#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj n ARG 3 N 0.00 0.27 0.00 1.61 -4.01 -1.26 -4.77 116.66 108.50 3knj n ARG 3 Ca 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 3knj n ARG 3 Cb 0.00 -1.38 0.00 0.00 -3.04 0.00 0.00 32.46 28.04 3knj n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 3knj n TYR 4 N 1.91 0.00 -2.00 2.89 9.36 -1.26 -4.83 117.16 123.23 3knj n TYR 4 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3knj n TYR 4 Cb 0.14 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.84 3knj n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3knj n ILE 5 N 0.00 -9.69 0.00 2.97 5.41 -1.26 -5.08 119.36 111.71 3knj n ILE 5 Ca 0.00 2.06 0.00 0.00 1.00 0.00 0.00 62.75 65.81 3knj n ILE 5 Cb 0.00 -5.23 0.00 0.00 -0.71 0.00 0.00 39.64 33.70 3knj n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knj n GLY 6 N 1.20 3.53 0.20 7.39 0.00 -1.26 -5.10 105.19 111.16 3knj n GLY 6 Ca -0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 3knj n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knj n PRO 7 N -1.61 0.00 0.02 1.61 -0.02 -1.26 -4.91 135.00 128.84 3knj n PRO 7 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 3knj n PRO 7 Cb 0.00 -0.09 -0.00 0.00 -0.02 0.00 0.00 33.50 33.39 3knj n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3knj n VAL 8 N 0.09 1.05 -0.03 -1.45 0.31 -1.26 -4.78 118.33 112.26 3knj n VAL 8 Ca 0.01 0.32 -0.00 0.00 -0.01 0.00 0.00 64.34 64.66 3knj n VAL 8 Cb 0.00 -1.59 -0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3knj n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knj n ARG 10 N 2.11 2.51 0.04 0.00 0.63 -1.26 -4.47 116.66 116.22 3knj n ARG 10 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3knj n ARG 10 Cb 0.03 -0.83 -0.14 0.00 0.45 0.00 0.00 32.46 31.97 3knj n ARG 10 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 3knj h LEU 11 N 0.00 0.42 -1.40 6.15 -0.00 -0.94 -2.33 115.31 117.21 3knj h LEU 11 Ca 0.00 -0.72 0.46 0.00 -0.00 0.00 0.00 57.88 57.62 3knj h LEU 11 Cb 0.66 -0.14 -0.13 0.00 -0.00 0.00 0.00 40.66 41.05 3knj h LEU 11 CO 0.00 1.62 0.88 0.00 -0.00 0.00 0.00 178.44 180.94 3knj n ARG 13 N -4.72 0.00 0.00 0.00 1.74 -1.14 -3.88 116.66 108.66 3knj n ARG 13 Ca 0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3knj n ARG 13 Cb 1.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.95 3knj n ARG 13 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3knj n ARG 14 N 0.00 0.00 0.00 5.56 3.00 -0.89 0.25 116.66 124.58 3knj n ARG 14 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3knj n ARG 14 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.54 3knj n ARG 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3knj n GLU 15 N 0.00 0.05 0.00 -0.14 4.71 -1.16 -4.80 120.64 119.30 3knj n GLU 15 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 3knj n GLU 15 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 3knj n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3knj n GLY 16 N -1.02 1.78 3.30 0.62 0.00 0.68 -4.96 105.19 105.59 3knj n GLY 16 Ca 0.01 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3knj n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 17 N 0.00 0.56 -2.95 1.61 0.31 -1.26 -4.57 118.33 112.03 3knj n VAL 17 Ca 0.00 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 3knj n VAL 17 Cb 0.00 -0.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.72 3knj n VAL 17 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3knj s LYS 18 N -1.24 3.41 -0.07 5.55 2.20 -1.25 -4.43 119.74 123.90 3knj s LYS 18 Ca 0.60 -0.09 -0.09 0.00 -0.36 0.00 0.00 55.97 56.03 3knj s LYS 18 Cb -0.50 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 31.83 3knj s LYS 18 CO 0.63 -1.14 0.23 -0.51 -0.36 0.00 0.00 175.35 174.20 3knj s LEU 19 N 3.35 4.41 -0.98 5.43 1.02 -1.25 -5.04 118.68 125.62 3knj s LEU 19 Ca 0.31 0.61 -0.15 0.00 0.02 0.00 0.00 54.13 54.92 3knj s LEU 19 Cb -0.12 -2.27 0.19 0.00 0.02 0.00 0.00 46.19 44.01 3knj s LEU 19 CO 0.23 0.37 1.07 -0.31 0.02 0.00 0.00 176.35 177.73 3knj s TYR 20 N -1.07 3.56 -1.22 0.29 1.51 -1.26 -4.66 117.35 114.50 3knj s TYR 20 Ca 0.19 -1.91 0.14 0.00 -1.01 0.00 0.00 57.07 54.47 3knj s TYR 20 Cb -0.13 -4.08 0.38 0.00 -0.11 0.00 0.00 41.96 38.02 3knj s TYR 20 CO 0.08 -1.24 1.32 1.28 -1.11 0.00 0.00 175.55 175.88 3knj n LEU 21 N 5.01 3.16 0.00 -1.29 4.77 -1.26 -4.58 117.00 122.81 3knj n LEU 21 Ca 0.23 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 3knj n LEU 21 Cb 0.46 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3knj n LEU 21 CO 0.47 0.79 -0.43 0.29 -1.33 0.00 0.00 177.39 177.18 3knj n LYS 22 N 0.81 0.00 -0.34 3.23 5.02 -1.26 -4.75 118.16 120.87 3knj n LYS 22 Ca 0.15 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 3knj n LYS 22 Cb 0.47 -0.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.96 3knj n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knj n GLY 23 N 2.85 -2.93 5.00 0.72 0.00 -1.26 -4.60 105.19 104.97 3knj n GLY 23 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3knj n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knj n GLU 24 N -2.18 0.00 0.28 1.61 -0.58 -1.26 -3.50 120.64 115.01 3knj n GLU 24 Ca -0.01 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.59 3knj n GLU 24 Cb 0.14 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.94 3knj n GLU 24 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3knj h ARG 25 N 0.00 -0.73 0.00 3.49 2.43 -1.89 0.69 114.38 118.37 3knj h ARG 25 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3knj h ARG 25 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3knj h ARG 25 CO 0.00 -0.43 0.78 0.00 -1.51 0.00 0.00 179.97 178.81 3knj n TYR 27 N -2.51 0.53 -1.26 0.00 4.02 -0.98 -4.25 117.16 112.72 3knj n TYR 27 Ca -0.01 0.23 -0.40 0.00 -0.01 0.00 0.00 57.90 57.71 3knj n TYR 27 Cb 0.79 -0.59 -0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3knj n TYR 27 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3knj n SER 28 N -4.14 -2.95 -4.43 7.72 2.88 0.24 -4.48 113.62 108.45 3knj n SER 28 Ca -0.07 0.77 -0.18 0.00 -1.33 0.00 0.00 58.87 58.05 3knj n SER 28 Cb 0.28 -0.86 -0.12 0.00 -0.75 0.00 0.00 64.21 62.76 3knj n SER 28 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3knj n PRO 29 N 1.34 0.08 0.00 -1.46 -0.04 -1.26 -3.26 135.00 130.39 3knj n PRO 29 Ca 0.10 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 3knj n PRO 29 Cb 0.40 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.13 3knj n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3knj n LYS 30 N 8.07 0.00 -0.02 0.54 2.85 -1.26 -4.93 118.16 123.40 3knj n LYS 30 Ca 0.41 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.78 3knj n LYS 30 Cb 0.46 0.00 0.56 0.00 -0.65 0.00 0.00 35.03 35.41 3knj n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3knj n ALA 32 N -0.53 0.00 -0.03 0.00 0.00 -1.26 -4.76 120.51 113.93 3knj n ALA 32 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 3knj n ALA 32 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.48 3knj n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3knj h MET 33 N 1.16 -0.00 0.00 0.00 1.85 -1.86 0.18 114.93 116.27 3knj h MET 33 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3knj h MET 33 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3knj h MET 33 CO 0.00 0.59 0.04 1.49 -0.40 0.00 0.00 176.91 178.64 3knj h GLU 34 N -0.59 0.00 0.02 0.39 4.57 -1.92 -2.01 114.58 115.03 3knj h GLU 34 Ca -0.00 0.00 -0.39 0.00 -1.18 0.00 0.00 59.36 57.79 3knj h GLU 34 Cb 0.59 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.12 3knj h GLU 34 CO 0.00 0.00 -2.41 0.54 -1.18 0.00 0.00 179.01 175.96 3knj n ARG 35 N -2.30 0.66 -3.21 1.92 1.74 -0.99 -4.76 116.66 109.71 3knj n ARG 35 Ca -0.01 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 57.01 3knj n ARG 35 Cb 0.08 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 3knj n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knj n ARG 36 N -3.38 1.36 0.00 5.56 1.74 0.60 -4.98 116.66 117.56 3knj n ARG 36 Ca -0.45 -3.69 0.00 0.00 -0.77 0.00 0.00 57.85 52.94 3knj n ARG 36 Cb 0.99 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 3knj n ARG 36 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3knj n PRO 37 N 0.90 0.00 -4.33 5.56 -0.04 -0.79 -4.65 135.00 131.64 3knj n PRO 37 Ca 0.25 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 3knj n PRO 37 Cb 0.52 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 3knj n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3knj s TYR 38 N 0.30 1.62 0.83 0.54 -0.85 -1.26 -4.93 117.35 113.60 3knj s TYR 38 Ca 0.00 -0.65 -0.20 0.00 -0.52 0.00 0.00 57.07 55.70 3knj s TYR 38 Cb 0.00 -0.80 -0.14 0.00 0.38 0.00 0.00 41.96 41.40 3knj s TYR 38 CO 0.00 0.26 -1.11 -2.30 -1.52 0.00 0.00 175.55 170.88 3knj n PRO 39 N -0.36 0.00 -2.64 -3.49 -0.02 -1.26 -4.37 135.00 122.85 3knj n PRO 39 Ca -0.08 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.17 3knj n PRO 39 Cb 0.61 -0.96 0.09 0.00 -0.02 0.00 0.00 33.50 33.22 3knj n PRO 39 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3knj s PRO 40 N -1.92 1.88 1.08 0.52 0.04 -1.26 -4.70 135.00 130.64 3knj s PRO 40 Ca 0.25 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.18 3knj s PRO 40 Cb 0.08 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3knj s PRO 40 CO 0.47 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.65 3knj n GLY 41 N -2.69 -2.03 2.11 0.56 0.00 -1.26 -4.00 105.19 97.88 3knj n GLY 41 Ca 0.14 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 3knj n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3knj n GLN 42 N -0.10 2.83 0.00 1.61 7.27 -1.26 -4.00 117.38 123.74 3knj n GLN 42 Ca 0.00 -2.95 0.00 0.00 0.07 0.00 0.00 57.00 54.12 3knj n GLN 42 Cb 0.00 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.48 3knj n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3knj n HIS 43 N -0.69 0.00 -0.35 3.69 8.25 -1.26 -4.96 115.22 119.89 3knj n HIS 43 Ca 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.87 3knj n HIS 43 Cb 1.53 0.01 -0.08 0.00 1.12 0.00 0.00 29.99 32.57 3knj n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knj n GLY 44 N 0.00 -2.40 3.36 -1.41 0.00 -1.26 -3.69 105.19 99.79 3knj n GLY 44 Ca 0.00 1.04 -0.45 0.00 0.00 0.00 0.00 46.02 46.61 3knj n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3knj s GLN 45 N -5.28 3.21 -0.32 1.61 -2.07 -1.26 -4.50 119.66 111.06 3knj s GLN 45 Ca -0.10 -1.68 -0.07 0.00 -1.82 0.00 0.00 55.36 51.68 3knj s GLN 45 Cb 0.09 -4.38 0.19 0.00 -1.09 0.00 0.00 33.01 27.82 3knj s GLN 45 CO 0.52 -1.48 0.98 0.21 -1.32 0.00 0.00 175.29 174.20 3knj s LYS 46 N 1.97 0.25 0.00 9.60 2.20 -1.24 -5.09 119.74 127.42 3knj s LYS 46 Ca 0.14 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 3knj s LYS 46 Cb -0.20 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 3knj s LYS 46 CO 0.01 -0.40 0.00 -2.13 -0.36 0.00 0.00 175.35 172.46 3knj n ARG 47 N 4.51 0.00 -0.61 4.03 0.63 -1.26 -4.81 116.66 119.15 3knj n ARG 47 Ca 0.08 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.70 3knj n ARG 47 Cb 0.60 0.00 0.20 0.00 0.45 0.00 0.00 32.46 33.70 3knj n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knj n ALA 48 N 0.00 -1.86 -3.16 5.13 0.00 -1.26 -5.02 120.51 114.34 3knj n ALA 48 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 53.44 52.30 3knj n ALA 48 Cb 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 19.45 17.24 3knj n ALA 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3knj s ARG 49 N -4.41 3.32 -0.39 0.00 3.00 -1.26 -5.01 118.95 114.20 3knj s ARG 49 Ca 0.66 -0.71 -0.12 0.00 -1.00 0.00 0.00 55.73 54.56 3knj s ARG 49 Cb -0.23 -2.61 -0.09 0.00 0.00 0.00 0.00 34.95 32.03 3knj s ARG 49 CO 0.62 0.17 1.06 -2.13 0.00 0.00 0.00 175.30 175.02 3knj n ARG 50 N 3.64 0.00 -1.88 5.12 0.00 -1.26 -4.75 116.66 117.52 3knj n ARG 50 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.25 3knj n ARG 50 Cb 0.53 -0.59 -0.03 0.00 0.00 0.00 0.00 32.46 32.37 3knj n ARG 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3knj s PRO 51 N 3.54 4.19 0.61 -0.14 0.02 -1.26 -4.98 135.00 136.98 3knj s PRO 51 Ca 0.54 2.40 -0.19 0.00 0.02 0.00 0.00 61.00 63.77 3knj s PRO 51 Cb -0.50 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 30.62 3knj s PRO 51 CO 0.19 -0.70 1.31 -1.54 -0.33 0.00 0.00 177.00 175.93 3knj s SER 52 N 1.85 4.89 0.65 2.53 1.04 -1.26 -4.71 113.70 118.70 3knj s SER 52 Ca 0.73 2.65 0.17 0.00 0.48 0.00 0.00 55.95 59.98 3knj s SER 52 Cb -0.43 -2.62 0.92 0.00 0.10 0.00 0.00 66.02 63.98 3knj s SER 52 CO 0.32 -1.81 1.51 0.44 0.98 0.00 0.00 173.24 174.68 3knj h ASP 53 N 0.90 0.00 0.04 7.02 5.19 -2.01 0.34 116.42 127.91 3knj h ASP 53 Ca -0.51 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.73 3knj h ASP 53 Cb 1.32 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.85 3knj h ASP 53 CO 0.55 0.00 -0.68 0.22 -3.12 0.00 0.00 179.24 176.21 3knj h TYR 54 N 0.00 0.60 -0.76 4.55 3.20 -2.00 -3.22 116.97 119.34 3knj h TYR 54 Ca 0.00 -0.36 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 3knj h TYR 54 Cb 1.23 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 3knj h TYR 54 CO 0.00 1.20 0.39 0.00 -1.64 0.00 0.00 178.16 178.11 3knj h ALA 55 N 0.26 0.98 -0.28 1.82 0.00 -0.65 0.17 119.26 121.56 3knj h ALA 55 Ca -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3knj h ALA 55 Cb 1.42 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 3knj h ALA 55 CO 0.13 0.52 -0.51 0.28 0.00 0.00 0.00 179.25 179.67 3knj h VAL 56 N 1.06 0.04 -0.64 0.00 2.07 -1.55 0.78 116.25 118.01 3knj h VAL 56 Ca 0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.72 3knj h VAL 56 Cb 0.08 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 3knj h VAL 56 CO -0.04 0.00 0.13 0.03 0.02 0.00 0.00 177.57 177.71 3knj h ARG 57 N -0.46 1.03 0.51 1.57 3.08 -1.51 -1.68 114.38 116.92 3knj h ARG 57 Ca 0.07 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3knj h ARG 57 Cb 0.63 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3knj h ARG 57 CO -0.51 0.93 -0.28 1.25 -1.07 0.00 0.00 179.97 180.29 3knj h LEU 58 N 0.98 -0.68 -0.96 3.04 7.12 0.54 -2.22 115.31 123.13 3knj h LEU 58 Ca 0.20 0.03 0.11 0.00 0.13 0.00 0.00 57.88 58.36 3knj h LEU 58 Cb 0.38 0.19 -0.08 0.00 -0.53 0.00 0.00 40.66 40.62 3knj h LEU 58 CO 0.01 -0.45 0.59 0.03 -0.13 0.00 0.00 178.44 178.48 3knj h ARG 59 N -0.74 0.91 0.54 1.25 2.47 0.69 0.04 114.38 119.54 3knj h ARG 59 Ca -0.06 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 3knj h ARG 59 Cb 0.58 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3knj h ARG 59 CO 0.09 0.60 -0.26 1.49 0.56 0.00 0.00 179.97 182.45 3knj h GLU 60 N 0.94 -0.70 -0.41 0.04 4.57 -1.21 0.70 114.58 118.51 3knj h GLU 60 Ca 0.47 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.78 3knj h GLU 60 Cb 0.46 0.16 -0.09 0.00 -0.16 0.00 0.00 28.75 29.12 3knj h GLU 60 CO -0.26 -0.39 -0.39 -0.22 -1.18 0.00 0.00 179.01 176.56 3knj h LYS 61 N -1.01 -0.29 -0.74 1.92 3.11 -1.20 1.40 116.57 119.76 3knj h LYS 61 Ca -0.07 0.02 0.15 0.00 -2.81 0.00 0.00 60.65 57.93 3knj h LYS 61 Cb 0.63 0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.87 3knj h LYS 61 CO 0.12 -0.19 0.50 1.96 -2.81 0.00 0.00 179.45 179.03 3knj h GLN 62 N -0.30 0.40 0.00 1.90 1.08 -0.90 1.25 115.11 118.55 3knj h GLN 62 Ca 0.15 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3knj h GLN 62 Cb 0.57 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3knj h GLN 62 CO -0.57 0.26 0.00 1.63 -0.95 0.00 0.00 178.83 179.20 3knj n LYS 63 N -4.48 0.00 -0.29 1.46 5.02 0.44 -0.16 118.16 120.15 3knj n LYS 63 Ca 0.14 0.31 -0.11 0.00 -2.02 0.00 0.00 58.31 56.62 3knj n LYS 63 Cb 0.52 -1.26 -0.09 0.00 -0.02 0.00 0.00 35.03 34.18 3knj n LYS 63 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3knj h LEU 64 N 0.00 -1.94 -0.38 -0.35 5.85 0.35 0.55 115.31 119.38 3knj h LEU 64 Ca 0.00 0.28 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3knj h LEU 64 Cb 0.00 0.84 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 3knj h LEU 64 CO 0.00 -0.28 -0.33 -0.09 -0.34 0.00 0.00 178.44 177.40 3knj h ARG 65 N -0.15 -0.13 -1.08 1.25 2.43 0.15 0.41 114.38 117.26 3knj h ARG 65 Ca 0.12 0.01 0.30 0.00 -0.81 0.00 0.00 59.98 59.60 3knj h ARG 65 Cb 0.46 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.97 3knj h ARG 65 CO -0.76 -0.08 0.74 0.00 -1.51 0.00 0.00 179.97 178.36 3knj h ARG 66 N -0.13 0.17 -0.55 0.20 3.08 0.15 0.17 114.38 117.47 3knj h ARG 66 Ca 0.06 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3knj h ARG 66 Cb 0.30 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3knj h ARG 66 CO -0.43 0.11 0.36 0.82 -1.07 0.00 0.00 179.97 179.77 3knj h ILE 67 N 0.17 1.05 -0.60 2.04 2.04 0.16 -1.55 117.51 120.82 3knj h ILE 67 Ca 0.56 -0.21 -0.19 0.00 1.00 0.00 0.00 64.86 66.02 3knj h ILE 67 Cb 1.86 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 38.21 3knj h ILE 67 CO -0.14 0.11 0.19 -1.22 0.00 0.00 0.00 178.15 177.09 3knj n TYR 68 N -4.47 2.00 -1.73 1.37 4.02 0.59 -4.96 117.16 113.98 3knj n TYR 68 Ca 0.07 -1.24 0.00 0.00 -0.01 0.00 0.00 57.90 56.72 3knj n TYR 68 Cb 0.16 -0.60 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 3knj n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knj n GLY 69 N -0.42 0.00 3.60 2.72 0.00 -0.58 -4.81 105.19 105.69 3knj n GLY 69 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 3knj n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3knj s ILE 70 N -2.01 4.13 0.35 -0.61 2.07 -1.26 -4.81 121.20 119.07 3knj s ILE 70 Ca 0.00 -0.29 -0.25 0.00 -1.41 0.00 0.00 60.65 58.69 3knj s ILE 70 Cb 0.00 -2.77 -0.13 0.00 0.13 0.00 0.00 42.46 39.69 3knj s ILE 70 CO 0.00 0.55 0.82 -1.54 -1.91 0.00 0.00 174.94 172.85 3knj n SER 71 N 2.83 0.36 -0.11 4.50 3.41 -1.26 -4.59 113.62 118.76 3knj n SER 71 Ca -0.18 1.06 -0.05 0.00 -0.26 0.00 0.00 58.87 59.43 3knj n SER 71 Cb 0.53 -1.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.27 3knj n SER 71 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3knj h GLU 72 N 1.41 -0.07 -0.73 4.33 4.57 -1.97 -0.88 114.58 121.25 3knj h GLU 72 Ca -0.40 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.93 3knj h GLU 72 Cb 1.37 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.83 3knj h GLU 72 CO 0.56 -0.04 -0.21 -0.09 -1.18 0.00 0.00 179.01 178.05 3knj h ARG 73 N -0.07 -0.02 0.41 1.92 9.65 -1.99 0.54 114.38 124.82 3knj h ARG 73 Ca 0.18 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 3knj h ARG 73 Cb 0.35 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 3knj h ARG 73 CO -0.42 -0.02 -0.20 1.96 2.80 0.00 0.00 179.97 184.10 3knj h GLN 74 N -0.03 -0.53 -0.50 0.20 4.20 -1.72 -0.68 115.11 116.06 3knj h GLN 74 Ca 0.34 0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.15 3knj h GLN 74 Cb 0.55 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.35 3knj h GLN 74 CO -0.76 -0.31 -0.50 0.35 -0.67 0.00 0.00 178.83 176.94 3knj h PHE 75 N -0.63 -1.51 0.00 2.96 3.57 0.68 0.33 116.94 122.34 3knj h PHE 75 Ca -0.06 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3knj h PHE 75 Cb 0.47 0.72 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3knj h PHE 75 CO -0.03 -0.46 0.00 -2.13 -2.23 0.00 0.00 178.31 173.47 3knj n ARG 76 N -5.39 0.00 -0.13 1.11 3.00 0.16 -1.23 116.66 114.18 3knj n ARG 76 Ca -0.01 0.14 -0.04 0.00 -0.00 0.00 0.00 57.85 57.94 3knj n ARG 76 Cb 0.34 -0.87 -0.03 0.00 0.00 0.00 0.00 32.46 31.90 3knj n ARG 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3knj n ASN 77 N -0.52 -0.34 -0.29 6.15 5.03 -0.27 0.36 115.26 125.38 3knj n ASN 77 Ca 0.00 0.67 -0.01 0.00 0.87 0.00 0.00 54.58 56.11 3knj n ASN 77 Cb 0.00 -0.13 0.05 0.00 -1.02 0.00 0.00 39.78 38.69 3knj n ASN 77 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3knj h LEU 78 N 0.00 -1.11 0.00 3.41 3.38 -0.90 0.12 115.31 120.21 3knj h LEU 78 Ca 0.05 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3knj h LEU 78 Cb 0.13 0.61 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3knj h LEU 78 CO -0.30 -0.29 0.00 0.33 0.09 0.00 0.00 178.44 178.27 3knj n PHE 79 N -5.48 0.00 -0.10 1.13 7.35 1.12 -1.74 117.46 119.74 3knj n PHE 79 Ca 0.09 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.80 3knj n PHE 79 Cb 0.39 -0.40 0.04 0.00 0.35 0.00 0.00 39.48 39.87 3knj n PHE 79 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3knj n GLU 80 N -2.51 -0.02 -0.33 -4.13 -0.58 0.40 0.28 120.64 113.75 3knj n GLU 80 Ca 0.00 0.42 0.21 0.00 -0.42 0.00 0.00 57.16 57.37 3knj n GLU 80 Cb 0.00 -0.63 0.43 0.00 -0.57 0.00 0.00 31.44 30.68 3knj n GLU 80 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3knj h GLU 81 N 0.00 0.37 0.30 3.49 4.81 -1.11 -1.33 114.58 121.11 3knj h GLU 81 Ca 0.13 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3knj h GLU 81 Cb 0.22 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3knj h GLU 81 CO -0.27 0.24 -0.41 0.00 -0.73 0.00 0.00 179.01 177.84 3knj h ALA 82 N 1.81 -1.02 -0.83 2.92 0.00 0.40 0.22 119.26 122.76 3knj h ALA 82 Ca 0.69 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.68 3knj h ALA 82 Cb 1.51 0.69 -0.14 0.00 0.00 0.00 0.00 17.79 19.85 3knj h ALA 82 CO -0.58 -1.07 0.11 0.77 0.00 0.00 0.00 179.25 178.48 3knj h SER 83 N -0.73 -0.21 0.30 0.00 0.02 -1.36 -1.62 113.55 109.95 3knj h SER 83 Ca -0.04 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3knj h SER 83 Cb 0.66 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3knj h SER 83 CO -0.11 -0.18 -0.14 0.11 -1.14 0.00 0.00 176.83 175.37 3knj h LYS 84 N 0.14 -0.38 -5.32 3.45 1.79 -1.44 -3.41 116.57 111.41 3knj h LYS 84 Ca 0.49 0.03 -0.37 0.00 -2.18 0.00 0.00 60.65 58.61 3knj h LYS 84 Cb 0.93 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 3knj h LYS 84 CO -0.68 -0.07 1.41 1.63 -1.08 0.00 0.00 179.45 180.66 3knj n LYS 85 N -5.05 0.53 -1.68 3.15 4.76 0.75 -4.88 118.16 115.74 3knj n LYS 85 Ca -0.08 -0.17 -0.40 0.00 -2.87 0.00 0.00 58.31 54.80 3knj n LYS 85 Cb 0.25 -2.66 0.03 0.00 -1.84 0.00 0.00 35.03 30.81 3knj n LYS 85 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3knj n LYS 86 N 8.39 1.57 0.00 1.97 4.76 -1.26 -4.75 118.16 128.83 3knj n LYS 86 Ca 0.51 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 3knj n LYS 86 Cb 0.33 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.18 3knj n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knj n GLY 87 N 0.95 4.04 2.58 0.72 0.00 -1.26 -4.99 105.19 107.23 3knj n GLY 87 Ca 0.10 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 3knj n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 88 N 0.00 0.00 0.18 1.61 0.31 -1.26 -4.68 118.33 114.48 3knj n VAL 88 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 3knj n VAL 88 Cb 0.00 -0.38 0.34 0.00 -0.91 0.00 0.00 33.84 32.89 3knj n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3knj h THR 89 N 5.78 0.00 0.17 2.52 2.02 -1.86 -2.82 112.91 118.72 3knj h THR 89 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3knj h THR 89 Cb 1.02 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3knj h THR 89 CO 0.97 0.00 -0.08 1.23 0.37 0.00 0.00 175.52 178.01 3knj h GLY 90 N 0.00 -0.24 0.00 2.16 0.00 -1.97 -3.23 103.07 99.80 3knj h GLY 90 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3knj h GLY 90 CO 0.00 -0.09 0.00 1.44 0.00 0.00 0.00 176.54 177.89 3knj n SER 91 N -2.83 0.00 -0.16 0.19 7.64 -1.07 -3.43 113.62 113.96 3knj n SER 91 Ca -0.03 0.94 -0.04 0.00 1.01 0.00 0.00 58.87 60.75 3knj n SER 91 Cb 0.09 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 3knj n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3knj n VAL 92 N -2.03 -0.26 -0.34 0.44 0.31 -1.23 0.20 118.33 115.42 3knj n VAL 92 Ca 0.00 0.94 -0.09 0.00 -0.01 0.00 0.00 64.34 65.18 3knj n VAL 92 Cb 0.00 -1.16 -0.08 0.00 -0.91 0.00 0.00 33.84 31.69 3knj n VAL 92 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3knj n PHE 93 N -4.49 -0.36 -0.30 3.52 -0.00 -1.22 0.35 117.46 114.96 3knj n PHE 93 Ca 0.01 1.02 0.09 0.00 -0.00 0.00 0.00 57.45 58.57 3knj n PHE 93 Cb 0.10 -0.56 0.31 0.00 -0.00 0.00 0.00 39.48 39.33 3knj n PHE 93 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3knj h LEU 94 N 0.00 0.78 0.90 -2.13 3.38 0.23 0.51 115.31 118.98 3knj h LEU 94 Ca 0.13 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3knj h LEU 94 Cb 0.34 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3knj h LEU 94 CO -0.77 0.41 -0.44 1.23 0.09 0.00 0.00 178.44 178.96 3knj h GLY 95 N 0.84 -1.28 0.36 0.83 0.00 0.83 0.43 103.07 105.07 3knj h GLY 95 Ca 0.46 0.48 0.16 0.00 0.00 0.00 0.00 47.33 48.43 3knj h GLY 95 CO -0.22 -0.46 0.60 1.41 0.00 0.00 0.00 176.54 177.87 3knj h LEU 96 N -1.22 0.73 0.06 3.11 4.07 0.10 -1.07 115.31 121.10 3knj h LEU 96 Ca -0.12 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 3knj h LEU 96 Cb 0.94 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.60 3knj h LEU 96 CO 0.20 0.33 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.79 3knj h LEU 97 N 0.75 -0.07 -1.34 1.67 3.38 -0.38 -3.00 115.31 116.31 3knj h LEU 97 Ca 0.50 0.00 0.42 0.00 0.09 0.00 0.00 57.88 58.90 3knj h LEU 97 Cb 0.78 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 3knj h LEU 97 CO -0.27 -0.05 0.80 -0.08 0.09 0.00 0.00 178.44 178.93 3knj h GLU 98 N -0.09 0.10 0.00 1.13 4.57 0.08 0.85 114.58 121.21 3knj h GLU 98 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3knj h GLU 98 Cb 0.07 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3knj h GLU 98 CO 0.01 0.07 0.00 0.43 -1.18 0.00 0.00 179.01 178.34 3knj n SER 99 N -4.76 0.00 -4.33 1.04 7.64 -0.43 -4.08 113.62 108.70 3knj n SER 99 Ca 0.36 -0.35 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 3knj n SER 99 Cb 1.37 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.53 3knj n SER 99 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3knj n ARG 100 N -0.90 2.17 0.00 1.43 1.74 0.29 -0.79 116.66 120.61 3knj n ARG 100 Ca 0.06 -2.61 0.00 0.00 -0.77 0.00 0.00 57.85 54.52 3knj n ARG 100 Cb 0.03 -3.48 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 3knj n ARG 100 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3knj n LEU 101 N 10.63 0.00 -0.17 0.55 7.94 -0.87 0.24 117.00 135.31 3knj n LEU 101 Ca 0.48 0.00 0.24 0.00 -1.11 0.00 0.00 56.01 55.62 3knj n LEU 101 Cb 0.45 0.00 0.65 0.00 0.53 0.00 0.00 43.42 45.04 3knj n LEU 101 CO 0.79 0.00 1.24 -2.24 -1.11 0.00 0.00 177.39 176.07 3knj h ASP 102 N 0.00 0.14 0.01 1.96 2.03 -1.75 0.18 116.42 118.99 3knj h ASP 102 Ca 0.00 0.01 -0.11 0.00 -0.73 0.00 0.00 57.03 56.21 3knj h ASP 102 Cb 0.00 -0.01 0.01 0.00 -0.83 0.00 0.00 39.33 38.50 3knj h ASP 102 CO 0.00 0.06 -0.43 -1.13 -1.03 0.00 0.00 179.24 176.70 3knj h ASN 103 N 0.14 0.36 -0.58 4.15 -1.24 0.28 -3.03 115.58 115.65 3knj h ASN 103 Ca 0.41 -0.80 0.11 0.00 0.71 0.00 0.00 56.30 56.74 3knj h ASN 103 Cb 1.42 -0.11 -0.09 0.00 0.73 0.00 0.00 38.32 40.27 3knj h ASN 103 CO -0.06 1.11 0.08 0.58 -1.29 0.00 0.00 177.43 177.85 3knj h VAL 104 N -0.36 0.61 -0.67 2.57 2.07 -0.85 0.64 116.25 120.27 3knj h VAL 104 Ca -0.06 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.56 3knj h VAL 104 Cb 1.19 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3knj h VAL 104 CO 0.08 0.04 0.47 0.58 0.02 0.00 0.00 177.57 178.76 3knj h VAL 105 N 0.21 0.74 0.29 2.57 2.07 -0.80 0.25 116.25 121.58 3knj h VAL 105 Ca 0.30 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 3knj h VAL 105 Cb 0.46 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3knj h VAL 105 CO -0.42 0.03 -0.14 0.22 0.02 0.00 0.00 177.57 177.28 3knj h TYR 106 N 0.19 -0.37 -0.55 1.57 3.20 0.26 -2.87 116.97 118.41 3knj h TYR 106 Ca 0.33 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.31 3knj h TYR 106 Cb 1.02 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 3knj h TYR 106 CO -0.00 -0.12 0.38 0.00 -1.64 0.00 0.00 178.16 176.78 3knj h ARG 107 N -1.05 0.19 -0.34 1.82 2.47 -0.17 -0.28 114.38 117.03 3knj h ARG 107 Ca -0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3knj h ARG 107 Cb 0.41 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3knj h ARG 107 CO 0.07 0.12 0.00 1.28 0.56 0.00 0.00 179.97 182.00 3knj n LEU 108 N -4.43 0.39 0.00 3.04 4.32 0.03 -4.82 117.00 115.52 3knj n LEU 108 Ca 0.10 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 3knj n LEU 108 Cb 0.48 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 3knj n LEU 108 CO 0.35 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 3knj n GLY 109 N 0.35 2.88 0.00 -0.72 0.00 -0.11 -4.95 105.19 102.64 3knj n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knj n GLY 109 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knj n PHE 110 N -2.00 0.00 -1.38 1.61 3.01 -1.09 -4.54 117.46 113.07 3knj n PHE 110 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 3knj n PHE 110 Cb 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.55 3knj n PHE 110 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knj s ALA 111 N -2.54 2.42 -0.14 4.37 0.00 -1.22 -4.55 121.76 120.10 3knj s ALA 111 Ca 0.00 0.19 0.19 0.00 0.00 0.00 0.00 51.96 52.34 3knj s ALA 111 Cb 0.00 -3.23 -0.15 0.00 0.00 0.00 0.00 23.12 19.73 3knj s ALA 111 CO 0.00 -1.55 0.73 1.33 0.00 0.00 0.00 175.76 176.27 3knj n VAL 112 N -3.37 0.83 -3.82 0.00 0.24 -1.26 -4.74 118.33 106.21 3knj n VAL 112 Ca 0.08 -0.63 -0.17 0.00 -2.04 0.00 0.00 64.34 61.58 3knj n VAL 112 Cb 0.53 -0.46 -0.16 0.00 -1.47 0.00 0.00 33.84 32.28 3knj n VAL 112 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3knj s SER 113 N -5.39 0.39 0.28 -1.34 1.04 -1.26 -4.59 113.70 102.83 3knj s SER 113 Ca -0.04 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.47 3knj s SER 113 Cb 0.10 -0.15 0.80 0.00 0.10 0.00 0.00 66.02 66.87 3knj s SER 113 CO 0.83 -0.13 1.35 0.54 0.98 0.00 0.00 173.24 176.81 3knj n ARG 114 N 4.33 -0.06 -0.28 4.02 1.74 -1.26 0.16 116.66 125.30 3knj n ARG 114 Ca -0.24 1.26 0.07 0.00 -0.77 0.00 0.00 57.85 58.18 3knj n ARG 114 Cb 0.50 -2.08 0.22 0.00 -1.02 0.00 0.00 32.46 30.09 3knj n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knj h ARG 115 N 0.00 0.46 0.00 5.56 2.47 -1.95 1.21 114.38 122.12 3knj h ARG 115 Ca 0.58 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 59.21 3knj h ARG 115 Cb 1.32 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 3knj h ARG 115 CO -0.77 0.30 -0.33 0.37 0.56 0.00 0.00 179.97 180.10 3knj h GLN 116 N 0.47 0.00 -0.55 0.04 4.15 0.11 -3.18 115.11 116.15 3knj h GLN 116 Ca 0.46 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.76 3knj h GLN 116 Cb 0.73 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 3knj h GLN 116 CO -0.43 0.33 -0.10 0.00 -1.93 0.00 0.00 178.83 176.70 3knj h ALA 117 N 1.67 0.75 0.38 3.38 0.00 0.23 0.16 119.26 125.83 3knj h ALA 117 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3knj h ALA 117 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3knj h ALA 117 CO 0.04 0.67 -0.21 -0.09 0.00 0.00 0.00 179.25 179.66 3knj h ARG 118 N 0.92 -0.52 -0.83 0.00 2.43 -1.16 -2.64 114.38 112.58 3knj h ARG 118 Ca 0.14 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.49 3knj h ARG 118 Cb 0.67 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 30.20 3knj h ARG 118 CO 0.05 -0.35 -0.33 1.96 -1.51 0.00 0.00 179.97 179.79 3knj h GLN 119 N -0.54 -0.05 -0.85 0.20 4.20 -1.59 -0.75 115.11 115.73 3knj h GLN 119 Ca -0.05 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.78 3knj h GLN 119 Cb 0.42 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.08 3knj h GLN 119 CO 0.07 -0.04 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.67 3knj h LEU 120 N -0.06 -1.60 0.55 1.46 3.38 -0.49 -0.61 115.31 117.94 3knj h LEU 120 Ca 0.32 0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.56 3knj h LEU 120 Cb 0.59 0.77 0.01 0.00 0.09 0.00 0.00 40.66 42.11 3knj h LEU 120 CO -0.86 -0.29 -0.26 0.58 0.09 0.00 0.00 178.44 177.70 3knj h VAL 121 N -0.08 0.00 -1.16 1.22 2.07 -0.83 -3.03 116.25 114.44 3knj h VAL 121 Ca 0.25 -0.34 0.40 0.00 0.82 0.00 0.00 66.70 67.82 3knj h VAL 121 Cb 0.54 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.17 3knj h VAL 121 CO -0.87 0.00 0.71 -0.09 0.02 0.00 0.00 177.57 177.34 3knj h ARG 122 N -1.08 0.14 0.00 1.57 9.65 -0.98 0.84 114.38 124.52 3knj h ARG 122 Ca -0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3knj h ARG 122 Cb 0.56 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 3knj h ARG 122 CO 0.12 0.09 0.00 0.72 2.80 0.00 0.00 179.97 183.70 3knj n HIS 123 N -4.89 0.00 -0.46 2.20 8.25 -0.26 -4.87 115.22 115.19 3knj n HIS 123 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 3knj n HIS 123 Cb 1.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.38 3knj n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knj n GLY 124 N 0.62 1.10 0.23 -1.41 0.00 0.29 -4.95 105.19 101.07 3knj n GLY 124 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3knj n GLY 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3knj h HIS 125 N 0.00 0.97 -3.85 1.61 3.86 -1.65 -3.45 115.15 112.64 3knj h HIS 125 Ca 0.00 -0.33 -0.50 0.00 -1.16 0.00 0.00 60.37 58.38 3knj h HIS 125 Cb 0.00 -0.19 0.03 0.00 1.06 0.00 0.00 27.41 28.31 3knj h HIS 125 CO 0.00 1.12 0.49 0.42 0.86 0.00 0.00 177.93 180.82 3knj s ILE 126 N -4.19 3.39 0.05 2.45 -1.09 -1.25 -0.14 121.20 120.42 3knj s ILE 126 Ca -0.12 1.34 0.01 0.00 -2.23 0.00 0.00 60.65 59.66 3knj s ILE 126 Cb 0.09 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3knj s ILE 126 CO 0.86 0.27 -0.06 0.42 -1.23 0.00 0.00 174.94 175.20 3knj s THR 127 N -1.24 0.42 -0.10 2.92 -4.23 -0.53 -3.47 115.64 109.41 3knj s THR 127 Ca 0.48 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 3knj s THR 127 Cb -0.32 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 72.71 3knj s THR 127 CO 0.41 -0.58 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.01 3knj s VAL 128 N -2.11 1.85 -0.96 2.29 1.01 -1.19 -2.13 120.40 119.15 3knj s VAL 128 Ca -0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 3knj s VAL 128 Cb -0.05 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3knj s VAL 128 CO -0.02 0.51 0.01 0.59 0.00 0.00 0.00 175.10 176.19 3knj n ASN 129 N 3.64 0.55 0.00 3.32 3.02 -0.57 -3.53 115.26 121.68 3knj n ASN 129 Ca -0.20 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3knj n ASN 129 Cb 0.53 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3knj n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knj n GLY 130 N -1.96 0.98 0.03 7.41 0.00 -1.26 -4.99 105.19 105.40 3knj n GLY 130 Ca -0.20 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.67 3knj n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knj n ARG 131 N 2.48 0.00 -0.60 1.61 3.00 -1.23 -4.80 116.66 117.12 3knj n ARG 131 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.55 3knj n ARG 131 Cb 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 32.46 32.67 3knj n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3knj s ARG 132 N 0.02 -0.18 -0.07 5.56 1.70 -1.26 -3.16 118.95 121.55 3knj s ARG 132 Ca 0.01 1.13 -0.03 0.00 -0.47 0.00 0.00 55.73 56.37 3knj s ARG 132 Cb -0.01 -1.62 0.04 0.00 -0.57 0.00 0.00 34.95 32.79 3knj s ARG 132 CO 0.01 -3.31 0.14 0.08 -1.08 0.00 0.00 175.30 171.13 3knj s VAL 133 N -2.53 -0.20 -2.62 4.99 1.01 -1.23 -4.72 120.40 115.12 3knj s VAL 133 Ca 0.68 0.33 0.22 0.00 0.00 0.00 0.00 61.98 63.21 3knj s VAL 133 Cb -0.24 -0.26 0.23 0.00 0.00 0.00 0.00 36.38 36.11 3knj s VAL 133 CO 0.62 0.14 1.23 -0.90 0.00 0.00 0.00 175.10 176.19 3knj n ASP 134 N 5.08 2.95 -4.67 3.32 3.85 -1.26 -4.64 116.55 121.17 3knj n ASP 134 Ca -0.09 -1.92 -0.40 0.00 -0.71 0.00 0.00 54.79 51.67 3knj n ASP 134 Cb 0.50 -0.06 -0.06 0.00 -1.35 0.00 0.00 41.12 40.15 3knj n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3knj s LEU 135 N -1.72 4.17 0.62 -2.12 2.01 -1.26 -2.98 118.68 117.40 3knj s LEU 135 Ca 0.28 0.80 0.39 0.00 0.01 0.00 0.00 54.13 55.60 3knj s LEU 135 Cb 0.19 -2.82 2.09 0.00 0.01 0.00 0.00 46.19 45.66 3knj s LEU 135 CO 0.28 -0.21 2.28 -0.65 1.01 0.00 0.00 176.35 179.06 3knj h PRO 136 N 7.36 0.00 0.13 1.29 0.11 -1.93 -2.93 132.00 136.03 3knj h PRO 136 Ca -0.34 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.47 3knj h PRO 136 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3knj h PRO 136 CO 0.76 0.01 -1.53 0.77 -0.21 0.00 0.00 178.00 177.80 3knj h SER 137 N 0.00 0.43 0.00 -2.05 0.02 -1.92 -2.82 113.55 107.21 3knj h SER 137 Ca -0.00 -0.58 -0.20 0.00 -0.84 0.00 0.00 61.79 60.17 3knj h SER 137 Cb 0.09 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3knj h SER 137 CO 0.00 1.48 0.61 0.00 -1.14 0.00 0.00 176.83 177.79 3knj n TYR 138 N -3.48 0.24 -1.92 3.45 -0.00 -1.11 -4.29 117.16 110.05 3knj n TYR 138 Ca -0.17 0.16 -0.43 0.00 -0.00 0.00 0.00 57.90 57.46 3knj n TYR 138 Cb 1.05 -0.86 -0.03 0.00 -0.00 0.00 0.00 39.34 39.50 3knj n TYR 138 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 3knj s ARG 139 N 3.10 3.36 -0.14 2.98 3.52 -1.26 -2.05 118.95 128.46 3knj s ARG 139 Ca 0.48 1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 57.39 3knj s ARG 139 Cb -0.47 -4.21 -0.01 0.00 -1.56 0.00 0.00 34.95 28.69 3knj s ARG 139 CO 0.19 -1.82 1.14 0.08 -0.81 0.00 0.00 175.30 174.08 3knj s VAL 140 N 6.93 4.47 0.55 7.11 1.01 0.03 -4.92 120.40 135.58 3knj s VAL 140 Ca 0.83 1.77 -0.06 0.00 0.00 0.00 0.00 61.98 64.52 3knj s VAL 140 Cb -0.25 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.11 3knj s VAL 140 CO 0.34 -0.09 0.76 0.54 0.00 0.00 0.00 175.10 176.65 3knj n ARG 141 N 5.88 -0.43 -2.94 2.72 1.74 -1.26 -4.80 116.66 117.56 3knj n ARG 141 Ca 0.12 -1.47 -0.40 0.00 -0.77 0.00 0.00 57.85 55.32 3knj n ARG 141 Cb 0.46 -0.69 -0.05 0.00 -1.02 0.00 0.00 32.46 31.17 3knj n ARG 141 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3knj s PRO 142 N -4.54 4.50 0.00 5.56 0.02 -1.26 -3.88 135.00 135.40 3knj s PRO 142 Ca 0.45 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.57 3knj s PRO 142 Cb -0.02 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3knj s PRO 142 CO 0.31 0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.56 3knj n GLY 143 N 2.66 2.36 3.60 0.52 0.00 0.26 -4.97 105.19 109.61 3knj n GLY 143 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3knj n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knj n ASP 144 N 0.00 1.31 -4.63 1.61 9.92 -1.25 -4.62 116.55 118.88 3knj n ASP 144 Ca 0.00 1.14 -0.39 0.00 -0.53 0.00 0.00 54.79 55.02 3knj n ASP 144 Cb 0.00 -1.31 -0.08 0.00 -0.64 0.00 0.00 41.12 39.09 3knj n ASP 144 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3knj s GLU 145 N -1.66 4.07 0.07 -1.24 2.02 -1.26 -2.59 118.70 118.11 3knj s GLU 145 Ca 0.59 0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.74 3knj s GLU 145 Cb -0.66 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 3knj s GLU 145 CO 0.60 -0.19 -0.03 0.42 0.02 0.00 0.00 175.26 176.07 3knj s ILE 146 N 1.81 3.83 0.09 -1.63 1.09 -0.70 -1.52 121.20 124.18 3knj s ILE 146 Ca 0.17 -0.97 -0.19 0.00 -1.10 0.00 0.00 60.65 58.56 3knj s ILE 146 Cb -0.15 -2.78 0.06 0.00 -1.06 0.00 0.00 42.46 38.53 3knj s ILE 146 CO 0.09 0.19 0.88 0.00 -0.10 0.00 0.00 174.94 176.00 3knj n ALA 147 N 0.85 -2.37 -2.32 9.38 0.00 -0.91 -3.26 120.51 121.88 3knj n ALA 147 Ca -0.12 -0.74 -0.33 0.00 0.00 0.00 0.00 53.44 52.24 3knj n ALA 147 Cb 0.52 0.33 -0.06 0.00 0.00 0.00 0.00 19.45 20.24 3knj n ALA 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3knj s VAL 148 N -2.13 4.84 0.90 0.00 1.01 -1.20 -1.45 120.40 122.37 3knj s VAL 148 Ca 0.20 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.77 3knj s VAL 148 Cb -0.02 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.84 3knj s VAL 148 CO 0.03 -0.01 1.11 0.00 0.00 0.00 0.00 175.10 176.23 3knj s ALA 149 N -1.75 1.68 0.24 5.51 0.00 0.80 -4.78 121.76 123.44 3knj s ALA 149 Ca 0.46 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.12 3knj s ALA 149 Cb -0.12 -3.09 0.25 0.00 0.00 0.00 0.00 23.12 20.16 3knj s ALA 149 CO 0.20 -2.28 1.56 1.05 0.00 0.00 0.00 175.76 176.29 3knj h GLU 150 N -1.49 0.26 -0.36 0.00 9.09 -1.97 -2.95 114.58 117.17 3knj h GLU 150 Ca -0.50 -0.17 -0.12 0.00 0.05 0.00 0.00 59.36 58.61 3knj h GLU 150 Cb 1.31 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.42 3knj h GLU 150 CO 0.59 0.77 -0.28 -0.22 0.05 0.00 0.00 179.01 179.93 3knj h LYS 151 N 0.19 0.74 -0.58 1.06 3.64 -1.93 -3.12 116.57 116.57 3knj h LYS 151 Ca -0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3knj h LYS 151 Cb 1.09 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3knj h LYS 151 CO 0.09 0.94 0.00 0.43 -2.27 0.00 0.00 179.45 178.64 3knj n SER 152 N -4.09 1.97 0.20 4.20 7.64 -1.12 -4.17 113.62 118.25 3knj n SER 152 Ca -0.01 -2.17 0.10 0.00 1.01 0.00 0.00 58.87 57.81 3knj n SER 152 Cb 0.46 -0.38 0.20 0.00 -1.01 0.00 0.00 64.21 63.48 3knj n SER 152 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3knj h ARG 153 N 1.34 0.00 -1.57 1.43 3.08 -1.47 -3.33 114.38 113.86 3knj h ARG 153 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3knj h ARG 153 Cb 0.68 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.31 3knj h ARG 153 CO 0.09 0.16 -0.74 0.27 -1.07 0.00 0.00 179.97 178.68 3knj n ASN 154 N -3.16 4.54 -4.28 7.04 6.94 -1.26 -4.86 115.26 120.22 3knj n ASN 154 Ca 0.03 -3.67 -0.33 0.00 -0.02 0.00 0.00 54.58 50.59 3knj n ASN 154 Cb 0.56 -0.47 -0.15 0.00 -2.36 0.00 0.00 39.78 37.35 3knj n ASN 154 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3knj s LEU 155 N -3.51 2.48 0.55 -4.53 1.43 -1.25 -5.01 118.68 108.83 3knj s LEU 155 Ca 0.47 -0.45 0.37 0.00 -1.03 0.00 0.00 54.13 53.49 3knj s LEU 155 Cb 0.39 -1.55 1.55 0.00 0.03 0.00 0.00 46.19 46.61 3knj s LEU 155 CO -0.18 0.11 1.78 -0.33 0.23 0.00 0.00 176.35 177.97 3knj h GLU 156 N 7.08 0.00 0.46 1.70 3.07 -1.94 -1.89 114.58 123.06 3knj h GLU 156 Ca -0.29 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 3knj h GLU 156 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3knj h GLU 156 CO 0.55 0.00 -0.22 1.25 -1.40 0.00 0.00 179.01 179.19 3knj h LEU 157 N 0.00 -0.53 -0.93 1.33 5.85 -1.97 -1.96 115.31 117.10 3knj h LEU 157 Ca 0.57 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.56 3knj h LEU 157 Cb 2.33 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 43.36 3knj h LEU 157 CO -0.01 -0.26 0.42 0.40 -0.34 0.00 0.00 178.44 178.65 3knj h ILE 158 N -0.86 0.38 0.00 4.05 1.08 -1.68 -0.48 117.51 120.00 3knj h ILE 158 Ca -0.06 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3knj h ILE 158 Cb 0.48 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 3knj h ILE 158 CO 0.10 0.06 0.00 0.54 -0.69 0.00 0.00 178.15 178.17 3knj n ARG 159 N -5.08 0.00 -0.30 2.37 5.12 -0.89 -0.20 116.66 117.67 3knj n ARG 159 Ca 0.25 0.08 0.25 0.00 -1.93 0.00 0.00 57.85 56.50 3knj n ARG 159 Cb 0.77 -1.01 0.46 0.00 -1.16 0.00 0.00 32.46 31.51 3knj n ARG 159 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3knj n GLN 160 N -0.61 -0.06 0.02 5.56 6.02 -0.74 0.14 117.38 127.70 3knj n GLN 160 Ca 0.00 1.29 -0.18 0.00 -0.01 0.00 0.00 57.00 58.10 3knj n GLN 160 Cb 0.00 -2.23 -0.13 0.00 1.02 0.00 0.00 30.24 28.89 3knj n GLN 160 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3knj h ASN 161 N 0.00 0.39 0.75 1.08 4.21 -1.12 -3.00 115.58 117.90 3knj h ASN 161 Ca 0.71 -0.90 -0.22 0.00 1.21 0.00 0.00 56.30 57.09 3knj h ASN 161 Cb 1.78 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.84 3knj h ASN 161 CO -0.75 1.26 -1.01 -0.07 -1.29 0.00 0.00 177.43 175.58 3knj h LEU 162 N -0.42 0.19 -0.97 1.61 3.38 0.12 -2.96 115.31 116.26 3knj h LEU 162 Ca -0.10 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3knj h LEU 162 Cb 1.42 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 3knj h LEU 162 CO 0.11 1.08 0.12 -0.08 0.09 0.00 0.00 178.44 179.77 3knj h GLU 163 N 0.05 0.87 0.00 1.13 4.57 0.11 -0.22 114.58 121.09 3knj h GLU 163 Ca -0.05 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 3knj h GLU 163 Cb 1.71 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 30.17 3knj h GLU 163 CO 0.15 0.79 -0.12 0.00 -1.18 0.00 0.00 179.01 178.64 3knj h ALA 164 N 1.30 1.34 -3.00 2.92 0.00 -1.45 -3.26 119.26 117.11 3knj h ALA 164 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3knj h ALA 164 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3knj h ALA 164 CO 0.00 0.15 0.00 -1.33 0.00 0.00 0.00 179.25 178.08 3knj n MET 165 N -3.73 0.00 0.00 0.00 2.81 -0.10 -4.64 117.12 111.47 3knj n MET 165 Ca -0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3knj n MET 165 Cb 0.23 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 3knj n MET 165 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3knj n LYS 166 N -0.42 0.00 0.00 0.03 5.02 -1.23 -1.33 118.16 120.23 3knj n LYS 166 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3knj n LYS 166 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3knj n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knj n GLY 167 N 0.00 3.68 3.69 0.72 0.00 -1.26 -5.10 105.19 106.92 3knj n GLY 167 Ca 0.00 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 3knj n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knj n ARG 168 N 0.00 0.86 -4.21 1.61 1.74 -0.44 -5.01 116.66 111.21 3knj n ARG 168 Ca 0.00 0.35 -0.32 0.00 -0.77 0.00 0.00 57.85 57.12 3knj n ARG 168 Cb 0.00 -2.42 -0.08 0.00 -1.02 0.00 0.00 32.46 28.93 3knj n ARG 168 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3knj s LYS 169 N -3.38 2.71 -0.18 5.56 1.02 -1.26 -5.06 119.74 119.15 3knj s LYS 169 Ca 0.79 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 56.02 3knj s LYS 169 Cb -0.37 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3knj s LYS 169 CO 0.44 0.59 0.04 0.08 -0.92 0.00 0.00 175.35 175.58 3knj s VAL 170 N -1.19 4.59 0.01 3.17 1.01 -1.26 -5.06 120.40 121.67 3knj s VAL 170 Ca 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3knj s VAL 170 Cb -0.12 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3knj s VAL 170 CO 0.14 0.47 0.01 0.61 0.00 0.00 0.00 175.10 176.32 3knj n GLY 171 N 3.54 -0.10 0.25 4.51 0.00 -1.26 -4.60 105.19 107.53 3knj n GLY 171 Ca -0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.01 3knj n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knj n PRO 172 N 0.05 -0.05 -0.91 1.61 -0.02 -1.26 -1.46 135.00 132.96 3knj n PRO 172 Ca 0.01 1.09 -0.01 0.00 -2.02 0.00 0.00 63.50 62.56 3knj n PRO 172 Cb 0.02 -1.80 0.32 0.00 -0.02 0.00 0.00 33.50 32.01 3knj n PRO 172 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3knj n TRP 173 N -4.92 2.16 -3.94 6.00 -0.00 -1.26 -4.96 117.44 110.52 3knj n TRP 173 Ca 0.21 -0.96 -0.08 0.00 -0.00 0.00 0.00 57.50 56.67 3knj n TRP 173 Cb 0.70 -0.59 -0.08 0.00 -0.00 0.00 0.00 31.31 31.33 3knj n TRP 173 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3knj s LEU 174 N -2.66 1.81 0.08 5.67 1.43 -0.53 -2.69 118.68 121.78 3knj s LEU 174 Ca 0.51 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3knj s LEU 174 Cb 0.40 0.71 -0.03 0.00 0.03 0.00 0.00 46.19 47.30 3knj s LEU 174 CO 0.13 -0.65 -0.12 -0.94 0.23 0.00 0.00 176.35 175.00 3knj s SER 175 N -2.75 1.48 -0.11 2.29 1.04 -1.03 -4.67 113.70 109.95 3knj s SER 175 Ca 0.04 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 3knj s SER 175 Cb 0.05 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.20 3knj s SER 175 CO -0.10 -0.16 0.13 -0.22 0.98 0.00 0.00 173.24 173.87 3knj s LEU 176 N -1.98 0.07 -1.01 2.42 2.96 -1.26 -3.22 118.68 116.67 3knj s LEU 176 Ca -0.00 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3knj s LEU 176 Cb -0.07 0.06 0.25 0.00 0.50 0.00 0.00 46.19 46.93 3knj s LEU 176 CO 0.01 -0.28 0.98 -0.67 -1.32 0.00 0.00 176.35 175.07 3knj n ASP 177 N 5.31 4.93 -0.18 3.68 -0.08 -1.26 -4.97 116.55 123.99 3knj n ASP 177 Ca -0.05 -3.12 -0.07 0.00 -1.51 0.00 0.00 54.79 50.05 3knj n ASP 177 Cb 0.50 -1.20 -0.05 0.00 2.34 0.00 0.00 41.12 42.70 3knj n ASP 177 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3knj h VAL 178 N 3.80 0.00 0.00 5.18 2.07 -1.96 -1.63 116.25 123.71 3knj h VAL 178 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3knj h VAL 178 Cb 0.82 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3knj h VAL 178 CO 0.96 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.93 3knj n GLU 179 N -4.20 0.00 0.29 1.57 1.02 -1.26 0.96 120.64 119.02 3knj n GLU 179 Ca 0.00 0.70 0.07 0.00 -0.02 0.00 0.00 57.16 57.91 3knj n GLU 179 Cb 0.16 -1.25 0.39 0.00 -0.02 0.00 0.00 31.44 30.72 3knj n GLU 179 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3knj h GLY 180 N 0.00 0.00 -4.73 0.62 0.00 -1.99 -3.44 103.07 93.52 3knj h GLY 180 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3knj h GLY 180 CO 0.00 0.00 -0.61 1.03 0.00 0.00 0.00 176.54 176.96 3knj n MET 181 N -2.50 -1.63 0.00 4.80 2.81 0.27 -4.94 117.12 115.93 3knj n MET 181 Ca -0.01 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 3knj n MET 181 Cb 0.61 -4.57 0.00 0.00 -0.71 0.00 0.00 33.22 28.55 3knj n MET 181 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3knj n LYS 182 N -2.73 0.00 0.00 0.03 5.02 -1.18 -3.22 118.16 116.08 3knj n LYS 182 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3knj n LYS 182 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 3knj n LYS 182 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knj n GLY 183 N 0.00 2.91 1.87 0.72 0.00 -1.20 -4.36 105.19 105.12 3knj n GLY 183 Ca 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 3knj n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knj n LYS 184 N 0.60 0.85 -3.70 1.61 5.02 -1.20 -1.71 118.16 119.63 3knj n LYS 184 Ca 0.00 -1.53 -0.28 0.00 -2.02 0.00 0.00 58.31 54.49 3knj n LYS 184 Cb 0.00 -0.07 -0.11 0.00 -0.02 0.00 0.00 35.03 34.83 3knj n LYS 184 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3knj n PHE 185 N -1.54 2.04 -0.01 2.13 -0.00 -1.07 -2.46 117.46 116.55 3knj n PHE 185 Ca 0.07 -4.01 -0.01 0.00 -0.00 0.00 0.00 57.45 53.50 3knj n PHE 185 Cb 0.29 -0.37 -0.01 0.00 -0.00 0.00 0.00 39.48 39.39 3knj n PHE 185 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3knj h LEU 186 N 5.31 -0.18 -7.91 -2.13 3.38 -1.84 0.76 115.31 112.70 3knj h LEU 186 Ca 0.18 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 3knj h LEU 186 Cb 0.79 0.07 -0.21 0.00 0.09 0.00 0.00 40.66 41.40 3knj h LEU 186 CO 0.63 -0.04 -0.64 0.00 0.09 0.00 0.00 178.44 178.48 3knj s ARG 187 N -3.25 0.36 0.48 1.13 1.70 -1.22 -3.80 118.95 114.35 3knj s ARG 187 Ca -0.01 -0.54 -0.23 0.00 -0.47 0.00 0.00 55.73 54.48 3knj s ARG 187 Cb 0.01 0.14 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 3knj s ARG 187 CO 0.06 -0.07 1.05 1.28 -1.08 0.00 0.00 175.30 176.54 3knj n LEU 188 N 1.57 3.27 -4.62 -1.89 4.77 -1.26 -4.74 117.00 114.10 3knj n LEU 188 Ca -0.24 0.97 -0.44 0.00 -0.03 0.00 0.00 56.01 56.27 3knj n LEU 188 Cb 0.55 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 3knj n LEU 188 CO 0.20 -1.44 1.71 -2.65 -1.33 0.00 0.00 177.39 173.89 3knj n PRO 189 N -0.26 2.20 -1.71 3.23 -0.02 -1.26 -4.89 135.00 132.29 3knj n PRO 189 Ca 0.10 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 3knj n PRO 189 Cb 0.42 -2.99 -0.03 0.00 -0.02 0.00 0.00 33.50 30.87 3knj n PRO 189 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3knj n ASP 190 N 9.38 3.93 -0.23 2.55 2.03 -1.26 -4.80 116.55 128.14 3knj n ASP 190 Ca 0.27 1.04 0.01 0.00 0.52 0.00 0.00 54.79 56.63 3knj n ASP 190 Cb 0.39 -1.55 0.04 0.00 -0.72 0.00 0.00 41.12 39.28 3knj n ASP 190 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3knj n ARG 191 N 4.38 -0.12 -0.32 -0.67 3.00 -1.26 -0.89 116.66 120.78 3knj n ARG 191 Ca 0.17 0.94 0.06 0.00 -0.00 0.00 0.00 57.85 59.02 3knj n ARG 191 Cb 0.35 -1.40 0.15 0.00 0.00 0.00 0.00 32.46 31.56 3knj n ARG 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3knj h GLU 192 N 0.00 0.01 -0.16 -0.14 4.57 -2.02 -0.74 114.58 116.10 3knj h GLU 192 Ca 0.24 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.46 3knj h GLU 192 Cb 0.39 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3knj h GLU 192 CO -0.61 0.01 0.17 -0.44 -1.18 0.00 0.00 179.01 176.95 3knj h ASP 193 N 0.01 0.00 -3.37 1.04 3.32 -1.36 -3.40 116.42 112.65 3knj h ASP 193 Ca 0.46 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.96 3knj h ASP 193 Cb 0.76 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 3knj h ASP 193 CO -0.92 0.00 -0.02 -0.76 -1.72 0.00 0.00 179.24 175.82 3knj s LEU 194 N -7.68 4.38 -0.02 1.55 2.01 -0.29 -4.93 118.68 113.71 3knj s LEU 194 Ca -0.05 1.21 0.24 0.00 0.01 0.00 0.00 54.13 55.54 3knj s LEU 194 Cb 0.15 -3.27 0.40 0.00 0.01 0.00 0.00 46.19 43.48 3knj s LEU 194 CO 0.56 0.12 1.15 0.00 1.01 0.00 0.00 176.35 179.19 3knj n ALA 195 N 0.99 2.50 -1.76 4.21 0.00 -1.26 -5.01 120.51 120.18 3knj n ALA 195 Ca -0.06 -2.23 -0.39 0.00 0.00 0.00 0.00 53.44 50.77 3knj n ALA 195 Cb 0.51 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.27 3knj n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3knj s LEU 196 N -0.28 3.98 -0.83 0.00 1.02 -1.26 -4.82 118.68 116.49 3knj s LEU 196 Ca 0.30 2.76 -0.23 0.00 0.02 0.00 0.00 54.13 56.98 3knj s LEU 196 Cb 0.35 -4.13 -0.16 0.00 0.02 0.00 0.00 46.19 42.27 3knj s LEU 196 CO -0.15 -1.32 1.90 -0.81 0.02 0.00 0.00 176.35 175.99 3knj n PRO 197 N -0.61 1.34 -3.94 1.29 -0.04 -1.26 -4.85 135.00 126.92 3knj n PRO 197 Ca 0.08 -1.94 -0.09 0.00 -0.04 0.00 0.00 63.50 61.50 3knj n PRO 197 Cb 0.44 -3.15 -0.07 0.00 -0.04 0.00 0.00 33.50 30.68 3knj n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knj s VAL 198 N 7.39 0.07 -0.61 0.52 1.01 -1.26 -4.88 120.40 122.65 3knj s VAL 198 Ca 0.63 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3knj s VAL 198 Cb 0.09 -1.78 0.22 0.00 0.00 0.00 0.00 36.38 34.91 3knj s VAL 198 CO 0.15 -0.32 0.61 -3.20 0.00 0.00 0.00 175.10 172.33 3knj n ASN 199 N -0.20 2.71 -0.22 3.32 2.85 -1.26 -4.95 115.26 117.51 3knj n ASN 199 Ca -0.08 -3.18 0.05 0.00 -0.11 0.00 0.00 54.58 51.26 3knj n ASN 199 Cb 0.63 -0.68 0.11 0.00 1.24 0.00 0.00 39.78 41.08 3knj n ASN 199 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3knj n GLU 200 N 1.44 -0.05 -0.19 1.20 0.00 -1.26 -0.10 120.64 121.67 3knj n GLU 200 Ca 0.26 0.97 -0.09 0.00 0.00 0.00 0.00 57.16 58.29 3knj n GLU 200 Cb 0.41 -1.47 -0.05 0.00 0.00 0.00 0.00 31.44 30.34 3knj n GLU 200 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3knj h GLN 201 N 0.00 -0.25 0.00 3.44 1.08 -1.95 0.93 115.11 118.36 3knj h GLN 201 Ca 0.32 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 3knj h GLN 201 Cb 0.55 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3knj h GLN 201 CO -0.63 -0.17 0.16 -0.07 -0.95 0.00 0.00 178.83 177.17 3knj h LEU 202 N -0.26 0.00 -0.01 1.46 3.38 -0.93 0.83 115.31 119.78 3knj h LEU 202 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3knj h LEU 202 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3knj h LEU 202 CO -0.66 0.00 -0.39 0.58 0.09 0.00 0.00 178.44 178.05 3knj h VAL 203 N 0.00 1.48 -0.10 1.22 2.07 0.93 -0.55 116.25 121.31 3knj h VAL 203 Ca 0.00 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 65.57 3knj h VAL 203 Cb 0.32 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 3knj h VAL 203 CO 0.00 0.56 -0.03 0.40 0.02 0.00 0.00 177.57 178.51 3knj h ILE 204 N -0.30 0.88 0.00 4.57 1.08 -0.30 -0.83 117.51 122.61 3knj h ILE 204 Ca -0.05 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3knj h ILE 204 Cb 1.12 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 35.75 3knj h ILE 204 CO 0.08 0.00 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.19 3knj h GLU 205 N -0.02 0.00 -0.76 2.37 5.08 -1.37 -0.67 114.58 119.21 3knj h GLU 205 Ca 0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3knj h GLU 205 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3knj h GLU 205 CO -0.11 0.02 0.24 0.35 -1.00 0.00 0.00 179.01 178.51 3knj h PHE 206 N 0.00 1.21 -1.08 4.33 3.57 0.32 -3.28 116.94 122.01 3knj h PHE 206 Ca -0.00 -0.12 -0.74 0.00 3.53 0.00 0.00 57.97 60.64 3knj h PHE 206 Cb 0.04 -0.35 -0.13 0.00 2.79 0.00 0.00 35.95 38.30 3knj h PHE 206 CO 0.00 0.95 2.32 0.66 -2.23 0.00 0.00 178.31 180.01 3knj n TYR 207 N -4.25 2.95 -1.73 0.41 0.53 -0.26 -3.59 117.16 111.22 3knj n TYR 207 Ca 0.06 -2.83 0.00 0.00 -1.02 0.00 0.00 57.90 54.11 3knj n TYR 207 Cb 0.23 -2.05 0.00 0.00 -1.03 0.00 0.00 39.34 36.49 3knj n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3knj n SER 208 N 3.92 0.00 0.00 7.72 7.64 -1.24 -4.98 113.62 126.68 3knj n SER 208 Ca 0.46 -1.03 0.15 0.00 1.01 0.00 0.00 58.87 59.46 3knj n SER 208 Cb 0.35 -0.01 0.87 0.00 -1.01 0.00 0.00 64.21 64.41 3knj n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89