#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbk n PRO 18 N 0.00 2.28 -0.34 1.45 -0.02 -1.26 -4.70 135.00 132.41 3kbk n PRO 18 Ca 0.00 0.81 0.16 0.00 -2.02 0.00 0.00 63.50 62.44 3kbk n PRO 18 Cb 0.00 -2.49 0.37 0.00 -0.02 0.00 0.00 33.50 31.37 3kbk n PRO 18 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kbk h PRO 19 N 3.90 0.63 0.00 0.52 0.11 -2.08 0.45 132.00 135.53 3kbk h PRO 19 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kbk h PRO 19 Cb 1.26 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kbk h PRO 19 CO 0.73 0.42 -0.07 0.66 -0.21 0.00 0.00 178.00 179.53 3kbk h SER 20 N 0.65 0.00 -0.00 -2.05 4.64 -2.02 -2.65 113.55 112.12 3kbk h SER 20 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3kbk h SER 20 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3kbk h SER 20 CO -0.39 0.07 -0.46 0.18 -0.87 0.00 0.00 176.83 175.36 3kbk n LEU 21 N -3.60 1.02 -4.76 5.97 4.77 0.13 -5.01 117.00 115.53 3kbk n LEU 21 Ca -0.02 -0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 54.93 3kbk n LEU 21 Cb 0.18 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3kbk n LEU 21 CO 0.28 0.22 0.86 -0.60 -1.33 0.00 0.00 177.39 176.82 3kbk s ARG 22 N -1.98 4.54 -0.49 3.23 3.52 0.14 -4.93 118.95 122.97 3kbk s ARG 22 Ca 0.08 1.94 0.03 0.00 -0.13 0.00 0.00 55.73 57.65 3kbk s ARG 22 Cb 0.11 -3.15 0.14 0.00 -1.56 0.00 0.00 34.95 30.48 3kbk s ARG 22 CO 0.45 0.07 0.29 -0.51 -0.81 0.00 0.00 175.30 174.79 3kbk s LEU 23 N -1.49 3.23 0.48 -0.88 1.43 -1.26 -4.98 118.68 115.22 3kbk s LEU 23 Ca 0.46 -2.93 0.23 0.00 -1.03 0.00 0.00 54.13 50.86 3kbk s LEU 23 Cb -0.35 -1.20 1.27 0.00 0.03 0.00 0.00 46.19 45.95 3kbk s LEU 23 CO 0.45 -0.22 1.91 -0.65 0.23 0.00 0.00 176.35 178.07 3kbk h PRO 24 N 6.39 0.19 -0.40 1.29 0.11 -1.99 -1.40 132.00 136.18 3kbk h PRO 24 Ca 0.02 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 3kbk h PRO 24 Cb 0.89 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3kbk h PRO 24 CO 0.55 0.12 0.07 0.28 -0.21 0.00 0.00 178.00 178.82 3kbk h VAL 25 N 0.19 1.24 -0.68 3.15 2.07 -1.99 -0.69 116.25 119.55 3kbk h VAL 25 Ca 0.38 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3kbk h VAL 25 Cb 1.22 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3kbk h VAL 25 CO -0.07 0.29 0.32 0.40 0.02 0.00 0.00 177.57 178.52 3kbk h ILE 26 N 0.52 1.23 -0.37 4.57 1.08 -1.67 0.40 117.51 123.27 3kbk h ILE 26 Ca 0.12 -0.67 -0.09 0.00 -0.39 0.00 0.00 64.86 63.83 3kbk h ILE 26 Cb 0.35 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3kbk h ILE 26 CO 0.01 0.27 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.26 3kbk h GLU 27 N 0.95 0.67 0.11 2.37 5.08 -1.06 -1.82 114.58 120.89 3kbk h GLU 27 Ca 0.23 -0.23 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3kbk h GLU 27 Cb 0.14 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3kbk h GLU 27 CO -0.03 0.79 -1.93 0.00 -1.00 0.00 0.00 179.01 176.84 3kbk h ALA 28 N 1.23 0.46 -0.00 3.43 0.00 -1.01 -3.42 119.26 119.95 3kbk h ALA 28 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.63 3kbk h ALA 28 Cb 0.60 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kbk h ALA 28 CO 0.04 1.33 -0.33 0.00 0.00 0.00 0.00 179.25 180.30 3kbk n ALA 29 N -2.92 3.04 -3.34 0.00 0.00 0.12 -4.69 120.51 112.72 3kbk n ALA 29 Ca -0.29 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.52 3kbk n ALA 29 Cb 1.05 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 3kbk n ALA 29 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kbk n PHE 30 N -0.68 2.92 -1.65 0.00 3.72 -0.68 -5.02 117.46 116.06 3kbk n PHE 30 Ca 0.03 -4.03 -0.46 0.00 -0.05 0.00 0.00 57.45 52.94 3kbk n PHE 30 Cb 0.19 -0.51 -0.04 0.00 -0.94 0.00 0.00 39.48 38.18 3kbk n PHE 30 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3kbk n PRO 31 N 0.85 1.90 -1.77 -1.08 -0.02 -1.26 -4.68 135.00 128.94 3kbk n PRO 31 Ca 0.28 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 62.07 3kbk n PRO 31 Cb 0.43 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 3kbk n PRO 31 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kbk s ARG 32 N 0.08 2.92 0.08 -0.52 0.52 -1.26 -5.00 118.95 115.77 3kbk s ARG 32 Ca 0.73 2.17 0.08 0.00 -0.52 0.00 0.00 55.73 58.19 3kbk s ARG 32 Cb -0.71 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 3kbk s ARG 32 CO 0.46 -1.34 -0.20 -0.65 0.02 0.00 0.00 175.30 173.59 3kbk s GLN 33 N -3.09 1.13 -0.05 3.54 -1.52 -1.26 -5.14 119.66 113.26 3kbk s GLN 33 Ca 0.76 -1.08 0.01 0.00 -1.95 0.00 0.00 55.36 53.11 3kbk s GLN 33 Cb -0.39 -1.32 0.02 0.00 -0.22 0.00 0.00 33.01 31.09 3kbk s GLN 33 CO 0.45 0.31 -0.08 -1.17 -0.25 0.00 0.00 175.29 174.56 3kbk s LEU 34 N -1.71 1.45 0.18 2.90 2.96 -1.26 -4.25 118.68 118.95 3kbk s LEU 34 Ca 0.05 -0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.46 3kbk s LEU 34 Cb -0.10 -0.60 -0.09 0.00 0.50 0.00 0.00 46.19 45.90 3kbk s LEU 34 CO 0.03 -0.02 1.40 -2.28 -1.32 0.00 0.00 176.35 174.17 3kbk s HIS 35 N 0.83 3.16 0.58 5.38 5.65 -0.49 -4.90 115.29 125.50 3kbk s HIS 35 Ca -0.12 1.01 0.28 0.00 0.25 0.00 0.00 55.06 56.47 3kbk s HIS 35 Cb -0.15 -3.73 1.62 0.00 -1.18 0.00 0.00 32.58 29.14 3kbk s HIS 35 CO 0.01 -2.46 2.11 -1.35 -0.65 0.00 0.00 174.74 172.40 3kbk h PRO 36 N 5.90 0.00 -0.00 2.88 0.11 -1.98 -1.10 132.00 137.80 3kbk h PRO 36 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kbk h PRO 36 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kbk h PRO 36 CO 0.82 0.00 -0.12 0.98 -0.21 0.00 0.00 178.00 179.47 3kbk n TYR 37 N -3.90 0.00 -0.28 0.65 9.36 -1.26 -4.36 117.16 117.37 3kbk n TYR 37 Ca 0.02 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.31 3kbk n TYR 37 Cb 0.31 -0.21 0.19 0.00 -0.63 0.00 0.00 39.34 39.00 3kbk n TYR 37 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 3kbk h TRP 38 N 0.48 -0.05 -0.80 2.98 7.01 -1.58 -0.84 115.95 123.14 3kbk h TRP 38 Ca 0.00 0.06 0.18 0.00 2.11 0.00 0.00 58.89 61.24 3kbk h TRP 38 Cb 0.38 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 3kbk h TRP 38 CO 0.00 -0.28 0.54 -1.35 -2.79 0.00 0.00 178.44 174.56 3kbk h PRO 39 N 0.09 0.30 0.00 2.65 0.11 -1.83 -2.44 132.00 130.88 3kbk h PRO 39 Ca 0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3kbk h PRO 39 Cb 0.84 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3kbk h PRO 39 CO -0.73 0.20 -0.35 1.63 -0.21 0.00 0.00 178.00 178.55 3kbk n LYS 40 N -4.45 0.04 -0.15 1.05 5.02 -0.32 -4.19 118.16 115.16 3kbk n LYS 40 Ca 0.16 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.37 3kbk n LYS 40 Cb 0.66 -1.53 0.04 0.00 -0.02 0.00 0.00 35.03 34.18 3kbk n LYS 40 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kbk h LEU 41 N 0.00 0.96 0.19 -0.35 3.38 -1.46 -3.33 115.31 114.69 3kbk h LEU 41 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3kbk h LEU 41 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kbk h LEU 41 CO 0.00 1.10 -0.16 -0.61 0.09 0.00 0.00 178.44 178.86 3kbk h GLN 42 N 0.84 -0.35 -0.62 1.13 4.15 -1.75 -0.96 115.11 117.55 3kbk h GLN 42 Ca 0.12 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.51 3kbk h GLN 42 Cb 0.71 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 3kbk h GLN 42 CO 0.05 -0.23 0.15 1.49 -1.93 0.00 0.00 178.83 178.36 3kbk h GLU 43 N -0.37 0.96 -0.27 1.69 4.81 -1.85 -0.85 114.58 118.70 3kbk h GLU 43 Ca -0.00 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 3kbk h GLU 43 Cb 0.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3kbk h GLU 43 CO -0.02 0.85 -0.10 1.15 -0.73 0.00 0.00 179.01 180.16 3kbk h THR 44 N 0.92 1.29 -0.41 0.32 2.02 -1.60 -1.36 112.91 114.09 3kbk h THR 44 Ca 0.20 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 3kbk h THR 44 Cb 0.32 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3kbk h THR 44 CO -0.00 0.36 0.07 0.74 0.37 0.00 0.00 175.52 177.07 3kbk h THR 45 N 0.28 1.24 -0.54 3.16 2.02 -1.05 -0.64 112.91 117.38 3kbk h THR 45 Ca 0.06 -0.85 0.07 0.00 0.77 0.00 0.00 66.41 66.46 3kbk h THR 45 Cb 0.60 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 3kbk h THR 45 CO 0.03 0.29 0.21 -0.09 0.37 0.00 0.00 175.52 176.34 3kbk h ARG 46 N 0.52 0.39 -0.82 6.66 2.43 -1.10 0.49 114.38 122.96 3kbk h ARG 46 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3kbk h ARG 46 Cb 0.36 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3kbk h ARG 46 CO 0.01 0.26 0.52 1.15 -1.51 0.00 0.00 179.97 180.39 3kbk h THR 47 N 0.40 1.22 -0.24 0.20 2.02 -0.90 -1.82 112.91 113.79 3kbk h THR 47 Ca 0.26 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3kbk h THR 47 Cb 0.28 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3kbk h THR 47 CO -0.25 0.22 -0.09 -0.25 0.37 0.00 0.00 175.52 175.52 3kbk h TRP 48 N 1.11 0.56 -0.99 3.16 7.01 -0.28 -0.08 115.95 126.44 3kbk h TRP 48 Ca 0.30 -0.13 0.03 0.00 2.11 0.00 0.00 58.89 61.20 3kbk h TRP 48 Cb -0.09 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 26.78 3kbk h TRP 48 CO -0.01 0.74 0.65 -0.07 -2.79 0.00 0.00 178.44 176.96 3kbk h LEU 49 N 0.21 1.09 -0.21 0.65 3.38 -0.76 -0.38 115.31 119.31 3kbk h LEU 49 Ca 0.06 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3kbk h LEU 49 Cb 0.58 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kbk h LEU 49 CO 0.03 0.75 -0.57 -0.07 0.09 0.00 0.00 178.44 178.67 3kbk h LEU 50 N 1.26 0.86 -0.56 1.67 3.38 -1.16 -1.19 115.31 119.57 3kbk h LEU 50 Ca 0.39 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3kbk h LEU 50 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3kbk h LEU 50 CO -0.12 1.28 0.31 -0.08 0.09 0.00 0.00 178.44 179.92 3kbk h GLU 51 N 0.47 0.79 -0.01 1.13 4.81 -0.68 -2.01 114.58 119.09 3kbk h GLU 51 Ca -0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3kbk h GLU 51 Cb 1.19 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3kbk h GLU 51 CO 0.12 0.61 -0.02 1.63 -0.73 0.00 0.00 179.01 180.63 3kbk n LYS 52 N -4.60 1.21 -3.94 1.92 4.76 -0.18 -4.93 118.16 112.41 3kbk n LYS 52 Ca 0.03 -0.42 -0.29 0.00 -2.87 0.00 0.00 58.31 54.76 3kbk n LYS 52 Cb 0.09 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 31.80 3kbk n LYS 52 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kbk n ARG 53 N -0.53 -4.55 0.10 1.97 1.74 -0.76 -4.78 116.66 109.86 3kbk n ARG 53 Ca 0.20 0.52 -0.03 0.00 -0.77 0.00 0.00 57.85 57.78 3kbk n ARG 53 Cb 0.23 -5.18 0.19 0.00 -1.02 0.00 0.00 32.46 26.68 3kbk n ARG 53 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3kbk h LEU 54 N -1.89 0.21 -8.00 0.55 3.38 -1.52 -3.45 115.31 104.59 3kbk h LEU 54 Ca -0.60 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.16 3kbk h LEU 54 Cb 1.37 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.91 3kbk h LEU 54 CO 0.66 0.68 -0.54 -0.04 0.09 0.00 0.00 178.44 179.30 3kbk s MET 55 N -3.95 0.68 0.60 1.13 -1.94 -1.26 -4.86 119.30 109.70 3kbk s MET 55 Ca -0.04 -1.00 -0.19 0.00 -1.71 0.00 0.00 55.69 52.75 3kbk s MET 55 Cb 0.13 0.26 -0.04 0.00 2.01 0.00 0.00 34.83 37.19 3kbk s MET 55 CO 0.78 -0.17 1.16 -2.30 -0.01 0.00 0.00 175.02 174.48 3kbk n PRO 56 N 0.24 1.14 -0.33 2.03 -0.02 -1.26 -4.67 135.00 132.13 3kbk n PRO 56 Ca -0.16 0.44 0.24 0.00 -2.02 0.00 0.00 63.50 62.00 3kbk n PRO 56 Cb 0.61 -2.38 0.48 0.00 -0.02 0.00 0.00 33.50 32.19 3kbk n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kbk h ALA 57 N 0.71 1.94 -0.15 3.55 0.00 -1.98 0.13 119.26 123.46 3kbk h ALA 57 Ca -0.50 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3kbk h ALA 57 Cb 1.34 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3kbk h ALA 57 CO 0.53 -0.60 -0.49 0.38 0.00 0.00 0.00 179.25 179.07 3kbk h ASP 58 N 0.29 0.44 0.11 0.00 2.03 -2.00 -1.83 116.42 115.47 3kbk h ASP 58 Ca 0.74 -0.22 -0.17 0.00 -0.73 0.00 0.00 57.03 56.65 3kbk h ASP 58 Cb 1.70 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 40.06 3kbk h ASP 58 CO -0.63 0.87 -0.61 0.11 -1.03 0.00 0.00 179.24 177.95 3kbk h LYS 59 N 0.32 0.50 -0.34 4.15 1.79 -1.11 -1.87 116.57 120.01 3kbk h LYS 59 Ca 0.02 -0.34 -0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3kbk h LYS 59 Cb 0.98 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 3kbk h LYS 59 CO 0.09 0.96 0.21 0.28 -1.08 0.00 0.00 179.45 179.90 3kbk h VAL 60 N 0.37 1.12 -0.58 0.50 2.07 -1.20 -1.53 116.25 116.99 3kbk h VAL 60 Ca -0.01 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3kbk h VAL 60 Cb 1.16 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3kbk h VAL 60 CO 0.11 0.12 0.30 -0.08 0.02 0.00 0.00 177.57 178.04 3kbk h GLU 61 N 0.45 0.83 0.09 1.57 4.57 -1.14 0.21 114.58 121.16 3kbk h GLU 61 Ca 0.12 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3kbk h GLU 61 Cb 0.01 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3kbk h GLU 61 CO -0.02 0.65 -0.08 0.93 -1.18 0.00 0.00 179.01 179.31 3kbk h GLU 62 N 0.79 -0.17 -0.86 1.92 5.08 -1.21 0.20 114.58 120.33 3kbk h GLU 62 Ca 0.20 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3kbk h GLU 62 Cb 0.08 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3kbk h GLU 62 CO -0.03 -0.12 0.50 -0.92 -1.00 0.00 0.00 179.01 177.44 3kbk h TYR 63 N -0.18 1.14 0.00 4.33 3.20 -0.82 -2.21 116.97 122.43 3kbk h TYR 63 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3kbk h TYR 63 Cb 0.17 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3kbk h TYR 63 CO -0.10 0.77 0.00 0.00 -1.64 0.00 0.00 178.16 177.19 3kbk n ALA 64 N -2.41 2.22 0.37 1.82 0.00 0.71 -4.23 120.51 118.99 3kbk n ALA 64 Ca 0.09 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 3kbk n ALA 64 Cb 0.08 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.00 3kbk n ALA 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kbk h ASP 65 N 0.00 -0.81 0.00 0.00 3.32 -0.29 -3.47 116.42 115.17 3kbk h ASP 65 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kbk h ASP 65 Cb 0.60 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3kbk h ASP 65 CO 0.00 -0.52 0.00 0.61 -1.72 0.00 0.00 179.24 177.61 3kbk n GLY 66 N -1.08 4.28 3.65 2.75 0.00 -1.26 -5.08 105.19 108.46 3kbk n GLY 66 Ca -0.12 -1.68 -0.45 0.00 0.00 0.00 0.00 46.02 43.77 3kbk n GLY 66 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kbk n LEU 67 N 0.00 2.80 -4.06 0.99 7.94 -1.26 -5.00 117.00 118.40 3kbk n LEU 67 Ca 0.00 1.17 -0.13 0.00 -1.11 0.00 0.00 56.01 55.93 3kbk n LEU 67 Cb 0.00 -1.39 -0.04 0.00 0.53 0.00 0.00 43.42 42.51 3kbk n LEU 67 CO 0.00 -0.76 0.15 0.00 -1.11 0.00 0.00 177.39 175.67 3kbk h TYR 69 N 2.15 0.00 -0.22 0.00 0.99 -1.94 -0.99 116.97 116.97 3kbk h TYR 69 Ca -0.28 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 3kbk h TYR 69 Cb 1.24 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.96 3kbk h TYR 69 CO 1.25 0.00 0.09 1.15 -0.00 0.00 0.00 178.16 180.65 3kbk h THR 70 N 0.00 1.09 -0.50 -2.88 2.02 -1.92 -1.60 112.91 109.11 3kbk h THR 70 Ca -0.00 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3kbk h THR 70 Cb 0.12 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3kbk h THR 70 CO 0.00 0.10 0.03 0.44 0.37 0.00 0.00 175.52 176.46 3kbk h ASP 71 N 0.30 0.79 -0.07 4.18 3.32 -1.59 0.10 116.42 123.45 3kbk h ASP 71 Ca 0.08 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3kbk h ASP 71 Cb 0.06 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3kbk h ASP 71 CO -0.01 0.83 0.04 0.25 -1.72 0.00 0.00 179.24 178.63 3kbk h LEU 72 N 0.77 0.10 -1.08 1.55 5.85 -1.42 -2.97 115.31 118.12 3kbk h LEU 72 Ca 0.15 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3kbk h LEU 72 Cb 0.42 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3kbk h LEU 72 CO 0.02 0.18 0.05 0.24 -0.34 0.00 0.00 178.44 178.59 3kbk h MET 73 N 0.01 0.71 0.00 1.25 2.86 -0.96 -2.79 114.93 116.00 3kbk h MET 73 Ca 0.03 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3kbk h MET 73 Cb 0.11 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3kbk h MET 73 CO -0.00 0.69 0.00 0.00 1.06 0.00 0.00 176.91 178.65 3kbk h ALA 74 N 1.38 1.00 -0.55 6.32 0.00 -0.76 -1.41 119.26 125.24 3kbk h ALA 74 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kbk h ALA 74 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kbk h ALA 74 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3kbk n GLY 75 N 0.65 1.85 1.14 0.00 0.00 -1.06 -1.39 105.19 106.38 3kbk n GLY 75 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3kbk n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kbk n TYR 76 N 1.37 -0.25 -1.78 1.61 9.36 -0.86 -4.47 117.16 122.14 3kbk n TYR 76 Ca 0.21 0.04 -0.40 0.00 3.32 0.00 0.00 57.90 61.07 3kbk n TYR 76 Cb 0.55 0.06 -0.01 0.00 -0.63 0.00 0.00 39.34 39.31 3kbk n TYR 76 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3kbk n TYR 77 N -3.50 2.64 -2.02 2.98 4.01 -0.59 -4.62 117.16 116.06 3kbk n TYR 77 Ca 0.00 -2.93 -0.40 0.00 -0.16 0.00 0.00 57.90 54.42 3kbk n TYR 77 Cb 0.00 -2.13 -0.00 0.00 -0.31 0.00 0.00 39.34 36.90 3kbk n TYR 77 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kbk s LEU 78 N -0.82 4.24 0.00 7.72 2.01 -1.26 -2.67 118.68 127.89 3kbk s LEU 78 Ca 0.57 2.71 0.00 0.00 0.01 0.00 0.00 54.13 57.43 3kbk s LEU 78 Cb 0.17 -3.86 0.00 0.00 0.01 0.00 0.00 46.19 42.51 3kbk s LEU 78 CO -0.07 -0.84 0.00 0.61 1.01 0.00 0.00 176.35 177.06 3kbk n GLY 79 N 0.66 1.92 3.76 -3.19 0.00 -1.26 -4.92 105.19 102.16 3kbk n GLY 79 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kbk n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbk s ALA 80 N -3.10 3.69 0.54 4.61 0.00 -1.09 -4.77 121.76 121.63 3kbk s ALA 80 Ca 0.00 1.58 -0.20 0.00 0.00 0.00 0.00 51.96 53.33 3kbk s ALA 80 Cb 0.00 -3.64 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 3kbk s ALA 80 CO 0.00 -1.01 0.97 -2.30 0.00 0.00 0.00 175.76 173.42 3kbk n PRO 81 N 1.60 1.07 -0.24 0.00 -0.02 -1.26 -4.70 135.00 131.45 3kbk n PRO 81 Ca 0.06 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 3kbk n PRO 81 Cb 0.38 -2.13 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 3kbk n PRO 81 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kbk h ASP 82 N 0.86 0.09 0.04 2.55 3.32 -2.00 -0.65 116.42 120.64 3kbk h ASP 82 Ca -0.47 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 3kbk h ASP 82 Cb 1.35 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 3kbk h ASP 82 CO 0.53 0.02 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.49 3kbk h GLU 83 N 0.32 0.34 -0.06 3.56 5.08 -1.99 -0.47 114.58 121.36 3kbk h GLU 83 Ca 0.39 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3kbk h GLU 83 Cb 0.63 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3kbk h GLU 83 CO -0.45 0.57 -0.04 0.28 -1.00 0.00 0.00 179.01 178.37 3kbk h VAL 84 N 0.31 1.33 -0.73 3.13 2.07 -1.52 -1.48 116.25 119.36 3kbk h VAL 84 Ca 0.05 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3kbk h VAL 84 Cb 0.60 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 3kbk h VAL 84 CO 0.04 0.29 0.41 0.25 0.02 0.00 0.00 177.57 178.59 3kbk h LEU 85 N -0.25 0.61 -0.62 2.57 5.85 -0.98 0.42 115.31 122.91 3kbk h LEU 85 Ca 0.01 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kbk h LEU 85 Cb 0.49 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3kbk h LEU 85 CO 0.01 0.38 0.39 -0.61 -0.34 0.00 0.00 178.44 178.27 3kbk h GLN 86 N 0.74 0.76 -0.70 1.25 5.75 -1.03 0.29 115.11 122.17 3kbk h GLN 86 Ca 0.33 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.74 3kbk h GLN 86 Cb 0.23 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3kbk h GLN 86 CO -0.20 0.50 0.24 0.00 -2.65 0.00 0.00 178.83 176.72 3kbk h ALA 87 N 1.25 0.92 -0.40 3.38 0.00 -0.42 -0.82 119.26 123.17 3kbk h ALA 87 Ca 0.24 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3kbk h ALA 87 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kbk h ALA 87 CO -0.08 0.58 -0.22 0.82 0.00 0.00 0.00 179.25 180.35 3kbk h ILE 88 N 1.02 1.28 -0.20 0.00 2.04 -0.57 -1.34 117.51 119.74 3kbk h ILE 88 Ca 0.23 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.74 3kbk h ILE 88 Cb 0.27 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3kbk h ILE 88 CO -0.01 0.46 0.10 0.00 0.00 0.00 0.00 178.15 178.69 3kbk h ALA 89 N 0.81 0.24 -0.80 1.87 0.00 -0.22 0.18 119.26 121.34 3kbk h ALA 89 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kbk h ALA 89 Cb 0.78 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3kbk h ALA 89 CO 0.06 -0.32 0.32 -0.44 0.00 0.00 0.00 179.25 178.88 3kbk h ASP 90 N 0.21 1.10 -1.00 0.00 3.32 -1.10 -1.22 116.42 117.73 3kbk h ASP 90 Ca 0.08 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3kbk h ASP 90 Cb 0.02 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 3kbk h ASP 90 CO -0.06 0.97 0.66 0.22 -1.72 0.00 0.00 179.24 179.31 3kbk h TYR 91 N 1.16 1.24 -0.34 4.55 3.20 -0.89 -0.10 116.97 125.79 3kbk h TYR 91 Ca 0.27 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.06 3kbk h TYR 91 Cb 0.21 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3kbk h TYR 91 CO 0.02 0.76 -0.21 0.66 -1.64 0.00 0.00 178.16 177.74 3kbk h SER 92 N 1.32 0.67 -0.63 -2.11 4.64 -0.19 -1.31 113.55 115.94 3kbk h SER 92 Ca 0.38 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 3kbk h SER 92 Cb -0.09 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 3kbk h SER 92 CO -0.10 0.87 0.05 0.00 -0.87 0.00 0.00 176.83 176.78 3kbk h ALA 93 N 1.18 0.88 -0.81 5.18 0.00 -0.81 -2.37 119.26 122.52 3kbk h ALA 93 Ca 0.09 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3kbk h ALA 93 Cb 0.68 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3kbk h ALA 93 CO 0.05 0.67 0.50 2.35 0.00 0.00 0.00 179.25 182.82 3kbk h TRP 94 N 1.00 0.94 -0.81 0.00 7.01 -0.55 -1.79 115.95 121.75 3kbk h TRP 94 Ca 0.19 0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.32 3kbk h TRP 94 Cb 0.51 -0.30 -0.08 0.00 -2.10 0.00 0.00 29.16 27.18 3kbk h TRP 94 CO 0.04 0.51 0.44 0.74 -2.79 0.00 0.00 178.44 177.37 3kbk h PHE 95 N 0.95 0.78 -0.80 2.65 -1.00 -0.75 0.40 116.94 119.17 3kbk h PHE 95 Ca 0.34 0.03 0.05 0.00 2.81 0.00 0.00 57.97 61.19 3kbk h PHE 95 Cb 0.09 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.37 3kbk h PHE 95 CO -0.03 0.27 0.50 0.35 -1.61 0.00 0.00 178.31 177.79 3kbk h PHE 96 N 0.70 0.93 -0.37 -0.55 3.04 -0.94 -0.38 116.94 119.38 3kbk h PHE 96 Ca 0.41 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.28 3kbk h PHE 96 Cb 0.46 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 3kbk h PHE 96 CO -0.08 0.50 -0.20 0.28 -2.02 0.00 0.00 178.31 176.80 3kbk h VAL 97 N 0.95 1.28 -0.26 1.41 2.07 -0.78 -2.20 116.25 118.71 3kbk h VAL 97 Ca 0.34 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3kbk h VAL 97 Cb 0.09 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3kbk h VAL 97 CO -0.14 0.44 0.17 -0.25 0.02 0.00 0.00 177.57 177.80 3kbk h TRP 98 N 0.57 0.32 -0.96 1.57 7.01 -0.70 -0.78 115.95 122.97 3kbk h TRP 98 Ca 0.08 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.19 3kbk h TRP 98 Cb 0.75 -0.11 -0.08 0.00 -2.10 0.00 0.00 29.16 27.62 3kbk h TRP 98 CO 0.06 0.20 0.60 -0.44 -2.79 0.00 0.00 178.44 176.06 3kbk h ASP 99 N 0.34 0.89 -0.16 2.65 3.32 -0.97 0.30 116.42 122.80 3kbk h ASP 99 Ca 0.10 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3kbk h ASP 99 Cb -0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3kbk h ASP 99 CO -0.03 0.49 0.02 -0.78 -1.72 0.00 0.00 179.24 177.23 3kbk h ASP 100 N 0.98 0.25 -0.59 6.45 3.58 -0.85 -0.65 116.42 125.59 3kbk h ASP 100 Ca 0.47 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.66 3kbk h ASP 100 Cb 0.41 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 3kbk h ASP 100 CO -0.25 0.45 0.39 -0.09 -2.88 0.00 0.00 179.24 176.86 3kbk h ARG 101 N 0.05 0.76 -0.20 0.28 9.65 -0.52 -0.87 114.38 123.53 3kbk h ARG 101 Ca 0.05 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 3kbk h ARG 101 Cb 0.31 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.67 3kbk h ARG 101 CO 0.00 0.50 -0.11 1.25 2.80 0.00 0.00 179.97 184.42 3kbk h HIS 102 N 0.78 -0.26 -0.67 2.20 2.76 -0.30 0.14 115.15 119.80 3kbk h HIS 102 Ca 0.22 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3kbk h HIS 102 Cb -0.07 0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 3kbk h HIS 102 CO -0.04 -0.16 0.40 -0.44 -1.30 0.00 0.00 177.93 176.39 3kbk h ASP 103 N -0.09 0.81 -0.23 3.26 3.32 -0.90 -2.11 116.42 120.47 3kbk h ASP 103 Ca 0.11 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3kbk h ASP 103 Cb 0.26 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3kbk h ASP 103 CO -0.25 0.64 0.03 -0.09 -1.72 0.00 0.00 179.24 177.84 3kbk h ARG 104 N 0.92 0.39 -0.99 3.56 2.43 -0.73 0.25 114.38 120.22 3kbk h ARG 104 Ca 0.24 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3kbk h ARG 104 Cb -0.02 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 3kbk h ARG 104 CO -0.04 0.54 0.65 -0.44 -1.51 0.00 0.00 179.97 179.17 3kbk h ASP 105 N 0.18 1.07 0.17 -3.80 3.32 -0.92 -1.66 116.42 114.78 3kbk h ASP 105 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kbk h ASP 105 Cb 0.35 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kbk h ASP 105 CO 0.01 0.73 -0.08 0.40 -1.72 0.00 0.00 179.24 178.58 3kbk h ILE 106 N 1.24 0.95 -0.95 0.35 2.04 -0.96 0.16 117.51 120.33 3kbk h ILE 106 Ca 0.39 -0.72 0.12 0.00 1.00 0.00 0.00 64.86 65.66 3kbk h ILE 106 Cb 0.01 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 3kbk h ILE 106 CO -0.12 0.16 0.61 0.58 0.00 0.00 0.00 178.15 179.37 3kbk h VAL 107 N -0.59 0.91 -0.47 1.67 2.07 -0.83 -1.85 116.25 117.17 3kbk h VAL 107 Ca -0.02 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kbk h VAL 107 Cb 0.44 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3kbk h VAL 107 CO 0.04 0.16 0.00 1.41 0.02 0.00 0.00 177.57 179.20 3kbk n HIS 108 N -4.58 0.61 -3.98 1.57 8.25 -0.64 -4.95 115.22 111.51 3kbk n HIS 108 Ca 0.18 -0.31 -0.30 0.00 -0.26 0.00 0.00 57.72 57.03 3kbk n HIS 108 Cb 0.37 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.48 3kbk n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kbk n GLY 109 N 1.38 -0.41 2.82 -1.41 0.00 -0.58 -4.87 105.19 102.11 3kbk n GLY 109 Ca 0.18 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 3kbk n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kbk n ARG 110 N -4.51 3.68 -0.24 1.61 1.74 0.44 -4.79 116.66 114.60 3kbk n ARG 110 Ca -0.05 -3.47 -0.06 0.00 -0.77 0.00 0.00 57.85 53.50 3kbk n ARG 110 Cb 0.56 -2.91 0.05 0.00 -1.02 0.00 0.00 32.46 29.14 3kbk n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kbk h ALA 111 N 5.64 0.86 -0.25 7.54 0.00 -1.89 -0.95 119.26 130.20 3kbk h ALA 111 Ca 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3kbk h ALA 111 Cb 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kbk h ALA 111 CO 1.63 0.37 0.08 0.78 0.00 0.00 0.00 179.25 182.11 3kbk h GLY 112 N 0.92 0.41 1.00 0.00 0.00 -1.99 -0.23 103.07 103.19 3kbk h GLY 112 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kbk h GLY 112 CO -0.04 0.23 0.41 0.00 0.00 0.00 0.00 176.54 177.14 3kbk h ALA 113 N 0.91 0.84 -0.26 3.60 0.00 -1.91 -0.96 119.26 121.47 3kbk h ALA 113 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kbk h ALA 113 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kbk h ALA 113 CO -0.00 0.30 0.09 2.35 0.00 0.00 0.00 179.25 181.99 3kbk h TRP 114 N 0.90 0.40 -0.74 0.00 2.91 -1.07 -1.15 115.95 117.20 3kbk h TRP 114 Ca 0.24 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.27 3kbk h TRP 114 Cb -0.05 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 28.43 3kbk h TRP 114 CO -0.02 0.43 0.45 -0.09 -1.03 0.00 0.00 178.44 178.18 3kbk h ARG 115 N 0.25 0.84 -0.47 2.65 2.43 -0.72 0.12 114.38 119.48 3kbk h ARG 115 Ca 0.08 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 3kbk h ARG 115 Cb 0.21 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3kbk h ARG 115 CO -0.00 0.55 -0.04 0.00 -1.51 0.00 0.00 179.97 178.97 3kbk h ARG 116 N 0.86 0.86 -0.15 0.20 3.08 -1.04 -1.38 114.38 116.82 3kbk h ARG 116 Ca 0.31 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3kbk h ARG 116 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3kbk h ARG 116 CO -0.14 0.93 0.08 1.25 -1.07 0.00 0.00 179.97 181.02 3kbk h LEU 117 N 0.71 0.14 -0.59 3.04 5.85 -0.74 -0.97 115.31 122.75 3kbk h LEU 117 Ca 0.13 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.97 3kbk h LEU 117 Cb 0.56 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.45 3kbk h LEU 117 CO 0.03 0.10 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.05 3kbk h ARG 118 N 0.18 0.03 -0.71 1.25 2.43 -0.59 0.31 114.38 117.28 3kbk h ARG 118 Ca 0.06 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3kbk h ARG 118 Cb -0.00 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3kbk h ARG 118 CO -0.03 0.02 0.36 0.78 -1.51 0.00 0.00 179.97 179.60 3kbk h GLY 119 N 0.04 1.08 1.38 2.80 0.00 -0.95 -2.35 103.07 105.07 3kbk h GLY 119 Ca 0.29 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3kbk h GLY 119 CO -0.57 0.49 -0.23 1.41 0.00 0.00 0.00 176.54 177.64 3kbk h LEU 120 N 0.99 0.73 -0.29 3.11 3.38 -0.07 -1.56 115.31 121.60 3kbk h LEU 120 Ca 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kbk h LEU 120 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kbk h LEU 120 CO -0.04 0.94 0.06 -0.07 0.09 0.00 0.00 178.44 179.42 3kbk h LEU 121 N 0.63 0.45 -0.71 1.67 3.38 -0.89 0.47 115.31 120.31 3kbk h LEU 121 Ca 0.09 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3kbk h LEU 121 Cb 0.72 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 3kbk h LEU 121 CO 0.06 0.58 0.38 0.45 0.09 0.00 0.00 178.44 179.99 3kbk h HIS 122 N 0.30 0.68 -0.02 1.13 3.86 -1.27 0.11 115.15 119.94 3kbk h HIS 122 Ca 0.09 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3kbk h HIS 122 Cb 0.31 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 3kbk h HIS 122 CO 0.02 0.28 -0.01 1.15 0.86 0.00 0.00 177.93 180.23 3kbk h THR 123 N 0.66 1.32 -0.12 2.45 2.02 -0.85 -3.10 112.91 115.28 3kbk h THR 123 Ca 0.34 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 3kbk h THR 123 Cb 0.30 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3kbk h THR 123 CO -0.23 0.26 -0.06 0.00 0.37 0.00 0.00 175.52 175.85 3kbk h ALA 124 N 0.61 1.67 -0.88 6.16 0.00 0.11 -1.14 119.26 125.79 3kbk h ALA 124 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kbk h ALA 124 Cb 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3kbk h ALA 124 CO 0.00 0.24 0.47 1.25 0.00 0.00 0.00 179.25 181.21 3kbk h LEU 125 N 0.18 1.12 0.00 0.00 5.85 -0.92 -0.16 115.31 121.37 3kbk h LEU 125 Ca 0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3kbk h LEU 125 Cb 0.23 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3kbk h LEU 125 CO 0.01 0.91 -0.50 0.44 -0.34 0.00 0.00 178.44 178.95 3kbk h ASP 126 N 1.24 0.00 -1.31 1.25 3.32 -1.36 -3.41 116.42 116.15 3kbk h ASP 126 Ca 0.31 -0.08 -0.41 0.00 0.02 0.00 0.00 57.03 56.87 3kbk h ASP 126 Cb 0.05 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.32 3kbk h ASP 126 CO -0.05 0.04 -0.82 -0.24 -1.72 0.00 0.00 179.24 176.45 3kbk n SER 127 N -2.49 -1.31 0.07 6.45 2.88 -0.48 -5.00 113.62 113.74 3kbk n SER 127 Ca 0.03 -2.86 -0.06 0.00 -1.33 0.00 0.00 58.87 54.64 3kbk n SER 127 Cb 0.49 0.43 0.10 0.00 -0.75 0.00 0.00 64.21 64.47 3kbk n SER 127 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kbk h PRO 128 N 4.36 0.31 -0.59 -1.46 0.11 -1.28 -3.32 132.00 130.12 3kbk h PRO 128 Ca 0.03 -0.22 0.09 0.00 0.11 0.00 0.00 66.00 66.01 3kbk h PRO 128 Cb 0.96 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.03 3kbk h PRO 128 CO 0.35 0.83 0.23 0.78 -0.21 0.00 0.00 178.00 179.98 3kbk h GLY 129 N 1.38 0.83 -1.77 -0.55 0.00 -1.86 -0.26 103.07 100.84 3kbk h GLY 129 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3kbk h GLY 129 CO 0.10 -0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.73 3kbk n ASP 130 N -4.98 2.56 0.00 0.19 5.75 -1.25 -3.37 116.55 115.45 3kbk n ASP 130 Ca 0.08 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 3kbk n ASP 130 Cb 0.26 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3kbk n ASP 130 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3kbk n HIS 131 N 0.32 0.00 0.17 2.11 8.25 -0.14 -4.77 115.22 121.16 3kbk n HIS 131 Ca 0.11 -0.11 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 3kbk n HIS 131 Cb 0.52 -0.01 0.81 0.00 1.12 0.00 0.00 29.99 32.43 3kbk n HIS 131 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kbk h LEU 132 N 0.00 0.00 -3.61 2.41 3.38 -1.47 -2.26 115.31 113.76 3kbk h LEU 132 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3kbk h LEU 132 Cb 0.30 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.77 3kbk h LEU 132 CO 0.00 0.00 -0.76 1.41 0.09 0.00 0.00 178.44 179.18 3kbk n HIS 133 N -3.72 1.38 -1.83 1.13 8.25 -1.26 -4.72 115.22 114.44 3kbk n HIS 133 Ca 0.03 -1.81 -0.38 0.00 -0.26 0.00 0.00 57.72 55.30 3kbk n HIS 133 Cb 0.43 -0.28 0.04 0.00 1.12 0.00 0.00 29.99 31.29 3kbk n HIS 133 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kbk s HIS 134 N -3.18 2.34 0.39 4.41 2.46 -0.85 -4.89 115.29 115.97 3kbk s HIS 134 Ca 0.42 1.39 0.09 0.00 0.47 0.00 0.00 55.06 57.43 3kbk s HIS 134 Cb 0.38 -3.76 0.85 0.00 -0.13 0.00 0.00 32.58 29.93 3kbk s HIS 134 CO -0.03 -2.76 1.96 1.05 -2.47 0.00 0.00 174.74 172.49 3kbk h GLU 135 N 1.51 0.61 -6.53 2.88 9.09 -1.97 -3.36 114.58 116.80 3kbk h GLU 135 Ca -0.51 -0.04 -0.57 0.00 0.05 0.00 0.00 59.36 58.30 3kbk h GLU 135 Cb 1.29 -0.14 -0.08 0.00 -1.65 0.00 0.00 28.75 28.18 3kbk h GLU 135 CO 0.57 0.40 0.87 0.34 0.05 0.00 0.00 179.01 181.25 3kbk s ASP 136 N -6.18 6.53 0.55 3.06 -1.08 -1.26 -4.90 116.67 113.39 3kbk s ASP 136 Ca -0.09 0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.41 3kbk s ASP 136 Cb 0.20 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.63 3kbk s ASP 136 CO 0.76 -1.30 2.15 0.71 0.52 0.00 0.00 175.17 178.01 3kbk h THR 137 N 6.18 0.74 -0.74 1.71 1.35 -1.89 0.20 112.91 120.45 3kbk h THR 137 Ca -0.24 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.57 3kbk h THR 137 Cb 1.06 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 3kbk h THR 137 CO 1.13 0.00 0.27 0.25 -0.25 0.00 0.00 175.52 176.92 3kbk h LEU 138 N 0.00 1.04 -0.11 3.87 5.85 -1.89 0.16 115.31 124.23 3kbk h LEU 138 Ca 0.05 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 3kbk h LEU 138 Cb 0.24 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.01 3kbk h LEU 138 CO -0.00 0.94 -0.67 0.58 -0.34 0.00 0.00 178.44 178.95 3kbk h VAL 139 N 1.09 1.32 -0.40 1.05 2.07 -1.36 -1.61 116.25 118.41 3kbk h VAL 139 Ca 0.25 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.83 3kbk h VAL 139 Cb 0.25 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3kbk h VAL 139 CO -0.02 0.60 0.25 0.00 0.02 0.00 0.00 177.57 178.42 3kbk h ALA 140 N 0.49 0.51 -0.73 1.67 0.00 -1.03 -0.02 119.26 120.15 3kbk h ALA 140 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3kbk h ALA 140 Cb 1.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3kbk h ALA 140 CO 0.14 -0.02 0.28 0.78 0.00 0.00 0.00 179.25 180.43 3kbk h GLY 141 N 0.53 1.17 0.96 0.00 0.00 -0.69 -1.73 103.07 103.31 3kbk h GLY 141 Ca 0.14 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3kbk h GLY 141 CO -0.03 0.61 -0.00 -2.75 0.00 0.00 0.00 176.54 174.37 3kbk h PHE 142 N 1.05 -0.00 -0.82 5.60 3.57 -0.95 -1.36 116.94 124.03 3kbk h PHE 142 Ca 0.24 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 3kbk h PHE 142 Cb 0.23 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 3kbk h PHE 142 CO 0.02 -0.00 0.52 0.00 -2.23 0.00 0.00 178.31 176.62 3kbk h ALA 143 N 1.02 1.08 -0.33 2.41 0.00 -0.81 -0.20 119.26 122.43 3kbk h ALA 143 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kbk h ALA 143 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kbk h ALA 143 CO -0.02 0.34 0.02 0.22 0.00 0.00 0.00 179.25 179.81 3kbk h ASP 144 N 1.01 0.56 -0.36 0.00 3.58 -1.14 0.11 116.42 120.19 3kbk h ASP 144 Ca 0.33 -0.29 0.02 0.00 0.42 0.00 0.00 57.03 57.50 3kbk h ASP 144 Cb 0.02 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 3kbk h ASP 144 CO -0.12 0.71 0.21 -1.28 -2.88 0.00 0.00 179.24 175.88 3kbk h SER 145 N 0.39 0.33 -0.42 2.28 0.87 -0.81 -1.48 113.55 114.71 3kbk h SER 145 Ca 0.10 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3kbk h SER 145 Cb 0.41 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3kbk h SER 145 CO 0.01 0.24 0.03 0.58 -0.53 0.00 0.00 176.83 177.17 3kbk h VAL 146 N 0.42 1.25 -0.60 2.23 2.07 -0.97 -1.76 116.25 118.90 3kbk h VAL 146 Ca 0.14 -0.96 0.10 0.00 0.82 0.00 0.00 66.70 66.80 3kbk h VAL 146 Cb 0.01 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3kbk h VAL 146 CO -0.07 0.33 0.20 -0.09 0.02 0.00 0.00 177.57 177.96 3kbk h ARG 147 N 0.57 0.36 -0.56 1.57 2.43 -0.68 0.55 114.38 118.61 3kbk h ARG 147 Ca 0.12 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 3kbk h ARG 147 Cb 0.44 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3kbk h ARG 147 CO 0.02 0.24 -0.03 0.00 -1.51 0.00 0.00 179.97 178.69 3kbk h ARG 148 N 0.37 1.01 0.00 0.20 3.08 -1.07 -2.49 114.38 115.48 3kbk h ARG 148 Ca 0.30 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3kbk h ARG 148 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3kbk h ARG 148 CO -0.32 1.02 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.23 3kbk h LEU 149 N 0.90 0.00 0.00 3.04 3.38 -0.60 -2.32 115.31 119.70 3kbk h LEU 149 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kbk h LEU 149 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kbk h LEU 149 CO 0.03 0.30 0.00 -1.22 0.09 0.00 0.00 178.44 177.64 3kbk n TYR 150 N -4.04 0.00 1.06 1.13 4.01 0.12 -3.72 117.16 115.71 3kbk n TYR 150 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 3kbk n TYR 150 Cb 0.36 -0.23 0.34 0.00 -0.31 0.00 0.00 39.34 39.49 3kbk n TYR 150 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kbk n ALA 151 N -1.23 2.50 -0.11 -0.72 0.00 -0.87 -4.43 120.51 115.65 3kbk n ALA 151 Ca 0.13 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 3kbk n ALA 151 Cb 0.17 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 3kbk n ALA 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kbk n PHE 152 N 0.62 0.00 -4.45 0.00 3.72 -1.24 -5.04 117.46 111.06 3kbk n PHE 152 Ca 0.17 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.35 3kbk n PHE 152 Cb 0.41 -0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 37.97 3kbk n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kbk s LEU 153 N -6.09 2.07 0.96 4.37 1.43 -1.26 -5.02 118.68 115.14 3kbk s LEU 153 Ca -0.25 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 51.29 3kbk s LEU 153 Cb 0.07 -0.28 0.17 0.00 0.03 0.00 0.00 46.19 46.19 3kbk s LEU 153 CO 0.58 -0.70 1.10 -2.84 0.23 0.00 0.00 176.35 174.72 3kbk s PRO 154 N -3.87 0.67 0.54 1.29 0.02 -1.26 -4.75 135.00 127.63 3kbk s PRO 154 Ca 0.33 1.19 0.22 0.00 0.02 0.00 0.00 61.00 62.77 3kbk s PRO 154 Cb 0.07 -1.71 1.43 0.00 0.02 0.00 0.00 34.50 34.31 3kbk s PRO 154 CO 0.15 -2.76 2.10 0.00 -0.33 0.00 0.00 177.00 176.17 3kbk h ALA 155 N -1.94 2.07 -0.82 -1.55 0.00 -1.99 -0.42 119.26 114.61 3kbk h ALA 155 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kbk h ALA 155 Cb 1.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3kbk h ALA 155 CO 0.47 -0.25 0.53 1.79 0.00 0.00 0.00 179.25 181.79 3kbk h THR 156 N 0.00 1.22 -0.25 0.00 1.35 -2.00 0.76 112.91 113.99 3kbk h THR 156 Ca 0.09 -0.41 -0.13 0.00 -0.55 0.00 0.00 66.41 65.41 3kbk h THR 156 Cb 0.40 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.84 3kbk h THR 156 CO -0.00 0.21 -0.33 -0.25 -0.25 0.00 0.00 175.52 174.90 3kbk h TRP 157 N 1.12 0.83 -0.81 4.73 7.01 -1.41 -2.82 115.95 124.59 3kbk h TRP 157 Ca 0.30 -0.27 0.09 0.00 2.11 0.00 0.00 58.89 61.12 3kbk h TRP 157 Cb -0.11 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 26.71 3kbk h TRP 157 CO 0.00 1.02 0.47 -0.91 -2.79 0.00 0.00 178.44 176.23 3kbk h ASN 158 N 0.40 0.67 -0.44 2.65 2.35 -1.12 -0.52 115.58 119.57 3kbk h ASN 158 Ca 0.03 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3kbk h ASN 158 Cb 0.92 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 3kbk h ASN 158 CO 0.08 0.39 0.01 0.00 -1.65 0.00 0.00 177.43 176.26 3kbk h ALA 159 N 1.45 1.07 -0.30 -0.83 0.00 -0.81 -0.70 119.26 119.13 3kbk h ALA 159 Ca 0.39 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3kbk h ALA 159 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kbk h ALA 159 CO -0.24 0.59 -0.14 -0.09 0.00 0.00 0.00 179.25 179.37 3kbk h ARG 160 N 0.78 0.62 -0.33 0.00 2.43 -1.09 0.95 114.38 117.74 3kbk h ARG 160 Ca 0.15 -0.27 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3kbk h ARG 160 Cb 0.45 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 3kbk h ARG 160 CO 0.02 0.84 -0.06 0.35 -1.51 0.00 0.00 179.97 179.62 3kbk h PHE 161 N 0.38 -0.13 -0.08 2.20 3.57 -0.88 -0.11 116.94 121.90 3kbk h PHE 161 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3kbk h PHE 161 Cb 0.65 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 3kbk h PHE 161 CO 0.06 -0.12 0.05 0.00 -2.23 0.00 0.00 178.31 176.07 3kbk h ALA 162 N 1.31 0.10 -0.55 2.41 0.00 -0.99 0.13 119.26 121.68 3kbk h ALA 162 Ca 0.16 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3kbk h ALA 162 Cb 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 3kbk h ALA 162 CO -0.31 -0.40 0.05 -0.09 0.00 0.00 0.00 179.25 178.50 3kbk h ARG 163 N 0.10 0.16 -0.51 0.00 2.43 -0.43 -0.19 114.38 115.94 3kbk h ARG 163 Ca 0.03 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3kbk h ARG 163 Cb 0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3kbk h ARG 163 CO -0.01 0.11 -0.07 0.45 -1.51 0.00 0.00 179.97 178.94 3kbk h HIS 164 N 0.17 1.06 0.00 2.20 3.86 -0.66 -3.16 115.15 118.62 3kbk h HIS 164 Ca 0.28 -0.21 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 3kbk h HIS 164 Cb 0.43 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3kbk h HIS 164 CO -0.29 1.00 -0.46 0.35 0.86 0.00 0.00 177.93 179.38 3kbk h PHE 165 N 0.82 0.00 -1.01 2.45 3.57 0.04 -2.16 116.94 120.66 3kbk h PHE 165 Ca 0.14 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3kbk h PHE 165 Cb 0.62 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 3kbk h PHE 165 CO 0.05 0.46 0.65 0.45 -2.23 0.00 0.00 178.31 177.68 3kbk h HIS 166 N 0.00 1.21 -0.56 0.41 3.86 -1.03 -1.32 115.15 117.73 3kbk h HIS 166 Ca -0.00 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 3kbk h HIS 166 Cb 0.90 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3kbk h HIS 166 CO 0.00 0.64 0.01 1.15 0.86 0.00 0.00 177.93 180.59 3kbk h THR 167 N 1.20 1.26 -0.32 2.45 2.02 -1.40 -2.46 112.91 115.65 3kbk h THR 167 Ca 0.43 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3kbk h THR 167 Cb 0.13 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3kbk h THR 167 CO -0.16 0.39 0.14 0.58 0.37 0.00 0.00 175.52 176.84 3kbk h VAL 168 N 0.88 1.17 -0.69 3.16 2.07 -0.94 -1.38 116.25 120.51 3kbk h VAL 168 Ca 0.16 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.26 3kbk h VAL 168 Cb 0.50 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 3kbk h VAL 168 CO 0.02 0.18 0.36 0.40 0.02 0.00 0.00 177.57 178.55 3kbk h ILE 169 N 0.37 0.90 0.00 4.57 2.04 -1.13 -1.31 117.51 122.95 3kbk h ILE 169 Ca 0.11 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 3kbk h ILE 169 Cb 0.15 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3kbk h ILE 169 CO -0.01 0.12 -0.29 -0.33 0.00 0.00 0.00 178.15 177.63 3kbk h GLU 170 N 0.64 0.00 -0.54 2.37 4.39 -1.06 -0.78 114.58 119.60 3kbk h GLU 170 Ca 0.33 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.92 3kbk h GLU 170 Cb 0.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3kbk h GLU 170 CO -0.23 0.29 -0.09 0.00 -1.16 0.00 0.00 179.01 177.82 3kbk h ALA 171 N 1.71 0.74 -0.73 3.43 0.00 -0.18 -0.44 119.26 123.78 3kbk h ALA 171 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3kbk h ALA 171 Cb 0.53 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kbk h ALA 171 CO 0.04 0.64 0.36 1.88 0.00 0.00 0.00 179.25 182.16 3kbk h TYR 172 N 0.89 1.04 -0.46 0.00 -1.99 -0.77 -1.56 116.97 114.11 3kbk h TYR 172 Ca 0.14 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 3kbk h TYR 172 Cb 0.65 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 3kbk h TYR 172 CO 0.05 0.76 0.28 0.22 -0.00 0.00 0.00 178.16 179.47 3kbk h ASP 173 N 1.02 0.55 -0.63 3.88 3.58 -0.73 0.16 116.42 124.26 3kbk h ASP 173 Ca 0.25 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.70 3kbk h ASP 173 Cb 0.11 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 3kbk h ASP 173 CO -0.03 0.45 0.34 0.03 -2.88 0.00 0.00 179.24 177.14 3kbk h ARG 174 N 0.61 0.62 -0.47 0.28 3.08 -0.88 -1.69 114.38 115.92 3kbk h ARG 174 Ca 0.17 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3kbk h ARG 174 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3kbk h ARG 174 CO -0.03 0.41 0.08 1.49 -1.07 0.00 0.00 179.97 180.85 3kbk h GLU 175 N 0.63 0.73 -0.31 0.04 4.81 -0.67 -1.27 114.58 118.53 3kbk h GLU 175 Ca 0.28 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3kbk h GLU 175 Cb 0.18 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3kbk h GLU 175 CO -0.18 0.69 0.10 0.35 -0.73 0.00 0.00 179.01 179.24 3kbk h PHE 176 N 0.70 0.18 -0.32 0.92 3.57 0.22 0.02 116.94 122.23 3kbk h PHE 176 Ca 0.15 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 3kbk h PHE 176 Cb 0.32 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3kbk h PHE 176 CO 0.02 0.08 -0.49 0.45 -2.23 0.00 0.00 178.31 176.13 3kbk h HIS 177 N 0.24 1.10 0.02 0.41 3.86 -1.16 -0.35 115.15 119.28 3kbk h HIS 177 Ca 0.14 -0.37 0.01 0.00 -1.16 0.00 0.00 60.37 59.00 3kbk h HIS 177 Cb 0.12 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3kbk h HIS 177 CO -0.14 1.20 -0.10 -0.91 0.86 0.00 0.00 177.93 178.84 3kbk h ASN 178 N 0.70 -0.28 0.66 2.45 -0.26 -1.03 -2.67 115.58 115.15 3kbk h ASN 178 Ca 0.03 0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 3kbk h ASN 178 Cb 1.10 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 3kbk h ASN 178 CO 0.11 -0.15 -0.38 0.03 -1.06 0.00 0.00 177.43 175.98 3kbk h ARG 179 N -0.18 0.00 0.00 0.81 3.08 -0.94 -1.92 114.38 115.23 3kbk h ARG 179 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3kbk h ARG 179 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3kbk h ARG 179 CO -0.08 0.38 -0.12 1.15 -1.07 0.00 0.00 179.97 180.22 3kbk h THR 180 N 0.00 0.47 -0.66 2.04 2.02 -0.83 -2.91 112.91 113.03 3kbk h THR 180 Ca -0.00 -0.63 -0.38 0.00 0.77 0.00 0.00 66.41 66.17 3kbk h THR 180 Cb 0.82 1.44 -0.22 0.00 -1.74 0.00 0.00 68.15 68.44 3kbk h THR 180 CO 0.05 0.12 0.19 -2.11 0.37 0.00 0.00 175.52 174.14 3kbk n ARG 181 N -3.49 2.22 -0.79 6.66 1.85 -0.78 -4.93 116.66 117.41 3kbk n ARG 181 Ca -0.01 -3.24 0.00 0.00 -1.00 0.00 0.00 57.85 53.59 3kbk n ARG 181 Cb 0.28 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.66 3kbk n ARG 181 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kbk n GLY 182 N -1.07 0.89 3.64 2.89 0.00 -1.10 -5.01 105.19 105.42 3kbk n GLY 182 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 3kbk n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbk s ILE 183 N -3.55 4.77 -0.53 -0.61 1.01 -0.88 -5.00 121.20 116.41 3kbk s ILE 183 Ca 0.00 1.54 -0.18 0.00 0.00 0.00 0.00 60.65 62.02 3kbk s ILE 183 Cb 0.00 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.38 3kbk s ILE 183 CO 0.00 -0.17 0.59 -0.69 0.00 0.00 0.00 174.94 174.66 3kbk s VAL 184 N 3.00 4.98 0.16 2.92 1.01 -1.26 -3.61 120.40 127.60 3kbk s VAL 184 Ca 0.36 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3kbk s VAL 184 Cb -0.15 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.94 3kbk s VAL 184 CO 0.09 -0.88 1.74 1.55 0.00 0.00 0.00 175.10 177.60 3kbk h PRO 185 N 9.00 0.25 0.00 2.72 0.13 -1.96 -3.52 132.00 138.62 3kbk h PRO 185 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3kbk h PRO 185 Cb 1.10 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3kbk h PRO 185 CO 1.01 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 179.35 3kbk n GLY 186 N -1.23 -1.17 3.93 1.56 0.00 -1.26 -5.18 105.19 101.83 3kbk n GLY 186 Ca 0.02 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 3kbk n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kbk s GLU 188 N -2.00 3.13 -0.26 1.61 2.02 -1.26 -5.23 118.70 116.71 3kbk s GLU 188 Ca 0.00 -0.13 -0.11 0.00 0.02 0.00 0.00 54.97 54.75 3kbk s GLU 188 Cb 0.00 -2.40 0.10 0.00 0.10 0.00 0.00 34.13 31.93 3kbk s GLU 188 CO 0.00 -0.42 0.59 -2.00 0.02 0.00 0.00 175.26 173.45 3kbk s GLU 189 N -4.77 0.55 0.14 1.61 2.12 -1.26 -5.07 118.70 112.02 3kbk s GLU 189 Ca 0.50 1.23 -0.24 0.00 0.36 0.00 0.00 54.97 56.81 3kbk s GLU 189 Cb -0.10 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.73 3kbk s GLU 189 CO 0.42 -0.19 1.62 -0.92 -0.54 0.00 0.00 175.26 175.65 3kbk h TYR 190 N 7.60 -0.80 -2.02 5.30 3.20 -1.94 -3.11 116.97 125.21 3kbk h TYR 190 Ca -0.24 0.04 -0.58 0.00 3.14 0.00 0.00 58.73 61.10 3kbk h TYR 190 Cb 1.15 0.38 -0.42 0.00 1.54 0.00 0.00 36.73 39.38 3kbk h TYR 190 CO 0.16 -0.37 -0.72 1.28 -1.64 0.00 0.00 178.16 176.87 3kbk n LEU 191 N -5.40 4.24 -4.58 2.82 4.77 -1.26 -5.09 117.00 112.50 3kbk n LEU 191 Ca -0.02 -5.46 -0.33 0.00 -0.03 0.00 0.00 56.01 50.17 3kbk n LEU 191 Cb 0.31 -0.42 0.13 0.00 -2.33 0.00 0.00 43.42 41.11 3kbk n LEU 191 CO 0.15 2.30 0.42 -1.84 -1.33 0.00 0.00 177.39 177.08 3kbk n GLU 192 N -0.28 -0.09 -0.00 3.23 0.28 -1.18 -4.94 120.64 117.66 3kbk n GLU 192 Ca 0.32 0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.41 3kbk n GLU 192 Cb 0.50 -2.19 -0.06 0.00 1.43 0.00 0.00 31.44 31.12 3kbk n GLU 192 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kbk n LEU 193 N -2.60 0.46 -0.00 -1.84 4.77 -1.26 -4.76 117.00 111.77 3kbk n LEU 193 Ca 0.11 -0.44 -0.14 0.00 -0.03 0.00 0.00 56.01 55.51 3kbk n LEU 193 Cb 0.52 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 3kbk n LEU 193 CO 0.49 0.11 0.51 -0.09 -1.33 0.00 0.00 177.39 177.08 3kbk h ARG 194 N 0.00 -0.52 -0.01 3.23 2.43 -1.96 -1.11 114.38 116.44 3kbk h ARG 194 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3kbk h ARG 194 Cb 0.29 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3kbk h ARG 194 CO 0.00 -0.35 -0.33 0.00 -1.51 0.00 0.00 179.97 177.78 3kbk h ARG 195 N -0.54 0.01 -0.45 0.20 3.08 -2.02 -2.30 114.38 112.36 3kbk h ARG 195 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kbk h ARG 195 Cb 0.62 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3kbk h ARG 195 CO -0.39 0.35 0.28 -0.07 -1.07 0.00 0.00 179.97 179.07 3kbk h LEU 196 N 0.01 0.52 -1.82 3.04 4.07 -1.60 -1.05 115.31 118.49 3kbk h LEU 196 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3kbk h LEU 196 Cb 0.60 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3kbk h LEU 196 CO 0.04 0.39 0.00 0.71 -1.08 0.00 0.00 178.44 178.51 3kbk h THR 197 N 0.61 0.00 -0.01 0.22 1.35 -0.64 -1.04 112.91 113.41 3kbk h THR 197 Ca 0.16 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 3kbk h THR 197 Cb -0.05 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3kbk h THR 197 CO -0.03 0.00 -0.05 -0.26 -0.25 0.00 0.00 175.52 174.92 3kbk h PHE 198 N 0.00 0.01 -0.39 4.73 -1.00 -1.25 -2.36 116.94 116.67 3kbk h PHE 198 Ca 0.00 -0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 3kbk h PHE 198 Cb 0.27 -0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.74 3kbk h PHE 198 CO 0.00 0.06 0.18 0.00 -1.61 0.00 0.00 178.31 176.94 3kbk n ALA 199 N -2.53 3.64 -0.34 2.45 0.00 -0.40 -4.61 120.51 118.73 3kbk n ALA 199 Ca -0.03 -1.19 0.12 0.00 0.00 0.00 0.00 53.44 52.34 3kbk n ALA 199 Cb 0.14 -1.15 0.30 0.00 0.00 0.00 0.00 19.45 18.74 3kbk n ALA 199 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3kbk h HIS 200 N 1.15 0.96 -0.02 0.00 2.07 -1.57 0.11 115.15 117.85 3kbk h HIS 200 Ca 0.17 0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 57.60 3kbk h HIS 200 Cb 1.60 -0.28 -0.02 0.00 2.57 0.00 0.00 27.41 31.29 3kbk h HIS 200 CO 0.67 0.19 -0.57 -1.49 -3.07 0.00 0.00 177.93 173.66 3kbk h TRP 201 N 0.69 0.09 -0.33 6.12 -0.00 -1.88 -2.40 115.95 118.24 3kbk h TRP 201 Ca 0.56 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 59.36 3kbk h TRP 201 Cb 0.88 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.01 3kbk h TRP 201 CO -0.04 0.62 -0.01 0.82 -0.00 0.00 0.00 178.44 179.84 3kbk h ILE 202 N 0.05 1.26 -0.89 1.49 1.08 -1.19 0.76 117.51 120.08 3kbk h ILE 202 Ca -0.00 -0.97 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 3kbk h ILE 202 Cb 1.02 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 3kbk h ILE 202 CO 0.08 0.32 0.55 -0.50 -0.69 0.00 0.00 178.15 177.91 3kbk h TRP 203 N 0.38 1.15 -0.28 1.37 -0.00 -1.15 -0.48 115.95 116.94 3kbk h TRP 203 Ca 0.09 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.97 3kbk h TRP 203 Cb 0.46 -0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 29.22 3kbk h TRP 203 CO 0.04 0.75 0.09 1.15 -0.00 0.00 0.00 178.44 180.47 3kbk h THR 204 N 1.21 1.20 -0.75 1.49 2.02 -1.26 -2.88 112.91 113.95 3kbk h THR 204 Ca 0.32 -0.62 0.10 0.00 0.77 0.00 0.00 66.41 66.97 3kbk h THR 204 Cb -0.08 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 3kbk h THR 204 CO -0.06 0.21 0.39 0.44 0.37 0.00 0.00 175.52 176.86 3kbk h ASP 205 N 0.30 0.52 0.59 4.18 3.32 -0.30 -2.40 116.42 122.62 3kbk h ASP 205 Ca 0.09 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kbk h ASP 205 Cb 0.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3kbk h ASP 205 CO -0.00 0.29 0.00 0.18 -1.72 0.00 0.00 179.24 177.98 3kbk n LEU 206 N -4.84 0.28 0.16 1.55 4.77 -0.24 -1.87 117.00 116.82 3kbk n LEU 206 Ca 0.12 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.74 3kbk n LEU 206 Cb 0.29 -0.53 0.56 0.00 -2.33 0.00 0.00 43.42 41.41 3kbk n LEU 206 CO 0.25 -0.38 1.10 -0.07 -1.33 0.00 0.00 177.39 176.96 3kbk h LEU 207 N 0.00 0.17 -0.03 2.23 3.38 -1.35 -2.94 115.31 116.78 3kbk h LEU 207 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kbk h LEU 207 Cb 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kbk h LEU 207 CO 0.00 0.13 -0.06 -0.33 0.09 0.00 0.00 178.44 178.27 3kbk h GLU 208 N 0.20 0.09 0.00 1.13 5.08 -1.55 -1.92 114.58 117.61 3kbk h GLU 208 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3kbk h GLU 208 Cb -0.02 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kbk h GLU 208 CO -0.01 0.64 -0.14 -1.00 -1.00 0.00 0.00 179.01 177.49 3kbk h PRO 209 N -0.46 0.00 0.00 2.33 0.13 -1.74 0.15 132.00 132.42 3kbk h PRO 209 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3kbk h PRO 209 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3kbk h PRO 209 CO 0.01 0.14 -0.21 0.77 -0.23 0.00 0.00 178.00 178.49 3kbk h SER 210 N 0.00 0.00 -0.15 1.44 0.02 -1.28 -2.66 113.55 110.91 3kbk h SER 210 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kbk h SER 210 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3kbk h SER 210 CO 0.02 0.21 0.00 -1.54 -1.14 0.00 0.00 176.83 174.38 3kbk n SER 211 N -3.56 2.44 -0.04 3.07 3.41 -0.75 -3.08 113.62 115.11 3kbk n SER 211 Ca -0.01 -1.70 -0.00 0.00 -0.26 0.00 0.00 58.87 56.89 3kbk n SER 211 Cb 0.35 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3kbk n SER 211 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kbk n GLY 212 N 0.73 0.38 3.35 5.00 0.00 0.46 -4.85 105.19 110.25 3kbk n GLY 212 Ca 0.10 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 3kbk n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbk s GLU 214 N 1.38 4.25 0.18 0.00 2.12 -1.26 -4.51 118.70 120.86 3kbk s GLU 214 Ca -0.09 1.37 -0.30 0.00 0.36 0.00 0.00 54.97 56.31 3kbk s GLU 214 Cb -0.07 -3.65 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 3kbk s GLU 214 CO -0.13 -0.65 1.00 -0.51 -0.54 0.00 0.00 175.26 174.43 3kbk s LEU 215 N 3.24 4.55 0.64 2.70 1.43 -1.26 -5.01 118.68 124.97 3kbk s LEU 215 Ca 0.45 1.96 -0.18 0.00 -1.03 0.00 0.00 54.13 55.33 3kbk s LEU 215 Cb -0.15 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 3kbk s LEU 215 CO 0.07 -0.05 1.27 -2.65 0.23 0.00 0.00 176.35 175.22 3kbk n PRO 216 N 2.14 1.14 -0.32 1.29 -0.02 -1.26 -4.72 135.00 133.25 3kbk n PRO 216 Ca 0.01 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.07 3kbk n PRO 216 Cb 0.47 -2.50 0.33 0.00 -0.02 0.00 0.00 33.50 31.77 3kbk n PRO 216 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kbk h ASP 217 N 0.60 0.50 -0.33 2.55 3.32 -1.98 -0.87 116.42 120.20 3kbk h ASP 217 Ca -0.51 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 3kbk h ASP 217 Cb 1.34 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.95 3kbk h ASP 217 CO 0.53 0.07 0.15 0.00 -1.72 0.00 0.00 179.24 178.27 3kbk h ALA 218 N 1.70 1.54 0.01 3.45 0.00 -1.96 0.11 119.26 124.12 3kbk h ALA 218 Ca 0.58 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 3kbk h ALA 218 Cb 1.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kbk h ALA 218 CO -0.48 0.36 -0.01 0.28 0.00 0.00 0.00 179.25 179.40 3kbk h VAL 219 N 0.54 1.38 0.00 0.00 2.07 -1.53 -2.80 116.25 115.92 3kbk h VAL 219 Ca 0.13 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3kbk h VAL 219 Cb 0.12 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3kbk h VAL 219 CO -0.01 0.45 0.00 -2.11 0.02 0.00 0.00 177.57 175.92 3kbk n ARG 220 N -4.68 0.23 -0.03 1.57 1.85 -0.86 -1.86 116.66 112.88 3kbk n ARG 220 Ca -0.08 0.33 0.12 0.00 -1.00 0.00 0.00 57.85 57.23 3kbk n ARG 220 Cb 0.36 -1.85 0.16 0.00 -1.05 0.00 0.00 32.46 30.09 3kbk n ARG 220 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3kbk n LYS 221 N -2.26 2.30 -1.67 2.89 5.02 0.36 -3.88 118.16 120.92 3kbk n LYS 221 Ca 0.04 -1.90 -0.44 0.00 -2.02 0.00 0.00 58.31 53.99 3kbk n LYS 221 Cb 0.32 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 3kbk n LYS 221 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3kbk n HIS 222 N 1.26 2.15 -0.24 2.13 -0.00 -0.78 -4.74 115.22 115.01 3kbk n HIS 222 Ca 0.15 0.47 0.08 0.00 0.46 0.00 0.00 57.72 58.89 3kbk n HIS 222 Cb 0.58 -2.44 0.34 0.00 -0.12 0.00 0.00 29.99 28.35 3kbk n HIS 222 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3kbk h PRO 223 N 3.72 0.76 -0.44 1.57 0.11 -1.91 -0.71 132.00 135.09 3kbk h PRO 223 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3kbk h PRO 223 Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3kbk h PRO 223 CO 0.72 0.50 -0.13 0.00 -0.21 0.00 0.00 178.00 178.88 3kbk h ALA 224 N 1.58 0.60 0.08 -0.75 0.00 -1.92 0.15 119.26 119.01 3kbk h ALA 224 Ca 0.38 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kbk h ALA 224 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kbk h ALA 224 CO -0.15 0.51 -0.04 -0.92 0.00 0.00 0.00 179.25 178.65 3kbk h TYR 225 N 0.69 -0.10 -0.47 0.00 3.20 -1.64 -1.58 116.97 117.07 3kbk h TYR 225 Ca 0.11 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3kbk h TYR 225 Cb 0.67 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 3kbk h TYR 225 CO 0.05 0.21 0.24 -0.09 -1.64 0.00 0.00 178.16 176.93 3kbk h ARG 226 N -0.40 0.46 -0.40 1.82 9.65 -1.14 -0.28 114.38 124.09 3kbk h ARG 226 Ca -0.01 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 3kbk h ARG 226 Cb 0.34 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 3kbk h ARG 226 CO 0.02 0.31 0.02 0.00 2.80 0.00 0.00 179.97 183.12 3kbk h ARG 227 N 0.48 0.70 -0.60 0.20 2.47 -0.97 -0.02 114.38 116.64 3kbk h ARG 227 Ca 0.20 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3kbk h ARG 227 Cb 0.09 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 3kbk h ARG 227 CO -0.13 0.77 0.38 0.00 0.56 0.00 0.00 179.97 181.55 3kbk h ALA 228 N 0.90 0.77 -0.49 0.04 0.00 -1.02 -0.57 119.26 118.89 3kbk h ALA 228 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kbk h ALA 228 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kbk h ALA 228 CO 0.02 0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.62 3kbk h ALA 229 N 1.25 0.64 -0.23 0.00 0.00 -0.72 -1.68 119.26 118.51 3kbk h ALA 229 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kbk h ALA 229 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kbk h ALA 229 CO -0.08 0.23 0.10 1.25 0.00 0.00 0.00 179.25 180.74 3kbk h LEU 230 N 0.65 0.31 -0.67 0.00 5.85 -0.69 -2.84 115.31 117.92 3kbk h LEU 230 Ca 0.17 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3kbk h LEU 230 Cb 0.16 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3kbk h LEU 230 CO -0.02 0.37 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.27 3kbk h LEU 231 N 0.22 0.92 -0.25 2.25 3.38 -1.03 0.10 115.31 120.90 3kbk h LEU 231 Ca 0.08 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.79 3kbk h LEU 231 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3kbk h LEU 231 CO -0.01 1.04 0.02 -1.28 0.09 0.00 0.00 178.44 178.30 3kbk h SER 232 N 0.82 -0.06 -0.13 -0.43 0.87 -1.28 -0.76 113.55 112.58 3kbk h SER 232 Ca 0.13 0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.54 3kbk h SER 232 Cb 0.65 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3kbk h SER 232 CO 0.04 0.00 -0.68 1.56 -0.53 0.00 0.00 176.83 177.23 3kbk h GLN 233 N 0.10 0.76 -0.64 2.24 1.08 -1.24 -3.17 115.11 114.25 3kbk h GLN 233 Ca 0.12 -0.56 -0.02 0.00 -1.45 0.00 0.00 58.65 56.74 3kbk h GLN 233 Cb 0.14 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 3kbk h GLN 233 CO -0.19 1.18 0.33 1.49 -0.95 0.00 0.00 178.83 180.69 3kbk h GLU 234 N 0.55 0.88 -0.65 1.46 4.81 -0.59 -1.95 114.58 119.09 3kbk h GLU 234 Ca -0.02 -0.10 0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3kbk h GLU 234 Cb 1.29 -0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.39 3kbk h GLU 234 CO 0.14 0.67 0.03 0.35 -0.73 0.00 0.00 179.01 179.46 3kbk h PHE 235 N 0.89 0.01 -0.36 0.92 3.57 -1.11 -0.30 116.94 120.56 3kbk h PHE 235 Ca 0.22 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 3kbk h PHE 235 Cb 0.05 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3kbk h PHE 235 CO 0.01 -0.16 -0.15 0.00 -2.23 0.00 0.00 178.31 175.78 3kbk h ALA 236 N 1.58 1.06 0.08 2.41 0.00 -1.45 0.16 119.26 123.11 3kbk h ALA 236 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kbk h ALA 236 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kbk h ALA 236 CO -0.54 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.25 3kbk h ALA 237 N 1.25 -0.11 -0.49 0.00 0.00 -1.07 -0.20 119.26 118.63 3kbk h ALA 237 Ca 0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kbk h ALA 237 Cb 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3kbk h ALA 237 CO 0.04 -0.46 0.13 -1.49 0.00 0.00 0.00 179.25 177.47 3kbk h TRP 238 N -0.30 0.82 -0.65 0.00 4.06 -0.90 -2.41 115.95 116.56 3kbk h TRP 238 Ca -0.01 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 60.80 3kbk h TRP 238 Cb 0.26 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 3kbk h TRP 238 CO -0.01 0.73 0.24 -0.92 -3.56 0.00 0.00 178.44 174.92 3kbk h TYR 239 N 0.67 0.97 -0.72 0.49 3.20 -0.65 -0.84 116.97 120.11 3kbk h TYR 239 Ca 0.16 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3kbk h TYR 239 Cb 0.32 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3kbk h TYR 239 CO 0.02 0.76 0.39 -0.97 -1.64 0.00 0.00 178.16 176.72 3kbk h ASN 240 N 0.94 0.89 -0.24 -2.11 -1.24 -0.83 -1.04 115.58 111.94 3kbk h ASN 240 Ca 0.22 -0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.18 3kbk h ASN 240 Cb 0.21 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 3kbk h ASN 240 CO -0.02 0.71 0.07 0.44 -1.29 0.00 0.00 177.43 177.35 3kbk h ASP 241 N 1.00 0.06 -0.43 1.15 3.32 -0.79 -2.37 116.42 118.37 3kbk h ASP 241 Ca 0.25 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.35 3kbk h ASP 241 Cb 0.03 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3kbk h ASP 241 CO -0.04 0.06 0.26 0.25 -1.72 0.00 0.00 179.24 178.05 3kbk h LEU 242 N 0.17 0.42 -1.44 1.55 5.85 -0.46 -2.49 115.31 118.92 3kbk h LEU 242 Ca 0.11 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3kbk h LEU 242 Cb 0.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kbk h LEU 242 CO -0.13 0.30 -0.20 0.00 -0.34 0.00 0.00 178.44 178.07 3kbk h SER 244 N 0.00 0.13 0.20 0.00 0.02 -0.98 -3.38 113.55 109.54 3kbk h SER 244 Ca -0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3kbk h SER 244 Cb 0.59 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3kbk h SER 244 CO 0.03 1.03 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.51 3kbk h LEU 245 N 0.04 -0.42 -2.20 5.07 3.38 -1.28 -2.73 115.31 117.17 3kbk h LEU 245 Ca -0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kbk h LEU 245 Cb 1.68 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 3kbk h LEU 245 CO 0.14 -0.25 -0.05 -0.65 0.09 0.00 0.00 178.44 177.72 3kbk h PRO 246 N -0.37 0.00 0.00 1.13 0.11 -1.73 0.12 132.00 131.26 3kbk h PRO 246 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kbk h PRO 246 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3kbk h PRO 246 CO -0.02 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 179.45 3kbk n LYS 247 N -3.35 0.12 -0.22 1.05 4.76 -1.03 -2.74 118.16 116.75 3kbk n LYS 247 Ca -0.02 0.41 0.20 0.00 -2.87 0.00 0.00 58.31 56.03 3kbk n LYS 247 Cb 0.19 -1.75 0.54 0.00 -1.84 0.00 0.00 35.03 32.17 3kbk n LYS 247 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kbk h GLU 248 N 0.00 0.34 -0.30 1.97 3.07 -1.03 -1.88 114.58 116.76 3kbk h GLU 248 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3kbk h GLU 248 Cb 0.26 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3kbk h GLU 248 CO 0.00 0.23 0.19 -0.84 -1.40 0.00 0.00 179.01 177.19 3kbk h ILE 249 N 0.35 1.09 -0.16 3.13 3.07 -1.74 -3.53 117.51 119.72 3kbk h ILE 249 Ca 0.45 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.67 3kbk h ILE 249 Cb 1.19 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 3kbk h ILE 249 CO -0.15 0.09 0.00 0.00 -1.05 0.00 0.00 178.15 177.04 3kbk n ALA 250 N -2.19 2.50 -0.45 0.16 0.00 -0.71 -5.23 120.51 114.59 3kbk n ALA 250 Ca -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 3kbk n ALA 250 Cb 0.04 -1.06 0.23 0.00 0.00 0.00 0.00 19.45 18.66 3kbk n ALA 250 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3kbk n THR 268 N -0.01 0.00 0.04 0.00 5.66 -1.26 -5.14 114.28 113.57 3kbk n THR 268 Ca 0.10 -0.04 -0.11 0.00 -3.05 0.00 0.00 64.05 60.96 3kbk n THR 268 Cb 0.18 -0.82 -0.04 0.00 -1.55 0.00 0.00 70.33 68.10 3kbk n THR 268 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3kbk h LEU 269 N 0.00 -0.40 -0.58 1.09 5.85 -2.01 0.35 115.31 119.62 3kbk h LEU 269 Ca -0.31 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3kbk h LEU 269 Cb 1.05 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 3kbk h LEU 269 CO 0.19 -0.19 0.34 -0.08 -0.34 0.00 0.00 178.44 178.36 3kbk h GLU 270 N -0.21 0.65 0.00 1.25 4.81 -2.02 -0.96 114.58 118.09 3kbk h GLU 270 Ca 0.06 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3kbk h GLU 270 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3kbk h GLU 270 CO -0.15 0.43 -0.46 0.93 -0.73 0.00 0.00 179.01 179.03 3kbk h GLU 271 N 0.67 0.00 -0.05 1.92 4.39 -1.93 -1.81 114.58 117.77 3kbk h GLU 271 Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 3kbk h GLU 271 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kbk h GLU 271 CO -0.12 0.22 0.01 0.00 -1.16 0.00 0.00 179.01 177.96 3kbk h ALA 272 N 1.75 0.07 -0.96 3.43 0.00 0.14 -1.90 119.26 121.79 3kbk h ALA 272 Ca -0.02 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.88 3kbk h ALA 272 Cb 1.20 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 3kbk h ALA 272 CO 0.03 -0.32 0.61 0.82 0.00 0.00 0.00 179.25 180.40 3kbk h ILE 273 N -0.12 0.96 -0.13 0.00 2.04 -1.16 -2.64 117.51 116.46 3kbk h ILE 273 Ca 0.02 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3kbk h ILE 273 Cb 0.23 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 3kbk h ILE 273 CO -0.00 0.18 -0.04 1.23 0.00 0.00 0.00 178.15 179.52 3kbk h GLY 274 N 0.96 0.08 0.94 5.37 0.00 -0.82 0.11 103.07 109.71 3kbk h GLY 274 Ca 0.46 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 3kbk h GLY 274 CO -0.22 -0.06 0.15 -2.09 0.00 0.00 0.00 176.54 174.33 3kbk h GLU 275 N -0.02 0.48 -0.68 4.80 4.57 -1.11 -1.83 114.58 120.79 3kbk h GLU 275 Ca 0.06 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 3kbk h GLU 275 Cb 0.11 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3kbk h GLU 275 CO -0.14 0.45 0.18 0.28 -1.18 0.00 0.00 179.01 178.60 3kbk h VAL 276 N 0.39 1.25 -0.67 0.32 2.07 -1.35 -2.49 116.25 115.78 3kbk h VAL 276 Ca 0.11 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3kbk h VAL 276 Cb 0.14 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3kbk h VAL 276 CO -0.01 0.35 0.44 -0.09 0.02 0.00 0.00 177.57 178.28 3kbk h ARG 277 N 1.02 0.89 -0.55 1.57 2.43 -0.76 -0.24 114.38 118.75 3kbk h ARG 277 Ca 0.22 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3kbk h ARG 277 Cb 0.33 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3kbk h ARG 277 CO -0.00 0.60 0.20 0.00 -1.51 0.00 0.00 179.97 179.26 3kbk h ARG 278 N 0.91 0.80 -0.33 0.20 3.08 -1.06 -0.19 114.38 117.79 3kbk h ARG 278 Ca 0.25 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 3kbk h ARG 278 Cb -0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3kbk h ARG 278 CO -0.05 0.67 -0.32 0.00 -1.07 0.00 0.00 179.97 179.20 3kbk h ARG 279 N 0.79 0.81 -0.54 0.04 3.08 -0.94 -0.22 114.38 117.40 3kbk h ARG 279 Ca 0.19 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.85 3kbk h ARG 279 Cb 0.19 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3kbk h ARG 279 CO -0.01 1.05 0.29 0.28 -1.07 0.00 0.00 179.97 180.51 3kbk h VAL 280 N 0.58 0.99 -0.27 2.04 2.07 -0.71 -0.89 116.25 120.06 3kbk h VAL 280 Ca 0.05 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3kbk h VAL 280 Cb 0.90 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3kbk h VAL 280 CO 0.08 0.10 -0.24 -0.33 0.02 0.00 0.00 177.57 177.21 3kbk h GLU 281 N 0.57 0.51 -0.40 1.57 4.39 -0.87 -2.76 114.58 117.59 3kbk h GLU 281 Ca 0.23 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 3kbk h GLU 281 Cb 0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3kbk h GLU 281 CO -0.14 0.72 -0.28 1.49 -1.16 0.00 0.00 179.01 179.63 3kbk h GLU 282 N 0.46 0.85 -0.60 2.33 4.81 -0.62 -1.69 114.58 120.11 3kbk h GLU 282 Ca 0.07 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3kbk h GLU 282 Cb 0.66 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3kbk h GLU 282 CO 0.05 1.02 0.28 0.00 -0.73 0.00 0.00 179.01 179.63 3kbk h ILE 284 N 0.52 0.66 -0.16 0.00 2.04 -1.24 -0.82 117.51 118.51 3kbk h ILE 284 Ca 0.29 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 3kbk h ILE 284 Cb 0.27 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3kbk h ILE 284 CO -0.23 0.06 -0.29 0.71 0.00 0.00 0.00 178.15 178.40 3kbk h THR 285 N -0.65 1.26 -0.39 -0.27 1.35 -1.27 -0.59 112.91 112.34 3kbk h THR 285 Ca -0.05 -1.24 -0.06 0.00 -0.55 0.00 0.00 66.41 64.51 3kbk h THR 285 Cb 0.47 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3kbk h THR 285 CO 0.08 0.38 0.01 -0.33 -0.25 0.00 0.00 175.52 175.41 3kbk h GLU 286 N 0.26 0.68 -0.47 4.72 5.08 -1.04 -2.80 114.58 121.01 3kbk h GLU 286 Ca 0.04 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3kbk h GLU 286 Cb 0.65 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3kbk h GLU 286 CO 0.05 0.77 0.29 0.35 -1.00 0.00 0.00 179.01 179.46 3kbk h PHE 287 N 0.51 0.54 -1.00 4.33 3.57 -0.73 -1.26 116.94 122.90 3kbk h PHE 287 Ca 0.11 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.74 3kbk h PHE 287 Cb 0.45 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.93 3kbk h PHE 287 CO 0.03 0.32 0.63 -0.07 -2.23 0.00 0.00 178.31 176.99 3kbk h LEU 288 N 0.58 0.94 -0.07 0.59 3.38 -1.00 0.56 115.31 120.29 3kbk h LEU 288 Ca 0.18 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3kbk h LEU 288 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3kbk h LEU 288 CO -0.07 0.52 -0.03 0.00 0.09 0.00 0.00 178.44 178.95 3kbk h ALA 289 N 1.52 0.10 0.00 1.53 0.00 -1.19 -2.89 119.26 118.33 3kbk h ALA 289 Ca 0.48 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3kbk h ALA 289 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kbk h ALA 289 CO -0.25 -0.16 -0.45 -0.24 0.00 0.00 0.00 179.25 178.16 3kbk h VAL 290 N -0.23 1.10 -0.55 0.00 3.04 -0.75 -2.61 116.25 116.26 3kbk h VAL 290 Ca 0.02 -1.65 0.05 0.00 -1.01 0.00 0.00 66.70 64.10 3kbk h VAL 290 Cb 0.47 1.95 -0.05 0.00 -2.01 0.00 0.00 31.29 31.65 3kbk h VAL 290 CO 0.01 0.44 0.29 -0.08 -1.01 0.00 0.00 177.57 177.21 3kbk h GLU 291 N 0.00 0.53 -0.45 4.17 4.81 0.14 0.18 114.58 123.97 3kbk h GLU 291 Ca -0.00 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3kbk h GLU 291 Cb 0.91 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 3kbk h GLU 291 CO 0.06 0.35 0.23 -0.09 -0.73 0.00 0.00 179.01 178.83 3kbk h ARG 292 N 0.55 0.44 -0.77 1.92 2.43 -1.25 -1.03 114.38 116.66 3kbk h ARG 292 Ca 0.24 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3kbk h ARG 292 Cb 0.14 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3kbk h ARG 292 CO -0.16 0.29 0.50 -0.44 -1.51 0.00 0.00 179.97 178.64 3kbk h ASP 293 N 0.45 0.83 -0.63 -3.80 3.32 -1.15 -1.70 116.42 113.74 3kbk h ASP 293 Ca 0.19 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3kbk h ASP 293 Cb 0.09 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3kbk h ASP 293 CO -0.13 0.57 0.16 0.00 -1.72 0.00 0.00 179.24 178.13 3kbk h ALA 294 N 1.32 1.05 -0.00 3.45 0.00 -0.11 -1.31 119.26 123.66 3kbk h ALA 294 Ca 0.30 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3kbk h ALA 294 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kbk h ALA 294 CO -0.10 0.63 -0.62 -0.07 0.00 0.00 0.00 179.25 179.09 3kbk h LEU 295 N 0.99 0.01 -0.37 0.00 3.38 -0.92 -0.88 115.31 117.52 3kbk h LEU 295 Ca 0.21 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3kbk h LEU 295 Cb 0.34 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kbk h LEU 295 CO 0.00 0.63 -0.01 0.03 0.09 0.00 0.00 178.44 179.18 3kbk h ARG 296 N 0.01 0.66 -0.77 1.13 3.08 -1.02 -1.05 114.38 116.41 3kbk h ARG 296 Ca -0.01 -0.22 0.07 0.00 0.07 0.00 0.00 59.98 59.90 3kbk h ARG 296 Cb 1.10 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 3kbk h ARG 296 CO 0.08 0.77 0.44 0.35 -1.07 0.00 0.00 179.97 180.55 3kbk h PHE 297 N 0.47 0.81 -0.65 3.04 3.57 -1.00 -1.19 116.94 121.99 3kbk h PHE 297 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3kbk h PHE 297 Cb 0.49 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3kbk h PHE 297 CO 0.04 0.37 0.42 0.00 -2.23 0.00 0.00 178.31 176.91 3kbk h ALA 298 N 1.40 0.82 -0.67 2.41 0.00 -0.81 -1.28 119.26 121.14 3kbk h ALA 298 Ca 0.35 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3kbk h ALA 298 Cb 0.25 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3kbk h ALA 298 CO -0.21 0.23 0.32 -0.44 0.00 0.00 0.00 179.25 179.15 3kbk h ASP 299 N 0.86 0.40 -0.23 0.00 3.32 -0.41 -1.95 116.42 118.40 3kbk h ASP 299 Ca 0.24 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 3kbk h ASP 299 Cb -0.08 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3kbk h ASP 299 CO -0.06 0.23 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.33 3kbk h GLU 300 N 0.55 0.56 -0.18 3.56 5.08 -0.30 -2.55 114.58 121.29 3kbk h GLU 300 Ca 0.33 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3kbk h GLU 300 Cb 0.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3kbk h GLU 300 CO -0.27 0.61 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.01 3kbk h LEU 301 N 0.53 0.35 -7.01 1.33 3.38 -0.52 -3.36 115.31 110.01 3kbk h LEU 301 Ca 0.11 -0.11 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 3kbk h LEU 301 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kbk h LEU 301 CO 0.02 0.62 2.18 0.00 0.09 0.00 0.00 178.44 181.34 3kbk n ALA 302 N -2.48 3.51 1.01 1.53 0.00 -0.95 -4.42 120.51 118.72 3kbk n ALA 302 Ca -0.01 -3.48 0.07 0.00 0.00 0.00 0.00 53.44 50.02 3kbk n ALA 302 Cb 0.40 -3.57 0.20 0.00 0.00 0.00 0.00 19.45 16.48 3kbk n ALA 302 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kbk n ASP 303 N 9.03 1.74 0.00 0.00 5.68 -1.26 -4.89 116.55 126.85 3kbk n ASP 303 Ca 0.49 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 3kbk n ASP 303 Cb 0.43 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3kbk n ASP 303 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kbk n GLY 304 N 1.05 3.12 3.83 6.12 0.00 -1.26 -5.07 105.19 112.98 3kbk n GLY 304 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3kbk n GLY 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kbk s THR 305 N -2.84 3.80 0.18 2.61 -4.23 -1.26 -4.92 115.64 108.97 3kbk s THR 305 Ca 0.00 0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 3kbk s THR 305 Cb 0.00 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.48 3kbk s THR 305 CO 0.00 -0.76 1.58 0.58 -0.54 0.00 0.00 174.62 175.48 3kbk h VAL 306 N -0.77 1.27 -0.28 2.29 2.07 -1.98 -1.26 116.25 117.59 3kbk h VAL 306 Ca -0.45 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 3kbk h VAL 306 Cb 1.23 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3kbk h VAL 306 CO 0.59 0.47 0.15 -0.09 0.02 0.00 0.00 177.57 178.70 3kbk h ARG 307 N 0.79 0.40 -0.74 1.57 9.65 -1.97 -0.09 114.38 123.99 3kbk h ARG 307 Ca 0.10 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3kbk h ARG 307 Cb 0.78 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.24 3kbk h ARG 307 CO 0.06 0.36 0.49 0.78 2.80 0.00 0.00 179.97 184.46 3kbk h GLY 308 N 0.33 1.05 1.30 2.80 0.00 -1.75 -1.06 103.07 105.74 3kbk h GLY 308 Ca 0.10 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3kbk h GLY 308 CO -0.01 0.36 0.11 1.70 0.00 0.00 0.00 176.54 178.70 3kbk h LYS 309 N 0.98 0.87 0.03 4.80 3.64 -0.86 0.73 116.57 126.76 3kbk h LYS 309 Ca 0.28 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kbk h LYS 309 Cb -0.08 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3kbk h LYS 309 CO -0.07 0.80 -0.02 0.93 -2.27 0.00 0.00 179.45 178.82 3kbk h GLU 310 N 0.84 -0.04 -0.57 1.90 5.08 -0.44 -0.41 114.58 120.94 3kbk h GLU 310 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3kbk h GLU 310 Cb 0.33 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3kbk h GLU 310 CO 0.00 0.35 0.32 -0.07 -1.00 0.00 0.00 179.01 178.61 3kbk h LEU 311 N -0.44 0.70 -0.06 1.33 3.38 -1.14 -0.22 115.31 118.87 3kbk h LEU 311 Ca -0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kbk h LEU 311 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kbk h LEU 311 CO 0.01 0.58 -0.03 -1.28 0.09 0.00 0.00 178.44 177.81 3kbk h SER 312 N 0.76 -0.09 -0.85 -0.43 0.87 -0.84 -0.44 113.55 112.53 3kbk h SER 312 Ca 0.20 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3kbk h SER 312 Cb 0.03 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 3kbk h SER 312 CO -0.03 -0.04 0.56 1.23 -0.53 0.00 0.00 176.83 178.02 3kbk h GLY 313 N -0.02 1.20 0.95 5.77 0.00 -0.80 -1.84 103.07 108.32 3kbk h GLY 313 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 3kbk h GLY 313 CO -0.07 0.44 -0.29 0.00 0.00 0.00 0.00 176.54 176.61 3kbk h ALA 314 N 1.47 0.39 -0.27 3.60 0.00 -0.67 -1.35 119.26 122.43 3kbk h ALA 314 Ca 0.31 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kbk h ALA 314 Cb -0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3kbk h ALA 314 CO -0.07 0.40 0.08 0.28 0.00 0.00 0.00 179.25 179.94 3kbk h VAL 315 N 0.38 0.91 -0.54 0.00 2.07 -0.89 0.92 116.25 119.10 3kbk h VAL 315 Ca 0.04 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kbk h VAL 315 Cb 0.87 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3kbk h VAL 315 CO 0.07 0.03 0.35 0.03 0.02 0.00 0.00 177.57 178.07 3kbk h ARG 316 N 0.19 0.68 -0.35 1.57 3.08 -1.25 0.60 114.38 118.90 3kbk h ARG 316 Ca 0.12 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3kbk h ARG 316 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3kbk h ARG 316 CO -0.14 0.45 0.12 0.00 -1.07 0.00 0.00 179.97 179.33 3kbk h ALA 317 N 1.21 0.46 -0.08 0.04 0.00 -1.00 -0.27 119.26 119.61 3kbk h ALA 317 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kbk h ALA 317 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kbk h ALA 317 CO -0.06 0.08 0.03 -0.91 0.00 0.00 0.00 179.25 178.40 3kbk h ASN 318 N 0.41 0.12 -0.91 0.00 -0.26 -0.49 -0.98 115.58 113.47 3kbk h ASN 318 Ca 0.11 -0.18 0.04 0.00 -0.56 0.00 0.00 56.30 55.72 3kbk h ASN 318 Cb 0.23 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.40 3kbk h ASN 318 CO -0.01 0.26 0.59 0.58 -1.06 0.00 0.00 177.43 177.80 3kbk h VAL 319 N -0.03 1.14 -0.84 2.81 2.07 -0.87 0.20 116.25 120.73 3kbk h VAL 319 Ca 0.03 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3kbk h VAL 319 Cb 0.18 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 3kbk h VAL 319 CO -0.00 0.21 0.55 1.23 0.02 0.00 0.00 177.57 179.58 3kbk h GLY 320 N 1.14 1.18 1.83 2.17 0.00 -0.68 -0.89 103.07 107.82 3kbk h GLY 320 Ca 0.37 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 3kbk h GLY 320 CO -0.12 0.41 -0.83 3.43 0.00 0.00 0.00 176.54 179.43 3kbk h ASN 321 N 1.11 0.20 -0.70 0.19 2.35 -0.16 0.02 115.58 118.59 3kbk h ASN 321 Ca 0.31 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 3kbk h ASN 321 Cb -0.09 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 3kbk h ASN 321 CO -0.07 0.94 0.46 0.24 -1.65 0.00 0.00 177.43 177.35 3kbk h MET 322 N 0.09 0.77 -0.19 0.81 2.86 0.01 -0.48 114.93 118.80 3kbk h MET 322 Ca -0.03 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3kbk h MET 322 Cb 1.44 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 3kbk h MET 322 CO 0.12 0.51 -0.17 -0.09 1.06 0.00 0.00 176.91 178.35 3kbk h ARG 323 N 0.80 0.45 0.00 1.72 2.43 -0.85 -3.19 114.38 115.74 3kbk h ARG 323 Ca 0.29 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3kbk h ARG 323 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3kbk h ARG 323 CO -0.09 0.79 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.23 3kbk h ASN 324 N 0.12 0.00 -0.91 -3.80 -0.26 -0.27 -2.14 115.58 108.32 3kbk h ASN 324 Ca 0.03 0.00 0.09 0.00 -0.56 0.00 0.00 56.30 55.86 3kbk h ASN 324 Cb 0.70 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.89 3kbk h ASN 324 CO 0.04 0.02 0.56 -0.25 -1.06 0.00 0.00 177.43 176.75 3kbk h TRP 325 N 0.00 1.03 -0.08 1.19 2.91 -1.09 0.80 115.95 120.71 3kbk h TRP 325 Ca -0.00 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.09 3kbk h TRP 325 Cb 0.04 -0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 28.31 3kbk h TRP 325 CO 0.00 0.47 -0.19 0.74 -1.03 0.00 0.00 178.44 178.43 3kbk h PHE 326 N 0.97 -0.50 -0.07 2.65 0.04 -1.50 -0.19 116.94 118.34 3kbk h PHE 326 Ca 0.42 0.02 -0.23 0.00 2.80 0.00 0.00 57.97 60.98 3kbk h PHE 326 Cb 0.30 0.24 0.01 0.00 2.20 0.00 0.00 35.95 38.70 3kbk h PHE 326 CO -0.03 -0.27 -0.88 0.66 -0.60 0.00 0.00 178.31 177.20 3kbk h SER 327 N -0.27 0.80 -0.06 2.17 4.64 -1.58 -1.89 113.55 117.37 3kbk h SER 327 Ca 0.08 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kbk h SER 327 Cb 0.39 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3kbk h SER 327 CO -0.24 1.37 0.02 -1.28 -0.87 0.00 0.00 176.83 175.83 3kbk h SER 328 N 0.41 0.02 -0.11 4.97 0.87 -0.69 -1.60 113.55 117.43 3kbk h SER 328 Ca -0.08 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3kbk h SER 328 Cb 1.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 3kbk h SER 328 CO 0.17 0.02 0.04 0.58 -0.53 0.00 0.00 176.83 177.11 3kbk h VAL 329 N 0.05 0.98 0.07 2.23 2.07 -1.05 0.67 116.25 121.26 3kbk h VAL 329 Ca 0.02 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3kbk h VAL 329 Cb 0.01 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3kbk h VAL 329 CO -0.02 0.02 -0.20 0.22 0.02 0.00 0.00 177.57 177.61 3kbk h TYR 330 N 0.10 -0.53 0.00 1.57 3.20 -1.22 -1.01 116.97 119.08 3kbk h TYR 330 Ca 0.05 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 3kbk h TYR 330 Cb 0.02 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3kbk h TYR 330 CO -0.10 -0.29 -0.65 -1.49 -1.64 0.00 0.00 178.16 173.99 3kbk h TRP 331 N -0.36 0.00 -0.40 -3.82 4.06 -1.29 -2.72 115.95 111.43 3kbk h TRP 331 Ca 0.04 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 3kbk h TRP 331 Cb 0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 3kbk h TRP 331 CO -0.21 0.65 0.12 0.35 -3.56 0.00 0.00 178.44 175.79 3kbk h PHE 332 N 0.00 0.65 -0.32 0.49 3.57 -0.58 -0.16 116.94 120.60 3kbk h PHE 332 Ca -0.01 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.44 3kbk h PHE 332 Cb 1.20 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3kbk h PHE 332 CO 0.00 0.61 0.19 1.25 -2.23 0.00 0.00 178.31 178.14 3kbk h HIS 333 N 0.51 0.37 -0.13 0.41 2.76 -1.09 0.16 115.15 118.13 3kbk h HIS 333 Ca 0.13 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 3kbk h HIS 333 Cb 0.27 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 3kbk h HIS 333 CO 0.01 0.22 -0.05 1.25 -1.30 0.00 0.00 177.93 178.07 3kbk h HIS 334 N 0.40 -0.10 -0.22 5.26 -0.00 -1.27 -2.43 115.15 116.78 3kbk h HIS 334 Ca 0.12 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.42 3kbk h HIS 334 Cb -0.02 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 3kbk h HIS 334 CO -0.07 -0.08 -0.23 0.93 -0.00 0.00 0.00 177.93 178.48 3kbk h GLU 335 N -0.02 0.40 0.00 5.26 5.08 -0.79 -2.66 114.58 121.86 3kbk h GLU 335 Ca 0.07 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3kbk h GLU 335 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kbk h GLU 335 CO -0.15 0.62 -0.26 0.66 -1.00 0.00 0.00 179.01 178.88 3kbk h SER 336 N 0.36 0.00 0.00 1.42 4.64 -0.37 -1.90 113.55 117.70 3kbk h SER 336 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kbk h SER 336 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3kbk h SER 336 CO 0.04 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 3kbk n GLY 337 N -0.43 -0.37 0.67 -0.77 0.00 -0.95 -1.07 105.19 102.27 3kbk n GLY 337 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3kbk n GLY 337 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kbk n ARG 338 N -1.37 1.86 0.00 1.61 1.74 -0.72 -5.13 116.66 114.66 3kbk n ARG 338 Ca 0.00 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 3kbk n ARG 338 Cb 0.00 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3kbk n ARG 338 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77