#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n ARG 3 N 0.00 -0.69 0.00 1.61 -4.01 -1.26 -4.76 116.66 107.55 3knl n ARG 3 Ca 0.00 0.99 0.00 0.00 -1.04 0.00 0.00 57.85 57.80 3knl n ARG 3 Cb 0.00 -1.11 0.00 0.00 -3.04 0.00 0.00 32.46 28.31 3knl n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 3knl n TYR 4 N 1.62 0.00 -0.67 2.89 9.36 -1.26 -4.93 117.16 124.17 3knl n TYR 4 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3knl n TYR 4 Cb 0.35 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 3knl n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3knl n ILE 5 N 0.00 -0.90 -3.94 2.97 5.41 -1.26 -5.11 119.36 116.53 3knl n ILE 5 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3knl n ILE 5 Cb 0.00 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 3knl n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knl n GLY 6 N -0.16 -1.07 3.29 7.39 0.00 -1.26 -5.08 105.19 108.29 3knl n GLY 6 Ca 0.00 -1.21 -0.58 0.00 0.00 0.00 0.00 46.02 44.24 3knl n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knl n PRO 7 N 0.00 0.17 -0.05 1.61 -0.02 -1.26 -4.83 135.00 130.62 3knl n PRO 7 Ca 0.00 0.04 -0.06 0.00 -2.02 0.00 0.00 63.50 61.47 3knl n PRO 7 Cb 0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 3knl n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3knl n VAL 8 N 6.65 1.20 -0.71 -1.45 0.31 -1.26 -4.55 118.33 118.52 3knl n VAL 8 Ca 0.53 0.23 -0.33 0.00 -0.01 0.00 0.00 64.34 64.77 3knl n VAL 8 Cb 0.01 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 30.83 3knl n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knl n ARG 10 N 6.42 0.00 0.01 0.00 1.85 -1.26 -4.69 116.66 118.98 3knl n ARG 10 Ca 0.40 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.36 3knl n ARG 10 Cb 0.29 -0.19 -0.00 0.00 -1.05 0.00 0.00 32.46 31.51 3knl n ARG 10 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 3knl n LEU 11 N -1.65 0.73 -0.12 2.89 -0.00 0.17 -3.38 117.00 115.64 3knl n LEU 11 Ca 0.00 -0.24 0.16 0.00 -0.00 0.00 0.00 56.01 55.93 3knl n LEU 11 Cb 0.00 -0.08 0.54 0.00 -0.00 0.00 0.00 43.42 43.88 3knl n LEU 11 CO 0.00 0.16 1.20 0.00 -0.00 0.00 0.00 177.39 178.75 3knl n ARG 13 N -4.46 3.99 0.00 0.00 1.85 -1.22 -2.72 116.66 114.11 3knl n ARG 13 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 3knl n ARG 13 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 3knl n ARG 13 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3knl n ARG 14 N 0.00 0.00 0.10 2.89 3.00 -1.25 -3.48 116.66 117.92 3knl n ARG 14 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.95 3knl n ARG 14 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 32.46 32.89 3knl n ARG 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3knl n GLU 15 N 0.00 0.13 0.00 -0.14 4.07 -1.25 -4.43 120.64 119.02 3knl n GLU 15 Ca 0.00 0.45 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 3knl n GLU 15 Cb 0.00 -1.79 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 3knl n GLU 15 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3knl n GLY 16 N -0.43 0.40 0.00 8.31 0.00 -1.23 -4.96 105.19 107.28 3knl n GLY 16 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3knl n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knl n VAL 17 N 0.00 0.00 -0.85 1.61 0.31 -1.26 -4.32 118.33 113.81 3knl n VAL 17 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3knl n VAL 17 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3knl n VAL 17 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3knl n LYS 18 N 0.02 0.00 -4.52 5.55 5.02 -1.26 -4.85 118.16 118.12 3knl n LYS 18 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3knl n LYS 18 Cb 0.00 -0.73 -0.16 0.00 -0.02 0.00 0.00 35.03 34.12 3knl n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3knl s LEU 19 N 0.92 2.35 -1.38 -0.35 2.96 -1.10 -5.03 118.68 117.05 3knl s LEU 19 Ca 0.45 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.71 3knl s LEU 19 Cb -0.65 -1.53 0.09 0.00 0.50 0.00 0.00 46.19 44.61 3knl s LEU 19 CO 0.33 0.07 2.03 -1.22 -1.32 0.00 0.00 176.35 176.24 3knl n TYR 20 N 4.13 3.57 -0.10 5.38 4.02 -1.26 -4.46 117.16 128.43 3knl n TYR 20 Ca -0.19 -2.93 -0.11 0.00 -0.01 0.00 0.00 57.90 54.66 3knl n TYR 20 Cb 0.51 -2.37 -0.16 0.00 -0.02 0.00 0.00 39.34 37.31 3knl n TYR 20 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3knl n LEU 21 N 5.67 0.28 0.00 7.72 4.77 -1.26 -4.71 117.00 129.48 3knl n LEU 21 Ca 0.47 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3knl n LEU 21 Cb 0.39 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3knl n LEU 21 CO 0.85 0.53 0.00 0.29 -1.33 0.00 0.00 177.39 177.72 3knl n LYS 22 N -2.81 0.00 0.00 3.23 5.02 -1.26 -4.49 118.16 117.85 3knl n LYS 22 Ca -0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 3knl n LYS 22 Cb 1.14 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.15 3knl n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knl n GLY 23 N 1.79 1.56 0.28 0.72 0.00 -1.26 -4.38 105.19 103.90 3knl n GLY 23 Ca 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 3knl n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3knl h GLU 24 N 0.00 0.95 -0.92 1.61 4.39 -2.00 -2.49 114.58 116.13 3knl h GLU 24 Ca 0.00 -0.16 0.13 0.00 0.34 0.00 0.00 59.36 59.67 3knl h GLU 24 Cb 0.00 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.41 3knl h GLU 24 CO 0.00 0.78 0.59 -0.09 -1.16 0.00 0.00 179.01 179.12 3knl h ARG 25 N 0.90 0.79 -2.65 2.33 2.43 -1.94 -2.52 114.38 113.72 3knl h ARG 25 Ca 0.22 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 3knl h ARG 25 Cb 0.16 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3knl h ARG 25 CO -0.02 0.52 0.28 0.00 -1.51 0.00 0.00 179.97 179.24 3knl n TYR 27 N 2.91 -3.33 -1.82 0.00 4.02 -0.95 -4.86 117.16 113.11 3knl n TYR 27 Ca 0.19 0.73 -0.43 0.00 -0.01 0.00 0.00 57.90 58.39 3knl n TYR 27 Cb 0.37 2.05 -0.03 0.00 -0.02 0.00 0.00 39.34 41.71 3knl n TYR 27 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3knl s SER 28 N -2.00 6.06 0.00 7.72 0.01 -0.50 -4.67 113.70 120.31 3knl s SER 28 Ca 0.00 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.23 3knl s SER 28 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3knl s SER 28 CO 0.00 -1.47 0.03 -0.81 0.41 0.00 0.00 173.24 171.40 3knl n PRO 29 N 8.05 0.00 -0.01 12.44 -0.04 -1.26 -3.72 135.00 150.45 3knl n PRO 29 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3knl n PRO 29 Cb 0.44 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 3knl n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3knl n LYS 30 N 0.38 0.00 0.00 0.54 2.85 -1.26 -4.87 118.16 115.79 3knl n LYS 30 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3knl n LYS 30 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 3knl n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3knl n ALA 32 N 0.40 0.00 0.28 0.00 0.00 -1.26 -4.10 120.51 115.83 3knl n ALA 32 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3knl n ALA 32 Cb 0.02 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.28 3knl n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3knl h MET 33 N 0.00 0.00 -0.24 0.00 1.85 -1.84 0.89 114.93 115.59 3knl h MET 33 Ca 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 3knl h MET 33 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3knl h MET 33 CO 0.00 0.04 -0.00 1.49 -0.40 0.00 0.00 176.91 178.03 3knl h GLU 34 N 0.00 0.43 0.00 0.39 4.57 -1.86 -3.08 114.58 115.03 3knl h GLU 34 Ca -0.00 -0.14 -0.23 0.00 -1.18 0.00 0.00 59.36 57.81 3knl h GLU 34 Cb 0.09 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3knl h GLU 34 CO 0.00 0.61 -1.74 0.54 -1.18 0.00 0.00 179.01 177.24 3knl n ARG 35 N -4.63 0.64 -3.25 1.92 1.74 -0.13 -4.74 116.66 108.21 3knl n ARG 35 Ca -0.04 0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 3knl n ARG 35 Cb 0.24 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 3knl n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3knl s ARG 36 N -2.81 0.92 -0.77 5.56 0.52 0.29 -5.06 118.95 117.60 3knl s ARG 36 Ca -0.05 -1.80 -0.12 0.00 -0.52 0.00 0.00 55.73 53.24 3knl s ARG 36 Cb 0.08 -1.07 -0.10 0.00 0.52 0.00 0.00 34.95 34.39 3knl s ARG 36 CO 0.83 -1.36 1.95 -0.35 0.02 0.00 0.00 175.30 176.38 3knl n PRO 37 N 2.96 1.67 -3.63 3.54 -0.04 -1.16 -4.46 135.00 133.87 3knl n PRO 37 Ca 0.26 -1.52 -0.12 0.00 -0.04 0.00 0.00 63.50 62.08 3knl n PRO 37 Cb 0.49 -2.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 3knl n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3knl s TYR 38 N 4.21 -0.74 0.22 0.54 -0.85 -1.26 -5.00 117.35 114.47 3knl s TYR 38 Ca 0.44 1.77 -0.16 0.00 -0.52 0.00 0.00 57.07 58.59 3knl s TYR 38 Cb 0.11 0.33 -0.11 0.00 0.38 0.00 0.00 41.96 42.67 3knl s TYR 38 CO 0.04 -0.36 0.17 -2.30 -1.52 0.00 0.00 175.55 171.58 3knl n PRO 39 N 2.77 0.00 0.00 -3.49 -0.02 -1.26 -4.37 135.00 128.62 3knl n PRO 39 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3knl n PRO 39 Cb 0.56 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 3knl n PRO 39 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3knl n PRO 40 N 0.83 1.54 -0.70 0.52 -0.04 -1.26 -4.31 135.00 131.58 3knl n PRO 40 Ca 0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 3knl n PRO 40 Cb 0.23 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.67 3knl n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3knl n GLY 41 N 0.00 -0.83 0.06 0.55 0.00 -1.26 -2.83 105.19 100.88 3knl n GLY 41 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 3knl n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3knl h GLN 42 N -0.84 -0.15 -1.26 1.61 4.15 -2.03 -3.16 115.11 113.43 3knl h GLN 42 Ca -0.01 0.01 0.36 0.00 0.77 0.00 0.00 58.65 59.78 3knl h GLN 42 Cb 1.13 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.79 3knl h GLN 42 CO 0.01 -0.10 0.89 0.45 -1.93 0.00 0.00 178.83 178.15 3knl h HIS 43 N -0.20 0.12 0.00 3.99 3.86 -1.95 -3.33 115.15 117.64 3knl h HIS 43 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3knl h HIS 43 Cb 0.12 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3knl h HIS 43 CO 0.14 -0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.34 3knl n GLY 44 N -1.73 0.00 2.69 2.45 0.00 -1.13 -0.25 105.19 107.22 3knl n GLY 44 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 3knl n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLN 45 N -1.78 4.13 -4.53 1.61 10.64 -1.25 -4.44 117.38 121.76 3knl n GLN 45 Ca 0.00 -3.87 -0.21 0.00 -1.83 0.00 0.00 57.00 51.08 3knl n GLN 45 Cb 0.00 -2.39 -0.15 0.00 -0.86 0.00 0.00 30.24 26.84 3knl n GLN 45 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3knl s LYS 46 N -3.53 1.09 0.00 2.61 1.02 0.65 -5.06 119.74 116.52 3knl s LYS 46 Ca 0.48 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3knl s LYS 46 Cb 0.29 -1.02 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 3knl s LYS 46 CO -0.23 0.21 0.00 -2.13 -0.92 0.00 0.00 175.35 172.28 3knl n ARG 47 N 3.02 0.00 -1.74 1.68 0.63 -1.26 -4.78 116.66 114.20 3knl n ARG 47 Ca -0.16 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.38 3knl n ARG 47 Cb 0.55 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.49 3knl n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knl n ALA 48 N 0.00 1.64 -3.62 5.13 0.00 -1.26 -5.01 120.51 117.39 3knl n ALA 48 Ca 0.00 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 3knl n ALA 48 Cb 0.00 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 3knl n ALA 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3knl s ARG 49 N -2.75 3.18 -0.72 0.00 3.00 -1.26 -5.05 118.95 115.35 3knl s ARG 49 Ca 0.69 -0.75 -0.35 0.00 -1.00 0.00 0.00 55.73 54.32 3knl s ARG 49 Cb -0.43 -2.67 -0.19 0.00 0.00 0.00 0.00 34.95 31.67 3knl s ARG 49 CO 0.51 -0.07 2.44 -2.13 0.00 0.00 0.00 175.30 176.05 3knl n ARG 50 N 4.31 0.22 -2.01 5.12 0.00 -1.26 -4.86 116.66 118.17 3knl n ARG 50 Ca -0.19 0.03 -0.42 0.00 -0.00 0.00 0.00 57.85 57.27 3knl n ARG 50 Cb 0.51 -1.78 -0.03 0.00 0.00 0.00 0.00 32.46 31.16 3knl n ARG 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3knl s PRO 51 N 7.67 4.25 0.89 -0.14 0.02 -1.26 -4.99 135.00 141.44 3knl s PRO 51 Ca 1.25 2.26 -0.10 0.00 0.02 0.00 0.00 61.00 64.43 3knl s PRO 51 Cb -1.20 -3.18 0.13 0.00 0.02 0.00 0.00 34.50 30.27 3knl s PRO 51 CO 0.52 -0.54 1.15 -1.54 -0.33 0.00 0.00 177.00 176.26 3knl s SER 52 N 1.11 3.10 0.43 2.53 1.04 -1.26 -4.54 113.70 116.10 3knl s SER 52 Ca 0.68 2.19 0.27 0.00 0.48 0.00 0.00 55.95 59.56 3knl s SER 52 Cb -0.41 -2.57 1.34 0.00 0.10 0.00 0.00 66.02 64.48 3knl s SER 52 CO 0.31 -2.98 1.66 0.44 0.98 0.00 0.00 173.24 173.65 3knl h ASP 53 N -1.71 0.30 0.07 7.02 5.19 -2.00 0.48 116.42 125.76 3knl h ASP 53 Ca -0.43 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.10 3knl h ASP 53 Cb 1.27 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.88 3knl h ASP 53 CO 0.43 -0.12 -0.03 0.22 -3.12 0.00 0.00 179.24 176.62 3knl h TYR 54 N 0.16 -0.09 -0.55 4.55 3.20 -1.97 -2.78 116.97 119.49 3knl h TYR 54 Ca 0.76 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.68 3knl h TYR 54 Cb 2.28 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 40.49 3knl h TYR 54 CO -0.00 0.24 -0.51 0.00 -1.64 0.00 0.00 178.16 176.25 3knl h ALA 55 N 0.48 -0.65 -0.88 1.82 0.00 -0.35 0.47 119.26 120.15 3knl h ALA 55 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3knl h ALA 55 Cb 0.37 1.17 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3knl h ALA 55 CO 0.02 -0.93 0.00 0.28 0.00 0.00 0.00 179.25 178.61 3knl n VAL 56 N -5.05 0.00 -0.33 0.00 0.31 -0.91 0.24 118.33 112.60 3knl n VAL 56 Ca -0.01 1.35 0.01 0.00 -0.01 0.00 0.00 64.34 65.68 3knl n VAL 56 Cb 0.28 -2.06 0.07 0.00 -0.91 0.00 0.00 33.84 31.22 3knl n VAL 56 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3knl h ARG 57 N 0.00 -0.02 -0.37 5.55 3.08 -1.24 0.73 114.38 122.11 3knl h ARG 57 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3knl h ARG 57 Cb 0.00 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 3knl h ARG 57 CO 0.00 -0.02 -0.21 1.25 -1.07 0.00 0.00 179.97 179.92 3knl h LEU 58 N -0.03 -0.71 -0.21 3.04 7.12 0.46 -2.37 115.31 122.62 3knl h LEU 58 Ca 0.37 0.15 0.03 0.00 0.13 0.00 0.00 57.88 58.57 3knl h LEU 58 Cb 0.62 0.37 -0.03 0.00 -0.53 0.00 0.00 40.66 41.09 3knl h LEU 58 CO -0.93 -0.24 0.00 0.03 -0.13 0.00 0.00 178.44 177.17 3knl h ARG 59 N -0.15 0.07 0.00 1.25 2.47 0.48 -1.12 114.38 117.37 3knl h ARG 59 Ca 0.18 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 3knl h ARG 59 Cb 0.44 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3knl h ARG 59 CO -0.46 0.04 0.00 -1.91 0.56 0.00 0.00 179.97 178.20 3knl n GLU 60 N -5.14 0.06 -0.12 0.04 4.07 0.50 -2.12 120.64 117.94 3knl n GLU 60 Ca -0.02 0.28 -0.22 0.00 -0.06 0.00 0.00 57.16 57.14 3knl n GLU 60 Cb 0.11 -1.50 -0.09 0.00 -0.06 0.00 0.00 31.44 29.90 3knl n GLU 60 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3knl n LYS 61 N -1.35 0.53 0.28 5.31 0.00 -0.68 -4.07 118.16 118.17 3knl n LYS 61 Ca 0.02 0.19 0.18 0.00 0.00 0.00 0.00 58.31 58.71 3knl n LYS 61 Cb 0.05 -1.39 0.94 0.00 0.00 0.00 0.00 35.03 34.63 3knl n LYS 61 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3knl h GLN 62 N -0.55 0.00 0.00 1.64 1.08 -0.90 -2.27 115.11 114.11 3knl h GLN 62 Ca -0.57 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.63 3knl h GLN 62 Cb 1.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 3knl h GLN 62 CO -0.27 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.24 3knl n LYS 63 N -3.40 0.00 -0.23 1.46 5.02 -0.90 -1.65 118.16 118.46 3knl n LYS 63 Ca -0.01 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.46 3knl n LYS 63 Cb 0.26 -0.86 0.23 0.00 -0.02 0.00 0.00 35.03 34.64 3knl n LYS 63 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3knl n LEU 64 N -0.67 -0.03 0.41 -0.35 7.94 -1.13 0.11 117.00 123.29 3knl n LEU 64 Ca 0.00 1.13 -0.18 0.00 -1.11 0.00 0.00 56.01 55.85 3knl n LEU 64 Cb 0.00 -0.44 -0.09 0.00 0.53 0.00 0.00 43.42 43.42 3knl n LEU 64 CO 0.00 -1.17 0.57 -0.09 -1.11 0.00 0.00 177.39 175.59 3knl h ARG 65 N 0.00 -1.01 -0.36 1.96 2.43 -1.48 -2.43 114.38 113.48 3knl h ARG 65 Ca 0.43 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.78 3knl h ARG 65 Cb 0.95 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3knl h ARG 65 CO -0.61 -0.66 0.29 0.00 -1.51 0.00 0.00 179.97 177.48 3knl h ARG 66 N -1.11 0.00 0.81 0.20 3.08 0.18 0.38 114.38 117.92 3knl h ARG 66 Ca -0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3knl h ARG 66 Cb 0.81 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.87 3knl h ARG 66 CO 0.18 0.00 -0.39 0.97 -1.07 0.00 0.00 179.97 179.66 3knl h ILE 67 N 0.00 0.00 0.00 2.04 2.10 -0.38 -2.71 117.51 118.56 3knl h ILE 67 Ca 0.17 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.93 3knl h ILE 67 Cb 0.76 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.49 3knl h ILE 67 CO -0.00 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.85 3knl n TYR 68 N -5.42 0.58 -2.62 2.19 4.02 -0.76 -4.90 117.16 110.26 3knl n TYR 68 Ca -0.13 0.22 -0.15 0.00 -0.01 0.00 0.00 57.90 57.83 3knl n TYR 68 Cb 0.43 -0.85 0.02 0.00 -0.02 0.00 0.00 39.34 38.91 3knl n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knl n GLY 69 N 0.16 -0.15 3.78 2.72 0.00 0.13 -4.98 105.19 106.85 3knl n GLY 69 Ca 0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3knl n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3knl s ILE 70 N -2.88 4.50 0.38 -0.61 2.07 -1.18 -4.72 121.20 118.76 3knl s ILE 70 Ca 0.14 -0.87 -0.27 0.00 -1.41 0.00 0.00 60.65 58.25 3knl s ILE 70 Cb -0.06 -3.21 -0.09 0.00 0.13 0.00 0.00 42.46 39.23 3knl s ILE 70 CO 0.18 0.06 1.28 -0.94 -1.91 0.00 0.00 174.94 173.61 3knl s SER 71 N -2.60 6.50 0.32 4.50 1.04 -1.26 -4.76 113.70 117.43 3knl s SER 71 Ca 0.30 2.62 0.07 0.00 0.48 0.00 0.00 55.95 59.42 3knl s SER 71 Cb -0.12 -2.64 0.89 0.00 0.10 0.00 0.00 66.02 64.26 3knl s SER 71 CO 0.22 -0.72 1.60 -0.08 0.98 0.00 0.00 173.24 175.25 3knl h GLU 72 N 2.91 0.09 0.22 4.02 4.57 -1.98 -1.66 114.58 122.75 3knl h GLU 72 Ca -0.49 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 3knl h GLU 72 Cb 1.24 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 3knl h GLU 72 CO 0.63 0.06 -0.22 -0.09 -1.18 0.00 0.00 179.01 178.21 3knl h ARG 73 N 0.09 -0.42 0.00 1.92 9.65 -1.99 0.60 114.38 124.24 3knl h ARG 73 Ca 0.65 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.56 3knl h ARG 73 Cb 1.44 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.12 3knl h ARG 73 CO -0.78 -0.28 0.21 1.96 2.80 0.00 0.00 179.97 183.88 3knl h GLN 74 N -0.44 0.00 0.00 0.20 4.20 -1.78 0.37 115.11 117.66 3knl h GLN 74 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3knl h GLN 74 Cb 0.38 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 3knl h GLN 74 CO -0.03 0.00 -0.03 0.35 -0.67 0.00 0.00 178.83 178.45 3knl h PHE 75 N 0.00 0.00 -0.94 2.96 3.57 -0.28 -2.83 116.94 119.42 3knl h PHE 75 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3knl h PHE 75 Cb 0.42 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 3knl h PHE 75 CO 0.00 0.30 0.62 -0.09 -2.23 0.00 0.00 178.31 176.91 3knl h ARG 76 N -1.00 1.22 -0.75 1.11 9.65 0.11 0.70 114.38 125.42 3knl h ARG 76 Ca -0.00 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3knl h ARG 76 Cb 0.32 -0.28 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 3knl h ARG 76 CO -0.00 0.81 0.48 -0.91 2.80 0.00 0.00 179.97 183.14 3knl h ASN 77 N 1.26 0.79 0.25 -3.80 4.21 -0.44 0.62 115.58 118.46 3knl h ASN 77 Ca 0.35 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 3knl h ASN 77 Cb -0.13 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 36.90 3knl h ASN 77 CO -0.08 0.55 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.42 3knl h LEU 78 N 0.93 -0.28 -0.94 1.61 3.38 -1.01 -2.22 115.31 116.78 3knl h LEU 78 Ca 0.30 -0.24 0.24 0.00 0.09 0.00 0.00 57.88 58.27 3knl h LEU 78 Cb 0.00 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.70 3knl h LEU 78 CO -0.11 0.15 0.47 0.15 0.09 0.00 0.00 178.44 179.20 3knl h PHE 79 N -0.78 0.79 0.00 1.13 3.57 -0.72 1.24 116.94 122.17 3knl h PHE 79 Ca -0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3knl h PHE 79 Cb 0.51 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3knl h PHE 79 CO 0.05 -0.04 -0.18 0.93 -2.23 0.00 0.00 178.31 176.84 3knl h GLU 80 N 0.44 0.00 0.00 1.11 4.39 -0.79 -0.91 114.58 118.82 3knl h GLU 80 Ca 0.61 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.31 3knl h GLU 80 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3knl h GLU 80 CO -0.53 0.18 -0.01 1.49 -1.16 0.00 0.00 179.01 178.98 3knl h GLU 81 N 0.00 0.01 -0.23 2.33 4.81 0.20 -3.24 114.58 118.46 3knl h GLU 81 Ca -0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3knl h GLU 81 Cb 0.58 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 3knl h GLU 81 CO 0.02 0.83 -0.13 0.00 -0.73 0.00 0.00 179.01 179.00 3knl h ALA 82 N 0.18 0.05 -0.79 2.92 0.00 -0.60 -2.06 119.26 118.96 3knl h ALA 82 Ca -0.00 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3knl h ALA 82 Cb 0.83 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 3knl h ALA 82 CO 0.00 -0.55 -0.58 0.77 0.00 0.00 0.00 179.25 178.90 3knl h SER 83 N -0.11 -2.06 -0.37 0.00 0.02 -1.25 -1.06 113.55 108.72 3knl h SER 83 Ca 0.13 0.30 0.06 0.00 -0.84 0.00 0.00 61.79 61.44 3knl h SER 83 Cb 0.30 0.89 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 3knl h SER 83 CO -0.30 -0.29 0.05 0.11 -1.14 0.00 0.00 176.83 175.26 3knl h LYS 84 N -0.14 0.17 -6.25 3.45 1.79 -1.51 -3.44 116.57 110.64 3knl h LYS 84 Ca 0.13 -0.01 -0.59 0.00 -2.18 0.00 0.00 60.65 58.00 3knl h LYS 84 Cb 0.48 -0.04 0.18 0.00 -1.58 0.00 0.00 32.23 31.27 3knl h LYS 84 CO -0.82 0.11 -0.81 1.63 -1.08 0.00 0.00 179.45 178.48 3knl n LYS 85 N -5.12 0.23 -2.89 3.15 4.76 -0.40 -4.88 118.16 113.01 3knl n LYS 85 Ca 0.02 0.09 -0.40 0.00 -2.87 0.00 0.00 58.31 55.15 3knl n LYS 85 Cb 0.17 -1.34 -0.05 0.00 -1.84 0.00 0.00 35.03 31.98 3knl n LYS 85 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3knl s LYS 86 N -1.58 4.55 0.00 1.97 -0.14 -1.26 -4.81 119.74 118.47 3knl s LYS 86 Ca 0.62 1.19 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 3knl s LYS 86 Cb -0.46 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.30 3knl s LYS 86 CO 0.61 0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.81 3knl n GLY 87 N 2.49 2.05 3.56 -3.33 0.00 -1.26 -4.96 105.19 103.74 3knl n GLY 87 Ca 0.00 -2.15 -0.17 0.00 0.00 0.00 0.00 46.02 43.69 3knl n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knl n VAL 88 N -1.14 -0.01 -0.34 1.61 0.31 -1.26 -4.80 118.33 112.69 3knl n VAL 88 Ca 0.00 -0.55 0.14 0.00 -0.01 0.00 0.00 64.34 63.93 3knl n VAL 88 Cb 0.00 -2.03 0.29 0.00 -0.91 0.00 0.00 33.84 31.19 3knl n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3knl h THR 89 N 7.67 0.01 0.01 2.52 2.02 -1.87 -0.14 112.91 123.12 3knl h THR 89 Ca -0.04 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3knl h THR 89 Cb 1.05 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3knl h THR 89 CO 1.06 0.00 -0.08 1.23 0.37 0.00 0.00 175.52 178.10 3knl h GLY 90 N 0.00 -1.31 0.00 2.16 0.00 -1.94 -2.22 103.07 99.78 3knl h GLY 90 Ca 0.60 0.59 0.00 0.00 0.00 0.00 0.00 47.33 48.51 3knl h GLY 90 CO -0.94 -0.47 0.00 1.44 0.00 0.00 0.00 176.54 176.57 3knl n SER 91 N -2.94 0.00 -0.15 0.19 7.64 -0.28 -2.33 113.62 115.76 3knl n SER 91 Ca -0.01 0.87 0.13 0.00 1.01 0.00 0.00 58.87 60.87 3knl n SER 91 Cb 0.06 -0.37 0.25 0.00 -1.01 0.00 0.00 64.21 63.14 3knl n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3knl n VAL 92 N -1.97 -0.19 0.00 0.44 0.31 -0.23 -0.87 118.33 115.83 3knl n VAL 92 Ca 0.00 0.93 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 3knl n VAL 92 Cb 0.00 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 3knl n VAL 92 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3knl n PHE 93 N -4.08 0.00 -0.31 3.52 -0.00 -0.83 -1.62 117.46 114.13 3knl n PHE 93 Ca 0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.64 3knl n PHE 93 Cb 0.55 -0.01 0.09 0.00 -0.00 0.00 0.00 39.48 40.11 3knl n PHE 93 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3knl n LEU 94 N -0.76 -0.40 -0.30 -2.13 4.32 -0.05 0.14 117.00 117.83 3knl n LEU 94 Ca 0.00 1.47 -0.02 0.00 -0.02 0.00 0.00 56.01 57.43 3knl n LEU 94 Cb 0.00 -0.40 0.01 0.00 -1.62 0.00 0.00 43.42 41.41 3knl n LEU 94 CO 0.00 -1.37 0.44 0.61 -1.22 0.00 0.00 177.39 175.85 3knl n GLY 95 N -1.48 -1.66 0.22 -0.72 0.00 -0.76 0.61 105.19 101.40 3knl n GLY 95 Ca 0.12 0.87 -0.12 0.00 0.00 0.00 0.00 46.02 46.89 3knl n GLY 95 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knl h LEU 96 N 0.00 0.75 -2.08 0.99 4.07 0.22 -1.83 115.31 117.43 3knl h LEU 96 Ca 0.24 -0.42 0.01 0.00 0.08 0.00 0.00 57.88 57.79 3knl h LEU 96 Cb 0.44 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 3knl h LEU 96 CO -0.76 1.17 0.01 -0.07 -1.08 0.00 0.00 178.44 177.72 3knl h LEU 97 N 0.50 0.00 0.10 1.67 3.38 0.12 0.39 115.31 121.47 3knl h LEU 97 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3knl h LEU 97 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3knl h LEU 97 CO 0.12 0.00 -1.38 -0.08 0.09 0.00 0.00 178.44 177.18 3knl h GLU 98 N 0.00 0.21 0.00 1.13 4.57 -0.65 -3.16 114.58 116.67 3knl h GLU 98 Ca 0.01 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 3knl h GLU 98 Cb 0.04 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3knl h GLU 98 CO -0.00 1.09 0.00 0.45 -1.18 0.00 0.00 179.01 179.37 3knl n SER 99 N -3.44 0.03 -4.72 1.04 2.88 0.08 -4.10 113.62 105.40 3knl n SER 99 Ca -0.12 0.51 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 3knl n SER 99 Cb 1.02 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 3knl n SER 99 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3knl s ARG 100 N -3.03 4.26 0.03 -1.46 3.52 -0.94 -0.77 118.95 120.55 3knl s ARG 100 Ca 0.00 2.24 -0.10 0.00 -0.13 0.00 0.00 55.73 57.74 3knl s ARG 100 Cb 0.01 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 3knl s ARG 100 CO 0.02 -0.54 1.16 1.25 -0.81 0.00 0.00 175.30 176.38 3knl h LEU 101 N 6.80 -0.46 -0.89 -0.88 5.85 -0.15 -0.06 115.31 125.51 3knl h LEU 101 Ca -0.42 0.05 0.33 0.00 0.84 0.00 0.00 57.88 58.68 3knl h LEU 101 Cb 1.21 0.17 -0.16 0.00 0.37 0.00 0.00 40.66 42.24 3knl h LEU 101 CO 0.89 -0.17 0.34 -0.90 -0.34 0.00 0.00 178.44 178.27 3knl n ASP 102 N -3.32 0.18 -0.00 1.25 5.75 -0.58 0.11 116.55 119.94 3knl n ASP 102 Ca -0.03 1.49 -0.12 0.00 -0.01 0.00 0.00 54.79 56.12 3knl n ASP 102 Cb 0.12 -0.67 -0.07 0.00 -1.03 0.00 0.00 41.12 39.47 3knl n ASP 102 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 3knl h ASN 103 N 0.00 0.08 0.02 -1.12 -1.24 -1.58 -3.21 115.58 108.53 3knl h ASN 103 Ca 0.69 -0.22 0.01 0.00 0.71 0.00 0.00 56.30 57.49 3knl h ASN 103 Cb 1.73 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 40.72 3knl h ASN 103 CO -0.73 0.28 -0.40 0.58 -1.29 0.00 0.00 177.43 175.87 3knl h VAL 104 N -0.13 0.00 0.00 2.57 2.07 0.26 0.19 116.25 121.22 3knl h VAL 104 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3knl h VAL 104 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3knl h VAL 104 CO -0.00 0.00 0.32 0.52 0.02 0.00 0.00 177.57 178.43 3knl n VAL 105 N -4.68 0.75 0.02 2.57 0.31 -0.94 0.22 118.33 116.58 3knl n VAL 105 Ca -0.06 0.59 -0.21 0.00 -0.01 0.00 0.00 64.34 64.65 3knl n VAL 105 Cb 0.30 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.49 3knl n VAL 105 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3knl h TYR 106 N 0.00 0.46 -0.53 3.52 3.20 -0.62 -2.08 116.97 120.93 3knl h TYR 106 Ca 0.00 -0.34 -0.07 0.00 3.14 0.00 0.00 58.73 61.46 3knl h TYR 106 Cb 0.64 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3knl h TYR 106 CO 0.00 1.52 0.03 0.00 -1.64 0.00 0.00 178.16 178.07 3knl h ARG 107 N -0.31 0.88 0.00 1.82 2.47 0.04 0.14 114.38 119.41 3knl h ARG 107 Ca -0.28 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3knl h ARG 107 Cb 1.75 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.96 3knl h ARG 107 CO 0.07 0.85 0.00 1.28 0.56 0.00 0.00 179.97 182.74 3knl n LEU 108 N -4.22 0.00 -2.88 3.04 4.32 -1.00 -4.62 117.00 111.66 3knl n LEU 108 Ca 0.03 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.82 3knl n LEU 108 Cb 0.29 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.10 3knl n LEU 108 CO 0.42 0.00 -0.09 0.61 -1.22 0.00 0.00 177.39 177.11 3knl n GLY 109 N 0.77 -0.50 0.12 -0.72 0.00 0.03 -4.80 105.19 100.09 3knl n GLY 109 Ca 0.19 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.39 3knl n GLY 109 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knl n PHE 110 N -4.01 0.75 -4.05 1.61 3.01 -0.78 -4.46 117.46 109.53 3knl n PHE 110 Ca -0.12 0.30 -0.13 0.00 1.01 0.00 0.00 57.45 58.51 3knl n PHE 110 Cb 0.61 -0.98 -0.13 0.00 -0.01 0.00 0.00 39.48 38.97 3knl n PHE 110 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knl s ALA 111 N -3.31 0.36 0.10 4.37 0.00 -1.23 -4.79 121.76 117.26 3knl s ALA 111 Ca 0.04 -0.43 0.22 0.00 0.00 0.00 0.00 51.96 51.79 3knl s ALA 111 Cb 0.09 0.00 0.78 0.00 0.00 0.00 0.00 23.12 24.00 3knl s ALA 111 CO 0.37 0.00 1.77 -0.24 0.00 0.00 0.00 175.76 177.66 3knl h VAL 112 N 4.80 0.63 -3.69 0.00 3.04 -1.92 -3.45 116.25 115.65 3knl h VAL 112 Ca -0.31 -1.29 -0.27 0.00 -1.01 0.00 0.00 66.70 63.82 3knl h VAL 112 Cb 1.20 1.86 -0.16 0.00 -2.01 0.00 0.00 31.29 32.19 3knl h VAL 112 CO 0.46 0.27 -0.71 -0.94 -1.01 0.00 0.00 177.57 175.63 3knl s SER 113 N -6.26 1.36 0.06 3.17 1.04 -1.26 -4.66 113.70 107.14 3knl s SER 113 Ca 0.01 -0.95 -0.27 0.00 0.48 0.00 0.00 55.95 55.22 3knl s SER 113 Cb 0.10 0.05 -0.17 0.00 0.10 0.00 0.00 66.02 66.10 3knl s SER 113 CO 0.66 -0.38 1.58 0.03 0.98 0.00 0.00 173.24 176.10 3knl h ARG 114 N 3.09 -0.36 -0.42 4.02 2.47 -1.82 -2.03 114.38 119.34 3knl h ARG 114 Ca -0.36 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.51 3knl h ARG 114 Cb 1.18 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 3knl h ARG 114 CO 0.61 -0.17 0.32 0.00 0.56 0.00 0.00 179.97 181.29 3knl h ARG 115 N -0.47 0.00 0.00 0.04 3.08 -1.90 -1.27 114.38 113.86 3knl h ARG 115 Ca -0.04 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 3knl h ARG 115 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3knl h ARG 115 CO 0.06 0.00 -1.03 0.37 -1.07 0.00 0.00 179.97 178.30 3knl h GLN 116 N 0.00 0.00 -0.19 0.04 4.15 -1.86 -3.25 115.11 114.01 3knl h GLN 116 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 3knl h GLN 116 Cb 0.83 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 3knl h GLN 116 CO -0.00 0.62 0.11 0.00 -1.93 0.00 0.00 178.83 177.62 3knl h ALA 117 N 1.25 0.24 -0.26 3.38 0.00 -0.50 -2.46 119.26 120.90 3knl h ALA 117 Ca -0.08 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3knl h ALA 117 Cb 1.64 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 3knl h ALA 117 CO 0.08 -0.24 -0.37 -0.09 0.00 0.00 0.00 179.25 178.63 3knl h ARG 118 N 0.21 -0.26 -1.08 0.00 2.43 -1.56 0.20 114.38 114.32 3knl h ARG 118 Ca 0.07 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.55 3knl h ARG 118 Cb 0.05 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 3knl h ARG 118 CO -0.01 -0.17 0.70 0.37 -1.51 0.00 0.00 179.97 179.35 3knl h GLN 119 N -0.27 0.31 -0.38 0.20 4.15 -1.55 0.15 115.11 117.72 3knl h GLN 119 Ca 0.05 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 3knl h GLN 119 Cb 0.39 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3knl h GLN 119 CO -0.39 0.21 -0.23 -0.07 -1.93 0.00 0.00 178.83 176.42 3knl h LEU 120 N 0.32 0.86 0.28 -2.39 3.38 -0.19 -1.05 115.31 116.51 3knl h LEU 120 Ca 0.62 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3knl h LEU 120 Cb 1.69 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3knl h LEU 120 CO -0.29 1.09 -0.13 0.58 0.09 0.00 0.00 178.44 179.78 3knl h VAL 121 N 0.62 0.54 -0.37 1.22 2.07 0.74 -1.66 116.25 119.42 3knl h VAL 121 Ca 0.08 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 66.86 3knl h VAL 121 Cb 0.79 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3knl h VAL 121 CO 0.06 0.13 0.31 -0.09 0.02 0.00 0.00 177.57 178.00 3knl h ARG 122 N -0.94 0.00 -0.69 1.57 1.12 -1.02 0.43 114.38 114.85 3knl h ARG 122 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3knl h ARG 122 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 3knl h ARG 122 CO 0.06 0.00 0.00 0.72 -3.11 0.00 0.00 179.97 177.64 3knl n HIS 123 N -4.12 0.83 -1.61 2.20 8.25 -0.40 -4.91 115.22 115.46 3knl n HIS 123 Ca 0.06 -0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 57.01 3knl n HIS 123 Cb 0.49 -0.22 -0.09 0.00 1.12 0.00 0.00 29.99 31.29 3knl n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knl n GLY 124 N 0.47 1.99 0.15 -1.41 0.00 0.15 -4.88 105.19 101.66 3knl n GLY 124 Ca 0.12 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3knl n GLY 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3knl h HIS 125 N 0.00 0.95 -3.83 1.61 3.86 -1.45 -3.47 115.15 112.81 3knl h HIS 125 Ca -0.43 -0.69 -0.48 0.00 -1.16 0.00 0.00 60.37 57.61 3knl h HIS 125 Cb 1.36 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.79 3knl h HIS 125 CO 0.59 1.56 0.18 0.42 0.86 0.00 0.00 177.93 181.54 3knl s ILE 126 N -2.60 4.67 0.02 2.45 -1.09 -1.22 -3.29 121.20 120.12 3knl s ILE 126 Ca -0.09 0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 59.22 3knl s ILE 126 Cb 0.04 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3knl s ILE 126 CO 0.94 -0.43 0.03 0.28 -1.23 0.00 0.00 174.94 174.53 3knl s THR 127 N -2.28 0.10 -0.15 2.92 -1.32 0.11 -3.97 115.64 111.06 3knl s THR 127 Ca 0.55 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 60.18 3knl s THR 127 Cb -0.10 -0.37 0.01 0.00 -1.51 0.00 0.00 72.50 70.53 3knl s THR 127 CO 0.25 -0.48 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.28 3knl s VAL 128 N -1.54 2.04 -1.41 5.08 1.01 -0.33 -1.18 120.40 124.08 3knl s VAL 128 Ca -0.15 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 3knl s VAL 128 Cb -0.08 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3knl s VAL 128 CO -0.00 0.54 0.30 0.59 0.00 0.00 0.00 175.10 176.53 3knl n ASN 129 N 4.21 -1.18 0.00 3.32 3.02 -0.08 -2.46 115.26 122.10 3knl n ASN 129 Ca -0.20 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 3knl n ASN 129 Cb 0.51 -1.73 0.00 0.00 -0.61 0.00 0.00 39.78 37.95 3knl n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knl n GLY 130 N -2.35 2.18 3.40 7.41 0.00 -1.26 -4.97 105.19 109.60 3knl n GLY 130 Ca -0.24 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 3knl n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knl n ARG 131 N 0.00 0.30 -3.49 1.61 1.74 -1.03 -4.89 116.66 110.91 3knl n ARG 131 Ca 0.00 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 3knl n ARG 131 Cb 0.00 -1.24 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 3knl n ARG 131 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3knl s ARG 132 N -1.23 2.84 -0.07 5.56 1.70 -1.26 -1.18 118.95 125.30 3knl s ARG 132 Ca 0.62 -2.05 -0.27 0.00 -0.47 0.00 0.00 55.73 53.56 3knl s ARG 132 Cb -0.72 -4.07 -0.03 0.00 -0.57 0.00 0.00 34.95 29.56 3knl s ARG 132 CO 0.59 -1.24 0.86 0.08 -1.08 0.00 0.00 175.30 174.51 3knl s VAL 133 N 0.88 4.92 -0.15 4.99 1.01 -1.25 -4.96 120.40 125.84 3knl s VAL 133 Ca 0.10 1.76 0.17 0.00 0.00 0.00 0.00 61.98 64.01 3knl s VAL 133 Cb -0.22 -4.18 0.34 0.00 0.00 0.00 0.00 36.38 32.31 3knl s VAL 133 CO -0.02 0.15 1.18 -0.90 0.00 0.00 0.00 175.10 175.51 3knl n ASP 134 N 4.25 2.27 -4.35 3.32 3.85 -1.26 -4.68 116.55 119.94 3knl n ASP 134 Ca 0.03 -3.29 -0.43 0.00 -0.71 0.00 0.00 54.79 50.39 3knl n ASP 134 Cb 0.50 -0.46 -0.09 0.00 -1.35 0.00 0.00 41.12 39.73 3knl n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3knl s LEU 135 N -2.97 5.40 0.33 -2.12 2.01 -1.26 -3.50 118.68 116.57 3knl s LEU 135 Ca 0.34 -1.34 0.10 0.00 0.01 0.00 0.00 54.13 53.24 3knl s LEU 135 Cb 0.31 -2.11 1.00 0.00 0.01 0.00 0.00 46.19 45.39 3knl s LEU 135 CO 0.01 -0.59 1.51 -2.65 1.01 0.00 0.00 176.35 175.64 3knl n PRO 136 N 5.10 -0.07 0.05 1.29 -0.02 -1.26 -0.28 135.00 139.81 3knl n PRO 136 Ca -0.12 1.39 0.10 0.00 -2.02 0.00 0.00 63.50 62.85 3knl n PRO 136 Cb 0.44 -2.33 0.41 0.00 -0.02 0.00 0.00 33.50 32.00 3knl n PRO 136 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3knl n SER 137 N -5.31 0.30 -4.55 2.55 3.41 -1.26 -1.52 113.62 107.24 3knl n SER 137 Ca 0.29 0.56 -0.60 0.00 -0.26 0.00 0.00 58.87 58.87 3knl n SER 137 Cb 0.97 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 3knl n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3knl n TYR 138 N -1.82 0.93 -3.23 7.33 9.36 0.61 -4.43 117.16 125.91 3knl n TYR 138 Ca 0.04 1.02 -0.44 0.00 3.32 0.00 0.00 57.90 61.84 3knl n TYR 138 Cb 0.23 -2.14 -0.07 0.00 -0.63 0.00 0.00 39.34 36.73 3knl n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3knl s ARG 139 N 0.60 3.08 -0.07 2.98 3.52 -1.26 0.29 118.95 128.09 3knl s ARG 139 Ca 0.93 -1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 3knl s ARG 139 Cb -1.27 -4.12 -0.05 0.00 -1.56 0.00 0.00 34.95 27.95 3knl s ARG 139 CO 0.60 -1.18 1.59 0.08 -0.81 0.00 0.00 175.30 175.58 3knl s VAL 140 N 2.32 3.69 0.76 7.11 1.01 0.05 -4.98 120.40 130.36 3knl s VAL 140 Ca 0.11 0.84 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 3knl s VAL 140 Cb -0.21 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.70 3knl s VAL 140 CO 0.10 -0.07 1.10 -0.13 0.00 0.00 0.00 175.10 176.10 3knl s ARG 141 N 3.92 1.98 -0.02 2.72 0.52 -1.26 -4.88 118.95 121.94 3knl s ARG 141 Ca 0.70 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.47 3knl s ARG 141 Cb -0.31 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 3knl s ARG 141 CO 0.27 -1.46 1.16 -2.14 0.02 0.00 0.00 175.30 173.14 3knl s PRO 142 N -5.42 4.40 0.00 3.54 0.02 -1.26 -3.33 135.00 132.95 3knl s PRO 142 Ca 0.62 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3knl s PRO 142 Cb -0.10 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.93 3knl s PRO 142 CO 0.47 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 3knl n GLY 143 N 3.25 0.98 3.78 0.52 0.00 -0.73 -5.05 105.19 107.93 3knl n GLY 143 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3knl n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3knl s ASP 144 N -1.85 6.96 -0.20 1.61 1.11 -1.21 -4.97 116.67 118.12 3knl s ASP 144 Ca 0.00 1.14 -0.17 0.00 0.18 0.00 0.00 52.55 53.70 3knl s ASP 144 Cb 0.00 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 3knl s ASP 144 CO 0.00 0.15 0.43 -1.61 1.18 0.00 0.00 175.17 175.32 3knl s GLU 145 N -0.41 4.19 -0.16 8.23 2.02 -1.26 -2.73 118.70 128.58 3knl s GLU 145 Ca 0.29 0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.56 3knl s GLU 145 Cb -0.18 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.52 3knl s GLU 145 CO 0.17 -0.06 -0.19 0.42 0.02 0.00 0.00 175.26 175.62 3knl s ILE 146 N 1.35 2.25 0.26 -1.63 1.09 -1.05 -0.90 121.20 122.57 3knl s ILE 146 Ca 0.21 -0.90 -0.21 0.00 -1.10 0.00 0.00 60.65 58.65 3knl s ILE 146 Cb -0.15 -1.94 0.03 0.00 -1.06 0.00 0.00 42.46 39.34 3knl s ILE 146 CO 0.08 0.53 0.68 0.00 -0.10 0.00 0.00 174.94 176.14 3knl s ALA 147 N 1.03 -1.21 1.07 9.38 0.00 -0.32 -1.24 121.76 130.47 3knl s ALA 147 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 3knl s ALA 147 Cb -0.14 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.91 3knl s ALA 147 CO -0.06 -0.98 0.18 0.28 0.00 0.00 0.00 175.76 175.18 3knl n VAL 148 N -0.44 0.00 -3.96 0.00 0.31 -1.20 -0.71 118.33 112.33 3knl n VAL 148 Ca -0.06 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 3knl n VAL 148 Cb 0.60 -0.54 -0.06 0.00 -0.91 0.00 0.00 33.84 32.93 3knl n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knl s ALA 149 N -2.43 -0.08 0.00 3.52 0.00 -1.21 -4.50 121.76 117.06 3knl s ALA 149 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3knl s ALA 149 Cb -0.02 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3knl s ALA 149 CO 0.10 -0.70 0.00 -0.85 0.00 0.00 0.00 175.76 174.31 3knl n GLU 150 N -0.26 0.00 -0.32 0.00 0.00 -1.26 0.31 120.64 119.11 3knl n GLU 150 Ca -0.06 0.00 0.28 0.00 0.00 0.00 0.00 57.16 57.38 3knl n GLU 150 Cb 0.63 -0.01 0.52 0.00 0.00 0.00 0.00 31.44 32.58 3knl n GLU 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3knl n LYS 151 N 0.00 -0.06 0.10 3.44 4.81 -1.26 0.13 118.16 125.32 3knl n LYS 151 Ca 0.00 1.36 -0.03 0.00 -0.87 0.00 0.00 58.31 58.77 3knl n LYS 151 Cb 0.00 -2.39 0.01 0.00 0.02 0.00 0.00 35.03 32.67 3knl n LYS 151 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3knl h SER 152 N 0.00 0.00 0.00 3.14 0.02 -1.52 -3.34 113.55 111.85 3knl h SER 152 Ca 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.73 3knl h SER 152 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 3knl h SER 152 CO -0.78 0.79 0.00 -1.14 -1.14 0.00 0.00 176.83 174.56 3knl n ARG 153 N -3.48 0.00 -2.16 3.45 0.63 0.91 -2.66 116.66 113.36 3knl n ARG 153 Ca -0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 3knl n ARG 153 Cb 0.80 -1.00 0.04 0.00 0.45 0.00 0.00 32.46 32.75 3knl n ARG 153 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3knl n ASN 154 N -0.36 0.29 -4.92 6.15 3.02 -1.25 -5.01 115.26 113.18 3knl n ASN 154 Ca 0.00 -2.06 -0.20 0.00 -0.03 0.00 0.00 54.58 52.29 3knl n ASN 154 Cb 0.00 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 3knl n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3knl s LEU 155 N -2.30 3.54 0.00 3.41 1.43 -1.09 -5.03 118.68 118.65 3knl s LEU 155 Ca 0.20 -0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 3knl s LEU 155 Cb 0.31 -2.29 -0.13 0.00 0.03 0.00 0.00 46.19 44.12 3knl s LEU 155 CO -0.09 -0.62 0.99 -0.33 0.23 0.00 0.00 176.35 176.53 3knl h GLU 156 N 0.95 -0.79 -0.86 1.70 3.07 -1.99 -2.79 114.58 113.87 3knl h GLU 156 Ca -0.42 0.05 0.16 0.00 -0.50 0.00 0.00 59.36 58.65 3knl h GLU 156 Cb 1.27 0.18 -0.16 0.00 -0.84 0.00 0.00 28.75 29.20 3knl h GLU 156 CO 0.54 -0.53 -0.25 -0.11 -1.40 0.00 0.00 179.01 177.25 3knl n LEU 157 N -5.15 -0.39 -0.16 1.33 7.94 -1.26 0.76 117.00 120.08 3knl n LEU 157 Ca -0.10 1.49 -0.04 0.00 -1.11 0.00 0.00 56.01 56.25 3knl n LEU 157 Cb 0.33 -0.41 0.05 0.00 0.53 0.00 0.00 43.42 43.92 3knl n LEU 157 CO 0.25 -1.40 0.98 0.40 -1.11 0.00 0.00 177.39 176.51 3knl h ILE 158 N 0.00 0.88 0.00 1.96 1.08 -1.86 -2.04 117.51 117.53 3knl h ILE 158 Ca 0.38 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 3knl h ILE 158 Cb 0.59 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 3knl h ILE 158 CO -0.88 0.07 0.00 0.54 -0.69 0.00 0.00 178.15 177.20 3knl n ARG 159 N -4.96 0.00 -0.15 2.37 5.12 0.23 -1.95 116.66 117.32 3knl n ARG 159 Ca 0.05 0.57 -0.12 0.00 -1.93 0.00 0.00 57.85 56.42 3knl n ARG 159 Cb 0.17 -1.42 -0.09 0.00 -1.16 0.00 0.00 32.46 29.96 3knl n ARG 159 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3knl h GLN 160 N 0.00 -0.30 -1.61 5.56 4.20 -1.53 0.88 115.11 122.32 3knl h GLN 160 Ca 0.00 0.02 0.47 0.00 0.06 0.00 0.00 58.65 59.20 3knl h GLN 160 Cb 0.00 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 3knl h GLN 160 CO 0.00 -0.20 1.27 -0.91 -0.67 0.00 0.00 178.83 178.33 3knl h ASN 161 N -0.31 0.00 0.04 1.46 4.21 -1.37 0.22 115.58 119.83 3knl h ASN 161 Ca 0.07 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.21 3knl h ASN 161 Cb 0.50 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.63 3knl h ASN 161 CO -0.55 0.00 -2.36 0.18 -1.29 0.00 0.00 177.43 173.41 3knl n LEU 162 N -3.80 1.68 -0.12 1.61 4.77 0.14 -3.94 117.00 117.34 3knl n LEU 162 Ca 0.36 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 3knl n LEU 162 Cb 1.76 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 42.56 3knl n LEU 162 CO 0.39 0.73 0.96 -0.08 -1.33 0.00 0.00 177.39 178.06 3knl h GLU 163 N 0.01 0.32 -0.86 3.23 4.57 0.36 -0.10 114.58 122.10 3knl h GLU 163 Ca -0.54 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 57.77 3knl h GLU 163 Cb 2.05 -0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 30.48 3knl h GLU 163 CO -0.02 0.21 0.45 0.00 -1.18 0.00 0.00 179.01 178.47 3knl h ALA 164 N 1.25 1.31 0.00 2.92 0.00 -1.29 0.04 119.26 123.49 3knl h ALA 164 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3knl h ALA 164 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3knl h ALA 164 CO -0.18 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.67 3knl n MET 165 N -4.86 0.00 -2.34 0.00 2.81 -0.06 -4.46 117.12 108.22 3knl n MET 165 Ca 0.18 0.46 -0.43 0.00 -1.81 0.00 0.00 57.70 56.10 3knl n MET 165 Cb 0.44 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 3knl n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3knl s LYS 166 N -3.00 4.16 0.00 0.03 1.02 -0.00 -2.50 119.74 119.45 3knl s LYS 166 Ca 0.01 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.70 3knl s LYS 166 Cb 0.01 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 3knl s LYS 166 CO 0.04 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 3knl n GLY 167 N 3.84 2.94 1.04 -3.33 0.00 -1.26 -5.03 105.19 103.39 3knl n GLY 167 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 3knl n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knl n ARG 168 N -0.15 -2.93 -3.87 1.61 1.74 -1.04 -5.07 116.66 106.95 3knl n ARG 168 Ca 0.00 -0.48 -0.12 0.00 -0.77 0.00 0.00 57.85 56.48 3knl n ARG 168 Cb 0.00 -0.62 -0.14 0.00 -1.02 0.00 0.00 32.46 30.68 3knl n ARG 168 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3knl s LYS 169 N -3.68 0.00 0.19 5.56 1.02 -1.26 -5.09 119.74 116.48 3knl s LYS 169 Ca 0.22 0.01 0.06 0.00 0.02 0.00 0.00 55.97 56.27 3knl s LYS 169 Cb -0.04 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 3knl s LYS 169 CO 0.18 -0.00 0.14 0.08 -0.92 0.00 0.00 175.35 174.83 3knl s VAL 170 N 0.02 4.39 0.13 3.17 1.01 -1.26 -5.04 120.40 122.81 3knl s VAL 170 Ca -0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 3knl s VAL 170 Cb -0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 3knl s VAL 170 CO -0.00 -0.18 0.07 0.61 0.00 0.00 0.00 175.10 175.59 3knl n GLY 171 N -0.56 -0.92 0.35 4.51 0.00 -1.26 -4.61 105.19 102.69 3knl n GLY 171 Ca -0.08 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.13 3knl n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3knl h PRO 172 N 0.17 0.00 -0.13 1.61 0.11 -1.96 0.31 132.00 132.11 3knl h PRO 172 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3knl h PRO 172 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3knl h PRO 172 CO 0.18 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.30 3knl n TRP 173 N -4.13 0.14 -4.41 0.65 2.14 -1.26 -4.95 117.44 105.61 3knl n TRP 173 Ca 0.04 -0.07 -0.27 0.00 2.07 0.00 0.00 57.50 59.28 3knl n TRP 173 Cb 0.42 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.82 3knl n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3knl s LEU 174 N -1.83 2.98 0.04 5.67 1.43 0.11 -2.04 118.68 125.05 3knl s LEU 174 Ca 0.33 -1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 3knl s LEU 174 Cb 0.21 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 3knl s LEU 174 CO 0.31 -0.49 0.13 -0.94 0.23 0.00 0.00 176.35 175.59 3knl s SER 175 N -3.79 0.14 -0.27 2.29 1.04 -1.16 -4.66 113.70 107.30 3knl s SER 175 Ca 0.38 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 3knl s SER 175 Cb 0.07 0.26 0.14 0.00 0.10 0.00 0.00 66.02 66.60 3knl s SER 175 CO 0.20 -0.55 0.38 -0.22 0.98 0.00 0.00 173.24 174.03 3knl s LEU 176 N -2.23 -0.67 -1.17 2.42 2.96 -1.26 -2.31 118.68 116.42 3knl s LEU 176 Ca -0.03 -0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.62 3knl s LEU 176 Cb -0.00 1.07 0.13 0.00 0.50 0.00 0.00 46.19 47.88 3knl s LEU 176 CO -0.05 -0.33 1.47 -0.62 -1.32 0.00 0.00 176.35 175.50 3knl s ASP 177 N 2.53 6.89 0.55 3.68 2.15 0.31 -4.85 116.67 127.93 3knl s ASP 177 Ca 0.11 -2.57 0.32 0.00 0.43 0.00 0.00 52.55 50.84 3knl s ASP 177 Cb -0.14 -2.46 1.48 0.00 -0.30 0.00 0.00 42.92 41.50 3knl s ASP 177 CO -0.23 -0.97 1.86 0.58 -0.17 0.00 0.00 175.17 176.24 3knl h VAL 178 N 5.27 0.48 0.09 1.11 2.07 -1.95 -2.50 116.25 120.82 3knl h VAL 178 Ca 0.32 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 3knl h VAL 178 Cb 0.91 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3knl h VAL 178 CO 1.30 0.00 -0.13 -0.33 0.02 0.00 0.00 177.57 178.43 3knl h GLU 179 N 0.00 -0.22 -0.77 1.57 5.08 -1.93 -2.86 114.58 115.46 3knl h GLU 179 Ca 0.42 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3knl h GLU 179 Cb 1.75 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3knl h GLU 179 CO -0.00 -0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.27 3knl n GLY 180 N -1.13 2.10 3.27 -3.84 0.00 -1.14 -4.95 105.19 99.50 3knl n GLY 180 Ca -0.03 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 3knl n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knl n MET 181 N 0.31 -1.99 -3.74 1.61 2.81 -0.97 -4.87 117.12 110.27 3knl n MET 181 Ca 0.13 1.61 -0.03 0.00 -1.81 0.00 0.00 57.70 57.60 3knl n MET 181 Cb 0.68 -3.71 -0.01 0.00 -0.71 0.00 0.00 33.22 29.46 3knl n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3knl s LYS 182 N -2.85 1.08 0.00 0.03 -2.85 -1.01 -3.25 119.74 110.90 3knl s LYS 182 Ca 0.26 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 3knl s LYS 182 Cb -0.04 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 3knl s LYS 182 CO 0.83 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 176.19 3knl n GLY 183 N -0.48 3.22 3.43 0.59 0.00 -0.37 0.11 105.19 111.69 3knl n GLY 183 Ca -0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 3knl n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knl s LYS 184 N 1.05 0.92 -0.76 1.61 1.02 -0.98 -2.52 119.74 120.09 3knl s LYS 184 Ca 0.00 0.16 -0.15 0.00 0.02 0.00 0.00 55.97 56.00 3knl s LYS 184 Cb 0.00 0.43 0.19 0.00 -0.52 0.00 0.00 37.83 37.93 3knl s LYS 184 CO 0.00 -0.27 0.72 0.12 -0.92 0.00 0.00 175.35 175.00 3knl s PHE 185 N -1.14 3.59 0.16 3.18 5.36 -1.10 -2.98 117.98 125.04 3knl s PHE 185 Ca -0.11 -1.77 -0.10 0.00 -0.96 0.00 0.00 56.93 53.99 3knl s PHE 185 Cb -0.02 -3.85 0.03 0.00 -0.34 0.00 0.00 43.02 38.84 3knl s PHE 185 CO 0.08 -1.03 1.59 -0.07 -1.46 0.00 0.00 175.22 174.32 3knl h LEU 186 N 8.24 0.99 -7.88 6.12 3.38 -1.75 -1.95 115.31 122.47 3knl h LEU 186 Ca 0.00 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.73 3knl h LEU 186 Cb 1.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3knl h LEU 186 CO 0.85 1.10 0.41 0.00 0.09 0.00 0.00 178.44 180.89 3knl s ARG 187 N -4.87 1.58 -0.01 1.13 1.70 -1.22 -4.61 118.95 112.65 3knl s ARG 187 Ca -0.12 -0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 53.89 3knl s ARG 187 Cb 0.12 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.95 3knl s ARG 187 CO 0.85 -0.73 1.26 -0.51 -1.08 0.00 0.00 175.30 175.10 3knl s LEU 188 N -3.08 4.31 0.01 -1.89 1.43 -1.26 -4.90 118.68 113.30 3knl s LEU 188 Ca 0.15 1.96 -0.35 0.00 -1.03 0.00 0.00 54.13 54.86 3knl s LEU 188 Cb -0.03 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.49 3knl s LEU 188 CO 0.06 -0.60 1.70 -0.81 0.23 0.00 0.00 176.35 176.93 3knl n PRO 189 N 4.94 1.99 -2.77 1.29 -0.04 -1.26 -4.92 135.00 134.23 3knl n PRO 189 Ca 0.11 0.72 -0.40 0.00 -0.04 0.00 0.00 63.50 63.89 3knl n PRO 189 Cb 0.45 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.35 3knl n PRO 189 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3knl s ASP 190 N 2.46 7.56 0.09 3.54 2.15 -1.26 -4.72 116.67 126.48 3knl s ASP 190 Ca 0.87 1.85 -0.08 0.00 0.43 0.00 0.00 52.55 55.61 3knl s ASP 190 Cb -0.74 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 39.36 3knl s ASP 190 CO 0.47 0.08 0.64 -1.14 -0.17 0.00 0.00 175.17 175.05 3knl n ARG 191 N 2.00 -0.11 0.09 4.34 3.00 -1.26 0.23 116.66 124.95 3knl n ARG 191 Ca -0.01 0.63 0.20 0.00 -0.00 0.00 0.00 57.85 58.67 3knl n ARG 191 Cb 0.48 -0.93 0.67 0.00 0.00 0.00 0.00 32.46 32.68 3knl n ARG 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3knl h GLU 192 N 0.00 0.00 -0.00 -0.14 4.57 -2.02 0.16 114.58 117.15 3knl h GLU 192 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3knl h GLU 192 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3knl h GLU 192 CO -0.40 0.00 -0.08 -0.25 -1.18 0.00 0.00 179.01 177.09 3knl n ASP 193 N -3.41 0.53 -4.08 1.04 8.00 0.63 -4.75 116.55 114.51 3knl n ASP 193 Ca 0.08 -0.73 -0.32 0.00 0.71 0.00 0.00 54.79 54.53 3knl n ASP 193 Cb 0.77 -0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.66 3knl n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3knl s LEU 194 N -2.36 2.70 -0.82 0.64 2.01 0.56 -4.93 118.68 116.48 3knl s LEU 194 Ca 0.32 -1.00 0.02 0.00 0.01 0.00 0.00 54.13 53.48 3knl s LEU 194 Cb 0.20 -1.46 0.28 0.00 0.01 0.00 0.00 46.19 45.22 3knl s LEU 194 CO 0.45 -0.10 1.06 0.00 1.01 0.00 0.00 176.35 178.76 3knl n ALA 195 N 4.55 4.56 -2.70 4.21 0.00 -1.26 -5.00 120.51 124.87 3knl n ALA 195 Ca -0.17 -4.79 -0.38 0.00 0.00 0.00 0.00 53.44 48.10 3knl n ALA 195 Cb 0.46 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 3knl n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3knl s LEU 196 N -2.66 4.22 0.00 0.00 1.02 -1.26 -4.90 118.68 115.10 3knl s LEU 196 Ca 0.37 0.70 0.00 0.00 0.02 0.00 0.00 54.13 55.22 3knl s LEU 196 Cb 0.11 -2.64 0.00 0.00 0.02 0.00 0.00 46.19 43.68 3knl s LEU 196 CO 0.03 -0.05 0.80 -0.81 0.02 0.00 0.00 176.35 176.34 3knl n PRO 197 N 4.08 0.00 -3.56 1.29 -0.04 -1.26 -4.57 135.00 130.95 3knl n PRO 197 Ca -0.07 -0.35 -0.07 0.00 -0.04 0.00 0.00 63.50 62.97 3knl n PRO 197 Cb 0.51 -1.79 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 3knl n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knl s VAL 198 N 4.17 -0.68 -0.83 0.52 1.01 -1.26 -4.96 120.40 118.37 3knl s VAL 198 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 3knl s VAL 198 Cb 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3knl s VAL 198 CO 0.00 0.02 1.48 0.21 0.00 0.00 0.00 175.10 176.81 3knl s ASN 199 N 2.63 6.04 0.37 3.32 2.47 -1.26 -4.84 114.94 123.66 3knl s ASN 199 Ca 0.03 -0.68 0.17 0.00 0.42 0.00 0.00 52.86 52.79 3knl s ASN 199 Cb -0.13 -2.56 1.10 0.00 -1.45 0.00 0.00 41.25 38.21 3knl s ASN 199 CO -0.14 -1.90 1.70 1.05 -3.72 0.00 0.00 177.10 174.09 3knl h GLU 200 N 10.78 0.36 -1.22 0.43 9.09 -1.93 -0.34 114.58 131.75 3knl h GLU 200 Ca -0.09 -0.02 0.35 0.00 0.05 0.00 0.00 59.36 59.66 3knl h GLU 200 Cb 1.05 -0.08 -0.05 0.00 -1.65 0.00 0.00 28.75 28.02 3knl h GLU 200 CO 1.31 0.24 0.94 1.96 0.05 0.00 0.00 179.01 183.51 3knl h GLN 201 N 0.37 0.00 -0.05 1.06 1.08 -1.95 1.41 115.11 117.03 3knl h GLN 201 Ca 0.69 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.68 3knl h GLN 201 Cb 1.66 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.09 3knl h GLN 201 CO -0.47 0.00 -0.83 -0.07 -0.95 0.00 0.00 178.83 176.52 3knl h LEU 202 N 0.00 0.53 -0.39 1.46 3.38 -1.43 -2.44 115.31 116.42 3knl h LEU 202 Ca 0.58 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3knl h LEU 202 Cb 2.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 43.02 3knl h LEU 202 CO -0.01 1.16 0.22 0.58 0.09 0.00 0.00 178.44 180.48 3knl h VAL 203 N 0.27 1.14 0.00 1.22 2.07 0.18 0.61 116.25 121.74 3knl h VAL 203 Ca -0.05 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3knl h VAL 203 Cb 1.43 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3knl h VAL 203 CO 0.14 0.15 0.00 -0.38 0.02 0.00 0.00 177.57 177.50 3knl n ILE 204 N -4.75 0.00 -0.31 4.57 2.08 -0.59 -2.40 119.36 117.96 3knl n ILE 204 Ca 0.00 0.99 0.29 0.00 0.56 0.00 0.00 62.75 64.59 3knl n ILE 204 Cb 0.07 -1.83 0.52 0.00 -0.75 0.00 0.00 39.64 37.65 3knl n ILE 204 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3knl n GLU 205 N -0.65 -0.05 0.20 0.38 1.02 -0.93 0.12 120.64 120.73 3knl n GLU 205 Ca 0.00 1.14 0.11 0.00 -0.02 0.00 0.00 57.16 58.39 3knl n GLU 205 Cb 0.00 -2.10 0.58 0.00 -0.02 0.00 0.00 31.44 29.90 3knl n GLU 205 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3knl h PHE 206 N 0.00 0.00 -2.80 -0.32 3.57 0.60 -3.29 116.94 114.71 3knl h PHE 206 Ca 0.73 0.00 -0.77 0.00 3.53 0.00 0.00 57.97 61.45 3knl h PHE 206 Cb 2.04 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 40.55 3knl h PHE 206 CO -0.01 0.00 0.96 0.66 -2.23 0.00 0.00 178.31 177.69 3knl n TYR 207 N -2.31 4.81 0.00 0.41 4.02 0.32 -3.41 117.16 120.99 3knl n TYR 207 Ca -0.01 -3.52 0.00 0.00 -0.01 0.00 0.00 57.90 54.35 3knl n TYR 207 Cb 0.18 -1.89 0.00 0.00 -0.02 0.00 0.00 39.34 37.61 3knl n TYR 207 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3knl n SER 208 N 3.89 0.00 0.00 7.72 7.64 -1.24 -5.08 113.62 126.55 3knl n SER 208 Ca 0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.19 3knl n SER 208 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3knl n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89