179.78 2pkk h GLY 58 N 0.96 0.77 0.80 5.37 0.00 -0.79 0.23 103.07 110.40 2pkk h GLY 58 Ca 0.25 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 47.13 2pkk h GLY 58 CO -0.04 0.45 0.34 -2.08 0.00 0.00 0.00 176.54 175.22 2pkk h VAL 59 N 0.59 1.02 0.00 4.60 2.07 -0.60 -1.47 116.25 122.47 2pkk h VAL 59 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2pkk h VAL 59 Cb 0.33 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2pkk h VAL 59 CO 0.00 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.89 2pkk n LEU 60 N -4.78 0.00 0.00 2.57 4.77 -0.41 -4.87 117.00 114.28 2pkk n LEU 60 Ca 0.06 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2pkk n LEU 60 Cb 0.11 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2pkk n LEU 60 CO 0.31 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2pkk n GLY 61 N 0.04 0.79 3.82 -0.72 0.00 -0.55 -4.98 105.19 103.59 2pkk n GLY 61 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2pkk n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pkk s GLY 62 N -1.81 1.97 -0.18 -0.02 0.00 0.76 -4.98 107.32 103.06 2pkk s GLY 62 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 44.72 44.73 2pkk s GLY 62 CO 0.00 0.52 0.66 -0.54 0.00 0.00 0.00 173.10 173.74 2pkk s GLU 63 N -4.38 4.25 -0.12 2.90 0.41 -1.26 -4.31 118.70 116.18 2pkk s GLU 63 Ca 0.60 0.69 -0.10 0.00 -0.41 0.00 0.00 54.97 55.75 2pkk s GLU 63 Cb -0.13 -3.56 0.03 0.00 -1.78 0.00 0.00 34.13 28.69 2pkk s GLU 63 CO 0.41 -0.21 0.32 0.54 -0.49 0.00 0.00 175.26 175.82 2pkk s VAL 64 N 1.81 -0.01 -0.12 2.63 0.11 -1.26 -2.06 120.40 121.51 2pkk s VAL 64 Ca 0.31 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.39 2pkk s VAL 64 Cb -0.16 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2pkk s VAL 64 CO 0.11 0.01 -0.15 0.00 -3.33 0.00 0.00 175.10 171.75 2pkk s ALA 65 N 0.37 2.57 -0.20 1.54 0.00 -0.52 -1.43 121.76 124.10 2pkk s ALA 65 Ca -0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 2pkk s ALA 65 Cb -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2pkk s ALA 65 CO -0.02 0.29 0.37 -1.17 0.00 0.00 0.00 175.76 175.24 2pkk s LEU 66 N 0.21 4.16 -0.24 0.00 2.96 -0.03 -0.00 118.68 125.75 2pkk s LEU 66 Ca -0.09 0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 54.31 2pkk s LEU 66 Cb -0.15 -2.47 0.07 0.00 0.50 0.00 0.00 46.19 44.13 2pkk s LEU 66 CO 0.05 -0.05 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.34 2pkk s VAL 67 N 1.18 1.20 0.04 1.68 1.01 -0.31 -3.81 120.40 121.39 2pkk s VAL 67 Ca 0.18 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 2pkk s VAL 67 Cb -0.14 -1.60 0.09 0.00 0.00 0.00 0.00 36.38 34.73 2pkk s VAL 67 CO 0.07 -0.22 1.22 -0.83 0.00 0.00 0.00 175.10 175.35 2pkk s GLY 68 N 1.53 -0.07 -0.08 4.51 0.00 -1.26 -3.15 107.32 108.81 2pkk s GLY 68 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.67 2pkk s GLY 68 CO -0.09 4.67 -0.16 0.00 0.00 0.00 0.00 173.10 177.52 2pkk s ALA 69 N -2.07 2.53 0.19 3.20 0.00 -1.26 -0.87 121.76 123.49 2pkk s ALA 69 Ca 0.27 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2pkk s ALA 69 Cb -0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2pkk s ALA 69 CO 0.01 0.41 0.07 0.00 0.00 0.00 0.00 175.76 176.25 2pkk s ALA 70 N -0.20 1.31 0.82 0.00 0.00 -0.41 -3.88 121.76 119.40 2pkk s ALA 70 Ca -0.01 -1.67 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 2pkk s ALA 70 Cb -0.13 0.95 0.14 0.00 0.00 0.00 0.00 23.12 24.09 2pkk s ALA 70 CO 0.03 -0.46 1.14 0.20 0.00 0.00 0.00 175.76 176.68 2pkk s GLY 71 N -3.18 1.75 0.59 0.00 0.00 -1.26 -0.48 107.32 104.74 2pkk s GLY 71 Ca 0.31 -1.32 0.29 0.00 0.00 0.00 0.00 44.72 44.00 2pkk s GLY 71 CO 0.08 -0.70 2.10 0.00 0.00 0.00 0.00 173.10 174.57 2pkk h ALA 72 N -1.03 1.81 0.00 3.20 0.00 -1.71 -0.93 119.26 120.60 2pkk h ALA 72 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pkk h ALA 72 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2pkk h ALA 72 CO 0.44 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 2pkk n ASP 73 N -3.80 0.00 0.30 0.00 5.75 -1.26 -3.78 116.55 113.76 2pkk n ASP 73 Ca 0.02 0.23 0.18 0.00 -0.01 0.00 0.00 54.79 55.21 2pkk n ASP 73 Cb 0.33 -0.34 0.95 0.00 -1.03 0.00 0.00 41.12 41.02 2pkk n ASP 73 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2pkk h PHE 74 N 0.00 0.00 -0.83 2.11 3.57 -1.53 -3.23 116.94 117.03 2pkk h PHE 74 Ca 0.00 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.71 2pkk h PHE 74 Cb 0.11 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.73 2pkk h PHE 74 CO 0.00 0.03 0.22 0.00 -2.23 0.00 0.00 178.31 176.33 2pkk h ALA 75 N 1.97 1.16 -0.31 2.41 0.00 -1.84 0.40 119.26 123.05 2pkk h ALA 75 Ca -0.00 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2pkk h ALA 75 Cb 0.19 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2pkk h ALA 75 CO 0.00 -0.41 -0.14 -0.44 0.00 0.00 0.00 179.25 178.27 2pkk h ASP 76 N 0.24 0.66 -0.73 0.00 3.32 -1.90 -2.32 116.42 115.69 2pkk h ASP 76 Ca 0.50 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2pkk h ASP 76 Cb 0.95 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 2pkk h ASP 76 CO -0.60 0.91 0.20 0.22 -1.72 0.00 0.00 179.24 178.26 2pkk h TYR 77 N 0.39 1.20 -0.78 4.55 -0.00 -1.56 -2.51 116.97 118.25 2pkk h TYR 77 Ca 0.07 -0.13 0.11 0.00 -0.00 0.00 0.00 58.73 58.78 2pkk h TYR 77 Cb 0.66 -0.34 -0.08 0.00 -0.00 0.00 0.00 36.73 36.97 2pkk h TYR 77 CO 0.06 0.96 0.41 -0.09 -0.00 0.00 0.00 178.16 179.49 2pkk h ARG 78 N 1.09 0.63 -0.68 1.82 2.43 -0.11 -1.04 114.38 118.53 2pkk h ARG 78 Ca 0.23 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2pkk h ARG 78 Cb 0.34 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2pkk h ARG 78 CO -0.00 0.42 0.29 -0.44 -1.51 0.00 0.00 179.97 178.73 2pkk h ASP 79 N 0.65 0.91 -0.45 -3.80 3.32 -1.00 0.91 116.42 116.95 2pkk h ASP 79 Ca 0.40 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2pkk h ASP 79 Cb 0.46 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2pkk h ASP 79 CO -0.30 0.82 0.29 -0.25 -1.72 0.00 0.00 179.24 178.08 2pkk h TRP 80 N 0.95 0.59 -0.36 4.55 2.91 -1.03 -1.62 115.95 121.94 2pkk h TRP 80 Ca 0.23 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.17 2pkk h TRP 80 Cb 0.17 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 2pkk h TRP 80 CO 0.01 0.39 -0.12 -0.07 -1.03 0.00 0.00 178.44 177.63 2pkk h LEU 81 N 0.61 0.72 -1.61 0.65 3.38 -1.00 -3.12 115.31 114.93 2pkk h LEU 81 Ca 0.16 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2pkk h LEU 81 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2pkk h LEU 81 CO -0.03 0.94 0.25 0.11 0.09 0.00 0.00 178.44 179.79 2pkk h LYS 82 N 0.50 0.51 0.00 1.13 1.57 -0.69 -0.41 116.57 119.17 2pkk h LYS 82 Ca 0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2pkk h LYS 82 Cb 0.64 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2pkk h LYS 82 CO 0.04 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 2pkk h ALA 83 N 1.75 1.00 -0.26 3.86 0.00 -1.23 -1.25 119.26 123.14 2pkk h ALA 83 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2pkk h ALA 83 Cb -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2pkk h ALA 83 CO -0.03 0.00 -0.00 0.54 0.00 0.00 0.00 179.25 179.76 2pkk n ARG 84 N -2.94 2.82 -0.69 0.00 5.12 -0.20 -4.96 116.66 115.82 2pkk n ARG 84 Ca -0.02 -2.85 0.00 0.00 -1.93 0.00 0.00 57.85 53.05 2pkk n ARG 84 Cb 0.08 -1.84 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 2pkk n ARG 84 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pkk n GLY 85 N -0.57 0.65 3.70 -0.13 0.00 -0.47 -3.71 105.19 104.66 2pkk n GLY 85 Ca 0.22 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2pkk n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pkk s VAL 86 N -2.00 4.46 -0.41 1.61 1.01 -0.97 -4.59 120.40 119.51 2pkk s VAL 86 Ca 0.00 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 2pkk s VAL 86 Cb 0.00 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.27 2pkk s VAL 86 CO 0.00 0.07 1.09 0.21 0.00 0.00 0.00 175.10 176.47 2pkk s ASN 87 N 1.18 6.74 -0.11 3.32 3.84 -0.51 -4.11 114.94 125.29 2pkk s ASN 87 Ca 0.54 0.67 0.16 0.00 0.21 0.00 0.00 52.86 54.44 2pkk s ASN 87 Cb -0.24 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.50 2pkk s ASN 87 CO 0.25 -1.09 1.49 0.00 -2.79 0.00 0.00 177.10 174.96 2pkk h ASP 89 N 2.93 0.00 -0.57 0.00 3.32 -1.90 -2.74 116.42 117.46 2pkk h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pkk h ASP 89 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2pkk h ASP 89 CO 0.19 0.14 0.00 1.41 -1.72 0.00 0.00 179.24 179.25 2pkk n HIS 90 N -3.82 1.41 -2.50 4.55 8.25 -1.26 -4.91 115.22 116.94 2pkk n HIS 90 Ca -0.02 -0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 56.37 2pkk n HIS 90 Cb 0.24 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2pkk n HIS 90 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2pkk s VAL 91 N -1.99 4.33 -0.08 1.59 1.01 -1.04 -4.21 120.40 120.02 2pkk s VAL 91 Ca 0.48 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.82 2pkk s VAL 91 Cb 0.32 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2pkk s VAL 91 CO 0.21 0.03 1.01 -0.22 0.00 0.00 0.00 175.10 176.14 2pkk s LEU 92 N 1.87 4.28 -0.29 3.92 0.20 -0.05 -4.97 118.68 123.64 2pkk s LEU 92 Ca 0.55 1.58 -0.09 0.00 0.69 0.00 0.00 54.13 56.86 2pkk s LEU 92 Cb -0.24 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 41.94 2pkk s LEU 92 CO 0.23 -0.41 0.12 -0.63 -0.29 0.00 0.00 176.35 175.38 2pkk s ILE 93 N 1.78 4.48 0.34 6.68 1.01 -1.26 -1.29 121.20 132.93 2pkk s ILE 93 Ca 0.50 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 2pkk s ILE 93 Cb -0.19 -3.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 2pkk s ILE 93 CO 0.21 0.15 1.34 -0.55 0.00 0.00 0.00 174.94 176.09 2pkk s SER 94 N 1.61 6.69 0.43 3.58 0.15 0.37 -4.91 113.70 121.62 2pkk s SER 94 Ca 0.05 2.75 0.24 0.00 0.70 0.00 0.00 55.95 59.69 2pkk s SER 94 Cb -0.16 -2.65 0.54 0.00 -1.71 0.00 0.00 66.02 62.03 2pkk s SER 94 CO 0.05 -0.60 1.67 -0.33 1.20 0.00 0.00 173.24 175.23 2pkk h GLU 95 N 3.40 0.00 0.00 5.44 5.08 -1.97 -3.30 114.58 123.23 2pkk h GLU 95 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2pkk h GLU 95 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2pkk h GLU 95 CO 0.66 0.11 -0.44 0.25 -1.00 0.00 0.00 179.01 178.58 2pkk n THR 96 N -3.15 0.00 -3.87 1.13 -2.24 -1.26 -4.98 114.28 99.91 2pkk n THR 96 Ca 0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.60 2pkk n THR 96 Cb 0.52 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2pkk n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkk s ALA 97 N -1.25 3.97 0.17 6.98 0.00 -1.26 -5.05 121.76 125.32 2pkk s ALA 97 Ca 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.59 2pkk s ALA 97 Cb 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 2pkk s ALA 97 CO 0.00 0.18 0.44 -1.58 0.00 0.00 0.00 175.76 174.80 2pkk s HIS 98 N -2.04 3.46 0.31 0.00 2.46 -1.26 -4.12 115.29 114.11 2pkk s HIS 98 Ca 0.36 0.69 -0.29 0.00 0.47 0.00 0.00 55.06 56.30 2pkk s HIS 98 Cb -0.09 -2.11 -0.13 0.00 -0.13 0.00 0.00 32.58 30.12 2pkk s HIS 98 CO 0.29 0.38 1.21 2.41 -2.47 0.00 0.00 174.74 176.56 2pkk n THR 99 N 0.06 1.83 -1.51 0.89 -1.04 -1.26 0.09 114.28 113.34 2pkk n THR 99 Ca -0.02 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.05 61.17 2pkk n THR 99 Cb 0.52 -1.34 0.06 0.00 -1.82 0.00 0.00 70.33 67.75 2pkk n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pkk n ALA 100 N 0.53 -0.20 -3.76 2.41 0.00 -1.23 -4.76 120.51 113.50 2pkk n ALA 100 Ca 0.07 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2pkk n ALA 100 Cb 0.34 -2.06 -0.17 0.00 0.00 0.00 0.00 19.45 17.56 2pkk n ALA 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2pkk s ARG 101 N -2.86 2.32 -0.18 0.00 3.52 -0.43 -1.38 118.95 119.93 2pkk s ARG 101 Ca 0.74 -0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 55.69 2pkk s ARG 101 Cb -0.39 -2.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.96 2pkk s ARG 101 CO 0.49 -0.10 0.03 0.12 -0.81 0.00 0.00 175.30 175.03 2pkk s PHE 102 N 1.10 3.16 -0.20 5.12 5.36 -0.73 -0.49 117.98 131.31 2pkk s PHE 102 Ca -0.03 -0.11 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 2pkk s PHE 102 Cb -0.14 -2.06 0.04 0.00 -0.34 0.00 0.00 43.02 40.51 2pkk s PHE 102 CO -0.04 0.03 -0.12 0.99 -1.46 0.00 0.00 175.22 174.61 2pkk s THR 103 N 0.52 1.75 -0.01 0.12 2.01 -0.69 0.46 115.64 119.79 2pkk s THR 103 Ca 0.01 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.03 2pkk s THR 103 Cb -0.13 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 2pkk s THR 103 CO 0.02 0.25 -0.10 0.00 -0.69 0.00 0.00 174.62 174.09 2pkk s THR 105 N -0.09 2.02 -0.10 0.00 2.01 0.11 -0.78 115.64 118.81 2pkk s THR 105 Ca 0.01 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.05 2pkk s THR 105 Cb -0.06 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 2pkk s THR 105 CO -0.00 0.55 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.46 2pkk s THR 106 N 0.64 3.15 0.41 -0.82 2.01 -0.51 -1.40 115.64 119.12 2pkk s THR 106 Ca -0.12 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.28 2pkk s THR 106 Cb -0.16 -2.29 0.07 0.00 0.01 0.00 0.00 72.50 70.13 2pkk s THR 106 CO 0.02 0.55 0.57 -0.90 -0.69 0.00 0.00 174.62 174.18 2pkk n ASP 107 N 3.01 1.28 0.28 3.53 5.75 -0.56 -0.34 116.55 129.50 2pkk n ASP 107 Ca -0.18 -1.96 0.16 0.00 -0.01 0.00 0.00 54.79 52.80 2pkk n ASP 107 Cb 0.53 -0.32 0.76 0.00 -1.03 0.00 0.00 41.12 41.05 2pkk n ASP 107 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2pkk h VAL 108 N -0.09 0.22 -0.43 2.12 -1.51 -1.18 -2.44 116.25 112.94 2pkk h VAL 108 Ca -0.19 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2pkk h VAL 108 Cb 0.83 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2pkk h VAL 108 CO 0.25 0.06 0.00 0.47 -1.23 0.00 0.00 177.57 177.13 2pkk n ASP 109 N -3.26 3.28 -0.95 4.19 8.00 -1.26 -4.92 116.55 121.62 2pkk n ASP 109 Ca -0.01 -2.28 -0.12 0.00 0.71 0.00 0.00 54.79 53.09 2pkk n ASP 109 Cb 0.27 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 2pkk n ASP 109 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2pkk n MET 110 N 0.67 -1.65 -1.60 -1.24 2.81 -0.92 -5.00 117.12 110.19 2pkk n MET 110 Ca 0.17 0.93 -0.32 0.00 -1.81 0.00 0.00 57.70 56.67 2pkk n MET 110 Cb 0.62 -5.35 0.06 0.00 -0.71 0.00 0.00 33.22 27.84 2pkk n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pkk s ALA 111 N -2.06 2.41 -0.05 3.04 0.00 -1.26 -4.81 121.76 119.03 2pkk s ALA 111 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 2pkk s ALA 111 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 2pkk s ALA 111 CO 0.00 -1.42 0.13 -0.65 0.00 0.00 0.00 175.76 173.82 2pkk s GLN 112 N -4.36 0.14 -0.05 0.00 -0.21 -1.26 -1.50 119.66 112.42 2pkk s GLN 112 Ca 0.65 0.22 0.01 0.00 0.02 0.00 0.00 55.36 56.26 2pkk s GLN 112 Cb -0.19 0.02 0.02 0.00 1.00 0.00 0.00 33.01 33.86 2pkk s GLN 112 CO 0.46 -0.05 -0.06 0.42 -2.12 0.00 0.00 175.29 173.94 2pkk s ILE 113 N 0.30 0.64 0.01 1.08 1.01 -0.50 -4.99 121.20 118.75 2pkk s ILE 113 Ca -0.02 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 2pkk s ILE 113 Cb -0.03 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.83 2pkk s ILE 113 CO -0.01 0.24 0.32 0.00 0.00 0.00 0.00 174.94 175.50 2pkk s ALA 114 N 0.82 -0.79 0.23 9.38 0.00 -1.26 -0.71 121.76 129.43 2pkk s ALA 114 Ca -0.12 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.17 2pkk s ALA 114 Cb -0.14 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2pkk s ALA 114 CO 0.01 -0.33 -0.06 -1.54 0.00 0.00 0.00 175.76 173.84 2pkk s SER 115 N -1.65 4.34 -0.11 0.00 1.04 -0.21 -4.99 113.70 112.11 2pkk s SER 115 Ca -0.10 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 2pkk s SER 115 Cb -0.03 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.39 2pkk s SER 115 CO 0.01 0.05 0.04 0.12 0.98 0.00 0.00 173.24 174.44 2pkk s PHE 116 N -2.10 0.52 -0.33 5.02 5.36 -1.26 -1.71 117.98 123.47 2pkk s PHE 116 Ca 0.29 -0.26 -0.14 0.00 -0.96 0.00 0.00 56.93 55.85 2pkk s PHE 116 Cb -0.07 -0.76 -0.02 0.00 -0.34 0.00 0.00 43.02 41.83 2pkk s PHE 116 CO 0.18 -0.40 0.33 -0.47 -1.46 0.00 0.00 175.22 173.40 2pkk s TYR 117 N 2.02 3.22 0.09 10.12 5.04 0.36 -4.98 117.35 133.22 2pkk s TYR 117 Ca 0.03 -0.03 -0.17 0.00 -2.44 0.00 0.00 57.07 54.47 2pkk s TYR 117 Cb -0.14 -2.61 -0.09 0.00 0.35 0.00 0.00 41.96 39.47 2pkk s TYR 117 CO -0.06 -0.39 1.44 -1.00 -1.34 0.00 0.00 175.55 174.20 2pkk h PRO 118 N 8.45 0.58 0.00 4.97 0.13 -1.96 -1.14 132.00 143.03 2pkk h PRO 118 Ca -0.30 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2pkk h PRO 118 Cb 1.15 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2pkk h PRO 118 CO 0.67 0.84 0.00 0.41 -0.23 0.00 0.00 178.00 179.69 2pkk n GLY 119 N 0.01 3.30 0.34 1.56 0.00 -1.26 -0.98 105.19 108.16 2pkk n GLY 119 Ca -0.04 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.21 2pkk n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkk h ALA 120 N -0.63 1.04 -0.51 4.61 0.00 -0.59 -2.50 119.26 120.68 2pkk h ALA 120 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2pkk h ALA 120 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2pkk h ALA 120 CO 0.00 -0.03 0.36 1.98 0.00 0.00 0.00 179.25 181.55 2pkk h MET 121 N 0.00 0.16 0.00 0.00 -1.53 -1.17 -1.10 114.93 111.29 2pkk h MET 121 Ca 0.00 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 2pkk h MET 121 Cb 0.07 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.08 2pkk h MET 121 CO -0.00 0.11 -0.03 0.77 0.14 0.00 0.00 176.91 177.90 2pkk h SER 122 N 0.16 0.00 0.15 1.39 0.02 -1.63 -0.70 113.55 112.95 2pkk h SER 122 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2pkk h SER 122 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2pkk h SER 122 CO -0.04 0.03 0.00 -0.62 -1.14 0.00 0.00 176.83 175.06 2pkk n GLU 123 N -3.51 0.74 0.28 3.45 1.02 -0.42 -3.46 120.64 118.74 2pkk n GLU 123 Ca -0.02 0.01 0.15 0.00 -0.02 0.00 0.00 57.16 57.27 2pkk n GLU 123 Cb 0.13 -1.50 0.84 0.00 -0.02 0.00 0.00 31.44 30.89 2pkk n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pkk h ALA 124 N 3.62 1.31 0.00 0.62 0.00 -1.28 -0.57 119.26 122.97 2pkk h ALA 124 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pkk h ALA 124 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pkk h ALA 124 CO 0.00 0.08 0.00 2.89 0.00 0.00 0.00 179.25 182.22 2pkk n ARG 125 N -3.62 0.13 0.00 0.00 1.85 -1.22 -1.38 116.66 112.41 2pkk n ARG 125 Ca -0.02 0.49 0.12 0.00 -1.00 0.00 0.00 57.85 57.44 2pkk n ARG 125 Cb 0.18 -1.82 0.23 0.00 -1.05 0.00 0.00 32.46 30.00 2pkk n ARG 125 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2pkk n ASN 126 N -2.07 0.97 -4.73 2.89 3.02 -0.22 -4.89 115.26 110.24 2pkk n ASN 126 Ca 0.01 -0.77 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 2pkk n ASN 126 Cb 0.12 0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 2pkk n ASN 126 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pkk s ILE 127 N -2.72 4.40 -0.32 2.41 1.01 -0.48 -5.03 121.20 120.47 2pkk s ILE 127 Ca 0.17 1.97 -0.09 0.00 0.00 0.00 0.00 60.65 62.69 2pkk s ILE 127 Cb 0.18 -4.26 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 2pkk s ILE 127 CO 0.63 0.29 0.15 -0.54 0.00 0.00 0.00 174.94 175.47 2pkk s LYS 128 N 0.06 3.24 0.44 2.79 -0.14 -1.26 -4.96 119.74 119.91 2pkk s LYS 128 Ca 0.48 -0.79 0.12 0.00 -1.36 0.00 0.00 55.97 54.43 2pkk s LYS 128 Cb -0.24 -3.57 1.02 0.00 -1.68 0.00 0.00 37.83 33.36 2pkk s LYS 128 CO 0.31 -0.46 2.04 -0.07 -0.76 0.00 0.00 175.35 176.40 2pkk h LEU 129 N 8.35 0.33 -0.93 3.17 3.38 -1.95 -2.16 115.31 125.50 2pkk h LEU 129 Ca -0.31 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.83 2pkk h LEU 129 Cb 1.14 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 2pkk h LEU 129 CO 0.62 0.22 0.52 0.00 0.09 0.00 0.00 178.44 179.90 2pkk h ALA 130 N 1.76 1.48 -0.24 1.53 0.00 -1.93 0.28 119.26 122.13 2pkk h ALA 130 Ca 0.18 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2pkk h ALA 130 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pkk h ALA 130 CO -0.04 -0.07 -0.36 -0.44 0.00 0.00 0.00 179.25 178.34 2pkk h ASP 131 N 0.70 0.56 -0.17 0.00 3.32 -1.82 0.73 116.42 119.75 2pkk h ASP 131 Ca 0.52 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2pkk h ASP 131 Cb 0.78 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2pkk h ASP 131 CO -0.38 0.87 0.05 0.58 -1.72 0.00 0.00 179.24 178.65 2pkk h VAL 132 N 0.45 1.18 -0.47 -1.35 2.07 -1.20 -2.59 116.25 114.34 2pkk h VAL 132 Ca 0.05 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2pkk h VAL 132 Cb 0.84 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2pkk h VAL 132 CO 0.07 0.18 0.22 0.58 0.02 0.00 0.00 177.57 178.64 2pkk h VAL 133 N 0.10 1.19 -0.78 2.57 2.07 -0.85 -1.56 116.25 118.99 2pkk h VAL 133 Ca 0.05 -0.53 0.18 0.00 0.82 0.00 0.00 66.70 67.22 2pkk h VAL 133 Cb 0.23 0.67 -0.13 0.00 -1.52 0.00 0.00 31.29 30.54 2pkk h VAL 133 CO -0.00 0.21 0.03 -1.28 0.02 0.00 0.00 177.57 176.54 2pkk h SER 134 N 0.62 -0.32 0.45 0.57 0.87 -0.80 0.16 113.55 115.10 2pkk h SER 134 Ca 0.16 0.20 -0.29 0.00 -1.23 0.00 0.00 61.79 60.63 2pkk h SER 134 Cb 0.12 0.34 0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2pkk h SER 134 CO -0.02 -0.18 -1.27 0.00 -0.53 0.00 0.00 176.83 174.83 2pkk h ALA 135 N 1.72 0.05 -0.00 6.23 0.00 -0.96 -3.38 119.26 122.92 2pkk h ALA 135 Ca 0.43 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2pkk h ALA 135 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2pkk h ALA 135 CO -0.67 0.85 0.00 0.44 0.00 0.00 0.00 179.25 179.87 2pkk n ILE 136 N -3.63 0.05 0.00 0.00 -5.35 -0.66 -5.12 119.36 104.65 2pkk n ILE 136 Ca -0.11 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2pkk n ILE 136 Cb 1.02 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.93 2pkk n ILE 136 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pkk n GLY 137 N 0.08 -0.97 3.67 3.28 0.00 0.54 -4.11 105.19 107.68 2pkk n GLY 137 Ca 0.01 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 2pkk n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pkk s LYS 138 N -1.05 4.26 0.61 1.61 1.02 0.29 -4.39 119.74 122.09 2pkk s LYS 138 Ca 0.00 1.72 -0.18 0.00 0.02 0.00 0.00 55.97 57.53 2pkk s LYS 138 Cb 0.00 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 2pkk s LYS 138 CO 0.00 -0.64 1.20 -2.14 -0.92 0.00 0.00 175.35 172.85 2pkk s PRO 139 N 3.14 2.88 0.52 -1.68 0.02 -1.26 0.29 135.00 138.92 2pkk s PRO 139 Ca 0.57 1.80 0.29 0.00 0.02 0.00 0.00 61.00 63.68 2pkk s PRO 139 Cb -0.24 -1.92 1.40 0.00 0.02 0.00 0.00 34.50 33.76 2pkk s PRO 139 CO 0.18 -1.27 2.02 1.05 -0.33 0.00 0.00 177.00 178.65 2pkk h GLU 140 N 0.73 0.00 -2.08 5.54 4.11 -1.22 -3.44 114.58 118.21 2pkk h GLU 140 Ca -0.50 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.88 2pkk h GLU 140 Cb 1.30 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.34 2pkk h GLU 140 CO 0.54 0.11 0.10 -1.17 0.07 0.00 0.00 179.01 178.67 2pkk s LEU 141 N -6.84 -0.61 -0.17 3.06 2.96 -1.24 -4.49 118.68 111.35 2pkk s LEU 141 Ca -0.01 1.27 -0.02 0.00 -0.22 0.00 0.00 54.13 55.15 2pkk s LEU 141 Cb 0.12 2.37 -0.01 0.00 0.50 0.00 0.00 46.19 49.17 2pkk s LEU 141 CO 0.57 -0.30 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.52 2pkk s VAL 142 N 0.11 3.12 -0.15 1.68 1.01 -0.36 -1.50 120.40 124.32 2pkk s VAL 142 Ca -0.02 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 2pkk s VAL 142 Cb -0.04 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2pkk s VAL 142 CO 0.02 0.48 0.60 -0.63 0.00 0.00 0.00 175.10 175.57 2pkk s ILE 143 N 0.93 5.08 -0.96 2.22 1.01 0.09 -1.15 121.20 128.42 2pkk s ILE 143 Ca -0.02 1.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 2pkk s ILE 143 Cb -0.15 -3.93 0.24 0.00 0.01 0.00 0.00 42.46 38.64 2pkk s ILE 143 CO -0.00 0.20 0.92 -0.63 0.00 0.00 0.00 174.94 175.43 2pkk s ILE 144 N 1.30 5.55 0.73 2.92 -1.09 0.03 -0.74 121.20 129.90 2pkk s ILE 144 Ca 0.30 -3.13 -0.06 0.00 -2.23 0.00 0.00 60.65 55.52 2pkk s ILE 144 Cb -0.16 -4.38 0.09 0.00 -1.58 0.00 0.00 42.46 36.43 2pkk s ILE 144 CO 0.12 -1.10 1.03 -0.83 -1.23 0.00 0.00 174.94 172.92 2pkk s GLY 145 N 1.39 1.73 0.15 6.18 0.00 0.01 -1.85 107.32 114.94 2pkk s GLY 145 Ca 0.25 -1.18 -0.33 0.00 0.00 0.00 0.00 44.72 43.46 2pkk s GLY 145 CO -0.09 -0.70 1.13 0.00 0.00 0.00 0.00 173.10 173.44 2pkk n ALA 146 N -2.96 -1.19 -3.38 3.20 0.00 -1.14 -4.43 120.51 110.61 2pkk n ALA 146 Ca 0.10 0.48 -0.01 0.00 0.00 0.00 0.00 53.44 54.02 2pkk n ALA 146 Cb 0.60 -1.98 0.01 0.00 0.00 0.00 0.00 19.45 18.08 2pkk n ALA 146 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pkk n ASN 147 N 2.01 -1.09 -4.69 0.00 2.85 -1.26 -0.89 115.26 112.19 2pkk n ASN 147 Ca 0.16 -1.77 -0.59 0.00 -0.11 0.00 0.00 54.58 52.27 2pkk n ASN 147 Cb 0.23 1.82 -0.08 0.00 1.24 0.00 0.00 39.78 42.99 2pkk n ASN 147 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2pkk n ASP 148 N -1.27 1.83 -0.26 1.20 2.03 -1.26 -4.81 116.55 114.00 2pkk n ASP 148 Ca -0.04 1.11 0.07 0.00 0.52 0.00 0.00 54.79 56.45 2pkk n ASP 148 Cb 0.28 -1.07 0.21 0.00 -0.72 0.00 0.00 41.12 39.82 2pkk n ASP 148 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pkk h PRO 149 N 6.00 0.40 -0.47 -0.67 0.11 -1.97 -0.88 132.00 134.52 2pkk h PRO 149 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2pkk h PRO 149 Cb 1.34 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2pkk h PRO 149 CO 0.92 0.26 0.13 1.49 -0.21 0.00 0.00 178.00 180.59 2pkk h GLU 150 N 0.41 0.75 -1.00 1.05 4.81 -1.97 -2.60 114.58 116.03 2pkk h GLU 150 Ca 0.44 -0.17 0.12 0.00 -0.13 0.00 0.00 59.36 59.61 2pkk h GLU 150 Cb 0.71 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.91 2pkk h GLU 150 CO -0.44 0.72 0.63 0.00 -0.73 0.00 0.00 179.01 179.19 2pkk h ALA 151 N 0.99 1.53 -0.71 2.92 0.00 -1.62 -1.21 119.26 121.16 2pkk h ALA 151 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2pkk h ALA 151 Cb 0.31 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2pkk h ALA 151 CO -0.00 0.23 0.42 0.52 0.00 0.00 0.00 179.25 180.42 2pkk h MET 152 N 0.99 0.77 -0.10 0.00 2.86 -0.80 0.35 114.93 119.01 2pkk h MET 152 Ca 0.49 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.99 2pkk h MET 152 Cb 0.48 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2pkk h MET 152 CO -0.25 0.51 -0.28 0.35 1.06 0.00 0.00 176.91 178.30 2pkk h PHE 153 N 0.79 0.47 -0.94 -0.22 3.57 -1.39 -2.41 116.94 116.82 2pkk h PHE 153 Ca 0.30 -0.18 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2pkk h PHE 153 Cb 0.12 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 2pkk h PHE 153 CO -0.06 0.89 0.60 -0.07 -2.23 0.00 0.00 178.31 177.44 2pkk h LEU 154 N -0.09 0.95 -0.56 0.59 3.38 -1.03 0.18 115.31 118.73 2pkk h LEU 154 Ca -0.01 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2pkk h LEU 154 Cb 0.89 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2pkk h LEU 154 CO 0.06 0.60 -0.17 0.45 0.09 0.00 0.00 178.44 179.47 2pkk h HIS 155 N 1.08 1.10 -0.20 1.13 3.86 -0.94 -0.92 115.15 120.26 2pkk h HIS 155 Ca 0.41 -0.25 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 2pkk h HIS 155 Cb 0.18 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2pkk h HIS 155 CO -0.02 1.05 -0.07 1.15 0.86 0.00 0.00 177.93 180.91 2pkk h THR 156 N 0.85 1.30 -0.99 2.45 2.02 -0.83 -1.33 112.91 116.38 2pkk h THR 156 Ca 0.12 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.27 2pkk h THR 156 Cb 0.74 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.68 2pkk h THR 156 CO 0.06 0.33 0.64 -0.08 0.37 0.00 0.00 175.52 176.84 2pkk h GLU 157 N 0.11 1.12 -0.61 6.66 4.57 -0.55 -0.98 114.58 124.90 2pkk h GLU 157 Ca 0.05 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 2pkk h GLU 157 Cb 0.54 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2pkk h GLU 157 CO 0.02 0.74 0.09 0.93 -1.18 0.00 0.00 179.01 179.62 2pkk h GLU 158 N 1.16 0.99 -0.74 1.92 5.08 -0.86 -0.93 114.58 121.20 2pkk h GLU 158 Ca 0.42 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2pkk h GLU 158 Cb 0.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2pkk h GLU 158 CO -0.16 0.92 0.24 0.00 -1.00 0.00 0.00 179.01 179.01 2pkk h ARG 160 N 1.09 0.98 0.00 0.00 3.08 -0.82 0.81 114.38 119.52 2pkk h ARG 160 Ca 0.24 -0.35 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 2pkk h ARG 160 Cb 0.30 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2pkk h ARG 160 CO -0.01 1.02 -0.87 1.57 -1.07 0.00 0.00 179.97 180.61 2pkk h LYS 161 N 0.85 0.00 -0.00 0.04 2.10 -1.01 -3.14 116.57 115.41 2pkk h LYS 161 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2pkk h LYS 161 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2pkk h LYS 161 CO 0.04 0.82 -0.09 1.28 -2.00 0.00 0.00 179.45 179.49 2pkk n LEU 162 N -3.29 0.45 -1.71 7.07 4.77 0.02 -4.93 117.00 119.38 2pkk n LEU 162 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 2pkk n LEU 162 Cb 0.88 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.80 2pkk n LEU 162 CO 0.45 0.08 -0.10 0.61 -1.33 0.00 0.00 177.39 177.10 2pkk n GLY 163 N 1.26 -0.13 3.80 -0.72 0.00 -0.24 -4.46 105.19 104.69 2pkk n GLY 163 Ca 0.15 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2pkk n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pkk s LEU 164 N -4.04 4.43 0.34 0.99 1.43 0.11 -4.77 118.68 117.17 2pkk s LEU 164 Ca 0.08 0.97 -0.28 0.00 -1.03 0.00 0.00 54.13 53.87 2pkk s LEU 164 Cb -0.04 -2.67 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 2pkk s LEU 164 CO 0.10 0.22 1.28 0.00 0.23 0.00 0.00 176.35 178.19 2pkk s ALA 165 N -0.59 3.44 0.06 4.21 0.00 -1.26 -4.58 121.76 123.04 2pkk s ALA 165 Ca 0.25 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.44 2pkk s ALA 165 Cb -0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2pkk s ALA 165 CO 0.13 -0.62 -0.06 -0.59 0.00 0.00 0.00 175.76 174.62 2pkk s PHE 166 N -1.17 0.68 -0.20 0.00 -0.12 -1.26 -1.22 117.98 114.69 2pkk s PHE 166 Ca 0.50 -0.72 -0.04 0.00 -0.05 0.00 0.00 56.93 56.62 2pkk s PHE 166 Cb -0.39 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.58 2pkk s PHE 166 CO 0.51 -0.16 -0.04 0.00 -0.05 0.00 0.00 175.22 175.48 2pkk s ALA 167 N -2.50 2.85 -0.27 1.99 0.00 -0.30 -0.27 121.76 123.26 2pkk s ALA 167 Ca -0.01 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 2pkk s ALA 167 Cb -0.02 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2pkk s ALA 167 CO -0.03 -0.24 0.90 0.00 0.00 0.00 0.00 175.76 176.39 2pkk s ALA 168 N 1.16 3.59 -0.44 0.00 0.00 0.07 -0.79 121.76 125.36 2pkk s ALA 168 Ca 0.02 -0.16 0.10 0.00 0.00 0.00 0.00 51.96 51.92 2pkk s ALA 168 Cb -0.14 -3.41 0.35 0.00 0.00 0.00 0.00 23.12 19.91 2pkk s ALA 168 CO -0.01 -1.14 0.80 -3.47 0.00 0.00 0.00 175.76 171.95 2pkk n ASP 169 N 6.29 2.00 0.00 0.00 2.03 -0.77 -1.47 116.55 124.62 2pkk n ASP 169 Ca 0.07 -3.22 0.12 0.00 0.52 0.00 0.00 54.79 52.28 2pkk n ASP 169 Cb 0.47 -0.60 0.61 0.00 -0.72 0.00 0.00 41.12 40.89 2pkk n ASP 169 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pkk n PRO 170 N 0.11 0.31 0.00 -0.67 -0.04 -1.26 -2.88 135.00 130.57 2pkk n PRO 170 Ca 0.27 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2pkk n PRO 170 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2pkk n PRO 170 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2pkk n SER 171 N -1.31 0.00 0.16 3.54 7.64 -1.26 -0.29 113.62 122.10 2pkk n SER 171 Ca 0.11 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.11 2pkk n SER 171 Cb 0.21 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 63.98 2pkk n SER 171 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2pkk h GLN 172 N 0.00 0.00 -0.02 1.43 1.08 -1.98 -1.96 115.11 113.66 2pkk h GLN 172 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2pkk h GLN 172 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2pkk h GLN 172 CO 0.00 0.00 -0.17 0.94 -0.95 0.00 0.00 178.83 178.65 2pkk n GLN 173 N -2.31 1.60 -0.08 1.46 -0.06 0.61 -4.56 117.38 114.05 2pkk n GLN 173 Ca 0.00 -1.29 0.06 0.00 -2.00 0.00 0.00 57.00 53.77 2pkk n GLN 173 Cb 0.13 -1.35 0.41 0.00 -4.06 0.00 0.00 30.24 25.37 2pkk n GLN 173 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2pkk h LEU 174 N 2.95 0.53 -0.87 1.69 3.38 -1.26 -0.95 115.31 120.78 2pkk h LEU 174 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2pkk h LEU 174 Cb 0.71 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2pkk h LEU 174 CO 0.00 0.36 0.58 0.00 0.09 0.00 0.00 178.44 179.47 2pkk h ALA 175 N 1.68 1.11 0.06 1.53 0.00 -1.81 -3.16 119.26 118.68 2pkk h ALA 175 Ca 0.23 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 2pkk h ALA 175 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2pkk h ALA 175 CO -0.06 0.49 -1.11 -0.09 0.00 0.00 0.00 179.25 178.48 2pkk h ARG 176 N 1.17 0.15 -6.61 0.00 9.65 -1.52 -3.47 114.38 113.74 2pkk h ARG 176 Ca 0.32 -0.25 -0.51 0.00 -1.10 0.00 0.00 59.98 58.44 2pkk h ARG 176 Cb -0.11 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 2pkk h ARG 176 CO -0.08 1.11 0.38 -0.51 2.80 0.00 0.00 179.97 183.67 2pkk s LEU 177 N -6.99 4.52 0.86 3.80 1.43 -0.74 -5.05 118.68 116.52 2pkk s LEU 177 Ca -0.02 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 2pkk s LEU 177 Cb 0.09 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.82 2pkk s LEU 177 CO 0.85 -0.05 1.09 -0.94 0.23 0.00 0.00 176.35 177.53 2pkk s SER 178 N -0.23 3.77 0.33 2.29 1.04 -1.26 -4.76 113.70 114.88 2pkk s SER 178 Ca 0.46 1.57 0.03 0.00 0.48 0.00 0.00 55.95 58.49 2pkk s SER 178 Cb -0.25 -2.26 0.61 0.00 0.10 0.00 0.00 66.02 64.23 2pkk s SER 178 CO 0.31 -2.46 1.93 1.23 0.98 0.00 0.00 173.24 175.23 2pkk h GLY 179 N -1.43 1.17 0.97 7.32 0.00 -1.96 0.57 103.07 109.72 2pkk h GLY 179 Ca -0.48 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 2pkk h GLY 179 CO 0.54 0.27 0.23 -2.09 0.00 0.00 0.00 176.54 175.49 2pkk h GLU 180 N 0.92 0.56 -0.59 4.80 4.81 -1.92 -0.56 114.58 122.60 2pkk h GLU 180 Ca 0.36 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2pkk h GLU 180 Cb 0.22 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2pkk h GLU 180 CO -0.13 0.45 0.20 0.93 -0.73 0.00 0.00 179.01 179.72 2pkk h GLU 181 N 0.53 0.87 -0.13 1.92 5.08 -1.44 -2.83 114.58 118.58 2pkk h GLU 181 Ca 0.14 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2pkk h GLU 181 Cb 0.04 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2pkk h GLU 181 CO -0.02 0.74 -0.12 0.82 -1.00 0.00 0.00 179.01 179.43 2pkk h ILE 182 N 0.85 1.35 -0.78 3.13 2.04 -0.85 -3.32 117.51 119.93 2pkk h ILE 182 Ca 0.20 -1.27 0.11 0.00 1.00 0.00 0.00 64.86 64.89 2pkk h ILE 182 Cb 0.23 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2pkk h ILE 182 CO -0.01 0.37 0.51 0.03 0.00 0.00 0.00 178.15 179.05 2pkk h ARG 183 N -0.07 0.65 -0.00 2.37 3.08 -0.89 -1.61 114.38 117.92 2pkk h ARG 183 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2pkk h ARG 183 Cb 0.64 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2pkk h ARG 183 CO 0.03 0.43 0.00 2.89 -1.07 0.00 0.00 179.97 182.25 2pkk n ARG 184 N -4.51 1.01 0.00 0.04 1.85 -1.09 -3.25 116.66 110.71 2pkk n ARG 184 Ca 0.13 -0.01 0.09 0.00 -1.00 0.00 0.00 57.85 57.06 2pkk n ARG 184 Cb 0.36 -1.35 -0.07 0.00 -1.05 0.00 0.00 32.46 30.34 2pkk n ARG 184 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2pkk n LEU 185 N -0.84 1.24 -0.11 2.89 4.77 -0.60 -4.72 117.00 119.62 2pkk n LEU 185 Ca 0.17 -0.59 -0.22 0.00 -0.03 0.00 0.00 56.01 55.35 2pkk n LEU 185 Cb 0.08 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 2pkk n LEU 185 CO 0.13 0.27 -1.25 0.52 -1.33 0.00 0.00 177.39 175.73 2pkk n VAL 186 N -0.99 1.55 -1.69 4.08 0.31 -1.20 -4.76 118.33 115.63 2pkk n VAL 186 Ca 0.05 -0.51 -0.44 0.00 -0.01 0.00 0.00 64.34 63.44 2pkk n VAL 186 Cb 0.34 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 2pkk n VAL 186 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2pkk n ASN 187 N -3.61 3.82 0.00 4.52 5.15 -1.26 -1.95 115.26 121.93 2pkk n ASN 187 Ca -0.45 1.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 2pkk n ASN 187 Cb 0.96 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 2pkk n ASN 187 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pkk n GLY 188 N 4.10 0.77 3.72 8.20 0.00 0.17 -5.02 105.19 117.13 2pkk n GLY 188 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2pkk n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkk s ALA 189 N -2.81 3.69 0.26 4.61 0.00 -0.82 -4.75 121.76 121.93 2pkk s ALA 189 Ca 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 2pkk s ALA 189 Cb 0.00 -3.58 0.32 0.00 0.00 0.00 0.00 23.12 19.86 2pkk s ALA 189 CO 0.00 -0.71 1.92 0.00 0.00 0.00 0.00 175.76 176.97 2pkk h ALA 190 N 6.52 1.33 -3.32 0.00 0.00 -0.99 -0.50 119.26 122.28 2pkk h ALA 190 Ca -0.43 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 2pkk h ALA 190 Cb 1.21 -0.38 -0.25 0.00 0.00 0.00 0.00 17.79 18.37 2pkk h ALA 190 CO 0.88 0.60 -0.62 0.71 0.00 0.00 0.00 179.25 180.81 2pkk s TYR 191 N -6.08 -0.01 -0.18 0.00 2.02 -1.22 -2.71 117.35 109.17 2pkk s TYR 191 Ca -0.13 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2pkk s TYR 191 Cb 0.19 -0.02 0.00 0.00 -0.40 0.00 0.00 41.96 41.73 2pkk s TYR 191 CO 0.82 -0.10 -0.14 -1.17 -1.57 0.00 0.00 175.55 173.38 2pkk s LEU 192 N -0.43 2.47 -0.13 -1.29 2.96 -0.01 -0.75 118.68 121.51 2pkk s LEU 192 Ca -0.05 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2pkk s LEU 192 Cb -0.03 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2pkk s LEU 192 CO 0.00 0.03 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.62 2pkk s PHE 193 N 1.14 2.91 0.26 5.38 0.08 -0.54 0.29 117.98 127.49 2pkk s PHE 193 Ca 0.01 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 56.48 2pkk s PHE 193 Cb -0.14 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 2pkk s PHE 193 CO -0.05 -0.07 0.58 0.95 -0.10 0.00 0.00 175.22 176.52 2pkk s THR 194 N 0.22 0.00 0.76 0.64 -4.23 -0.61 -4.42 115.64 108.00 2pkk s THR 194 Ca -0.05 -1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 59.21 2pkk s THR 194 Cb -0.15 -2.10 0.14 0.00 1.34 0.00 0.00 72.50 71.74 2pkk s THR 194 CO 0.04 -0.01 1.04 0.54 -0.54 0.00 0.00 174.62 175.70 2pkk s ASN 195 N -2.97 4.15 0.25 3.99 2.20 -1.26 -1.02 114.94 120.28 2pkk s ASN 195 Ca 0.17 -0.34 0.13 0.00 -0.94 0.00 0.00 52.86 51.88 2pkk s ASN 195 Cb -0.03 0.03 0.14 0.00 -2.00 0.00 0.00 41.25 39.40 2pkk s ASN 195 CO 0.08 -2.00 1.47 -2.24 -2.94 0.00 0.00 177.10 171.47 2pkk h ASP 196 N -0.68 0.00 -0.22 3.54 -0.00 -1.72 -0.10 116.42 117.25 2pkk h ASP 196 Ca -0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 56.65 2pkk h ASP 196 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.58 2pkk h ASP 196 CO 0.39 0.63 0.07 0.22 -0.00 0.00 0.00 179.24 180.55 2pkk h TYR 197 N 0.00 0.34 -0.42 4.15 3.20 -1.96 -1.95 116.97 120.34 2pkk h TYR 197 Ca -0.01 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2pkk h TYR 197 Cb 1.37 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2pkk h TYR 197 CO 0.00 0.40 0.13 0.93 -1.64 0.00 0.00 178.16 177.99 2pkk h GLU 198 N 0.18 0.61 -0.31 1.82 5.08 -1.87 0.11 114.58 120.19 2pkk h GLU 198 Ca 0.07 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2pkk h GLU 198 Cb 0.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2pkk h GLU 198 CO -0.00 0.53 0.11 2.35 -1.00 0.00 0.00 179.01 181.00 2pkk h TRP 199 N 0.60 0.49 -0.72 4.33 2.91 -0.83 0.99 115.95 123.72 2pkk h TRP 199 Ca 0.14 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 2pkk h TRP 199 Cb 0.18 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 2pkk h TRP 199 CO 0.01 0.49 0.43 -0.44 -1.03 0.00 0.00 178.44 177.90 2pkk h ASP 200 N 0.35 0.88 -0.09 2.65 3.32 -0.78 -0.88 116.42 121.88 2pkk h ASP 200 Ca 0.10 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2pkk h ASP 200 Cb 0.22 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2pkk h ASP 200 CO -0.01 0.69 0.05 0.25 -1.72 0.00 0.00 179.24 178.51 2pkk h LEU 201 N 0.99 0.10 -0.05 1.55 5.85 -0.60 0.94 115.31 124.10 2pkk h LEU 201 Ca 0.26 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2pkk h LEU 201 Cb -0.02 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2pkk h LEU 201 CO -0.05 0.11 -0.23 0.25 -0.34 0.00 0.00 178.44 178.18 2pkk h LEU 202 N 0.09 -0.69 -0.88 2.25 6.46 -0.57 0.15 115.31 122.12 2pkk h LEU 202 Ca 0.03 0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2pkk h LEU 202 Cb 0.02 0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2pkk h LEU 202 CO -0.01 -0.29 0.24 -0.07 -0.62 0.00 0.00 178.44 177.70 2pkk h LEU 203 N -0.34 0.99 -0.39 2.25 3.38 -1.09 0.20 115.31 120.31 2pkk h LEU 203 Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pkk h LEU 203 Cb 0.44 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2pkk h LEU 203 CO -0.24 0.91 0.26 -1.28 0.09 0.00 0.00 178.44 178.17 2pkk h SER 204 N 1.03 0.45 0.75 -0.43 0.87 -0.25 -2.36 113.55 113.62 2pkk h SER 204 Ca 0.23 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.53 2pkk h SER 204 Cb 0.25 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2pkk h SER 204 CO -0.01 0.32 -1.34 0.11 -0.53 0.00 0.00 176.83 175.38 2pkk h LYS 205 N 0.53 0.00 0.00 2.24 1.57 -0.37 -3.33 116.57 117.21 2pkk h LYS 205 Ca 0.14 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2pkk h LYS 205 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2pkk h LYS 205 CO -0.03 0.73 -0.46 1.79 -0.57 0.00 0.00 179.45 180.90 2pkk h THR 206 N 0.00 0.91 0.00 -0.16 1.35 -0.62 -3.35 112.91 111.04 2pkk h THR 206 Ca -0.15 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 2pkk h THR 206 Cb 1.88 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 2pkk h THR 206 CO 0.10 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 2pkk n GLY 207 N 0.75 0.68 3.84 5.82 0.00 -0.89 -4.95 105.19 110.44 2pkk n GLY 207 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2pkk n GLY 207 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pkk s TRP 208 N -2.80 3.36 0.34 1.61 0.51 -1.22 -5.05 118.94 115.69 2pkk s TRP 208 Ca 0.00 1.44 0.05 0.00 -2.12 0.00 0.00 56.10 55.47 2pkk s TRP 208 Cb 0.00 -2.83 -0.01 0.00 -0.81 0.00 0.00 33.47 29.82 2pkk s TRP 208 CO 0.00 -0.66 0.49 -1.54 -0.51 0.00 0.00 176.95 174.73 2pkk s SER 209 N -3.28 6.01 0.34 2.95 1.04 -1.26 -4.73 113.70 114.78 2pkk s SER 209 Ca 0.59 -0.05 0.07 0.00 0.48 0.00 0.00 55.95 57.04 2pkk s SER 209 Cb -0.12 -1.40 0.76 0.00 0.10 0.00 0.00 66.02 65.36 2pkk s SER 209 CO 0.39 -0.41 1.86 -0.08 0.98 0.00 0.00 173.24 175.98 2pkk h GLU 210 N 0.85 0.73 -0.62 4.02 4.81 -1.98 -2.03 114.58 120.36 2pkk h GLU 210 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2pkk h GLU 210 Cb 1.25 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2pkk h GLU 210 CO 0.55 0.49 0.26 0.00 -0.73 0.00 0.00 179.01 179.58 2pkk h ALA 211 N 1.59 0.80 -0.99 2.92 0.00 -1.99 -0.18 119.26 121.41 2pkk h ALA 211 Ca 0.46 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.29 2pkk h ALA 211 Cb 0.66 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2pkk h ALA 211 CO -0.22 0.40 0.63 -0.44 0.00 0.00 0.00 179.25 179.63 2pkk h ASP 212 N 0.86 0.98 -0.00 0.00 3.32 -1.76 -2.61 116.42 117.20 2pkk h ASP 212 Ca 0.21 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2pkk h ASP 212 Cb 0.18 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pkk h ASP 212 CO -0.02 0.59 -0.02 0.58 -1.72 0.00 0.00 179.24 178.65 2pkk h VAL 213 N 1.09 1.52 0.00 -1.35 2.07 -1.16 -3.32 116.25 115.11 2pkk h VAL 213 Ca 0.45 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2pkk h VAL 213 Cb 0.28 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2pkk h VAL 213 CO -0.21 0.41 -0.00 0.24 0.02 0.00 0.00 177.57 178.03 2pkk h MET 214 N -0.63 0.00 0.00 1.57 2.86 -0.90 -0.06 114.93 117.77 2pkk h MET 214 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2pkk h MET 214 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2pkk h MET 214 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 2pkk n ALA 215 N -2.36 1.81 0.27 6.32 0.00 -1.00 -3.48 120.51 122.08 2pkk n ALA 215 Ca -0.03 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2pkk n ALA 215 Cb 0.09 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2pkk n ALA 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pkk n GLN 216 N -1.54 5.05 -4.35 0.00 6.02 -0.04 -5.00 117.38 117.51 2pkk n GLN 216 Ca 0.04 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 2pkk n GLN 216 Cb 0.21 -0.78 -0.10 0.00 1.02 0.00 0.00 30.24 30.59 2pkk n GLN 216 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2pkk s ILE 217 N -1.55 1.78 -0.10 5.09 -4.36 -1.19 0.43 121.20 121.29 2pkk s ILE 217 Ca 0.02 -2.17 0.15 0.00 -0.26 0.00 0.00 60.65 58.39 2pkk s ILE 217 Cb 0.04 -2.02 -0.08 0.00 1.25 0.00 0.00 42.46 41.65 2pkk s ILE 217 CO 0.24 -0.54 1.06 0.44 0.24 0.00 0.00 174.94 176.37 2pkk h ASP 218 N 2.66 0.00 -3.27 4.36 3.32 -1.18 -3.43 116.42 118.88 2pkk h ASP 218 Ca -0.39 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.68 2pkk h ASP 218 Cb 1.22 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 2pkk h ASP 218 CO 0.60 0.62 0.13 -0.22 -1.72 0.00 0.00 179.24 178.66 2pkk s LEU 219 N -6.11 -0.79 -0.21 1.55 2.96 -1.10 -4.33 118.68 110.64 2pkk s LEU 219 Ca -0.00 1.36 -0.10 0.00 -0.22 0.00 0.00 54.13 55.17 2pkk s LEU 219 Cb 0.08 2.30 -0.05 0.00 0.50 0.00 0.00 46.19 49.02 2pkk s LEU 219 CO 0.79 -0.22 0.13 -0.60 -1.32 0.00 0.00 176.35 175.13 2pkk s ARG 220 N 1.10 4.14 -0.21 1.98 3.52 -0.33 -0.83 118.95 128.32 2pkk s ARG 220 Ca -0.06 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 2pkk s ARG 220 Cb -0.05 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2pkk s ARG 220 CO -0.12 0.24 -0.16 0.08 -0.81 0.00 0.00 175.30 174.53 2pkk s VAL 221 N 0.53 2.07 -0.27 7.11 1.01 0.14 -0.80 120.40 130.20 2pkk s VAL 221 Ca 0.07 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2pkk s VAL 221 Cb -0.12 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.32 2pkk s VAL 221 CO -0.00 0.28 -0.01 -0.89 0.00 0.00 0.00 175.10 174.48 2pkk s THR 222 N 1.22 1.59 0.44 3.92 2.01 -0.47 -1.57 115.64 122.79 2pkk s THR 222 Ca -0.01 -1.50 -0.23 0.00 0.31 0.00 0.00 61.69 60.26 2pkk s THR 222 Cb -0.16 -1.98 -0.08 0.00 0.01 0.00 0.00 72.50 70.29 2pkk s THR 222 CO -0.09 -0.31 1.08 0.42 -0.69 0.00 0.00 174.62 175.03 2pkk s THR 223 N 1.32 3.53 -0.18 -0.82 -4.23 -0.19 -1.75 115.64 113.33 2pkk s THR 223 Ca 0.00 1.11 0.13 0.00 -1.18 0.00 0.00 61.69 61.76 2pkk s THR 223 Cb -0.19 -3.54 0.42 0.00 1.34 0.00 0.00 72.50 70.53 2pkk s THR 223 CO -0.10 -0.05 1.21 0.18 -0.54 0.00 0.00 174.62 175.32 2pkk n LEU 224 N -0.42 2.44 0.00 4.79 4.77 0.18 -1.95 117.00 126.81 2pkk n LEU 224 Ca 0.07 -3.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.45 2pkk n LEU 224 Cb 0.50 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2pkk n LEU 224 CO 0.45 1.25 0.00 0.61 -1.33 0.00 0.00 177.39 178.37 2pkk n GLY 225 N -0.88 3.77 0.00 -0.72 0.00 -1.26 -1.83 105.19 104.27 2pkk n GLY 225 Ca 0.17 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2pkk n GLY 225 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pkk n PRO 226 N 14.00 0.02 -0.04 1.61 -0.04 -1.26 -2.25 135.00 147.04 2pkk n PRO 226 Ca 0.00 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2pkk n PRO 226 Cb 0.00 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.42 2pkk n PRO 226 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2pkk n LYS 227 N -1.49 1.65 0.00 0.54 4.81 -0.76 -4.50 118.16 118.42 2pkk n LYS 227 Ca 0.05 -0.96 0.00 0.00 -0.87 0.00 0.00 58.31 56.53 2pkk n LYS 227 Cb 0.21 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.83 2pkk n LYS 227 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkk n GLY 228 N 1.13 0.89 3.32 3.14 0.00 -0.95 -4.62 105.19 108.10 2pkk n GLY 228 Ca 0.17 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 2pkk n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pkk s VAL 229 N 0.00 0.01 -0.17 1.61 0.11 0.95 0.50 120.40 123.40 2pkk s VAL 229 Ca 0.00 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 2pkk s VAL 229 Cb 0.00 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2pkk s VAL 229 CO 0.00 -0.03 0.08 -1.81 -3.33 0.00 0.00 175.10 170.01 2pkk s ASP 230 N 0.02 5.83 -0.24 3.54 1.01 -0.72 -1.04 116.67 125.06 2pkk s ASP 230 Ca -0.02 0.16 -0.02 0.00 0.71 0.00 0.00 52.55 53.38 2pkk s ASP 230 Cb -0.03 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 41.94 2pkk s ASP 230 CO 0.01 0.21 -0.06 -0.76 0.21 0.00 0.00 175.17 174.78 2pkk s LEU 231 N 0.14 3.07 -0.12 1.23 1.02 0.12 -1.37 118.68 122.78 2pkk s LEU 231 Ca 0.06 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.48 2pkk s LEU 231 Cb -0.12 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.43 2pkk s LEU 231 CO 0.00 -0.10 -0.21 -0.69 0.02 0.00 0.00 176.35 175.37 2pkk s VAL 232 N 1.36 1.95 0.47 -1.59 1.01 0.02 -0.19 120.40 123.43 2pkk s VAL 232 Ca 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2pkk s VAL 232 Cb -0.16 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2pkk s VAL 232 CO -0.05 0.53 0.73 -1.61 0.00 0.00 0.00 175.10 174.71 2pkk s GLU 233 N 0.66 3.28 0.66 2.72 2.02 0.30 -1.19 118.70 127.16 2pkk s GLU 233 Ca -0.12 -0.12 0.31 0.00 0.02 0.00 0.00 54.97 55.06 2pkk s GLU 233 Cb -0.16 -2.46 1.69 0.00 0.10 0.00 0.00 34.13 33.30 2pkk s GLU 233 CO 0.02 -0.25 1.96 -1.35 0.02 0.00 0.00 175.26 175.66 2pkk h PRO 234 N 0.29 0.00 -0.44 0.39 0.11 -1.81 -3.32 132.00 127.22 2pkk h PRO 234 Ca -0.47 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.73 2pkk h PRO 234 Cb 1.23 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 2pkk h PRO 234 CO 0.60 0.00 -0.18 -0.44 -0.21 0.00 0.00 178.00 177.77 2pkk h ASP 235 N 0.00 -0.64 -4.01 -2.05 5.19 -1.93 -3.46 116.42 109.52 2pkk h ASP 235 Ca 0.02 0.16 -0.73 0.00 -0.62 0.00 0.00 57.03 55.86 2pkk h ASP 235 Cb 0.64 0.36 -0.32 0.00 0.18 0.00 0.00 39.33 40.19 2pkk h ASP 235 CO -0.00 -0.22 -0.18 -0.83 -3.12 0.00 0.00 179.24 174.89 2pkk s GLY 236 N -3.11 2.62 0.06 2.75 0.00 -1.25 -5.15 107.32 103.25 2pkk s GLY 236 Ca -0.14 -3.35 -0.36 0.00 0.00 0.00 0.00 44.72 40.87 2pkk s GLY 236 CO 0.71 1.16 1.47 2.41 0.00 0.00 0.00 173.10 178.84 2pkk n THR 237 N 3.53 0.06 -4.78 0.90 -1.04 -1.26 -4.64 114.28 107.05 2pkk n THR 237 Ca 0.11 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.79 2pkk n THR 237 Cb 0.41 -1.09 -0.16 0.00 -1.82 0.00 0.00 70.33 67.66 2pkk n THR 237 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2pkk s THR 238 N 1.05 2.26 -0.17 12.58 2.01 -1.26 -0.54 115.64 131.57 2pkk s THR 238 Ca 0.85 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 2pkk s THR 238 Cb -0.88 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2pkk s THR 238 CO 0.46 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 174.35 2pkk s ILE 239 N 0.67 4.61 -0.06 1.82 1.01 0.74 -4.95 121.20 125.04 2pkk s ILE 239 Ca -0.10 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2pkk s ILE 239 Cb -0.16 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 2pkk s ILE 239 CO 0.02 0.47 -0.18 -2.28 0.00 0.00 0.00 174.94 172.97 2pkk s HIS 240 N 0.32 2.61 -0.09 3.97 2.46 -1.26 0.14 115.29 123.44 2pkk s HIS 240 Ca 0.02 -0.40 0.01 0.00 0.47 0.00 0.00 55.06 55.16 2pkk s HIS 240 Cb -0.13 -1.64 0.02 0.00 -0.13 0.00 0.00 32.58 30.70 2pkk s HIS 240 CO 0.01 0.00 -0.10 0.08 -2.47 0.00 0.00 174.74 172.26 2pkk s VAL 241 N -0.42 1.07 0.67 0.89 1.01 -0.21 -4.99 120.40 118.42 2pkk s VAL 241 Ca 0.04 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 2pkk s VAL 241 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2pkk s VAL 241 CO 0.02 0.36 1.04 -0.83 0.00 0.00 0.00 175.10 175.69 2pkk s GLY 242 N 1.17 1.62 0.89 4.51 0.00 -1.26 -0.04 107.32 114.22 2pkk s GLY 242 Ca -0.05 -0.37 -0.10 0.00 0.00 0.00 0.00 44.72 44.19 2pkk s GLY 242 CO -0.02 -0.04 1.12 -1.34 0.00 0.00 0.00 173.10 172.82 2pkk s VAL 243 N -3.25 2.43 -0.23 1.40 -7.23 -1.26 -4.83 120.40 107.43 2pkk s VAL 243 Ca 0.57 0.14 -0.24 0.00 -1.81 0.00 0.00 61.98 60.63 2pkk s VAL 243 Cb -0.11 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2pkk s VAL 243 CO 0.51 -0.18 0.81 -0.69 -0.31 0.00 0.00 175.10 175.23 2pkk s VAL 244 N -2.72 4.86 0.24 1.32 1.01 -1.26 -5.02 120.40 118.82 2pkk s VAL 244 Ca 0.65 1.54 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 2pkk s VAL 244 Cb -0.21 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 31.94 2pkk s VAL 244 CO 0.58 -0.04 1.50 -2.65 0.00 0.00 0.00 175.10 174.49 2pkk n PRO 245 N 5.82 2.26 -3.21 2.72 -0.02 -1.26 -4.86 135.00 136.45 2pkk n PRO 245 Ca 0.05 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 62.03 2pkk n PRO 245 Cb 0.48 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 2pkk n PRO 245 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2pkk s GLU 246 N -0.13 3.79 0.05 -0.52 1.03 -1.26 -4.99 118.70 116.67 2pkk s GLU 246 Ca 0.69 0.33 0.22 0.00 0.03 0.00 0.00 54.97 56.25 2pkk s GLU 246 Cb -0.61 -2.54 -0.16 0.00 -0.80 0.00 0.00 34.13 30.02 2pkk s GLU 246 CO 0.46 0.18 0.77 0.25 -1.33 0.00 0.00 175.26 175.60 2pkk n THR 247 N -0.65 0.20 -3.69 1.83 -2.24 -1.26 -4.96 114.28 103.51 2pkk n THR 247 Ca 0.01 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2pkk n THR 247 Cb 0.53 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 2pkk n THR 247 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pkk s SER 248 N -4.53 -0.22 -0.73 3.42 1.04 -1.26 -5.07 113.70 106.35 2pkk s SER 248 Ca -0.03 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 2pkk s SER 248 Cb 0.13 0.41 0.19 0.00 0.10 0.00 0.00 66.02 66.84 2pkk s SER 248 CO 0.85 -0.67 0.58 -1.10 0.98 0.00 0.00 173.24 173.89 2pkk s GLN 249 N -2.65 2.92 -0.10 4.02 -0.21 -1.26 -4.45 119.66 117.93 2pkk s GLN 249 Ca -0.04 -2.73 -0.02 0.00 0.02 0.00 0.00 55.36 52.59 2pkk s GLN 249 Cb -0.00 -3.90 -0.01 0.00 1.00 0.00 0.00 33.01 30.10 2pkk s GLN 249 CO -0.04 -1.21 0.01 1.15 -2.12 0.00 0.00 175.29 173.08 2pkk h THR 250 N 4.87 0.05 -1.80 -0.19 2.02 -1.54 -3.49 112.91 112.83 2pkk h THR 250 Ca 0.05 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.25 2pkk h THR 250 Cb 0.93 0.10 -0.21 0.00 -1.74 0.00 0.00 68.15 67.22 2pkk h THR 250 CO 0.76 0.02 -0.20 -0.62 0.37 0.00 0.00 175.52 175.84 2pkk s ASP 251 N -5.58 -1.07 0.00 4.18 2.15 -0.88 -4.98 116.67 110.49 2pkk s ASP 251 Ca -0.02 1.30 0.28 0.00 0.43 0.00 0.00 52.55 54.54 2pkk s ASP 251 Cb 0.00 2.14 1.10 0.00 -0.30 0.00 0.00 42.92 45.86 2pkk s ASP 251 CO 0.04 -0.23 1.78 -0.81 -0.17 0.00 0.00 175.17 175.77 2pkk n PRO 252 N 5.44 1.17 -1.68 4.34 -0.04 -1.26 -4.18 135.00 138.79 2pkk n PRO 252 Ca -0.09 -0.58 -0.46 0.00 -0.04 0.00 0.00 63.50 62.34 2pkk n PRO 252 Cb 0.50 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2pkk n PRO 252 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2pkk n THR 253 N -0.41 0.17 -0.80 0.52 -1.04 -1.26 -2.17 114.28 109.29 2pkk n THR 253 Ca 0.17 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2pkk n THR 253 Cb 0.31 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 2pkk n THR 253 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pkk n GLY 254 N 3.78 0.79 0.17 3.41 0.00 -1.26 -4.41 105.19 107.67 2pkk n GLY 254 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2pkk n GLY 254 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pkk h VAL 255 N 0.00 1.23 -0.82 1.61 2.07 -1.75 -1.24 116.25 117.35 2pkk h VAL 255 Ca 0.00 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.74 2pkk h VAL 255 Cb 0.00 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2pkk h VAL 255 CO 0.00 0.26 0.54 1.23 0.02 0.00 0.00 177.57 179.62 2pkk h GLY 256 N 0.33 1.18 0.99 2.17 0.00 -1.92 -0.65 103.07 105.17 2pkk h GLY 256 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2pkk h GLY 256 CO 0.01 0.39 0.31 -0.55 0.00 0.00 0.00 176.54 176.69 2pkk h ASP 257 N 1.08 0.71 -0.32 0.19 3.32 -1.89 -1.53 116.42 117.98 2pkk h ASP 257 Ca 0.32 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 2pkk h ASP 257 Cb -0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2pkk h ASP 257 CO -0.09 0.59 0.01 0.00 -1.72 0.00 0.00 179.24 178.03 2pkk h ALA 258 N 1.14 0.43 -0.16 3.45 0.00 -0.97 -1.48 119.26 121.68 2pkk h ALA 258 Ca 0.20 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pkk h ALA 258 Cb 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2pkk h ALA 258 CO -0.03 0.18 -0.16 0.35 0.00 0.00 0.00 179.25 179.59 2pkk h PHE 259 N 0.37 -0.40 -0.65 0.00 3.57 -0.89 -0.94 116.94 118.01 2pkk h PHE 259 Ca 0.09 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.70 2pkk h PHE 259 Cb 0.43 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 2pkk h PHE 259 CO 0.03 -0.23 0.29 0.00 -2.23 0.00 0.00 178.31 176.18 2pkk h ARG 260 N -0.18 0.50 -0.23 1.11 3.08 -1.12 0.13 114.38 117.67 2pkk h ARG 260 Ca 0.10 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2pkk h ARG 260 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2pkk h ARG 260 CO -0.26 0.33 0.02 0.00 -1.07 0.00 0.00 179.97 178.98 2pkk h ALA 261 N 1.40 0.30 -0.08 0.04 0.00 -0.98 -0.25 119.26 119.70 2pkk h ALA 261 Ca 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pkk h ALA 261 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pkk h ALA 261 CO -0.27 0.01 0.04 0.78 0.00 0.00 0.00 179.25 179.81 2pkk h GLY 262 N 0.17 0.12 0.63 0.00 0.00 -0.90 0.10 103.07 103.19 2pkk h GLY 262 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2pkk h GLY 262 CO 0.01 0.05 -0.19 -2.75 0.00 0.00 0.00 176.54 173.66 2pkk h PHE 263 N 0.00 -0.51 -0.49 5.60 3.57 -0.73 0.12 116.94 124.51 2pkk h PHE 263 Ca 0.03 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2pkk h PHE 263 Cb 0.11 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2pkk h PHE 263 CO -0.03 -0.28 0.10 -0.07 -2.23 0.00 0.00 178.31 175.79 2pkk h LEU 264 N -0.35 0.69 -0.74 0.59 3.38 -1.02 0.53 115.31 118.38 2pkk h LEU 264 Ca 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2pkk h LEU 264 Cb 0.39 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2pkk h LEU 264 CO -0.13 0.70 0.42 0.74 0.09 0.00 0.00 178.44 180.27 2pkk h THR 265 N 0.72 1.22 -0.50 0.22 2.02 -0.68 0.40 112.91 116.31 2pkk h THR 265 Ca 0.16 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2pkk h THR 265 Cb 0.30 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2pkk h THR 265 CO 0.00 0.24 0.28 1.23 0.37 0.00 0.00 175.52 177.64 2pkk h GLY 266 N 1.02 0.73 1.17 2.16 0.00 0.33 -2.63 103.07 105.86 2pkk h GLY 266 Ca 0.26 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 2pkk h GLY 266 CO -0.05 0.31 -0.08 3.21 0.00 0.00 0.00 176.54 179.94 2pkk h ARG 267 N 0.66 0.98 -0.04 4.80 2.47 -0.48 -1.86 114.38 120.91 2pkk h ARG 267 Ca 0.18 -0.34 -0.04 0.00 -1.26 0.00 0.00 59.98 58.51 2pkk h ARG 267 Cb 0.03 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2pkk h ARG 267 CO -0.03 1.01 -0.18 1.03 0.56 0.00 0.00 179.97 182.36 2pkk h SER 268 N 0.88 0.06 -0.39 7.04 0.87 -0.77 -2.26 113.55 118.99 2pkk h SER 268 Ca 0.15 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2pkk h SER 268 Cb 0.62 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2pkk h SER 268 CO 0.04 0.26 0.00 0.00 -0.53 0.00 0.00 176.83 176.60 2pkk n ALA 269 N -2.50 2.75 -0.99 6.23 0.00 -0.96 -4.92 120.51 120.13 2pkk n ALA 269 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2pkk n ALA 269 Cb 0.27 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2pkk n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkk n GLY 270 N 0.88 0.60 3.78 0.00 0.00 -0.85 -5.03 105.19 104.56 2pkk n GLY 270 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2pkk n GLY 270 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pkk s LEU 271 N 0.00 3.48 0.00 0.99 1.43 -0.74 -5.02 118.68 118.81 2pkk s LEU 271 Ca 0.00 2.00 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 2pkk s LEU 271 Cb 0.00 -4.55 0.20 0.00 0.03 0.00 0.00 46.19 41.87 2pkk s LEU 271 CO 0.00 -1.46 1.17 0.61 0.23 0.00 0.00 176.35 176.90 2pkk n GLY 272 N -0.48 -1.54 0.14 -3.19 0.00 -1.26 -4.49 105.19 94.37 2pkk n GLY 272 Ca 0.10 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 2pkk n GLY 272 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pkk h LEU 273 N 0.00 0.37 -0.20 0.99 3.38 -1.98 -0.61 115.31 117.26 2pkk h LEU 273 Ca -0.38 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2pkk h LEU 273 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2pkk h LEU 273 CO 0.27 0.49 0.13 -0.08 0.09 0.00 0.00 178.44 179.34 2pkk h GLU 274 N 0.24 0.27 -0.09 1.13 4.81 -1.96 -1.86 114.58 117.12 2pkk h GLU 274 Ca 0.08 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 2pkk h GLU 274 Cb 0.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2pkk h GLU 274 CO -0.00 0.19 -0.42 0.00 -0.73 0.00 0.00 179.01 178.05 2pkk h ARG 275 N 0.27 0.19 -0.38 1.92 2.47 -1.89 -2.00 114.38 114.95 2pkk h ARG 275 Ca 0.07 -0.09 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 2pkk h ARG 275 Cb -0.02 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2pkk h ARG 275 CO -0.02 0.59 -0.26 0.77 0.56 0.00 0.00 179.97 181.61 2pkk h SER 276 N 0.16 0.89 0.56 7.04 0.02 -0.96 -2.26 113.55 119.00 2pkk h SER 276 Ca 0.01 -0.43 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 2pkk h SER 276 Cb 0.82 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2pkk h SER 276 CO 0.06 1.13 -0.34 0.00 -1.14 0.00 0.00 176.83 176.54 2pkk h ALA 277 N 0.79 1.19 -0.16 3.77 0.00 -1.12 -0.28 119.26 123.45 2pkk h ALA 277 Ca 0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2pkk h ALA 277 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2pkk h ALA 277 CO 0.07 0.43 -0.09 1.96 0.00 0.00 0.00 179.25 181.62 2pkk h GLN 278 N 0.00 0.34 -0.36 0.00 4.20 -1.21 -0.72 115.11 117.36 2pkk h GLN 278 Ca -0.00 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.56 2pkk h GLN 278 Cb 0.72 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2pkk h GLN 278 CO 0.04 0.67 0.22 1.25 -0.67 0.00 0.00 178.83 180.35 2pkk h LEU 279 N -0.00 0.37 -0.80 1.46 5.85 -1.31 -2.78 115.31 118.11 2pkk h LEU 279 Ca 0.03 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.86 2pkk h LEU 279 Cb 0.58 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 2pkk h LEU 279 CO 0.03 0.27 0.42 1.23 -0.34 0.00 0.00 178.44 180.04 2pkk h GLY 280 N 0.45 1.24 2.00 3.75 0.00 -0.99 -2.36 103.07 107.16 2pkk h GLY 280 Ca 0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2pkk h GLY 280 CO -0.05 0.05 -0.29 1.76 0.00 0.00 0.00 176.54 178.01 2pkk h SER 281 N 0.67 0.00 0.11 0.19 0.02 -0.89 -0.09 113.55 113.56 2pkk h SER 281 Ca 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 2pkk h SER 281 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2pkk h SER 281 CO -0.30 0.29 -0.05 0.25 -1.14 0.00 0.00 176.83 175.88 2pkk h LEU 282 N 0.00 -0.12 -0.84 5.07 5.85 -1.17 -2.14 115.31 121.96 2pkk h LEU 282 Ca -0.00 -0.45 0.12 0.00 0.84 0.00 0.00 57.88 58.39 2pkk h LEU 282 Cb 0.57 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 2pkk h LEU 282 CO 0.04 0.48 0.46 0.58 -0.34 0.00 0.00 178.44 179.66 2pkk h VAL 283 N -0.84 0.82 -0.22 1.05 2.07 -1.31 -1.96 116.25 115.86 2pkk h VAL 283 Ca -0.01 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2pkk h VAL 283 Cb 0.56 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2pkk h VAL 283 CO 0.02 0.13 -0.09 0.00 0.02 0.00 0.00 177.57 177.66 2pkk h ALA 284 N 1.51 0.10 -0.10 1.67 0.00 -1.04 -1.97 119.26 119.43 2pkk h ALA 284 Ca 0.43 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 2pkk h ALA 284 Cb 0.51 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pkk h ALA 284 CO -0.30 -0.51 -0.44 -0.24 0.00 0.00 0.00 179.25 177.76 2pkk h VAL 285 N -0.06 1.32 -0.78 0.00 3.04 -0.78 -1.59 116.25 117.40 2pkk h VAL 285 Ca 0.11 -1.59 0.02 0.00 -1.01 0.00 0.00 66.70 64.23 2pkk h VAL 285 Cb 0.23 1.74 -0.04 0.00 -2.01 0.00 0.00 31.29 31.21 2pkk h VAL 285 CO -0.26 0.47 0.52 -0.07 -1.01 0.00 0.00 177.57 177.22 2pkk h LEU 286 N 0.19 0.87 -0.30 3.16 3.38 -1.07 -0.66 115.31 120.88 2pkk h LEU 286 Ca 0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2pkk h LEU 286 Cb 0.86 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2pkk h LEU 286 CO 0.07 0.61 -0.42 0.58 0.09 0.00 0.00 178.44 179.37 2pkk h VAL 287 N 1.01 1.29 -0.15 1.22 2.07 -0.95 -3.08 116.25 117.65 2pkk h VAL 287 Ca 0.30 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2pkk h VAL 287 Cb -0.04 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2pkk h VAL 287 CO -0.08 0.52 0.06 0.25 0.02 0.00 0.00 177.57 178.34 2pkk h LEU 288 N 0.57 0.19 -0.22 2.57 5.85 -0.64 -2.23 115.31 121.40 2pkk h LEU 288 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2pkk h LEU 288 Cb 1.02 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2pkk h LEU 288 CO 0.10 0.18 -0.23 -0.62 -0.34 0.00 0.00 178.44 177.52 2pkk n GLU 289 N -4.47 0.47 -4.47 1.25 1.02 -0.31 -1.44 120.64 112.68 2pkk n GLU 289 Ca -0.01 -0.22 -0.24 0.00 -0.02 0.00 0.00 57.16 56.67 2pkk n GLU 289 Cb 0.11 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 2pkk n GLU 289 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2pkk s SER 290 N -2.68 3.70 -0.20 1.62 1.04 -0.84 -4.75 113.70 111.60 2pkk s SER 290 Ca 0.21 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.46 2pkk s SER 290 Cb 0.19 -0.35 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 2pkk s SER 290 CO 0.55 -0.02 0.32 0.28 0.98 0.00 0.00 173.24 175.34 2pkk s THR 291 N -2.52 5.26 0.00 2.02 -1.32 -1.26 -4.03 115.64 113.79 2pkk s THR 291 Ca 0.31 0.55 0.00 0.00 -1.21 0.00 0.00 61.69 61.33 2pkk s THR 291 Cb -0.03 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2pkk s THR 291 CO 0.16 0.31 0.00 0.61 -2.21 0.00 0.00 174.62 173.49 2pkk n GLY 292 N 3.86 1.22 0.01 6.08 0.00 -1.26 -4.60 105.19 110.51 2pkk n GLY 292 Ca -0.11 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.03 2pkk n GLY 292 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pkk n THR 293 N 1.83 0.00 -1.71 2.61 -2.24 -1.26 -4.39 114.28 109.13 2pkk n THR 293 Ca 0.00 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.40 2pkk n THR 293 Cb 0.00 0.14 0.09 0.00 -2.10 0.00 0.00 70.33 68.46 2pkk n THR 293 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkk n GLN 294 N -2.15 0.72 -0.34 -0.78 6.02 -1.26 -4.73 117.38 114.86 2pkk n GLN 294 Ca -0.03 -2.14 0.08 0.00 -0.01 0.00 0.00 57.00 54.91 2pkk n GLN 294 Cb 0.54 -0.95 0.25 0.00 1.02 0.00 0.00 30.24 31.09 2pkk n GLN 294 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2pkk n GLU 295 N -0.60 2.99 -2.85 -1.09 -0.58 -1.26 -4.96 120.64 112.29 2pkk n GLU 295 Ca 0.10 -2.46 -0.27 0.00 -0.42 0.00 0.00 57.16 54.11 2pkk n GLU 295 Cb 0.76 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 30.10 2pkk n GLU 295 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 2pkk s TRP 296 N -1.31 3.54 0.22 -0.32 1.48 -1.26 -4.87 118.94 116.41 2pkk s TRP 296 Ca 0.38 0.73 0.10 0.00 -1.06 0.00 0.00 56.10 56.25 2pkk s TRP 296 Cb 0.22 -2.22 -0.04 0.00 -1.16 0.00 0.00 33.47 30.26 2pkk s TRP 296 CO 0.22 -0.15 -0.13 -0.65 -4.06 0.00 0.00 176.95 172.18 2pkk s GLN 297 N -4.49 1.92 -0.44 3.25 -0.21 -1.26 -5.11 119.66 113.32 2pkk s GLN 297 Ca 0.46 -1.46 -0.02 0.00 0.02 0.00 0.00 55.36 54.36 2pkk s GLN 297 Cb -0.10 -2.01 0.12 0.00 1.00 0.00 0.00 33.01 32.01 2pkk s GLN 297 CO 0.41 0.39 0.23 -0.46 -2.12 0.00 0.00 175.29 173.74 2pkk s TRP 298 N -2.02 3.56 -0.35 0.91 -0.11 -1.26 -5.06 118.94 114.61 2pkk s TRP 298 Ca 0.27 -2.58 -0.11 0.00 1.22 0.00 0.00 56.10 54.89 2pkk s TRP 298 Cb -0.07 -3.17 0.01 0.00 -1.50 0.00 0.00 33.47 28.74 2pkk s TRP 298 CO 0.15 -0.94 0.20 0.34 -4.62 0.00 0.00 176.95 172.09 2pkk s ASP 299 N 1.41 5.76 0.24 5.86 -1.08 -1.26 -4.99 116.67 122.62 2pkk s ASP 299 Ca 0.11 -0.75 -0.05 0.00 -0.52 0.00 0.00 52.55 51.34 2pkk s ASP 299 Cb -0.22 -2.05 0.37 0.00 -1.46 0.00 0.00 42.92 39.56 2pkk s ASP 299 CO -0.04 -0.31 1.83 0.22 0.52 0.00 0.00 175.17 177.39 2pkk h TYR 300 N 8.44 0.95 -0.23 -5.34 3.20 -1.99 0.14 116.97 122.13 2pkk h TYR 300 Ca -0.29 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.46 2pkk h TYR 300 Cb 1.13 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2pkk h TYR 300 CO 0.60 0.44 -0.45 0.93 -1.64 0.00 0.00 178.16 178.04 2pkk h GLU 301 N 0.90 0.72 -0.49 1.82 4.39 -2.01 -2.91 114.58 117.01 2pkk h GLU 301 Ca 0.39 -0.46 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2pkk h GLU 301 Cb 0.26 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2pkk h GLU 301 CO -0.21 1.08 0.16 0.00 -1.16 0.00 0.00 179.01 178.89 2pkk h ALA 302 N 0.63 1.37 -0.28 3.43 0.00 -1.86 -2.69 119.26 119.86 2pkk h ALA 302 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pkk h ALA 302 Cb 1.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2pkk h ALA 302 CO 0.10 0.46 0.13 0.00 0.00 0.00 0.00 179.25 179.95 2pkk h ALA 303 N 1.48 0.36 -0.49 0.00 0.00 -0.95 -2.00 119.26 117.65 2pkk h ALA 303 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2pkk h ALA 303 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2pkk h ALA 303 CO -0.01 -0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.39 2pkk h ALA 304 N 0.98 0.64 -0.44 0.00 0.00 -1.34 -1.06 119.26 118.05 2pkk h ALA 304 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pkk h ALA 304 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2pkk h ALA 304 CO -0.01 0.23 0.25 1.03 0.00 0.00 0.00 179.25 180.75 2pkk h SER 305 N 0.65 0.54 -0.54 0.00 0.87 -1.46 -0.65 113.55 112.97 2pkk h SER 305 Ca 0.17 -0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2pkk h SER 305 Cb 0.17 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2pkk h SER 305 CO -0.02 0.46 -0.06 0.03 -0.53 0.00 0.00 176.83 176.71 2pkk h ARG 306 N 0.58 1.00 -0.54 2.24 3.08 -1.18 -1.28 114.38 118.28 2pkk h ARG 306 Ca 0.16 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 2pkk h ARG 306 Cb 0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2pkk h ARG 306 CO -0.03 1.03 0.11 -0.07 -1.07 0.00 0.00 179.97 179.94 2pkk h LEU 307 N 0.87 0.84 -0.23 3.04 3.38 -1.06 -2.04 115.31 120.10 2pkk h LEU 307 Ca 0.14 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2pkk h LEU 307 Cb 0.62 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2pkk h LEU 307 CO 0.04 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.44 2pkk h ALA 308 N 1.00 0.20 -0.95 1.53 0.00 -1.05 0.11 119.26 120.10 2pkk h ALA 308 Ca 0.17 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2pkk h ALA 308 Cb 0.37 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2pkk h ALA 308 CO 0.01 -0.42 0.62 0.78 0.00 0.00 0.00 179.25 180.23 2pkk h GLY 309 N 0.07 1.43 0.55 0.00 0.00 -0.85 0.15 103.07 104.43 2pkk h GLY 309 Ca 0.11 -0.43 -0.33 0.00 0.00 0.00 0.00 47.33 46.68 2pkk h GLY 309 CO -0.18 0.29 -2.01 0.00 0.00 0.00 0.00 176.54 174.63 2pkk n ALA 310 N -2.38 1.45 -0.05 3.60 0.00 -0.80 -4.63 120.51 117.69 2pkk n ALA 310 Ca 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2pkk n ALA 310 Cb 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2pkk n ALA 310 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pkk n TYR 311 N -2.98 0.00 0.00 0.00 4.01 0.37 -5.06 117.16 113.50 2pkk n TYR 311 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2pkk n TYR 311 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 2pkk n TYR 311 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pkk n GLY 312 N 0.60 -0.15 0.24 2.72 0.00 0.51 -4.54 105.19 104.58 2pkk n GLY 312 Ca 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 2pkk n GLY 312 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pkk h GLU 313 N 0.00 0.38 0.38 1.61 5.08 -1.89 -2.76 114.58 117.38 2pkk h GLU 313 Ca 0.00 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2pkk h GLU 313 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2pkk h GLU 313 CO 0.00 0.58 -0.18 1.25 -1.00 0.00 0.00 179.01 179.66 2pkk h HIS 314 N 0.35 -0.47 -0.30 4.33 2.76 -1.96 -2.69 115.15 117.17 2pkk h HIS 314 Ca 0.06 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 2pkk h HIS 314 Cb 0.57 0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.60 2pkk h HIS 314 CO 0.01 -0.16 -0.44 0.00 -1.30 0.00 0.00 177.93 176.05 2pkk h ALA 315 N -0.31 -0.53 -0.69 5.26 0.00 -1.77 -1.44 119.26 119.78 2pkk h ALA 315 Ca -0.05 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2pkk h ALA 315 Cb 0.53 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 2pkk h ALA 315 CO 0.09 -0.91 0.25 0.00 0.00 0.00 0.00 179.25 178.67 2pkk h ALA 316 N 0.26 0.93 -0.14 0.00 0.00 -1.54 -0.90 119.26 117.86 2pkk h ALA 316 Ca 0.11 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 2pkk h ALA 316 Cb 0.60 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2pkk h ALA 316 CO -0.51 -0.22 -0.71 0.00 0.00 0.00 0.00 179.25 177.81 2pkk h ALA 317 N 1.51 0.28 -0.43 0.00 0.00 -1.11 -1.51 119.26 117.99 2pkk h ALA 317 Ca 0.37 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2pkk h ALA 317 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2pkk h ALA 317 CO -0.38 0.61 0.25 1.49 0.00 0.00 0.00 179.25 181.22 2pkk h GLU 318 N 0.44 0.59 0.54 0.00 4.81 -0.97 -2.38 114.58 117.61 2pkk h GLU 318 Ca -0.05 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2pkk h GLU 318 Cb 1.34 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.60 2pkk h GLU 318 CO 0.15 0.45 -0.26 0.82 -0.73 0.00 0.00 179.01 179.43 2pkk h ILE 319 N 0.57 0.35 -0.52 2.32 2.04 -1.13 -3.20 117.51 117.93 2pkk h ILE 319 Ca 0.15 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.67 2pkk h ILE 319 Cb 0.01 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2pkk h ILE 319 CO -0.03 0.04 0.35 -0.37 0.00 0.00 0.00 178.15 178.14 2pkk h VAL 320 N -0.98 1.12 -0.26 1.67 -1.51 -1.32 -0.96 116.25 114.00 2pkk h VAL 320 Ca -0.07 -0.23 -0.03 0.00 -1.23 0.00 0.00 66.70 65.14 2pkk h VAL 320 Cb 0.63 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 2pkk h VAL 320 CO 0.12 0.12 0.03 0.00 -1.23 0.00 0.00 177.57 176.62 2pkk n ALA 321 N -2.46 3.18 -0.00 5.19 0.00 -0.90 -2.71 120.51 122.80 2pkk n ALA 321 Ca 0.05 -0.86 0.04 0.00 0.00 0.00 0.00 53.44 52.67 2pkk n ALA 321 Cb 0.07 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2pkk n ALA 321 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2pkk n VAL 322 N 0.21 0.02 1.83 0.00 3.14 -0.37 -5.02 118.33 118.14 2pkk n VAL 322 Ca 0.13 -0.19 0.15 0.00 -2.96 0.00 0.00 64.34 61.48 2pkk n VAL 322 Cb 0.69 0.28 0.80 0.00 -1.06 0.00 0.00 33.84 34.56 2pkk n VAL 322 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55