#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkw h HIS -17 N 0.00 0.00 -0.02 7.33 -0.00 -2.03 -3.14 115.15 117.29 3kkw h HIS -17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3kkw h HIS -17 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3kkw h HIS -17 CO 0.00 0.12 -0.02 0.72 -0.00 0.00 0.00 177.93 178.75 3kkw n HIS -16 N -3.82 0.00 -2.54 2.45 -0.00 -1.26 -4.87 115.22 105.19 3kkw n HIS -16 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.31 3kkw n HIS -16 Cb 0.22 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.16 3kkw n HIS -16 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3kkw s HIS -15 N -1.51 3.58 0.30 4.41 0.09 -1.19 -4.96 115.29 116.01 3kkw s HIS -15 Ca 0.20 1.72 -0.02 0.00 -0.00 0.00 0.00 55.06 56.97 3kkw s HIS -15 Cb 0.15 -3.20 0.43 0.00 -0.00 0.00 0.00 32.58 29.97 3kkw s HIS -15 CO 0.23 -0.40 1.96 1.25 -0.00 0.00 0.00 174.74 177.79 3kkw h HIS -14 N 3.57 1.06 -2.30 1.40 2.76 -1.89 -3.45 115.15 116.28 3kkw h HIS -14 Ca -0.47 0.03 -0.62 0.00 -2.20 0.00 0.00 60.37 57.11 3kkw h HIS -14 Cb 1.21 -0.36 0.08 0.00 1.55 0.00 0.00 27.41 29.89 3kkw h HIS -14 CO 0.59 0.66 0.43 0.72 -1.30 0.00 0.00 177.93 179.03 3kkw n HIS -13 N -4.41 1.71 0.00 5.26 -0.00 -1.26 -5.19 115.22 111.33 3kkw n HIS -13 Ca 0.10 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 3kkw n HIS -13 Cb 0.03 -2.36 0.00 0.00 -0.00 0.00 0.00 29.99 27.66 3kkw n HIS -13 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3kkw n HIS -12 N 1.67 0.00 -3.41 4.41 -0.00 -1.26 -4.91 115.22 111.72 3kkw n HIS -12 Ca 0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.54 3kkw n HIS -12 Cb 0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.21 3kkw n HIS -12 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3kkw n MET 1 N 0.00 2.88 -2.73 -0.41 0.00 -1.26 -5.12 117.12 110.48 3kkw n MET 1 Ca 0.00 -4.62 -0.43 0.00 0.00 0.00 0.00 57.70 52.66 3kkw n MET 1 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 33.22 30.86 3kkw n MET 1 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 3kkw s GLN 2 N -2.34 4.22 0.09 2.12 0.00 -1.26 -5.03 119.66 117.46 3kkw s GLN 2 Ca 0.35 1.20 0.09 0.00 -0.00 0.00 0.00 55.36 57.01 3kkw s GLN 2 Cb 0.09 -3.65 -0.04 0.00 0.00 0.00 0.00 33.01 29.41 3kkw s GLN 2 CO -0.01 -0.61 -0.22 -0.51 0.00 0.00 0.00 175.29 173.93 3kkw s LEU 3 N 3.12 2.49 0.33 2.60 1.43 -1.26 -4.45 118.68 122.94 3kkw s LEU 3 Ca 0.41 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3kkw s LEU 3 Cb -0.15 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 3kkw s LEU 3 CO 0.07 0.21 0.08 -0.94 0.23 0.00 0.00 176.35 176.00 3kkw s SER 4 N -1.78 2.29 0.09 2.29 1.04 -0.18 -4.97 113.70 112.47 3kkw s SER 4 Ca 0.15 -1.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.12 3kkw s SER 4 Cb -0.10 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 3kkw s SER 4 CO 0.06 -0.69 0.06 -1.38 0.98 0.00 0.00 173.24 172.27 3kkw s HIS 5 N -3.34 0.54 0.07 5.02 -3.43 -1.26 -0.50 115.29 112.38 3kkw s HIS 5 Ca 0.34 -1.01 -0.26 0.00 -0.80 0.00 0.00 55.06 53.33 3kkw s HIS 5 Cb 0.07 -0.33 0.09 0.00 -1.43 0.00 0.00 32.58 30.98 3kkw s HIS 5 CO 0.15 -0.47 0.80 -0.98 -2.00 0.00 0.00 174.74 172.24 3kkw s ARG 6 N -3.95 1.02 0.50 -0.38 1.70 -0.90 -5.00 118.95 111.95 3kkw s ARG 6 Ca 0.12 -0.40 -0.23 0.00 -0.47 0.00 0.00 55.73 54.75 3kkw s ARG 6 Cb 0.07 0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 34.83 3kkw s ARG 6 CO -0.06 -0.45 1.25 -2.30 -1.08 0.00 0.00 175.30 172.65 3kkw n PRO 7 N -0.31 1.65 -2.00 3.89 -0.02 -1.26 -1.15 135.00 135.80 3kkw n PRO 7 Ca -0.11 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 3kkw n PRO 7 Cb 0.63 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.71 3kkw n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kkw s ALA 8 N -1.29 3.05 0.21 3.55 0.00 -0.46 -4.64 121.76 122.19 3kkw s ALA 8 Ca 0.67 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.93 3kkw s ALA 8 Cb -0.46 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.12 3kkw s ALA 8 CO 0.53 -0.98 -0.16 -1.21 0.00 0.00 0.00 175.76 173.94 3kkw s GLU 9 N -2.58 1.37 0.28 0.00 2.02 -1.26 -4.97 118.70 113.57 3kkw s GLU 9 Ca 0.63 -1.59 0.02 0.00 0.02 0.00 0.00 54.97 54.05 3kkw s GLU 9 Cb -0.37 -1.23 0.62 0.00 0.10 0.00 0.00 34.13 33.24 3kkw s GLU 9 CO 0.46 0.22 1.76 1.15 0.02 0.00 0.00 175.26 178.86 3kkw h THR 10 N 2.60 0.71 0.00 3.63 2.02 -2.03 -0.84 112.91 118.99 3kkw h THR 10 Ca -0.39 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3kkw h THR 10 Cb 1.22 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3kkw h THR 10 CO 0.60 0.12 -0.00 1.23 0.37 0.00 0.00 175.52 177.84 3kkw h GLY 11 N 0.66 0.00 2.00 2.16 0.00 -2.02 -2.01 103.07 103.87 3kkw h GLY 11 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3kkw h GLY 11 CO -0.38 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.61 3kkw h ASP 12 N 0.00 0.00 0.24 0.19 3.32 -1.56 -3.38 116.42 115.23 3kkw h ASP 12 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3kkw h ASP 12 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3kkw h ASP 12 CO 0.00 0.00 -0.48 -0.07 -1.72 0.00 0.00 179.24 176.97 3kkw h LEU 13 N 0.00 0.31 -0.67 1.55 3.38 -1.40 -1.34 115.31 117.15 3kkw h LEU 13 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kkw h LEU 13 Cb 0.85 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3kkw h LEU 13 CO 0.00 0.75 0.37 -0.08 0.09 0.00 0.00 178.44 179.57 3kkw h GLU 14 N 0.23 0.93 0.39 1.13 4.57 -1.78 -0.07 114.58 119.97 3kkw h GLU 14 Ca 0.01 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3kkw h GLU 14 Cb 0.94 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3kkw h GLU 14 CO 0.08 0.69 -0.19 1.15 -1.18 0.00 0.00 179.01 179.56 3kkw h THR 15 N 0.91 0.63 -0.83 0.32 2.02 -1.70 -2.50 112.91 111.76 3kkw h THR 15 Ca 0.23 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3kkw h THR 15 Cb 0.03 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 3kkw h THR 15 CO -0.04 0.03 0.55 0.58 0.37 0.00 0.00 175.52 177.01 3kkw h VAL 16 N -0.61 1.19 0.00 3.16 2.07 -1.16 -1.58 116.25 119.32 3kkw h VAL 16 Ca -0.05 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3kkw h VAL 16 Cb 0.45 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3kkw h VAL 16 CO 0.09 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.88 3kkw h ALA 17 N 1.32 1.00 -0.00 1.67 0.00 -0.89 -0.57 119.26 121.78 3kkw h ALA 17 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kkw h ALA 17 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kkw h ALA 17 CO -0.08 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.56 3kkw n GLY 18 N -0.37 -1.09 0.15 0.00 0.00 -0.60 -4.33 105.19 98.95 3kkw n GLY 18 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 3kkw n GLY 18 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kkw h PHE 19 N 0.17 0.55 -2.89 1.61 0.04 -1.12 -3.43 116.94 111.87 3kkw h PHE 19 Ca 0.00 -0.24 -0.54 0.00 2.80 0.00 0.00 57.97 59.99 3kkw h PHE 19 Cb 0.21 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 3kkw h PHE 19 CO 0.00 0.98 0.85 -2.14 -0.60 0.00 0.00 178.31 177.40 3kkw s PRO 20 N -3.70 4.28 0.00 1.51 0.02 -1.26 -4.52 135.00 131.33 3kkw s PRO 20 Ca -0.14 1.96 0.23 0.00 0.02 0.00 0.00 61.00 63.07 3kkw s PRO 20 Cb 0.05 -3.61 0.09 0.00 0.02 0.00 0.00 34.50 31.05 3kkw s PRO 20 CO 0.79 -0.60 1.12 1.04 -0.33 0.00 0.00 177.00 179.02 3kkw n GLN 21 N 5.53 0.04 -3.82 5.54 1.13 -1.26 -4.91 117.38 119.62 3kkw n GLN 21 Ca 0.13 -0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.13 3kkw n GLN 21 Cb 0.44 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.26 3kkw n GLN 21 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 3kkw s ASP 22 N -3.11 -0.22 0.31 1.08 1.47 -1.26 -5.03 116.67 109.91 3kkw s ASP 22 Ca 0.09 -0.56 0.01 0.00 1.18 0.00 0.00 52.55 53.27 3kkw s ASP 22 Cb 0.16 0.65 0.55 0.00 -0.34 0.00 0.00 42.92 43.94 3kkw s ASP 22 CO 0.80 -1.20 1.91 0.03 0.68 0.00 0.00 175.17 177.39 3kkw h ARG 23 N 2.00 0.98 0.23 2.11 3.08 -1.99 -1.52 114.38 119.26 3kkw h ARG 23 Ca -0.21 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 3kkw h ARG 23 Cb 1.24 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3kkw h ARG 23 CO 0.25 0.65 -0.11 -0.44 -1.07 0.00 0.00 179.97 179.24 3kkw h ASP 24 N 1.00 -0.26 -0.85 7.04 3.32 -1.99 -1.09 116.42 123.60 3kkw h ASP 24 Ca 0.39 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.52 3kkw h ASP 24 Cb 0.22 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 3kkw h ASP 24 CO -0.15 -0.17 0.50 -0.33 -1.72 0.00 0.00 179.24 177.38 3kkw h GLU 25 N -0.32 0.82 -0.55 3.56 5.08 -1.84 -0.67 114.58 120.66 3kkw h GLU 25 Ca -0.03 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3kkw h GLU 25 Cb 0.25 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3kkw h GLU 25 CO 0.05 0.54 0.06 1.25 -1.00 0.00 0.00 179.01 179.92 3kkw h LEU 26 N 0.85 0.90 -0.81 1.33 5.85 -1.16 -2.80 115.31 119.48 3kkw h LEU 26 Ca 0.40 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3kkw h LEU 26 Cb 0.34 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3kkw h LEU 26 CO -0.24 0.95 0.38 0.15 -0.34 0.00 0.00 178.44 179.35 3kkw h PHE 27 N 0.82 1.17 -0.59 1.25 3.57 -0.60 0.77 116.94 123.32 3kkw h PHE 27 Ca 0.17 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3kkw h PHE 27 Cb 0.45 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3kkw h PHE 27 CO 0.03 0.85 0.24 1.88 -2.23 0.00 0.00 178.31 179.09 3kkw h TYR 28 N 1.15 0.86 0.00 0.41 0.05 -0.95 -2.83 116.97 115.66 3kkw h TYR 28 Ca 0.28 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3kkw h TYR 28 Cb 0.13 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.60 3kkw h TYR 28 CO 0.01 0.66 -1.58 0.00 -1.05 0.00 0.00 178.16 176.20 3kkw n TYR 30 N -1.94 -3.46 0.31 0.00 4.19 0.24 -2.67 117.16 113.83 3kkw n TYR 30 Ca -0.01 -1.64 0.20 0.00 3.31 0.00 0.00 57.90 59.76 3kkw n TYR 30 Cb 0.47 1.42 1.00 0.00 0.49 0.00 0.00 39.34 42.72 3kkw n TYR 30 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 3kkw h PRO 31 N 4.61 0.00 -0.00 2.98 0.13 -1.66 -1.51 132.00 136.55 3kkw h PRO 31 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3kkw h PRO 31 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3kkw h PRO 31 CO 0.16 0.01 -0.31 1.63 -0.23 0.00 0.00 178.00 179.26 3kkw n LYS 32 N -3.15 0.46 -1.70 0.86 5.02 -1.26 -4.91 118.16 113.48 3kkw n LYS 32 Ca -0.02 -0.24 -0.32 0.00 -2.02 0.00 0.00 58.31 55.71 3kkw n LYS 32 Cb 0.16 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 3kkw n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kkw s ALA 33 N -2.71 2.49 -0.05 7.82 0.00 -0.57 -5.05 121.76 123.70 3kkw s ALA 33 Ca 0.20 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.62 3kkw s ALA 33 Cb 0.19 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3kkw s ALA 33 CO 0.58 -1.28 -0.14 0.42 0.00 0.00 0.00 175.76 175.34 3kkw s ILE 34 N -2.52 3.05 0.12 0.00 1.01 -1.26 -4.95 121.20 116.66 3kkw s ILE 34 Ca 0.65 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 3kkw s ILE 34 Cb -0.19 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 3kkw s ILE 34 CO 0.44 0.59 0.84 0.86 0.00 0.00 0.00 174.94 177.67 3kkw s TRP 35 N -0.69 3.83 0.40 3.97 -0.11 -1.26 -3.46 118.94 121.62 3kkw s TRP 35 Ca 0.11 1.66 -0.23 0.00 1.22 0.00 0.00 56.10 58.85 3kkw s TRP 35 Cb -0.11 -2.89 -0.10 0.00 -1.50 0.00 0.00 33.47 28.88 3kkw s TRP 35 CO 0.01 0.34 0.98 -1.25 -4.62 0.00 0.00 176.95 172.41 3kkw s PRO 36 N -0.47 4.28 0.79 5.86 0.04 -1.26 -5.15 135.00 139.08 3kkw s PRO 36 Ca 0.40 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 3kkw s PRO 36 Cb -0.23 -2.42 0.07 0.00 0.04 0.00 0.00 34.50 31.97 3kkw s PRO 36 CO 0.27 -0.00 1.12 0.12 0.04 0.00 0.00 177.00 178.55 3kkw s PHE 37 N -1.90 2.25 0.13 0.56 5.36 -1.22 -5.06 117.98 118.10 3kkw s PHE 37 Ca 0.58 1.63 -0.16 0.00 -0.96 0.00 0.00 56.93 58.03 3kkw s PHE 37 Cb -0.15 -3.20 0.03 0.00 -0.34 0.00 0.00 43.02 39.36 3kkw s PHE 37 CO 0.19 -2.16 0.40 -1.54 -1.46 0.00 0.00 175.22 170.65 3kkw s SER 38 N -2.91 -0.21 0.27 6.13 1.04 -1.26 -5.04 113.70 111.72 3kkw s SER 38 Ca 0.65 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.66 3kkw s SER 38 Cb -0.21 0.48 0.34 0.00 0.10 0.00 0.00 66.02 66.73 3kkw s SER 38 CO 0.53 -0.87 1.91 0.58 0.98 0.00 0.00 173.24 176.38 3kkw h VAL 39 N 2.37 1.24 -0.81 5.02 2.07 -1.93 -1.92 116.25 122.29 3kkw h VAL 39 Ca -0.33 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3kkw h VAL 39 Cb 1.25 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3kkw h VAL 39 CO 0.46 0.25 0.38 0.00 0.02 0.00 0.00 177.57 178.69 3kkw h ALA 40 N 1.39 1.16 -0.58 1.67 0.00 -1.98 0.56 119.26 121.49 3kkw h ALA 40 Ca 0.31 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3kkw h ALA 40 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3kkw h ALA 40 CO -0.06 0.64 -0.07 1.96 0.00 0.00 0.00 179.25 181.72 3kkw h GLN 41 N 1.15 1.06 -0.15 0.00 4.20 -1.85 -1.40 115.11 118.12 3kkw h GLN 41 Ca 0.28 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 3kkw h GLN 41 Cb 0.12 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3kkw h GLN 41 CO -0.03 1.07 0.08 1.25 -0.67 0.00 0.00 178.83 180.53 3kkw h LEU 42 N 0.95 0.18 -1.37 1.46 5.85 -0.93 -2.33 115.31 119.13 3kkw h LEU 42 Ca 0.15 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3kkw h LEU 42 Cb 0.64 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3kkw h LEU 42 CO 0.04 0.21 0.30 0.00 -0.34 0.00 0.00 178.44 178.65 3kkw h ALA 43 N 0.98 1.52 -0.67 1.25 0.00 -0.81 -1.36 119.26 120.17 3kkw h ALA 43 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kkw h ALA 43 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kkw h ALA 43 CO -0.01 0.40 0.20 0.00 0.00 0.00 0.00 179.25 179.85 3kkw h ALA 44 N 1.59 0.87 -0.07 0.00 0.00 -1.04 -1.01 119.26 119.60 3kkw h ALA 44 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kkw h ALA 44 Cb 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kkw h ALA 44 CO -0.03 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.80 3kkw h ALA 45 N 1.09 0.09 -0.71 0.00 0.00 -0.84 -2.64 119.26 116.24 3kkw h ALA 45 Ca 0.21 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3kkw h ALA 45 Cb 0.30 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3kkw h ALA 45 CO -0.01 -0.34 0.34 0.82 0.00 0.00 0.00 179.25 180.06 3kkw h ILE 46 N -0.02 0.81 -0.34 0.00 2.04 -1.03 -1.73 117.51 117.24 3kkw h ILE 46 Ca 0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3kkw h ILE 46 Cb 0.14 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3kkw h ILE 46 CO -0.00 0.10 0.13 0.00 0.00 0.00 0.00 178.15 178.38 3kkw h ALA 47 N 1.45 1.60 -0.00 1.87 0.00 -1.00 -2.41 119.26 120.76 3kkw h ALA 47 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kkw h ALA 47 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kkw h ALA 47 CO -0.30 0.32 -0.40 0.39 0.00 0.00 0.00 179.25 179.26 3kkw n GLU 48 N -4.40 0.36 -2.73 0.00 1.02 -0.83 -4.95 120.64 109.11 3kkw n GLU 48 Ca 0.02 -0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 56.84 3kkw n GLU 48 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 3kkw n GLU 48 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kkw n ARG 49 N -1.13 1.53 -4.16 3.49 1.74 -0.71 -5.03 116.66 112.39 3kkw n ARG 49 Ca 0.08 -1.17 -0.15 0.00 -0.77 0.00 0.00 57.85 55.84 3kkw n ARG 49 Cb 0.34 0.28 -0.11 0.00 -1.02 0.00 0.00 32.46 31.95 3kkw n ARG 49 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kkw s ARG 50 N -2.62 0.81 -0.63 5.56 1.81 -1.00 -4.92 118.95 117.97 3kkw s ARG 50 Ca 0.02 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 3kkw s ARG 50 Cb -0.00 -0.56 0.00 0.00 -0.45 0.00 0.00 34.95 33.94 3kkw s ARG 50 CO 0.01 0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 3kkw n GLY 51 N 0.77 0.33 3.66 -3.53 0.00 -1.26 -0.48 105.19 104.68 3kkw n GLY 51 Ca -0.18 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 3kkw n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kkw s SER 52 N -2.76 6.60 0.00 1.61 0.01 -1.26 -4.43 113.70 113.48 3kkw s SER 52 Ca 0.00 2.38 0.02 0.00 1.31 0.00 0.00 55.95 59.66 3kkw s SER 52 Cb 0.00 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 3kkw s SER 52 CO 0.00 -0.96 -0.07 -0.89 0.41 0.00 0.00 173.24 171.73 3kkw s THR 53 N 4.08 0.54 0.09 1.44 2.01 -0.40 -1.35 115.64 122.05 3kkw s THR 53 Ca 0.78 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.40 3kkw s THR 53 Cb -0.36 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 3kkw s THR 53 CO 0.33 0.05 -0.06 0.68 -0.69 0.00 0.00 174.62 174.94 3kkw s VAL 54 N -0.38 3.67 -0.13 3.82 -7.23 -0.30 -1.95 120.40 117.90 3kkw s VAL 54 Ca 0.00 -1.10 -0.05 0.00 -1.81 0.00 0.00 61.98 59.03 3kkw s VAL 54 Cb -0.04 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 3kkw s VAL 54 CO -0.00 0.15 0.04 0.00 -0.31 0.00 0.00 175.10 174.98 3kkw s ALA 55 N -1.23 3.40 -0.05 1.32 0.00 -0.39 -2.11 121.76 122.70 3kkw s ALA 55 Ca 0.23 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.47 3kkw s ALA 55 Cb -0.11 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 3kkw s ALA 55 CO 0.15 0.42 -0.20 0.08 0.00 0.00 0.00 175.76 176.22 3kkw s VAL 56 N -0.38 1.64 -0.01 0.00 1.01 0.34 -0.67 120.40 122.34 3kkw s VAL 56 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3kkw s VAL 56 Cb -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3kkw s VAL 56 CO 0.02 0.47 0.01 -2.28 0.00 0.00 0.00 175.10 173.31 3kkw s HIS 57 N 0.07 0.01 -1.54 5.22 2.46 -0.37 -1.02 115.29 120.12 3kkw s HIS 57 Ca -0.06 0.04 -0.10 0.00 0.47 0.00 0.00 55.06 55.41 3kkw s HIS 57 Cb -0.13 -0.07 0.08 0.00 -0.13 0.00 0.00 32.58 32.33 3kkw s HIS 57 CO 0.03 -0.02 0.68 -3.47 -2.47 0.00 0.00 174.74 169.49 3kkw n ASP 58 N 3.38 -2.33 -1.54 9.88 2.03 -1.26 -1.16 116.55 125.56 3kkw n ASP 58 Ca -0.16 -0.96 -0.15 0.00 0.52 0.00 0.00 54.79 54.04 3kkw n ASP 58 Cb 0.57 -3.15 -0.02 0.00 -0.72 0.00 0.00 41.12 37.80 3kkw n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kkw n GLY 59 N -1.69 0.19 3.00 0.27 0.00 -1.26 -5.02 105.19 100.68 3kkw n GLY 59 Ca -0.10 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 3kkw n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kkw s GLN 60 N -4.37 0.87 -0.29 1.61 -0.21 -0.31 -5.11 119.66 111.86 3kkw s GLN 60 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.36 54.80 3kkw s GLN 60 Cb 0.00 -0.83 -0.00 0.00 1.00 0.00 0.00 33.01 33.18 3kkw s GLN 60 CO 0.00 0.12 1.37 0.08 -2.12 0.00 0.00 175.29 174.74 3kkw s VAL 61 N 0.12 4.04 -0.14 1.09 1.01 -1.26 -1.24 120.40 124.02 3kkw s VAL 61 Ca -0.02 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.21 3kkw s VAL 61 Cb -0.07 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 3kkw s VAL 61 CO 0.00 -0.46 0.23 0.18 0.00 0.00 0.00 175.10 175.05 3kkw n LEU 62 N 7.85 0.14 -3.75 3.92 4.77 0.15 -4.84 117.00 125.24 3kkw n LEU 62 Ca 0.16 -0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 3kkw n LEU 62 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3kkw n LEU 62 CO 0.64 0.03 0.03 -0.83 -1.33 0.00 0.00 177.39 175.93 3kkw s GLY 63 N -2.44 -0.11 -0.06 -0.72 0.00 -1.13 -0.84 107.32 102.02 3kkw s GLY 63 Ca -0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.50 3kkw s GLY 63 CO 0.32 -0.33 0.26 -0.12 0.00 0.00 0.00 173.10 173.23 3kkw s PHE 64 N -3.01 -0.21 0.18 1.90 5.36 -0.23 -1.26 117.98 120.72 3kkw s PHE 64 Ca -0.02 0.45 -0.20 0.00 -0.96 0.00 0.00 56.93 56.20 3kkw s PHE 64 Cb 0.01 0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.81 3kkw s PHE 64 CO -0.06 -0.23 0.57 0.00 -1.46 0.00 0.00 175.22 174.03 3kkw s ALA 65 N -0.51 -1.28 0.28 11.12 0.00 -0.82 -1.45 121.76 129.10 3kkw s ALA 65 Ca -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3kkw s ALA 65 Cb -0.04 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.95 3kkw s ALA 65 CO 0.02 -0.80 0.46 0.27 0.00 0.00 0.00 175.76 175.71 3kkw n ASN 66 N -0.36 -1.29 -4.61 0.00 0.23 -0.66 -1.27 115.26 107.29 3kkw n ASN 66 Ca -0.13 -2.39 -0.34 0.00 -0.53 0.00 0.00 54.58 51.18 3kkw n ASN 66 Cb 0.63 2.30 -0.10 0.00 -2.08 0.00 0.00 39.78 40.53 3kkw n ASN 66 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3kkw s PHE 67 N -3.52 3.18 -0.78 -2.53 0.08 0.36 -0.18 117.98 114.59 3kkw s PHE 67 Ca 0.19 0.01 0.20 0.00 0.12 0.00 0.00 56.93 57.45 3kkw s PHE 67 Cb -0.02 -1.97 -0.24 0.00 -0.57 0.00 0.00 43.02 40.23 3kkw s PHE 67 CO 0.14 0.19 0.78 2.48 -0.10 0.00 0.00 175.22 178.71 3kkw n TYR 68 N 3.15 0.00 -4.04 0.36 0.18 -0.41 -2.37 117.16 114.04 3kkw n TYR 68 Ca -0.17 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.48 3kkw n TYR 68 Cb 0.53 -0.09 -0.12 0.00 -0.38 0.00 0.00 39.34 39.28 3kkw n TYR 68 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3kkw s GLN 69 N -2.99 0.39 -0.19 -3.48 -0.21 -1.22 -4.99 119.66 106.97 3kkw s GLN 69 Ca 0.05 -0.54 -0.11 0.00 0.02 0.00 0.00 55.36 54.78 3kkw s GLN 69 Cb 0.15 -0.17 0.06 0.00 1.00 0.00 0.00 33.01 34.04 3kkw s GLN 69 CO 0.83 0.03 0.46 1.67 -2.12 0.00 0.00 175.29 176.15 3kkw s TRP 70 N -1.03 -0.66 -0.22 0.91 -2.14 -1.26 -0.83 118.94 113.71 3kkw s TRP 70 Ca -0.08 1.40 -0.04 0.00 2.66 0.00 0.00 56.10 60.04 3kkw s TRP 70 Cb -0.08 0.31 0.09 0.00 -3.10 0.00 0.00 33.47 30.69 3kkw s TRP 70 CO -0.00 -0.36 0.18 -0.65 -2.66 0.00 0.00 176.95 173.46 3kkw s GLN 71 N 1.31 0.17 0.23 3.25 -1.52 -0.10 -5.00 119.66 118.00 3kkw s GLN 71 Ca -0.09 -0.01 -0.32 0.00 -1.95 0.00 0.00 55.36 53.00 3kkw s GLN 71 Cb -0.07 -1.31 -0.13 0.00 -0.22 0.00 0.00 33.01 31.28 3kkw s GLN 71 CO -0.12 -0.75 1.58 1.58 -0.25 0.00 0.00 175.29 177.33 3kkw n HIS 72 N 5.30 2.56 -0.98 0.91 -0.00 -1.26 -0.99 115.22 120.76 3kkw n HIS 72 Ca -0.06 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.37 3kkw n HIS 72 Cb 0.48 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.77 3kkw n HIS 72 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kkw n GLY 73 N 2.87 0.93 0.02 1.57 0.00 0.62 -4.84 105.19 106.36 3kkw n GLY 73 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kkw n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kkw n ASP 74 N 0.00 0.00 -3.71 1.61 -0.08 -0.16 -4.51 116.55 109.70 3kkw n ASP 74 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 3kkw n ASP 74 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 3kkw n ASP 74 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3kkw s PHE 75 N -0.01 -0.12 0.15 -0.67 -0.12 -0.91 -1.02 117.98 115.28 3kkw s PHE 75 Ca 0.00 -0.22 0.08 0.00 -0.05 0.00 0.00 56.93 56.74 3kkw s PHE 75 Cb 0.00 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3kkw s PHE 75 CO 0.00 -0.84 -0.17 0.00 -0.05 0.00 0.00 175.22 174.16 3kkw s ALA 77 N -2.01 2.35 0.13 0.00 0.00 -0.01 -0.73 121.76 121.48 3kkw s ALA 77 Ca 0.13 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 3kkw s ALA 77 Cb -0.06 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 3kkw s ALA 77 CO 0.05 -0.06 1.00 -1.17 0.00 0.00 0.00 175.76 175.59 3kkw s LEU 78 N 0.86 4.50 0.26 0.00 2.96 -0.56 -1.29 118.68 125.41 3kkw s LEU 78 Ca -0.05 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 55.76 3kkw s LEU 78 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3kkw s LEU 78 CO -0.02 -0.11 0.16 -0.83 -1.32 0.00 0.00 176.35 174.23 3kkw s GLY 79 N -0.04 1.84 -1.66 7.98 0.00 0.74 -4.67 107.32 111.50 3kkw s GLY 79 Ca 0.48 -1.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.22 3kkw s GLY 79 CO 0.31 -1.49 0.86 0.70 0.00 0.00 0.00 173.10 173.48 3kkw n ASN 80 N -0.74 -3.83 -4.61 1.64 5.03 -1.09 -1.66 115.26 110.00 3kkw n ASN 80 Ca 0.02 -0.94 -0.43 0.00 0.87 0.00 0.00 54.58 54.11 3kkw n ASN 80 Cb 0.65 -3.11 -0.02 0.00 -1.02 0.00 0.00 39.78 36.28 3kkw n ASN 80 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3kkw s MET 81 N -6.84 3.75 -0.01 3.52 1.75 -1.26 -3.96 119.30 116.25 3kkw s MET 81 Ca 0.73 0.96 0.02 0.00 -1.25 0.00 0.00 55.69 56.15 3kkw s MET 81 Cb -0.39 -3.93 -0.00 0.00 2.84 0.00 0.00 34.83 33.35 3kkw s MET 81 CO 0.90 -1.33 -0.07 -1.64 -0.65 0.00 0.00 175.02 172.23 3kkw s MET 82 N 4.49 0.59 -0.01 4.11 -1.94 -0.53 -4.78 119.30 121.22 3kkw s MET 82 Ca 0.55 -0.24 0.04 0.00 -1.71 0.00 0.00 55.69 54.33 3kkw s MET 82 Cb -0.13 -0.57 -0.01 0.00 2.01 0.00 0.00 34.83 36.13 3kkw s MET 82 CO 0.28 0.13 -0.12 0.08 -0.01 0.00 0.00 175.02 175.38 3kkw s VAL 83 N -0.09 0.96 0.38 -6.03 1.01 -1.26 -1.06 120.40 114.31 3kkw s VAL 83 Ca 0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 3kkw s VAL 83 Cb -0.04 -0.81 -0.11 0.00 0.00 0.00 0.00 36.38 35.42 3kkw s VAL 83 CO -0.00 0.28 1.39 0.00 0.00 0.00 0.00 175.10 176.77 3kkw n ALA 84 N 2.86 1.87 0.29 5.51 0.00 -0.02 -4.83 120.51 126.19 3kkw n ALA 84 Ca -0.15 0.33 0.17 0.00 0.00 0.00 0.00 53.44 53.79 3kkw n ALA 84 Cb 0.55 -2.35 0.83 0.00 0.00 0.00 0.00 19.45 18.49 3kkw n ALA 84 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3kkw h PRO 85 N 2.64 0.00 -0.00 0.00 0.13 -1.91 -0.86 132.00 132.01 3kkw h PRO 85 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kkw h PRO 85 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3kkw h PRO 85 CO 0.63 0.04 -0.09 0.00 -0.23 0.00 0.00 178.00 178.35 3kkw n ALA 86 N -2.14 2.56 -1.53 -0.56 0.00 -1.26 -3.92 120.51 113.66 3kkw n ALA 86 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.35 3kkw n ALA 86 Cb 0.23 -1.41 0.18 0.00 0.00 0.00 0.00 19.45 18.46 3kkw n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kkw n ALA 87 N -1.46 3.29 -1.76 0.00 0.00 -0.33 -5.05 120.51 115.19 3kkw n ALA 87 Ca 0.08 -3.10 -0.40 0.00 0.00 0.00 0.00 53.44 50.02 3kkw n ALA 87 Cb 0.33 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 3kkw n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kkw s ARG 88 N -2.99 4.65 -0.01 0.00 1.81 -1.18 -3.72 118.95 117.51 3kkw s ARG 88 Ca 0.36 1.78 0.00 0.00 -1.72 0.00 0.00 55.73 56.16 3kkw s ARG 88 Cb 0.35 -3.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.65 3kkw s ARG 88 CO -0.05 0.23 0.00 0.41 -0.68 0.00 0.00 175.30 175.21 3kkw n GLY 89 N 1.22 0.43 1.08 -3.53 0.00 -1.26 -4.91 105.19 98.22 3kkw n GLY 89 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.06 3kkw n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kkw n LEU 90 N -0.02 3.64 0.00 0.99 4.77 -1.24 -4.95 117.00 120.19 3kkw n LEU 90 Ca -0.00 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 3kkw n LEU 90 Cb 0.08 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3kkw n LEU 90 CO 0.00 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3kkw n GLY 91 N 1.06 0.81 0.13 -0.72 0.00 -1.26 -5.00 105.19 100.22 3kkw n GLY 91 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3kkw n GLY 91 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kkw h VAL 92 N 0.00 1.36 -0.53 1.61 2.07 -1.93 -0.91 116.25 117.92 3kkw h VAL 92 Ca 0.00 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 3kkw h VAL 92 Cb 0.00 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3kkw h VAL 92 CO 0.00 0.40 0.01 0.00 0.02 0.00 0.00 177.57 177.99 3kkw h ALA 93 N 0.59 0.71 -0.59 1.67 0.00 -1.94 -1.22 119.26 118.48 3kkw h ALA 93 Ca 0.02 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3kkw h ALA 93 Cb 0.71 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3kkw h ALA 93 CO 0.04 0.52 0.34 -0.09 0.00 0.00 0.00 179.25 180.06 3kkw h ARG 94 N 0.80 0.64 0.05 0.00 2.43 -1.96 0.17 114.38 116.51 3kkw h ARG 94 Ca 0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kkw h ARG 94 Cb 0.52 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3kkw h ARG 94 CO 0.03 0.42 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.96 3kkw h TYR 95 N 0.66 -0.07 -0.25 2.20 3.20 -0.97 -2.35 116.97 119.39 3kkw h TYR 95 Ca 0.25 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 3kkw h TYR 95 Cb 0.08 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3kkw h TYR 95 CO -0.07 -0.00 -0.38 1.25 -1.64 0.00 0.00 178.16 177.32 3kkw h LEU 96 N -0.11 0.60 -0.77 2.82 5.85 -0.83 -1.68 115.31 121.19 3kkw h LEU 96 Ca -0.01 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3kkw h LEU 96 Cb 0.09 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3kkw h LEU 96 CO 0.01 0.92 0.49 0.40 -0.34 0.00 0.00 178.44 179.92 3kkw h ILE 97 N 0.48 1.11 -0.84 4.05 2.04 -0.61 -0.13 117.51 123.61 3kkw h ILE 97 Ca 0.05 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3kkw h ILE 97 Cb 0.87 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3kkw h ILE 97 CO 0.07 0.17 0.42 1.23 0.00 0.00 0.00 178.15 180.05 3kkw h GLY 98 N 0.95 1.28 1.01 5.37 0.00 -0.86 0.16 103.07 110.98 3kkw h GLY 98 Ca 0.31 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3kkw h GLY 98 CO -0.11 0.59 0.35 -2.08 0.00 0.00 0.00 176.54 175.29 3kkw h VAL 99 N 1.19 1.23 -0.22 4.60 2.07 -0.72 -1.79 116.25 122.60 3kkw h VAL 99 Ca 0.29 -0.63 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 3kkw h VAL 99 Cb 0.09 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3kkw h VAL 99 CO -0.04 0.26 -0.41 0.24 0.02 0.00 0.00 177.57 177.65 3kkw h MET 100 N 0.97 0.52 -0.30 1.57 2.07 -0.40 -0.62 114.93 118.74 3kkw h MET 100 Ca 0.24 -0.26 -0.00 0.00 -2.07 0.00 0.00 59.70 57.61 3kkw h MET 100 Cb 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 3kkw h MET 100 CO -0.03 0.83 0.18 0.93 1.07 0.00 0.00 176.91 179.89 3kkw h GLU 101 N 0.43 0.40 -0.84 1.72 5.08 -0.52 0.44 114.58 121.28 3kkw h GLU 101 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kkw h GLU 101 Cb 0.89 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 3kkw h GLU 101 CO 0.08 0.30 0.53 -0.91 -1.00 0.00 0.00 179.01 178.01 3kkw h ASN 102 N 0.38 0.98 -0.53 1.42 2.35 -0.97 -1.36 115.58 117.84 3kkw h ASN 102 Ca 0.11 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3kkw h ASN 102 Cb -0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3kkw h ASN 102 CO -0.02 0.73 0.27 0.25 -1.65 0.00 0.00 177.43 177.00 3kkw h LEU 103 N 1.14 0.69 -0.51 1.61 5.85 -0.75 0.27 115.31 123.61 3kkw h LEU 103 Ca 0.30 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kkw h LEU 103 Cb -0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3kkw h LEU 103 CO -0.06 0.62 0.33 0.00 -0.34 0.00 0.00 178.44 178.98 3kkw h ALA 104 N 1.10 0.65 -0.21 1.25 0.00 -0.70 0.65 119.26 122.00 3kkw h ALA 104 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kkw h ALA 104 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kkw h ALA 104 CO -0.02 0.06 0.11 0.00 0.00 0.00 0.00 179.25 179.39 3kkw h ARG 105 N 0.66 0.30 0.04 0.00 3.08 -1.00 -1.49 114.38 115.98 3kkw h ARG 105 Ca 0.19 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 3kkw h ARG 105 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3kkw h ARG 105 CO -0.06 0.30 -0.69 0.93 -1.07 0.00 0.00 179.97 179.38 3kkw h GLU 106 N 0.22 0.09 0.16 0.04 5.08 -0.73 -2.68 114.58 116.76 3kkw h GLU 106 Ca 0.07 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 3kkw h GLU 106 Cb 0.10 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.43 3kkw h GLU 106 CO -0.01 1.07 -0.95 0.37 -1.00 0.00 0.00 179.01 178.49 3kkw h GLN 107 N -0.78 0.34 -0.01 2.33 4.15 -1.02 -3.38 115.11 116.75 3kkw h GLN 107 Ca -0.16 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.67 3kkw h GLN 107 Cb 1.31 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.22 3kkw h GLN 107 CO -0.02 1.28 -0.35 0.66 -1.93 0.00 0.00 178.83 178.47 3kkw n TYR 108 N -4.05 0.00 -3.56 3.99 4.01 -0.83 -4.96 117.16 111.76 3kkw n TYR 108 Ca -0.15 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.33 3kkw n TYR 108 Cb 0.88 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.93 3kkw n TYR 108 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3kkw n LYS 109 N 0.05 -4.92 -2.34 -0.72 4.76 -0.80 -0.27 118.16 113.92 3kkw n LYS 109 Ca 0.08 0.64 -0.38 0.00 -2.87 0.00 0.00 58.31 55.77 3kkw n LYS 109 Cb 0.40 -5.48 -0.03 0.00 -1.84 0.00 0.00 35.03 28.09 3kkw n LYS 109 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kkw s ALA 110 N -3.17 3.20 -0.68 7.82 0.00 -0.63 -3.59 121.76 124.71 3kkw s ALA 110 Ca 0.52 0.94 0.22 0.00 0.00 0.00 0.00 51.96 53.64 3kkw s ALA 110 Cb -0.26 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 3kkw s ALA 110 CO 0.64 -0.45 0.93 0.54 0.00 0.00 0.00 175.76 177.42 3kkw n ARG 111 N 0.26 0.23 -3.82 0.00 3.00 -0.19 -4.47 116.66 111.67 3kkw n ARG 111 Ca 0.03 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.85 57.72 3kkw n ARG 111 Cb 0.46 -1.54 -0.12 0.00 0.00 0.00 0.00 32.46 31.26 3kkw n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3kkw s LEU 112 N -3.64 1.40 -0.15 0.55 2.96 -1.08 -0.93 118.68 117.78 3kkw s LEU 112 Ca 0.04 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 3kkw s LEU 112 Cb 0.15 0.56 -0.03 0.00 0.50 0.00 0.00 46.19 47.38 3kkw s LEU 112 CO 0.83 -0.08 -0.05 -0.32 -1.32 0.00 0.00 176.35 175.42 3kkw s MET 113 N -0.00 3.63 -0.14 1.98 -2.45 -0.61 -2.22 119.30 119.48 3kkw s MET 113 Ca -0.01 -0.55 -0.09 0.00 -1.25 0.00 0.00 55.69 53.80 3kkw s MET 113 Cb -0.02 -2.87 -0.04 0.00 1.25 0.00 0.00 34.83 33.15 3kkw s MET 113 CO 0.00 0.24 0.17 0.15 1.05 0.00 0.00 175.02 176.63 3kkw s LYS 114 N 0.35 3.74 -0.02 4.11 1.02 0.09 -1.49 119.74 127.54 3kkw s LYS 114 Ca -0.05 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 55.85 3kkw s LYS 114 Cb -0.14 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3kkw s LYS 114 CO 0.03 0.60 -0.05 0.42 -0.92 0.00 0.00 175.35 175.44 3kkw s ILE 115 N -0.54 0.47 -0.08 2.17 1.01 -0.58 -1.50 121.20 122.16 3kkw s ILE 115 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.67 3kkw s ILE 115 Cb -0.12 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 3kkw s ILE 115 CO 0.03 0.18 -0.20 -0.44 0.00 0.00 0.00 174.94 174.51 3kkw s SER 116 N 0.45 3.48 -0.03 3.58 0.01 -1.26 -0.67 113.70 119.26 3kkw s SER 116 Ca -0.06 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.82 3kkw s SER 116 Cb -0.09 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 65.06 3kkw s SER 116 CO -0.00 0.24 -0.09 0.00 0.41 0.00 0.00 173.24 173.79 3kkw s PHE 118 N 0.30 2.94 0.44 0.00 0.08 -1.26 -0.60 117.98 119.88 3kkw s PHE 118 Ca -0.05 1.54 0.13 0.00 0.12 0.00 0.00 56.93 58.67 3kkw s PHE 118 Cb -0.10 -3.40 1.04 0.00 -0.57 0.00 0.00 43.02 39.99 3kkw s PHE 118 CO 0.01 -1.46 2.01 -2.95 -0.10 0.00 0.00 175.22 172.73 3kkw h ASN 119 N 2.28 0.34 1.16 1.36 -1.07 -1.30 -1.81 115.58 116.54 3kkw h ASN 119 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 3kkw h ASN 119 Cb 1.24 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 3kkw h ASN 119 CO 0.61 0.21 0.00 0.00 0.07 0.00 0.00 177.43 178.32 3kkw h ALA 120 N 1.73 1.00 -1.18 4.14 0.00 -1.91 -3.37 119.26 119.66 3kkw h ALA 120 Ca 0.23 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.40 3kkw h ALA 120 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.06 3kkw h ALA 120 CO -0.06 0.00 1.82 -1.71 0.00 0.00 0.00 179.25 179.30 3kkw n ASN 121 N -2.71 5.06 -0.35 0.00 5.15 -0.68 -4.79 115.26 116.94 3kkw n ASN 121 Ca 0.02 -3.02 0.02 0.00 -0.60 0.00 0.00 54.58 51.00 3kkw n ASN 121 Cb 0.34 -1.55 0.19 0.00 -0.53 0.00 0.00 39.78 38.23 3kkw n ASN 121 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kkw h ALA 122 N 6.49 1.42 -0.83 5.20 0.00 -1.84 -1.63 119.26 128.08 3kkw h ALA 122 Ca 0.38 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3kkw h ALA 122 Cb 0.75 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3kkw h ALA 122 CO 1.47 0.45 0.55 0.00 0.00 0.00 0.00 179.25 181.72 3kkw h ALA 123 N 1.46 1.06 -0.17 0.00 0.00 -1.97 -0.69 119.26 118.95 3kkw h ALA 123 Ca 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3kkw h ALA 123 Cb 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kkw h ALA 123 CO -0.15 0.46 0.06 0.78 0.00 0.00 0.00 179.25 180.40 3kkw h GLY 124 N 1.13 0.28 1.01 0.00 0.00 -1.85 -0.62 103.07 103.02 3kkw h GLY 124 Ca 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.48 3kkw h GLY 124 CO -0.07 0.16 0.50 1.41 0.00 0.00 0.00 176.54 178.54 3kkw h LEU 125 N 0.10 0.87 -0.46 3.11 3.38 -0.80 -0.21 115.31 121.31 3kkw h LEU 125 Ca 0.06 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3kkw h LEU 125 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kkw h LEU 125 CO -0.00 0.63 -0.14 -0.07 0.09 0.00 0.00 178.44 178.95 3kkw h LEU 126 N 1.03 0.92 0.01 1.67 3.38 -1.08 -2.02 115.31 119.22 3kkw h LEU 126 Ca 0.28 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kkw h LEU 126 Cb -0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.38 3kkw h LEU 126 CO -0.06 1.08 -0.00 0.25 0.09 0.00 0.00 178.44 179.80 3kkw h LEU 127 N 0.74 -0.01 -1.05 1.67 5.85 -0.66 -0.37 115.31 121.47 3kkw h LEU 127 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kkw h LEU 127 Cb 0.70 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3kkw h LEU 127 CO 0.05 0.01 0.48 1.88 -0.34 0.00 0.00 178.44 180.53 3kkw h TYR 128 N -0.03 1.11 -0.50 1.25 0.05 -1.04 -1.22 116.97 116.59 3kkw h TYR 128 Ca -0.00 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.78 3kkw h TYR 128 Cb 0.02 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.38 3kkw h TYR 128 CO -0.07 0.75 0.32 1.15 -1.05 0.00 0.00 178.16 179.25 3kkw h THR 129 N 1.15 1.10 -0.39 -2.88 2.02 -1.11 -1.19 112.91 111.61 3kkw h THR 129 Ca 0.30 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3kkw h THR 129 Cb -0.02 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3kkw h THR 129 CO -0.05 0.12 0.26 1.56 0.37 0.00 0.00 175.52 177.77 3kkw h GLN 130 N 0.64 0.51 -0.04 6.66 4.20 -0.24 -1.36 115.11 125.49 3kkw h GLN 130 Ca 0.19 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3kkw h GLN 130 Cb -0.04 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3kkw h GLN 130 CO -0.06 0.34 0.00 1.28 -0.67 0.00 0.00 178.83 179.72 3kkw n LEU 131 N -4.47 0.64 0.00 1.46 4.77 -0.54 -4.90 117.00 113.95 3kkw n LEU 131 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3kkw n LEU 131 Cb 0.06 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3kkw n LEU 131 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3kkw n GLY 132 N 0.99 0.72 3.76 -0.72 0.00 -0.51 -5.07 105.19 104.36 3kkw n GLY 132 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3kkw n GLY 132 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kkw s TYR 133 N -2.06 3.52 0.05 1.61 2.02 -0.50 -4.71 117.35 117.28 3kkw s TYR 133 Ca 0.00 1.68 0.09 0.00 -0.37 0.00 0.00 57.07 58.47 3kkw s TYR 133 Cb 0.00 -3.29 -0.03 0.00 -0.40 0.00 0.00 41.96 38.24 3kkw s TYR 133 CO 0.00 -0.64 -0.26 -0.65 -1.57 0.00 0.00 175.55 172.43 3kkw s GLN 134 N -1.57 1.78 0.22 -0.62 -0.21 -0.36 -4.25 119.66 114.66 3kkw s GLN 134 Ca 0.46 -1.12 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 3kkw s GLN 134 Cb -0.32 -1.98 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 3kkw s GLN 134 CO 0.41 0.51 1.09 -1.25 -2.12 0.00 0.00 175.29 173.93 3kkw s PRO 135 N -1.28 4.63 -0.02 2.91 0.04 -1.26 -1.62 135.00 138.40 3kkw s PRO 135 Ca 0.12 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.91 3kkw s PRO 135 Cb -0.10 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 3kkw s PRO 135 CO 0.02 0.16 -0.01 0.54 0.04 0.00 0.00 177.00 177.76 3kkw n ARG 136 N 1.82 1.62 -3.82 4.56 5.12 0.40 -4.95 116.66 121.40 3kkw n ARG 136 Ca 0.01 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.85 3kkw n ARG 136 Cb 0.46 -1.04 -0.03 0.00 -1.16 0.00 0.00 32.46 30.69 3kkw n ARG 136 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kkw s ALA 137 N -2.04 -0.94 -0.06 7.54 0.00 -1.09 -5.02 121.76 120.16 3kkw s ALA 137 Ca -0.02 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.62 3kkw s ALA 137 Cb 0.01 0.90 0.01 0.00 0.00 0.00 0.00 23.12 24.04 3kkw s ALA 137 CO 0.05 -0.90 -0.12 0.42 0.00 0.00 0.00 175.76 175.20 3kkw s ILE 138 N -3.91 1.11 0.04 0.00 1.01 -1.26 -0.55 121.20 117.63 3kkw s ILE 138 Ca 0.12 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.38 3kkw s ILE 138 Cb -0.03 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3kkw s ILE 138 CO 0.03 0.34 -0.26 0.00 0.00 0.00 0.00 174.94 175.05 3kkw s ALA 139 N 0.51 2.24 -0.06 9.38 0.00 -0.22 -4.94 121.76 128.66 3kkw s ALA 139 Ca -0.11 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 3kkw s ALA 139 Cb -0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3kkw s ALA 139 CO 0.03 0.53 1.14 -2.00 0.00 0.00 0.00 175.76 175.46 3kkw s GLU 140 N -1.15 4.39 0.17 0.00 2.12 -1.26 -0.33 118.70 122.63 3kkw s GLU 140 Ca 0.11 1.60 0.05 0.00 0.36 0.00 0.00 54.97 57.09 3kkw s GLU 140 Cb -0.10 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 3kkw s GLU 140 CO 0.02 -0.38 -0.09 1.03 -0.54 0.00 0.00 175.26 175.30 3kkw s ARG 141 N 2.01 1.14 -0.15 4.30 1.81 -0.35 -4.94 118.95 122.78 3kkw s ARG 141 Ca 0.54 -1.51 -0.00 0.00 -1.72 0.00 0.00 55.73 53.04 3kkw s ARG 141 Cb -0.23 -0.70 -0.01 0.00 -0.45 0.00 0.00 34.95 33.57 3kkw s ARG 141 CO 0.22 0.06 -0.14 -1.01 -0.68 0.00 0.00 175.30 173.75 3kkw s HIS 142 N -3.29 2.80 0.85 -0.53 3.76 -1.26 -0.26 115.29 117.35 3kkw s HIS 142 Ca 0.19 -0.91 -0.11 0.00 -0.15 0.00 0.00 55.06 54.09 3kkw s HIS 142 Cb 0.03 -1.89 0.15 0.00 1.11 0.00 0.00 32.58 31.98 3kkw s HIS 142 CO 0.03 -0.40 1.18 0.16 -0.85 0.00 0.00 174.74 174.86 3kkw s ASP 143 N 0.71 3.83 0.47 1.40 1.47 0.05 -4.91 116.67 119.69 3kkw s ASP 143 Ca -0.06 0.21 0.32 0.00 1.18 0.00 0.00 52.55 54.20 3kkw s ASP 143 Cb -0.15 -0.48 1.53 0.00 -0.34 0.00 0.00 42.92 43.47 3kkw s ASP 143 CO 0.02 -2.26 1.97 -0.65 0.68 0.00 0.00 175.17 174.93 3kkw h PRO 144 N -1.15 0.00 -0.23 2.11 0.11 -1.92 0.47 132.00 131.39 3kkw h PRO 144 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kkw h PRO 144 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kkw h PRO 144 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 3kkw n ASP 145 N -2.74 1.96 -0.32 -2.05 8.00 -1.26 -4.92 116.55 115.22 3kkw n ASP 145 Ca -0.00 -1.79 -0.04 0.00 0.71 0.00 0.00 54.79 53.67 3kkw n ASP 145 Cb 0.18 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3kkw n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kkw n GLY 146 N 1.18 0.70 3.86 0.44 0.00 0.16 -5.03 105.19 106.50 3kkw n GLY 146 Ca 0.16 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 3kkw n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kkw s ARG 147 N -1.99 3.88 -0.16 1.61 0.52 -1.26 -4.78 118.95 116.77 3kkw s ARG 147 Ca 0.00 0.36 -0.26 0.00 -0.52 0.00 0.00 55.73 55.31 3kkw s ARG 147 Cb 0.00 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 3kkw s ARG 147 CO 0.00 0.40 0.89 1.03 0.02 0.00 0.00 175.30 177.63 3kkw s ARG 148 N -2.41 4.32 0.34 3.54 0.52 -1.26 -0.77 118.95 123.23 3kkw s ARG 148 Ca 0.43 1.13 0.09 0.00 -0.52 0.00 0.00 55.73 56.85 3kkw s ARG 148 Cb -0.13 -3.57 -0.07 0.00 0.52 0.00 0.00 34.95 31.70 3kkw s ARG 148 CO 0.20 -0.35 -0.08 0.14 0.02 0.00 0.00 175.30 175.23 3kkw s VAL 149 N 2.22 2.11 -0.23 3.52 -7.23 0.64 -4.98 120.40 116.46 3kkw s VAL 149 Ca 0.41 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 3kkw s VAL 149 Cb -0.17 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 3kkw s VAL 149 CO 0.13 -0.19 -0.01 0.00 -0.31 0.00 0.00 175.10 174.72 3kkw s ALA 150 N -2.69 2.92 -0.32 1.32 0.00 -1.26 -1.21 121.76 120.52 3kkw s ALA 150 Ca 0.32 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 3kkw s ALA 150 Cb 0.04 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 3kkw s ALA 150 CO 0.16 -0.43 0.41 -1.17 0.00 0.00 0.00 175.76 174.72 3kkw s LEU 151 N 1.49 4.30 -0.41 0.00 2.96 0.55 -0.69 118.68 126.88 3kkw s LEU 151 Ca 0.06 -0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.72 3kkw s LEU 151 Cb -0.14 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.13 3kkw s LEU 151 CO -0.01 -0.33 0.77 -0.63 -1.32 0.00 0.00 176.35 174.83 3kkw s ILE 152 N 2.13 4.70 -0.30 6.68 -1.09 0.23 -1.06 121.20 132.50 3kkw s ILE 152 Ca 0.15 0.60 -0.16 0.00 -2.23 0.00 0.00 60.65 59.01 3kkw s ILE 152 Cb -0.16 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.44 3kkw s ILE 152 CO 0.12 -0.57 0.43 -1.10 -1.23 0.00 0.00 174.94 172.58 3kkw s GLN 153 N 3.16 3.84 0.29 2.79 -0.21 0.29 -0.98 119.66 128.84 3kkw s GLN 153 Ca 0.30 -0.06 0.10 0.00 0.02 0.00 0.00 55.36 55.72 3kkw s GLN 153 Cb -0.13 -3.72 -0.05 0.00 1.00 0.00 0.00 33.01 30.11 3kkw s GLN 153 CO 0.20 -0.43 -0.15 -1.64 -2.12 0.00 0.00 175.29 171.15 3kkw s MET 154 N 2.18 1.67 0.24 2.91 -1.94 0.15 -0.46 119.30 124.06 3kkw s MET 154 Ca 0.16 -1.80 -0.14 0.00 -1.71 0.00 0.00 55.69 52.20 3kkw s MET 154 Cb -0.16 -1.63 0.00 0.00 2.01 0.00 0.00 34.83 35.06 3kkw s MET 154 CO 0.11 0.23 0.50 0.16 -0.01 0.00 0.00 175.02 176.01 3kkw s ASP 155 N -3.51 -0.12 -0.16 3.03 1.47 -0.64 -1.52 116.67 115.22 3kkw s ASP 155 Ca 0.30 -0.84 -0.12 0.00 1.18 0.00 0.00 52.55 53.08 3kkw s ASP 155 Cb -0.01 0.59 0.05 0.00 -0.34 0.00 0.00 42.92 43.21 3kkw s ASP 155 CO 0.14 -1.14 0.40 -0.75 0.68 0.00 0.00 175.17 174.50 3kkw s LYS 156 N -3.99 0.43 0.43 2.11 2.20 -0.56 -1.22 119.74 119.14 3kkw s LYS 156 Ca 0.19 0.65 -0.24 0.00 -0.36 0.00 0.00 55.97 56.21 3kkw s LYS 156 Cb -0.01 0.11 -0.08 0.00 -1.51 0.00 0.00 37.83 36.34 3kkw s LYS 156 CO 0.07 -0.10 1.13 -1.25 -0.36 0.00 0.00 175.35 174.84 3kkw s PRO 157 N 0.72 3.96 -0.03 4.03 0.04 -1.26 -1.57 135.00 140.89 3kkw s PRO 157 Ca -0.04 1.70 0.19 0.00 0.04 0.00 0.00 61.00 62.89 3kkw s PRO 157 Cb -0.05 -2.51 -0.22 0.00 0.04 0.00 0.00 34.50 31.75 3kkw s PRO 157 CO -0.05 -0.36 0.52 1.28 0.04 0.00 0.00 177.00 178.43 3kkw n LEU 158 N -0.22 0.34 0.00 -3.56 4.77 -0.11 -4.89 117.00 113.33 3kkw n LEU 158 Ca 0.06 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3kkw n LEU 158 Cb 0.48 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3kkw n LEU 158 CO 0.47 0.17 0.00 -0.62 -1.33 0.00 0.00 177.39 176.08