#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj h LYS 8 N 0.00 -0.37 0.00 5.55 1.79 -2.04 -3.35 116.57 118.15 3knj h LYS 8 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3knj h LYS 8 Cb 0.00 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3knj h LYS 8 CO 0.00 -0.25 0.00 0.39 -1.08 0.00 0.00 179.45 178.51 3knj n GLU 9 N -4.64 0.00 -0.26 3.15 -0.58 -1.26 0.12 120.64 117.18 3knj n GLU 9 Ca -0.04 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.76 3knj n GLU 9 Cb 0.27 0.00 0.29 0.00 -0.57 0.00 0.00 31.44 31.43 3knj n GLU 9 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3knj h LEU 10 N 0.00 0.79 0.00 -4.62 3.38 -1.98 -1.23 115.31 111.66 3knj h LEU 10 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3knj h LEU 10 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3knj h LEU 10 CO 0.00 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.21 3knj n LEU 11 N -4.49 0.00 -0.10 1.67 4.77 0.32 0.21 117.00 119.37 3knj n LEU 11 Ca 0.13 0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 3knj n LEU 11 Cb 0.24 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3knj n LEU 11 CO 0.33 -0.07 -1.20 -0.62 -1.33 0.00 0.00 177.39 174.50 3knj n GLU 12 N -1.07 0.48 0.00 3.23 1.02 -0.48 -4.28 120.64 119.55 3knj n GLU 12 Ca 0.00 0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.43 3knj n GLU 12 Cb 0.00 -1.34 0.66 0.00 -0.02 0.00 0.00 31.44 30.74 3knj n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knj n ALA 13 N -3.50 2.32 -0.28 0.62 0.00 0.11 -2.90 120.51 116.88 3knj n ALA 13 Ca -0.39 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.03 3knj n ALA 13 Cb 0.84 -1.43 0.24 0.00 0.00 0.00 0.00 19.45 19.11 3knj n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3knj h GLY 14 N 4.39 1.20 0.00 0.00 0.00 0.23 -3.41 103.07 105.47 3knj h GLY 14 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3knj h GLY 14 CO 0.00 -0.32 0.00 3.33 0.00 0.00 0.00 176.54 179.55 3knj n VAL 15 N -5.23 0.00 -3.79 4.60 0.24 -1.25 -5.09 118.33 107.81 3knj n VAL 15 Ca 0.19 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.20 3knj n VAL 15 Cb 0.60 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.85 3knj n VAL 15 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3knj s HIS 16 N 0.00 2.92 0.00 6.34 3.76 -1.14 -4.64 115.29 122.53 3knj s HIS 16 Ca 0.00 -3.05 0.00 0.00 -0.15 0.00 0.00 55.06 51.86 3knj s HIS 16 Cb 0.00 -2.30 0.00 0.00 1.11 0.00 0.00 32.58 31.39 3knj s HIS 16 CO 0.00 -0.64 0.00 1.97 -0.85 0.00 0.00 174.74 175.22 3knj n PHE 17 N 2.37 0.00 -0.01 1.40 -0.00 -1.26 -4.46 117.46 115.50 3knj n PHE 17 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 3knj n PHE 17 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.85 3knj n PHE 17 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3knj n GLY 18 N -0.09 -2.40 0.00 4.97 0.00 -1.26 -4.75 105.19 101.66 3knj n GLY 18 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3knj n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3knj n HIS 19 N -2.17 0.00 -0.18 1.61 -0.00 -1.21 -4.12 115.22 109.14 3knj n HIS 19 Ca -0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 3knj n HIS 19 Cb 0.00 0.00 0.24 0.00 -0.12 0.00 0.00 29.99 30.11 3knj n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3knj n GLU 20 N 0.00 -4.33 -3.75 1.57 -0.58 -1.26 -4.49 120.64 107.81 3knj n GLU 20 Ca 0.00 -1.17 -0.13 0.00 -0.42 0.00 0.00 57.16 55.44 3knj n GLU 20 Cb 0.00 -1.52 -0.13 0.00 -0.57 0.00 0.00 31.44 29.22 3knj n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3knj s ARG 21 N -4.67 0.21 0.00 3.49 1.70 -1.26 -3.23 118.95 115.20 3knj s ARG 21 Ca 0.54 0.45 0.00 0.00 -0.47 0.00 0.00 55.73 56.24 3knj s ARG 21 Cb -0.09 -0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.23 3knj s ARG 21 CO 0.45 -0.12 0.00 1.63 -1.08 0.00 0.00 175.30 176.18 3knj n LYS 22 N 3.84 0.00 -0.95 3.89 4.76 -1.26 -4.61 118.16 123.83 3knj n LYS 22 Ca -0.22 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.11 3knj n LYS 22 Cb 0.54 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.58 3knj n LYS 22 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3knj n ARG 23 N 0.00 1.90 0.00 1.97 0.63 -1.26 -4.79 116.66 115.11 3knj n ARG 23 Ca 0.00 -0.91 0.00 0.00 -0.92 0.00 0.00 57.85 56.02 3knj n ARG 23 Cb 0.00 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 30.99 3knj n ARG 23 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 3knj n TRP 24 N 2.43 0.00 -3.58 -0.14 4.27 -1.26 -4.77 117.44 114.39 3knj n TRP 24 Ca 0.39 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.99 3knj n TRP 24 Cb 0.88 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.78 3knj n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3knj s ASN 25 N -1.00 -0.92 0.18 -0.67 3.84 -1.16 -4.90 114.94 110.31 3knj s ASN 25 Ca 0.00 1.31 -0.25 0.00 0.21 0.00 0.00 52.86 54.13 3knj s ASN 25 Cb 0.00 1.94 0.05 0.00 -0.55 0.00 0.00 41.25 42.68 3knj s ASN 25 CO 0.00 -0.19 1.49 -0.81 -2.79 0.00 0.00 177.10 174.81 3knj n PRO 26 N 5.05 -0.35 0.00 0.43 -0.04 -1.26 -2.13 135.00 136.70 3knj n PRO 26 Ca -0.13 1.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.80 3knj n PRO 26 Cb 0.52 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3knj n PRO 26 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3knj n LYS 27 N -5.29 0.00 -0.15 0.54 5.02 -1.26 -0.79 118.16 116.24 3knj n LYS 27 Ca 0.05 0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.48 3knj n LYS 27 Cb 0.30 -1.56 0.15 0.00 -0.02 0.00 0.00 35.03 33.91 3knj n LYS 27 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3knj n PHE 28 N -0.88 0.38 0.28 2.13 -0.00 -0.91 -4.34 117.46 114.12 3knj n PHE 28 Ca 0.00 -0.30 0.13 0.00 -0.00 0.00 0.00 57.45 57.27 3knj n PHE 28 Cb 0.06 -0.01 0.81 0.00 -0.00 0.00 0.00 39.48 40.33 3knj n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3knj h ALA 29 N 2.84 1.60 0.00 3.13 0.00 -1.17 -2.40 119.26 123.27 3knj h ALA 29 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3knj h ALA 29 Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3knj h ALA 29 CO 0.00 0.03 -0.28 0.07 0.00 0.00 0.00 179.25 179.07 3knj h ARG 30 N 0.00 0.00 -3.85 0.00 0.11 -1.84 -3.31 114.38 105.49 3knj h ARG 30 Ca -0.00 0.00 -0.73 0.00 0.10 0.00 0.00 59.98 59.35 3knj h ARG 30 Cb 0.06 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 30.83 3knj h ARG 30 CO 0.00 0.28 -0.26 0.71 0.10 0.00 0.00 179.97 180.81 3knj s TYR 31 N -4.32 3.51 0.00 4.08 4.12 -0.90 -4.97 117.35 118.87 3knj s TYR 31 Ca -0.03 -2.33 0.00 0.00 0.02 0.00 0.00 57.07 54.73 3knj s TYR 31 Cb 0.15 -3.43 0.00 0.00 -1.52 0.00 0.00 41.96 37.15 3knj s TYR 31 CO 0.70 -0.92 0.00 1.51 0.02 0.00 0.00 175.55 176.86 3knj n ILE 32 N 3.97 0.00 -0.01 2.71 0.13 -1.25 -4.63 119.36 120.29 3knj n ILE 32 Ca 0.05 0.00 0.02 0.00 -1.10 0.00 0.00 62.75 61.72 3knj n ILE 32 Cb 0.41 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.17 3knj n ILE 32 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3knj n TYR 33 N -0.34 0.00 -3.98 9.51 9.36 0.49 -4.47 117.16 127.74 3knj n TYR 33 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 3knj n TYR 33 Cb 0.00 -0.15 0.02 0.00 -0.63 0.00 0.00 39.34 38.57 3knj n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knj n ALA 34 N -1.79 -3.37 -2.11 2.98 0.00 -1.01 -4.94 120.51 110.28 3knj n ALA 34 Ca -0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.44 3knj n ALA 34 Cb 0.24 0.27 0.07 0.00 0.00 0.00 0.00 19.45 20.03 3knj n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3knj n GLU 35 N -0.87 2.55 -2.18 0.00 2.13 -1.25 0.14 120.64 121.15 3knj n GLU 35 Ca 0.03 -3.69 -0.42 0.00 0.66 0.00 0.00 57.16 53.74 3knj n GLU 35 Cb 0.58 -1.84 -0.03 0.00 0.27 0.00 0.00 31.44 30.43 3knj n GLU 35 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3knj s ARG 36 N -3.28 4.35 -1.06 5.31 3.00 -1.08 -2.37 118.95 123.83 3knj s ARG 36 Ca 0.42 2.09 -0.03 0.00 0.00 0.00 0.00 55.73 58.21 3knj s ARG 36 Cb 0.38 -3.20 0.00 0.00 0.00 0.00 0.00 34.95 32.14 3knj s ARG 36 CO -0.02 -0.33 0.90 -1.71 0.00 0.00 0.00 175.30 174.15 3knj n ASN 37 N 3.02 -3.66 0.00 0.23 2.85 -1.26 -2.68 115.26 113.76 3knj n ASN 37 Ca 0.08 -0.48 0.00 0.00 -0.11 0.00 0.00 54.58 54.06 3knj n ASN 37 Cb 0.42 -4.31 0.00 0.00 1.24 0.00 0.00 39.78 37.13 3knj n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3knj n GLY 38 N -1.40 0.00 3.94 8.20 0.00 -1.00 -4.90 105.19 110.03 3knj n GLY 38 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3knj n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knj s ILE 39 N -0.62 5.14 -0.34 -0.61 1.01 -1.09 -4.58 121.20 120.11 3knj s ILE 39 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3knj s ILE 39 Cb 0.00 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3knj s ILE 39 CO 0.00 -0.43 1.01 -1.00 0.00 0.00 0.00 174.94 174.52 3knj s HIS 40 N -2.17 3.11 -1.25 3.97 3.76 -1.20 -2.64 115.29 118.87 3knj s HIS 40 Ca 0.39 1.01 -0.16 0.00 -0.15 0.00 0.00 55.06 56.16 3knj s HIS 40 Cb -0.10 -3.69 0.12 0.00 1.11 0.00 0.00 32.58 30.02 3knj s HIS 40 CO 0.33 -0.80 1.58 -0.89 -0.85 0.00 0.00 174.74 174.11 3knj n ILE 41 N 5.94 4.11 -1.47 0.60 -0.00 0.36 -3.35 119.36 125.55 3knj n ILE 41 Ca 0.10 -4.44 -0.38 0.00 -0.00 0.00 0.00 62.75 58.03 3knj n ILE 41 Cb 0.48 -2.41 0.04 0.00 -0.00 0.00 0.00 39.64 37.74 3knj n ILE 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3knj n ILE 42 N 5.44 2.38 -2.69 1.39 3.06 -1.26 0.19 119.36 127.86 3knj n ILE 42 Ca 0.43 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.75 3knj n ILE 42 Cb 0.44 -0.72 -0.03 0.00 0.54 0.00 0.00 39.64 39.87 3knj n ILE 42 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3knj s ASP 43 N -1.19 6.68 0.36 9.51 2.15 -1.26 -4.32 116.67 128.59 3knj s ASP 43 Ca 0.69 0.54 0.11 0.00 0.43 0.00 0.00 52.55 54.32 3knj s ASP 43 Cb -0.44 -2.51 0.67 0.00 -0.30 0.00 0.00 42.92 40.34 3knj s ASP 43 CO 0.54 -1.06 1.81 -0.07 -0.17 0.00 0.00 175.17 176.22 3knj h LEU 44 N 10.63 0.07 -0.93 -1.34 4.07 -1.95 -2.46 115.31 123.40 3knj h LEU 44 Ca -0.23 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.62 3knj h LEU 44 Cb 1.07 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 3knj h LEU 44 CO 1.06 0.43 -0.43 -0.61 -1.08 0.00 0.00 178.44 177.80 3knj h GLN 45 N 0.06 0.00 0.00 1.13 4.15 -2.00 -2.95 115.11 115.50 3knj h GLN 45 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3knj h GLN 45 Cb 0.66 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3knj h GLN 45 CO 0.05 0.43 -0.17 1.17 -1.93 0.00 0.00 178.83 178.38 3knj n LYS 46 N -3.65 0.24 -0.05 1.69 4.81 -0.94 -2.92 118.16 117.34 3knj n LYS 46 Ca -0.01 0.16 -0.16 0.00 -0.87 0.00 0.00 58.31 57.43 3knj n LYS 46 Cb 0.52 -1.74 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 3knj n LYS 46 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3knj h THR 47 N 0.00 1.32 -0.48 3.15 2.02 -1.37 -3.23 112.91 114.33 3knj h THR 47 Ca 0.00 -1.76 0.05 0.00 0.77 0.00 0.00 66.41 65.47 3knj h THR 47 Cb 0.71 1.94 -0.07 0.00 -1.74 0.00 0.00 68.15 69.00 3knj h THR 47 CO 0.00 0.55 -0.38 -0.03 0.37 0.00 0.00 175.52 176.02 3knj h MET 48 N 0.34 -0.12 -0.81 6.66 1.85 -1.53 0.16 114.93 121.48 3knj h MET 48 Ca -0.01 0.01 0.20 0.00 -0.61 0.00 0.00 59.70 59.28 3knj h MET 48 Cb 1.13 0.03 -0.13 0.00 0.43 0.00 0.00 31.60 33.07 3knj h MET 48 CO 0.11 -0.08 0.21 0.93 -0.40 0.00 0.00 176.91 177.68 3knj h GLU 49 N -0.12 0.25 -0.13 0.39 5.08 -1.62 -1.57 114.58 116.85 3knj h GLU 49 Ca 0.08 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3knj h GLU 49 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3knj h GLU 49 CO -0.52 0.16 -0.55 0.93 -1.00 0.00 0.00 179.01 178.03 3knj h GLU 50 N 0.25 0.39 -0.03 2.33 4.39 -1.28 -2.99 114.58 117.65 3knj h GLU 50 Ca 0.48 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 3knj h GLU 50 Cb 0.90 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 3knj h GLU 50 CO -0.58 0.84 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.92 3knj h LEU 51 N 0.30 0.03 0.48 1.33 3.38 0.02 -0.25 115.31 120.60 3knj h LEU 51 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3knj h LEU 51 Cb 1.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3knj h LEU 51 CO 0.09 0.16 -0.23 -0.08 0.09 0.00 0.00 178.44 178.48 3knj h GLU 52 N 0.04 -0.62 -0.02 1.13 4.81 -1.39 -0.91 114.58 117.62 3knj h GLU 52 Ca 0.01 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3knj h GLU 52 Cb 0.24 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3knj h GLU 52 CO 0.02 -0.41 0.04 -0.09 -0.73 0.00 0.00 179.01 177.84 3knj h ARG 53 N -1.12 0.00 0.00 1.92 1.12 -1.41 -2.57 114.38 112.31 3knj h ARG 53 Ca -0.07 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.72 3knj h ARG 53 Cb 0.49 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 3knj h ARG 53 CO 0.11 0.00 -0.51 1.15 -3.11 0.00 0.00 179.97 177.61 3knj h THR 54 N 0.00 0.96 0.00 0.20 2.02 -1.01 -3.38 112.91 111.69 3knj h THR 54 Ca 0.01 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 3knj h THR 54 Cb 0.09 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3knj h THR 54 CO -0.00 0.32 -0.05 -0.26 0.37 0.00 0.00 175.52 175.91 3knj h PHE 55 N -1.00 0.00 -0.51 3.16 0.04 -1.04 -1.39 116.94 116.20 3knj h PHE 55 Ca -0.12 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.70 3knj h PHE 55 Cb 0.88 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.98 3knj h PHE 55 CO 0.10 0.05 0.25 0.00 -0.60 0.00 0.00 178.31 178.11 3knj h ARG 56 N 0.00 0.47 0.07 1.51 2.47 -1.64 0.53 114.38 117.80 3knj h ARG 56 Ca -0.00 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3knj h ARG 56 Cb 0.35 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3knj h ARG 56 CO 0.01 0.31 -0.04 0.35 0.56 0.00 0.00 179.97 181.16 3knj h PHE 57 N 0.48 -0.09 0.36 3.04 3.57 -1.45 -0.04 116.94 122.82 3knj h PHE 57 Ca 0.23 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3knj h PHE 57 Cb 0.16 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3knj h PHE 57 CO -0.11 0.18 -0.43 0.82 -2.23 0.00 0.00 178.31 176.54 3knj h ILE 58 N -0.37 0.14 -0.82 1.41 1.08 -1.14 2.27 117.51 120.08 3knj h ILE 58 Ca -0.01 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 3knj h ILE 58 Cb 0.32 0.14 -0.14 0.00 -3.07 0.00 0.00 36.82 34.06 3knj h ILE 58 CO 0.02 0.00 -0.36 -0.08 -0.69 0.00 0.00 178.15 177.03 3knj h GLU 59 N -0.83 -0.07 -0.57 2.37 4.81 0.08 0.31 114.58 120.68 3knj h GLU 59 Ca -0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3knj h GLU 59 Cb 0.76 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3knj h GLU 59 CO -0.10 -0.04 0.16 0.22 -0.73 0.00 0.00 179.01 178.51 3knj h ASP 60 N -0.07 0.85 0.58 1.04 -0.00 0.37 -1.51 116.42 117.68 3knj h ASP 60 Ca 0.30 -0.22 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 3knj h ASP 60 Cb 0.58 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.69 3knj h ASP 60 CO -0.86 0.85 0.00 -0.11 -0.00 0.00 0.00 179.24 179.12 3knj n LEU 61 N -4.40 0.65 -0.00 2.28 7.94 0.75 -3.19 117.00 121.03 3knj n LEU 61 Ca 0.03 0.68 -0.00 0.00 -1.11 0.00 0.00 56.01 55.61 3knj n LEU 61 Cb 0.22 -0.63 -0.00 0.00 0.53 0.00 0.00 43.42 43.54 3knj n LEU 61 CO 0.40 -0.64 0.04 0.00 -1.11 0.00 0.00 177.39 176.08 3knj h ALA 62 N 2.21 -0.08 -1.57 1.96 0.00 0.53 -3.01 119.26 119.30 3knj h ALA 62 Ca 0.00 -0.01 0.47 0.00 0.00 0.00 0.00 54.91 55.37 3knj h ALA 62 Cb 0.29 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3knj h ALA 62 CO 0.00 -0.08 1.11 0.00 0.00 0.00 0.00 179.25 180.28 3knj h MET 63 N -0.30 0.03 -0.79 0.00 -0.00 -1.45 0.82 114.93 113.23 3knj h MET 63 Ca -0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 3knj h MET 63 Cb 0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 31.58 3knj h MET 63 CO 0.00 0.02 0.07 2.89 -0.00 0.00 0.00 176.91 179.90 3knj n ARG 64 N -4.20 3.07 -4.03 -0.10 1.85 -1.19 -4.93 116.66 107.12 3knj n ARG 64 Ca 0.37 -1.89 -0.32 0.00 -1.00 0.00 0.00 57.85 55.01 3knj n ARG 64 Cb 1.63 -1.92 -0.00 0.00 -1.05 0.00 0.00 32.46 31.12 3knj n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knj n GLY 65 N 0.22 -0.43 3.60 2.89 0.00 0.28 -4.96 105.19 106.79 3knj n GLY 65 Ca 0.20 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 3knj n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knj s GLY 66 N -3.48 1.91 0.88 -0.02 0.00 -1.14 -5.09 107.32 100.39 3knj s GLY 66 Ca 0.59 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 3knj s GLY 66 CO 0.88 0.30 1.16 -0.51 0.00 0.00 0.00 173.10 174.93 3knj s THR 67 N 0.93 2.06 -0.13 0.90 -4.23 -1.26 -4.75 115.64 109.15 3knj s THR 67 Ca 0.05 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 3knj s THR 67 Cb -0.13 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.59 3knj s THR 67 CO 0.03 -0.02 0.00 -0.63 -0.54 0.00 0.00 174.62 173.46 3knj s ILE 68 N -2.51 0.59 -0.51 2.99 -1.09 -1.26 -3.15 121.20 116.26 3knj s ILE 68 Ca 0.69 -0.27 -0.19 0.00 -2.23 0.00 0.00 60.65 58.64 3knj s ILE 68 Cb -0.24 -0.87 0.06 0.00 -1.58 0.00 0.00 42.46 39.82 3knj s ILE 68 CO 0.56 0.07 0.65 -0.22 -1.23 0.00 0.00 174.94 174.77 3knj s LEU 69 N 1.86 4.92 0.48 2.97 1.98 -0.19 -3.52 118.68 127.18 3knj s LEU 69 Ca 0.02 -0.89 -0.19 0.00 -2.89 0.00 0.00 54.13 50.18 3knj s LEU 69 Cb -0.14 -2.47 -0.09 0.00 0.66 0.00 0.00 46.19 44.15 3knj s LEU 69 CO -0.07 -0.92 0.98 -0.36 -1.89 0.00 0.00 176.35 174.09 3knj s PHE 70 N 2.72 3.31 -0.09 5.38 0.40 0.57 -2.97 117.98 127.30 3knj s PHE 70 Ca 0.16 1.54 -0.06 0.00 -0.60 0.00 0.00 56.93 57.97 3knj s PHE 70 Cb -0.19 -2.86 0.03 0.00 0.51 0.00 0.00 43.02 40.51 3knj s PHE 70 CO 0.12 -0.37 0.22 0.08 0.70 0.00 0.00 175.22 175.97 3knj s VAL 71 N -2.36 -0.02 0.00 -0.44 1.01 -0.36 -3.16 120.40 115.07 3knj s VAL 71 Ca 0.61 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3knj s VAL 71 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.94 3knj s VAL 71 CO 0.23 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3knj n GLY 72 N 3.63 -1.25 0.57 4.51 0.00 -1.00 -1.25 105.19 110.40 3knj n GLY 72 Ca -0.19 0.95 0.13 0.00 0.00 0.00 0.00 46.02 46.91 3knj n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3knj n THR 73 N 0.00 0.00 -1.73 2.61 -2.24 -1.24 -4.30 114.28 107.38 3knj n THR 73 Ca 0.00 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 3knj n THR 73 Cb 0.00 0.71 0.04 0.00 -2.10 0.00 0.00 70.33 68.98 3knj n THR 73 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3knj s LYS 74 N -2.03 3.00 0.00 -0.78 0.00 -1.26 -4.62 119.74 114.04 3knj s LYS 74 Ca 0.35 1.10 0.31 0.00 0.00 0.00 0.00 55.97 57.73 3knj s LYS 74 Cb 0.21 -1.99 1.78 0.00 0.00 0.00 0.00 37.83 37.82 3knj s LYS 74 CO 0.34 -1.06 2.16 1.63 0.00 0.00 0.00 175.35 178.43 3knj n LYS 75 N -2.71 0.83 -0.06 1.78 4.76 -1.26 -0.25 118.16 121.24 3knj n LYS 75 Ca 0.08 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.53 3knj n LYS 75 Cb 0.53 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.26 3knj n LYS 75 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3knj n GLN 76 N -1.08 1.28 0.00 1.97 6.02 -1.26 -4.02 117.38 120.29 3knj n GLN 76 Ca 0.21 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3knj n GLN 76 Cb 0.14 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.09 3knj n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3knj n ALA 77 N -0.11 0.00 0.27 -1.58 0.00 -1.07 -4.09 120.51 113.94 3knj n ALA 77 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.63 3knj n ALA 77 Cb 0.20 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.35 3knj n ALA 77 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3knj h GLN 78 N 0.00 0.00 0.00 0.00 4.20 -0.76 -3.19 115.11 115.36 3knj h GLN 78 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3knj h GLN 78 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3knj h GLN 78 CO 0.00 0.05 0.00 -0.25 -0.67 0.00 0.00 178.83 177.96 3knj n ASP 79 N -3.18 0.00 0.14 1.46 8.00 -1.26 -4.29 116.55 117.42 3knj n ASP 79 Ca 0.00 0.14 0.12 0.00 0.71 0.00 0.00 54.79 55.76 3knj n ASP 79 Cb 0.30 -0.15 0.27 0.00 -0.02 0.00 0.00 41.12 41.52 3knj n ASP 79 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3knj h ILE 80 N 0.00 0.02 -0.13 0.53 2.10 -1.97 0.74 117.51 118.80 3knj h ILE 80 Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.82 3knj h ILE 80 Cb 0.00 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 35.82 3knj h ILE 80 CO 0.00 0.00 -0.44 0.58 -1.08 0.00 0.00 178.15 177.21 3knj h VAL 81 N 0.00 1.32 0.00 2.19 2.07 -1.73 -3.06 116.25 117.04 3knj h VAL 81 Ca 0.17 -1.60 -0.25 0.00 0.82 0.00 0.00 66.70 65.84 3knj h VAL 81 Cb 2.12 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.54 3knj h VAL 81 CO -0.00 0.48 -1.47 -0.09 0.02 0.00 0.00 177.57 176.51 3knj h ARG 82 N 0.26 0.00 0.05 1.57 2.43 0.31 -3.16 114.38 115.84 3knj h ARG 82 Ca 0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3knj h ARG 82 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3knj h ARG 82 CO 0.07 0.59 -0.09 0.52 -1.51 0.00 0.00 179.97 179.55 3knj h MET 83 N 0.00 -0.14 0.28 0.20 2.86 -1.40 -0.87 114.93 115.86 3knj h MET 83 Ca -0.20 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3knj h MET 83 Cb 1.89 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.58 3knj h MET 83 CO 0.09 -0.10 -0.21 0.93 1.06 0.00 0.00 176.91 178.68 3knj h GLU 84 N -0.15 -0.47 -1.05 1.72 4.39 -1.73 -1.68 114.58 115.62 3knj h GLU 84 Ca -0.01 0.03 0.27 0.00 0.34 0.00 0.00 59.36 60.00 3knj h GLU 84 Cb 0.14 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.80 3knj h GLU 84 CO -0.03 -0.31 0.67 0.00 -1.16 0.00 0.00 179.01 178.18 3knj h ALA 85 N 0.19 2.21 0.24 3.43 0.00 -1.57 0.23 119.26 123.99 3knj h ALA 85 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3knj h ALA 85 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3knj h ALA 85 CO -0.00 -0.63 -0.12 0.93 0.00 0.00 0.00 179.25 179.43 3knj h GLU 86 N 0.40 -0.31 -3.03 0.00 5.08 -0.73 -0.43 114.58 115.55 3knj h GLU 86 Ca 0.61 0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.80 3knj h GLU 86 Cb 1.53 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3knj h GLU 86 CO -0.33 0.05 1.20 -2.13 -1.00 0.00 0.00 179.01 176.80 3knj n ARG 87 N -5.05 1.32 0.00 2.33 0.00 0.79 -1.73 116.66 114.32 3knj n ARG 87 Ca -0.09 -0.87 0.00 0.00 -0.00 0.00 0.00 57.85 56.89 3knj n ARG 87 Cb 0.26 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.67 3knj n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knj n ALA 88 N 3.55 0.00 -0.70 5.13 0.00 -1.19 -4.92 120.51 122.38 3knj n ALA 88 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3knj n ALA 88 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3knj n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knj n GLY 89 N -0.39 0.57 3.61 0.00 0.00 -0.19 -5.04 105.19 103.75 3knj n GLY 89 Ca 0.00 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 3knj n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3knj s MET 90 N -1.37 3.96 1.00 1.61 -1.94 -1.11 -4.98 119.30 116.48 3knj s MET 90 Ca 0.00 -0.33 -0.19 0.00 -1.71 0.00 0.00 55.69 53.47 3knj s MET 90 Cb 0.00 -3.44 -0.15 0.00 2.01 0.00 0.00 34.83 33.25 3knj s MET 90 CO 0.00 0.05 -0.90 -2.30 -0.01 0.00 0.00 175.02 171.85 3knj n PRO 91 N 4.29 -0.01 -0.62 2.03 -0.02 -1.23 -4.60 135.00 134.84 3knj n PRO 91 Ca -0.15 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3knj n PRO 91 Cb 0.52 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 3knj n PRO 91 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3knj n TYR 92 N -2.68 -0.52 -3.48 6.00 0.18 0.30 -0.32 117.16 116.64 3knj n TYR 92 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 3knj n TYR 92 Cb 0.59 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.50 3knj n TYR 92 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3knj s VAL 93 N -2.91 -0.43 -0.05 -3.48 -7.23 -1.19 -4.52 120.40 100.60 3knj s VAL 93 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.24 3knj s VAL 93 Cb 0.00 -1.00 0.10 0.00 0.56 0.00 0.00 36.38 36.04 3knj s VAL 93 CO 0.00 0.00 1.04 0.59 -0.31 0.00 0.00 175.10 176.42 3knj n ASN 94 N 4.73 2.05 -4.25 4.85 3.02 -1.26 -2.38 115.26 122.01 3knj n ASN 94 Ca -0.12 -2.37 -0.15 0.00 -0.03 0.00 0.00 54.58 51.91 3knj n ASN 94 Cb 0.53 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 3knj n ASN 94 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3knj s GLN 95 N -1.63 1.07 -0.11 3.52 -1.52 -1.26 -4.66 119.66 115.07 3knj s GLN 95 Ca 0.11 -1.41 -0.10 0.00 -1.95 0.00 0.00 55.36 52.02 3knj s GLN 95 Cb 0.10 -0.73 -0.04 0.00 -0.22 0.00 0.00 33.01 32.12 3knj s GLN 95 CO 0.01 0.11 0.39 0.54 -0.25 0.00 0.00 175.29 176.09 3knj n ARG 96 N -0.03 0.00 -1.71 2.91 3.00 -1.26 -4.62 116.66 114.95 3knj n ARG 96 Ca -0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.42 3knj n ARG 96 Cb 0.60 -0.32 -0.04 0.00 0.00 0.00 0.00 32.46 32.70 3knj n ARG 96 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 3knj s TRP 97 N 0.92 1.28 0.24 -1.55 -0.00 -1.26 -4.89 118.94 113.68 3knj s TRP 97 Ca 0.24 1.41 -0.31 0.00 -0.00 0.00 0.00 56.10 57.43 3knj s TRP 97 Cb -0.32 -3.70 -0.13 0.00 -0.00 0.00 0.00 33.47 29.32 3knj s TRP 97 CO 0.16 -2.19 1.42 1.28 -0.00 0.00 0.00 176.95 177.62 3knj n LEU 98 N 15.68 3.16 -4.69 5.86 4.77 -1.26 -4.93 117.00 135.60 3knj n LEU 98 Ca 0.36 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 57.05 3knj n LEU 98 Cb 0.51 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.14 3knj n LEU 98 CO 0.66 -0.45 0.97 -0.83 -1.33 0.00 0.00 177.39 176.41 3knj s GLY 99 N 0.33 2.08 0.00 -0.72 0.00 -1.26 -2.99 107.32 104.76 3knj s GLY 99 Ca 0.68 0.64 0.00 0.00 0.00 0.00 0.00 44.72 46.05 3knj s GLY 99 CO 0.49 2.24 0.00 0.61 0.00 0.00 0.00 173.10 176.44 3knj n GLY 100 N 3.39 1.66 0.12 0.20 0.00 -1.26 -4.98 105.19 104.31 3knj n GLY 100 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 3knj n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knj n MET 101 N -1.35 -0.12 -0.03 1.61 0.00 -1.16 0.22 117.12 116.28 3knj n MET 101 Ca 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 57.70 58.41 3knj n MET 101 Cb 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 33.22 32.17 3knj n MET 101 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3knj h LEU 102 N 0.00 0.00 -0.52 4.03 4.07 -1.92 -2.73 115.31 118.24 3knj h LEU 102 Ca 0.04 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.07 3knj h LEU 102 Cb 0.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.80 3knj h LEU 102 CO -0.26 0.33 0.23 0.74 -1.08 0.00 0.00 178.44 178.40 3knj h THR 103 N -0.66 0.88 -2.28 0.22 2.02 -1.79 -1.47 112.91 109.83 3knj h THR 103 Ca 0.00 -0.15 -0.74 0.00 0.77 0.00 0.00 66.41 66.29 3knj h THR 103 Cb 0.01 0.40 -0.32 0.00 -1.74 0.00 0.00 68.15 66.51 3knj h THR 103 CO 0.00 0.08 0.48 -3.20 0.37 0.00 0.00 175.52 173.25 3knj n ASN 104 N -4.94 6.39 -0.01 4.18 2.85 0.60 -4.68 115.26 119.65 3knj n ASN 104 Ca 0.05 -3.68 -0.17 0.00 -0.11 0.00 0.00 54.58 50.68 3knj n ASN 104 Cb 0.18 -0.97 -0.13 0.00 1.24 0.00 0.00 39.78 40.10 3knj n ASN 104 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3knj h PHE 105 N 3.86 0.30 0.00 1.20 3.57 -0.93 -2.70 116.94 122.24 3knj h PHE 105 Ca 0.40 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3knj h PHE 105 Cb 0.39 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3knj h PHE 105 CO 1.17 1.09 0.00 1.17 -2.23 0.00 0.00 178.31 179.50 3knj n LYS 106 N -4.39 0.00 0.00 1.11 4.81 -1.26 0.55 118.16 118.98 3knj n LYS 106 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 3knj n LYS 106 Cb 0.61 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.33 3knj n LYS 106 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3knj n THR 107 N -0.79 0.00 0.07 3.15 -1.04 -1.22 -4.40 114.28 110.04 3knj n THR 107 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3knj n THR 107 Cb 0.00 -0.26 -0.12 0.00 -1.82 0.00 0.00 70.33 68.14 3knj n THR 107 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3knj h ILE 108 N 0.00 1.66 0.00 12.58 1.08 0.07 -3.19 117.51 129.71 3knj h ILE 108 Ca 0.00 -3.31 0.00 0.00 -0.39 0.00 0.00 64.86 61.16 3knj h ILE 108 Cb 0.43 2.86 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 3knj h ILE 108 CO 0.00 0.95 0.00 0.28 -0.69 0.00 0.00 178.15 178.69 3knj h SER 109 N 0.02 0.00 0.10 1.72 0.02 -0.15 -2.44 113.55 112.82 3knj h SER 109 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3knj h SER 109 Cb 1.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.34 3knj h SER 109 CO 0.15 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.80 3knj n GLN 110 N -2.72 1.14 0.01 3.45 10.64 -1.20 -0.16 117.38 128.54 3knj n GLN 110 Ca 0.03 -0.42 0.11 0.00 -1.83 0.00 0.00 57.00 54.89 3knj n GLN 110 Cb 0.38 -1.49 -0.10 0.00 -0.86 0.00 0.00 30.24 28.16 3knj n GLN 110 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3knj n ARG 111 N -0.56 0.47 -0.09 2.61 5.12 -0.92 -3.55 116.66 119.73 3knj n ARG 111 Ca 0.19 -0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.90 3knj n ARG 111 Cb 0.25 -1.57 -0.15 0.00 -1.16 0.00 0.00 32.46 29.84 3knj n ARG 111 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3knj n VAL 112 N -2.13 1.48 0.29 1.55 0.31 -0.99 -2.64 118.33 116.20 3knj n VAL 112 Ca -0.01 -0.76 0.15 0.00 -0.01 0.00 0.00 64.34 63.70 3knj n VAL 112 Cb 0.50 -0.88 0.86 0.00 -0.91 0.00 0.00 33.84 33.41 3knj n VAL 112 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 3knj h HIS 113 N 0.01 0.00 -0.00 3.52 -0.00 -0.69 -0.29 115.15 117.70 3knj h HIS 113 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 3knj h HIS 113 Cb 2.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.52 3knj h HIS 113 CO 0.01 0.05 -0.88 -2.13 -0.00 0.00 0.00 177.93 174.98 3knj n ARG 114 N -3.72 0.49 -0.07 5.26 3.00 -1.23 -4.09 116.66 116.31 3knj n ARG 114 Ca -0.02 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.85 57.55 3knj n ARG 114 Cb 0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 32.46 31.11 3knj n ARG 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3knj h LEU 115 N 0.30 0.89 -0.53 6.15 5.85 -0.81 -2.95 115.31 124.20 3knj h LEU 115 Ca 0.00 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 3knj h LEU 115 Cb 0.51 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3knj h LEU 115 CO 0.00 1.28 -0.11 1.05 -0.34 0.00 0.00 178.44 180.32 3knj h GLU 116 N 0.55 0.00 0.00 1.25 4.11 -1.68 -2.20 114.58 116.61 3knj h GLU 116 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3knj h GLU 116 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3knj h GLU 116 CO 0.12 0.11 -0.35 0.93 0.07 0.00 0.00 179.01 179.89 3knj h GLU 117 N 0.00 0.00 0.05 1.06 5.08 -1.67 -1.22 114.58 117.88 3knj h GLU 117 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3knj h GLU 117 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3knj h GLU 117 CO 0.01 0.35 -1.12 -0.07 -1.00 0.00 0.00 179.01 177.18 3knj h LEU 118 N 0.00 0.16 -1.68 1.33 3.38 -1.34 -3.00 115.31 114.16 3knj h LEU 118 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3knj h LEU 118 Cb 0.63 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3knj h LEU 118 CO 0.05 1.14 0.00 -0.08 0.09 0.00 0.00 178.44 179.63 3knj h GLU 119 N 0.03 0.00 0.00 1.13 4.57 -0.64 0.40 114.58 120.06 3knj h GLU 119 Ca -0.07 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.81 3knj h GLU 119 Cb 1.85 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.40 3knj h GLU 119 CO 0.16 0.00 -1.72 0.00 -1.18 0.00 0.00 179.01 176.27 3knj n ALA 120 N -2.09 0.93 0.12 2.92 0.00 -0.73 -3.76 120.51 117.91 3knj n ALA 120 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 53.44 52.71 3knj n ALA 120 Cb 0.27 -0.22 0.07 0.00 0.00 0.00 0.00 19.45 19.56 3knj n ALA 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knj n LEU 121 N -4.37 0.00 0.15 0.00 0.00 -1.13 -0.94 117.00 110.70 3knj n LEU 121 Ca -0.39 0.34 -0.06 0.00 0.00 0.00 0.00 56.01 55.90 3knj n LEU 121 Cb 0.73 -0.34 -0.03 0.00 0.00 0.00 0.00 43.42 43.78 3knj n LEU 121 CO 0.12 -0.31 0.31 0.15 0.00 0.00 0.00 177.39 177.66 3knj h PHE 122 N 0.00 -0.38 -0.62 1.96 3.57 -1.00 -3.35 116.94 117.11 3knj h PHE 122 Ca 0.00 -0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.16 3knj h PHE 122 Cb 0.03 0.13 -0.20 0.00 2.79 0.00 0.00 35.95 38.70 3knj h PHE 122 CO 0.00 -0.24 0.21 0.00 -2.23 0.00 0.00 178.31 176.05 3knj n ALA 123 N -2.37 4.90 -2.75 2.41 0.00 -0.92 -4.95 120.51 116.82 3knj n ALA 123 Ca -0.05 -3.09 -0.33 0.00 0.00 0.00 0.00 53.44 49.98 3knj n ALA 123 Cb 0.16 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 3knj n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knj s SER 124 N -2.08 3.87 0.00 0.00 0.15 -0.12 -5.00 113.70 110.52 3knj s SER 124 Ca 0.50 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.85 3knj s SER 124 Cb 0.44 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 3knj s SER 124 CO 0.04 0.26 0.11 -0.81 1.20 0.00 0.00 173.24 174.03 3knj n PRO 125 N 2.89 0.00 0.00 5.44 -0.04 -1.26 -2.95 135.00 139.08 3knj n PRO 125 Ca -0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 3knj n PRO 125 Cb 0.52 -1.24 0.16 0.00 -0.04 0.00 0.00 33.50 32.90 3knj n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3knj n GLU 126 N -0.46 0.14 0.19 0.54 1.02 -1.26 -0.40 120.64 120.40 3knj n GLU 126 Ca 0.00 0.08 0.14 0.00 -0.02 0.00 0.00 57.16 57.36 3knj n GLU 126 Cb 0.00 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 30.56 3knj n GLU 126 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3knj h ILE 127 N 0.00 0.00 0.00 -3.67 1.08 -1.80 -3.32 117.51 109.80 3knj h ILE 127 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3knj h ILE 127 Cb 0.02 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 3knj h ILE 127 CO 0.00 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.67 3knj n GLU 128 N -2.50 0.00 0.00 2.37 4.07 0.46 -4.24 120.64 120.81 3knj n GLU 128 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3knj n GLU 128 Cb 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.55 3knj n GLU 128 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3knj n GLU 129 N -3.60 0.00 -2.07 5.31 1.02 -1.25 -5.12 120.64 114.93 3knj n GLU 129 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3knj n GLU 129 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3knj n GLU 129 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3knj n ARG 130 N 0.00 -4.43 -1.73 3.49 5.12 -1.26 -4.84 116.66 113.01 3knj n ARG 130 Ca 0.00 3.28 -0.42 0.00 -1.93 0.00 0.00 57.85 58.78 3knj n ARG 130 Cb 0.00 -3.96 -0.02 0.00 -1.16 0.00 0.00 32.46 27.32 3knj n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3knj n PRO 131 N 1.55 2.71 0.14 5.56 -0.04 -1.26 -4.59 135.00 139.07 3knj n PRO 131 Ca 0.00 0.97 0.10 0.00 -0.04 0.00 0.00 63.50 64.53 3knj n PRO 131 Cb 0.00 -2.77 0.52 0.00 -0.04 0.00 0.00 33.50 31.21 3knj n PRO 131 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3knj n LYS 132 N 2.81 0.14 0.00 0.54 4.81 -1.26 0.35 118.16 125.55 3knj n LYS 132 Ca 0.11 0.58 0.14 0.00 -0.87 0.00 0.00 58.31 58.27 3knj n LYS 132 Cb 0.36 -1.90 0.65 0.00 0.02 0.00 0.00 35.03 34.16 3knj n LYS 132 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3knj n LYS 133 N -2.19 0.33 0.00 1.64 4.76 -1.26 -3.42 118.16 118.03 3knj n LYS 133 Ca -0.01 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3knj n LYS 133 Cb 0.07 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 3knj n LYS 133 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3knj n GLU 134 N -1.29 2.80 -0.07 1.97 -0.58 0.35 -4.36 120.64 119.46 3knj n GLU 134 Ca 0.12 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.78 3knj n GLU 134 Cb 0.28 -0.76 -0.01 0.00 -0.57 0.00 0.00 31.44 30.39 3knj n GLU 134 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3knj h GLN 135 N 0.00 0.10 0.00 3.49 4.20 0.60 0.17 115.11 123.66 3knj h GLN 135 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3knj h GLN 135 Cb 0.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3knj h GLN 135 CO 0.00 0.06 -0.10 0.28 -0.67 0.00 0.00 178.83 178.40 3knj h VAL 136 N 0.10 0.00 -0.00 -0.54 2.07 -1.79 -1.63 116.25 114.46 3knj h VAL 136 Ca 0.13 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 3knj h VAL 136 Cb 0.16 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3knj h VAL 136 CO -0.20 0.00 -0.59 -0.09 0.02 0.00 0.00 177.57 176.71 3knj h ARG 137 N 0.00 0.00 0.04 1.57 1.12 -1.27 0.31 114.38 116.15 3knj h ARG 137 Ca 0.00 -0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.70 3knj h ARG 137 Cb 0.80 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 3knj h ARG 137 CO 0.00 0.59 -0.91 -0.07 -3.11 0.00 0.00 179.97 176.47 3knj h LEU 138 N 0.00 0.12 -0.27 3.80 3.38 -0.63 -1.81 115.31 119.90 3knj h LEU 138 Ca -0.01 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 57.26 3knj h LEU 138 Cb 1.04 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 3knj h LEU 138 CO 0.08 1.37 -0.25 0.11 0.09 0.00 0.00 178.44 179.84 3knj h LYS 139 N -0.79 -0.24 -0.15 1.13 1.79 -1.24 0.37 116.57 117.44 3knj h LYS 139 Ca -0.23 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.27 3knj h LYS 139 Cb 1.35 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.04 3knj h LYS 139 CO -0.06 -0.16 0.07 1.25 -1.08 0.00 0.00 179.45 179.47 3knj h HIS 140 N -0.25 0.14 -0.50 -1.35 2.76 -0.51 -1.33 115.15 114.11 3knj h HIS 140 Ca 0.14 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.41 3knj h HIS 140 Cb 0.47 -0.04 -0.10 0.00 1.55 0.00 0.00 27.41 29.29 3knj h HIS 140 CO -0.41 0.08 -0.30 1.49 -1.30 0.00 0.00 177.93 177.48 3knj h GLU 141 N 0.16 -0.18 -0.93 5.26 4.81 -0.27 0.16 114.58 123.59 3knj h GLU 141 Ca 0.06 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3knj h GLU 141 Cb 0.01 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 3knj h GLU 141 CO -0.04 -0.12 0.60 1.25 -0.73 0.00 0.00 179.01 179.97 3knj h LEU 142 N -0.18 0.87 -0.48 1.64 5.85 0.27 0.32 115.31 123.60 3knj h LEU 142 Ca 0.21 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3knj h LEU 142 Cb 0.53 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 3knj h LEU 142 CO -0.60 0.52 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.22 3knj h GLU 143 N 0.97 -0.22 -0.04 1.25 4.39 0.45 2.72 114.58 124.10 3knj h GLU 143 Ca 0.43 0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.96 3knj h GLU 143 Cb 0.36 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3knj h GLU 143 CO -0.19 -0.15 -0.68 0.07 -1.16 0.00 0.00 179.01 176.91 3knj h ARG 144 N -0.23 0.52 -0.78 2.33 0.11 -1.44 0.46 114.38 115.35 3knj h ARG 144 Ca 0.08 -0.51 0.22 0.00 0.10 0.00 0.00 59.98 59.86 3knj h ARG 144 Cb 0.44 0.13 -0.04 0.00 1.11 0.00 0.00 29.97 31.62 3knj h ARG 144 CO -0.57 1.15 0.56 1.25 0.10 0.00 0.00 179.97 182.45 3knj h LEU 145 N 0.10 0.07 0.00 0.08 7.12 0.38 0.66 115.31 123.72 3knj h LEU 145 Ca -0.07 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.94 3knj h LEU 145 Cb 1.35 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.48 3knj h LEU 145 CO 0.14 0.03 -1.48 1.67 -0.13 0.00 0.00 178.44 178.66 3knj n GLN 146 N -4.34 0.40 0.08 1.25 7.27 0.91 -4.03 117.38 118.92 3knj n GLN 146 Ca 0.16 -0.09 -0.12 0.00 0.07 0.00 0.00 57.00 57.02 3knj n GLN 146 Cb 0.80 -1.54 -0.07 0.00 2.41 0.00 0.00 30.24 31.84 3knj n GLN 146 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3knj h LYS 147 N 0.00 0.27 0.00 3.69 3.64 0.26 -3.32 116.57 121.11 3knj h LYS 147 Ca 0.00 -0.35 -0.23 0.00 -1.27 0.00 0.00 60.65 58.80 3knj h LYS 147 Cb 0.81 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 3knj h LYS 147 CO 0.00 1.09 -2.12 0.66 -2.27 0.00 0.00 179.45 176.81 3knj n TYR 148 N -3.62 0.00 1.01 1.91 4.01 -0.53 -4.57 117.16 115.37 3knj n TYR 148 Ca -0.06 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.80 3knj n TYR 148 Cb 0.89 -0.75 0.24 0.00 -0.31 0.00 0.00 39.34 39.41 3knj n TYR 148 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3knj n LEU 149 N -2.52 0.55 0.00 7.72 4.77 -1.26 -4.75 117.00 121.52 3knj n LEU 149 Ca -0.22 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3knj n LEU 149 Cb 0.91 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3knj n LEU 149 CO 0.38 0.13 0.03 -1.20 -1.33 0.00 0.00 177.39 175.41 3knj n SER 150 N -1.45 0.00 -1.98 -1.43 7.64 -1.25 0.19 113.62 115.34 3knj n SER 150 Ca 0.06 0.06 -0.20 0.00 1.01 0.00 0.00 58.87 59.80 3knj n SER 150 Cb 0.34 -0.01 0.04 0.00 -1.01 0.00 0.00 64.21 63.57 3knj n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3knj n GLY 151 N -0.60 4.40 0.49 0.23 0.00 -1.26 -4.18 105.19 104.26 3knj n GLY 151 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 3knj n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3knj n PHE 152 N 0.16 0.00 -0.12 1.61 -0.00 0.13 -0.54 117.46 118.70 3knj n PHE 152 Ca 0.36 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 58.00 3knj n PHE 152 Cb 0.59 -0.40 0.30 0.00 -0.00 0.00 0.00 39.48 39.97 3knj n PHE 152 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3knj n ARG 153 N -3.95 0.01 -0.21 -4.13 1.74 -1.20 -1.19 116.66 107.73 3knj n ARG 153 Ca -0.17 0.79 -0.03 0.00 -0.77 0.00 0.00 57.85 57.68 3knj n ARG 153 Cb 0.45 -2.00 0.03 0.00 -1.02 0.00 0.00 32.46 29.93 3knj n ARG 153 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3knj h LEU 154 N 0.00 -0.93 -9.85 0.55 3.38 -1.86 -3.39 115.31 103.21 3knj h LEU 154 Ca 0.34 0.22 -0.53 0.00 0.09 0.00 0.00 57.88 57.99 3knj h LEU 154 Cb 2.22 0.51 -0.03 0.00 0.09 0.00 0.00 40.66 43.44 3knj h LEU 154 CO -0.00 -0.27 0.05 -0.76 0.09 0.00 0.00 178.44 177.54 3knj s LEU 155 N -10.79 4.33 -0.16 1.67 1.43 -0.33 -4.90 118.68 109.93 3knj s LEU 155 Ca -0.14 1.30 0.20 0.00 -1.03 0.00 0.00 54.13 54.46 3knj s LEU 155 Cb 0.18 -3.50 0.41 0.00 0.03 0.00 0.00 46.19 43.31 3knj s LEU 155 CO 0.71 0.05 1.18 0.29 0.23 0.00 0.00 176.35 178.81 3knj n LYS 156 N 0.72 0.93 -3.31 1.70 4.76 -1.26 -4.99 118.16 116.71 3knj n LYS 156 Ca -0.03 -2.42 0.02 0.00 -2.87 0.00 0.00 58.31 53.01 3knj n LYS 156 Cb 0.51 -0.57 -0.04 0.00 -1.84 0.00 0.00 35.03 33.09 3knj n LYS 156 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3knj s ARG 157 N -1.61 0.19 0.20 1.97 3.52 -1.26 -5.15 118.95 116.81 3knj s ARG 157 Ca 0.24 0.47 -0.21 0.00 -0.13 0.00 0.00 55.73 56.10 3knj s ARG 157 Cb 0.33 0.28 -0.13 0.00 -1.56 0.00 0.00 34.95 33.87 3knj s ARG 157 CO -0.09 -0.07 0.33 1.28 -0.81 0.00 0.00 175.30 175.94 3knj n LEU 158 N 4.84 -1.33 0.00 -0.88 4.32 -1.26 -4.93 117.00 117.76 3knj n LEU 158 Ca -0.08 0.84 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 3knj n LEU 158 Cb 0.54 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 3knj n LEU 158 CO -0.05 -2.64 0.00 -2.65 -1.22 0.00 0.00 177.39 170.83 3knj n PRO 159 N 0.87 0.33 0.00 3.23 -0.02 -1.26 -4.99 135.00 133.16 3knj n PRO 159 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3knj n PRO 159 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 3knj n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knj n ASP 160 N -1.22 1.40 -3.68 2.55 8.00 -1.19 -4.97 116.55 117.44 3knj n ASP 160 Ca 0.00 -0.03 -0.07 0.00 0.71 0.00 0.00 54.79 55.40 3knj n ASP 160 Cb 0.00 0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 3knj n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knj s ALA 161 N -0.62 -1.51 -0.22 2.24 0.00 -1.23 -4.24 121.76 116.18 3knj s ALA 161 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 3knj s ALA 161 Cb 0.00 0.74 0.10 0.00 0.00 0.00 0.00 23.12 23.96 3knj s ALA 161 CO 0.00 -0.93 0.46 0.96 0.00 0.00 0.00 175.76 176.25 3knj s ILE 162 N -3.60 -0.72 -0.43 0.00 -4.36 -1.19 -1.02 121.20 109.88 3knj s ILE 162 Ca 0.08 0.12 -0.13 0.00 -0.26 0.00 0.00 60.65 60.46 3knj s ILE 162 Cb -0.03 -0.74 0.05 0.00 1.25 0.00 0.00 42.46 42.99 3knj s ILE 162 CO -0.01 0.05 0.32 0.12 0.24 0.00 0.00 174.94 175.65 3knj s PHE 163 N 2.67 3.26 -0.14 1.37 2.19 -1.16 -1.10 117.98 125.08 3knj s PHE 163 Ca -0.01 -0.96 -0.05 0.00 0.33 0.00 0.00 56.93 56.23 3knj s PHE 163 Cb -0.12 -2.87 -0.04 0.00 -1.31 0.00 0.00 43.02 38.68 3knj s PHE 163 CO -0.14 -0.73 0.04 0.08 1.83 0.00 0.00 175.22 176.29 3knj s VAL 164 N 1.60 4.60 0.22 3.12 1.01 -1.22 -1.23 120.40 128.50 3knj s VAL 164 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3knj s VAL 164 Cb -0.22 -3.01 0.16 0.00 0.00 0.00 0.00 36.38 33.31 3knj s VAL 164 CO 0.07 0.53 1.83 -0.37 0.00 0.00 0.00 175.10 177.16 3knj h VAL 165 N 4.55 1.02 -2.01 2.92 -1.51 -1.42 -2.53 116.25 117.28 3knj h VAL 165 Ca -0.43 -0.27 -0.31 0.00 -1.23 0.00 0.00 66.70 64.45 3knj h VAL 165 Cb 1.19 0.15 -0.32 0.00 -2.13 0.00 0.00 31.29 30.18 3knj h VAL 165 CO 0.63 0.15 -0.63 -0.62 -1.23 0.00 0.00 177.57 175.86 3knj s ASP 166 N -5.68 1.30 0.00 4.19 3.68 -1.26 -4.44 116.67 114.46 3knj s ASP 166 Ca -0.13 -0.90 0.00 0.00 2.13 0.00 0.00 52.55 53.66 3knj s ASP 166 Cb 0.16 0.64 0.00 0.00 -1.45 0.00 0.00 42.92 42.27 3knj s ASP 166 CO 0.77 -0.35 0.71 -0.81 0.13 0.00 0.00 175.17 175.62 3knj n PRO 167 N 5.05 0.00 -0.18 4.34 -0.04 -1.26 -2.85 135.00 140.06 3knj n PRO 167 Ca 0.02 0.66 -0.05 0.00 -0.04 0.00 0.00 63.50 64.09 3knj n PRO 167 Cb 0.47 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 3knj n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3knj n THR 168 N -1.76 -0.29 -0.31 0.52 -2.24 -1.26 0.12 114.28 109.06 3knj n THR 168 Ca 0.00 1.47 0.27 0.00 -2.27 0.00 0.00 64.05 63.53 3knj n THR 168 Cb 0.00 -1.86 0.46 0.00 -2.10 0.00 0.00 70.33 66.83 3knj n THR 168 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3knj n LYS 169 N -4.01 -0.03 -2.96 -0.78 0.00 -1.13 0.17 118.16 109.41 3knj n LYS 169 Ca 0.01 0.90 -0.19 0.00 0.00 0.00 0.00 58.31 59.03 3knj n LYS 169 Cb 0.11 -1.74 -0.02 0.00 0.00 0.00 0.00 35.03 33.38 3knj n LYS 169 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3knj n GLU 170 N -4.20 1.69 0.18 1.64 4.71 0.32 -4.89 120.64 120.10 3knj n GLU 170 Ca 0.28 -3.76 0.03 0.00 -0.01 0.00 0.00 57.16 53.71 3knj n GLU 170 Cb 1.06 -1.77 0.35 0.00 -1.01 0.00 0.00 31.44 30.08 3knj n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3knj h ALA 171 N 2.96 1.23 -0.22 0.62 0.00 0.40 -1.39 119.26 122.87 3knj h ALA 171 Ca 0.08 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3knj h ALA 171 Cb 0.91 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3knj h ALA 171 CO 0.60 0.49 0.34 0.82 0.00 0.00 0.00 179.25 181.50 3knj h ILE 172 N 0.00 0.26 0.00 0.00 5.03 -1.85 0.83 117.51 121.78 3knj h ILE 172 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 3knj h ILE 172 Cb 0.75 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 3knj h ILE 172 CO 0.05 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.52 3knj n ALA 173 N -2.19 -0.23 0.00 1.87 0.00 -0.52 -0.50 120.51 118.94 3knj n ALA 173 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3knj n ALA 173 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3knj n ALA 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knj n VAL 174 N -1.77 0.83 -0.08 0.00 0.31 0.21 0.70 118.33 118.51 3knj n VAL 174 Ca 0.00 0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 64.51 3knj n VAL 174 Cb 0.00 -1.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 3knj n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knj n ARG 175 N -1.15 1.20 0.13 5.55 0.63 0.27 -3.21 116.66 120.09 3knj n ARG 175 Ca 0.00 0.01 0.08 0.00 -0.92 0.00 0.00 57.85 57.02 3knj n ARG 175 Cb 0.07 -1.42 0.04 0.00 0.45 0.00 0.00 32.46 31.60 3knj n ARG 175 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3knj h GLU 176 N 0.00 0.00 0.05 -0.14 4.81 0.29 -3.24 114.58 116.36 3knj h GLU 176 Ca -0.45 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.44 3knj h GLU 176 Cb 1.98 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.32 3knj h GLU 176 CO 0.01 0.14 -1.97 0.00 -0.73 0.00 0.00 179.01 176.46 3knj n ALA 177 N -2.20 1.25 0.30 2.92 0.00 0.70 -3.72 120.51 119.76 3knj n ALA 177 Ca -0.00 -0.79 0.18 0.00 0.00 0.00 0.00 53.44 52.83 3knj n ALA 177 Cb 0.63 -0.64 0.87 0.00 0.00 0.00 0.00 19.45 20.31 3knj n ALA 177 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knj h ARG 178 N 0.03 0.00 0.00 0.00 9.65 -1.67 0.17 114.38 122.56 3knj h ARG 178 Ca -0.40 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.41 3knj h ARG 178 Cb 2.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.61 3knj h ARG 178 CO 0.06 0.00 -0.55 -0.22 2.80 0.00 0.00 179.97 182.06 3knj h LYS 179 N 0.00 0.00 -0.59 0.20 3.64 -1.65 -3.21 116.57 114.96 3knj h LYS 179 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 3knj h LYS 179 Cb 0.22 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.87 3knj h LYS 179 CO 0.00 0.27 0.20 1.28 -2.27 0.00 0.00 179.45 178.93 3knj n LEU 180 N -3.08 5.14 -3.93 5.20 4.77 0.44 -4.94 117.00 120.60 3knj n LEU 180 Ca 0.01 -3.65 -0.25 0.00 -0.03 0.00 0.00 56.01 52.08 3knj n LEU 180 Cb 0.67 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 3knj n LEU 180 CO 0.39 1.14 -0.35 0.49 -1.33 0.00 0.00 177.39 177.72 3knj n PHE 181 N -1.04 -0.99 -3.47 -1.77 3.72 -0.65 -4.87 117.46 108.39 3knj n PHE 181 Ca 0.42 0.49 -0.43 0.00 -0.05 0.00 0.00 57.45 57.88 3knj n PHE 181 Cb 1.27 -2.14 -0.07 0.00 -0.94 0.00 0.00 39.48 37.60 3knj n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3knj s ILE 182 N -3.97 4.58 -0.33 4.37 1.01 -0.29 -5.02 121.20 121.55 3knj s ILE 182 Ca 0.06 -1.74 -0.29 0.00 0.00 0.00 0.00 60.65 58.68 3knj s ILE 182 Cb -0.04 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.33 3knj s ILE 182 CO 0.79 -0.82 1.38 -2.65 0.00 0.00 0.00 174.94 173.64 3knj n PRO 183 N 4.96 0.00 -2.56 2.79 -0.02 -1.26 -4.48 135.00 134.42 3knj n PRO 183 Ca -0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 3knj n PRO 183 Cb 0.41 -1.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.86 3knj n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3knj s VAL 184 N 3.76 4.48 -0.43 -1.45 1.01 -1.26 -3.19 120.40 123.32 3knj s VAL 184 Ca 0.79 1.78 0.02 0.00 0.00 0.00 0.00 61.98 64.57 3knj s VAL 184 Cb -1.00 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 31.39 3knj s VAL 184 CO 0.45 0.05 0.28 -0.63 0.00 0.00 0.00 175.10 175.25 3knj s ILE 185 N 1.75 0.80 0.32 2.22 1.01 -0.25 -1.11 121.20 125.93 3knj s ILE 185 Ca 0.53 -2.47 0.03 0.00 0.00 0.00 0.00 60.65 58.75 3knj s ILE 185 Cb -0.23 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3knj s ILE 185 CO 0.23 -1.04 0.09 0.00 0.00 0.00 0.00 174.94 174.21 3knj s ALA 186 N 0.33 2.23 -0.34 9.38 0.00 -0.14 -3.30 121.76 129.92 3knj s ALA 186 Ca 0.23 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 3knj s ALA 186 Cb -0.13 0.82 0.08 0.00 0.00 0.00 0.00 23.12 23.89 3knj s ALA 186 CO -0.07 -0.37 0.06 -1.17 0.00 0.00 0.00 175.76 174.21 3knj s LEU 187 N -3.44 4.45 0.00 0.00 1.98 -0.95 -1.30 118.68 119.42 3knj s LEU 187 Ca 0.35 -1.69 0.00 0.00 -2.89 0.00 0.00 54.13 49.90 3knj s LEU 187 Cb 0.07 -1.72 0.00 0.00 0.66 0.00 0.00 46.19 45.21 3knj s LEU 187 CO 0.15 -0.37 0.00 0.00 -1.89 0.00 0.00 176.35 174.24 3knj n ALA 188 N 4.53 0.00 0.00 5.97 0.00 -1.15 -4.18 120.51 125.68 3knj n ALA 188 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3knj n ALA 188 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3knj n ALA 188 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3knj n ASP 189 N 0.00 0.00 0.11 0.00 5.75 -1.25 -2.77 116.55 118.39 3knj n ASP 189 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 3knj n ASP 189 Cb 0.00 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.22 3knj n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3knj h THR 190 N 0.00 0.00 -0.24 2.12 1.35 -1.94 -3.27 112.91 110.93 3knj h THR 190 Ca 0.00 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 65.05 3knj h THR 190 Cb 0.00 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 3knj h THR 190 CO 0.00 0.00 -0.07 -0.78 -0.25 0.00 0.00 175.52 174.42 3knj h ASP 191 N 0.00 0.35 -2.34 5.36 -0.00 -1.90 -3.07 116.42 114.82 3knj h ASP 191 Ca 0.00 -0.07 -0.57 0.00 -0.00 0.00 0.00 57.03 56.40 3knj h ASP 191 Cb 0.88 -0.09 -0.14 0.00 -0.00 0.00 0.00 39.33 39.98 3knj h ASP 191 CO 0.00 0.47 -0.65 -0.44 -0.00 0.00 0.00 179.24 178.61 3knj s SER 192 N -6.81 3.31 -0.18 2.28 0.01 -1.23 -4.86 113.70 106.21 3knj s SER 192 Ca -0.06 -1.25 -0.04 0.00 1.31 0.00 0.00 55.95 55.90 3knj s SER 192 Cb 0.15 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 3knj s SER 192 CO 0.75 -0.34 -0.03 1.51 0.41 0.00 0.00 173.24 175.54 3knj s ASP 193 N -3.56 4.75 0.00 2.44 3.84 -1.26 -4.62 116.67 118.25 3knj s ASP 193 Ca 0.33 -0.18 0.00 0.00 -0.00 0.00 0.00 52.55 52.69 3knj s ASP 193 Cb 0.05 -1.79 0.00 0.00 -1.38 0.00 0.00 42.92 39.80 3knj s ASP 193 CO 0.15 0.11 0.00 -0.81 -0.00 0.00 0.00 175.17 174.62 3knj n PRO 194 N 3.92 0.00 0.00 2.11 -0.04 -1.26 -4.17 135.00 135.56 3knj n PRO 194 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3knj n PRO 194 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3knj n PRO 194 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3knj n ASP 195 N 0.00 0.00 -0.33 3.54 9.92 -1.26 -2.73 116.55 125.69 3knj n ASP 195 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3knj n ASP 195 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3knj n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3knj n LEU 196 N 0.00 0.16 -3.96 0.64 -0.00 -1.26 -4.56 117.00 108.01 3knj n LEU 196 Ca 0.00 -0.08 -0.19 0.00 -0.00 0.00 0.00 56.01 55.74 3knj n LEU 196 Cb 0.00 -0.08 -0.15 0.00 -0.00 0.00 0.00 43.42 43.19 3knj n LEU 196 CO 0.00 0.04 -0.42 -0.69 -0.00 0.00 0.00 177.39 176.32 3knj s VAL 197 N -1.34 0.60 -0.00 1.47 1.01 -1.11 -4.91 120.40 116.13 3knj s VAL 197 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 3knj s VAL 197 Cb 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 3knj s VAL 197 CO 0.00 0.20 -0.00 0.44 0.00 0.00 0.00 175.10 175.74 3knj h ASP 198 N 6.42 0.00 -3.07 3.32 3.45 -1.71 -3.44 116.42 121.39 3knj h ASP 198 Ca -0.33 0.00 -0.74 0.00 0.43 0.00 0.00 57.03 56.39 3knj h ASP 198 Cb 1.17 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.72 3knj h ASP 198 CO 0.49 0.01 -0.13 -0.31 -1.57 0.00 0.00 179.24 177.73 3knj s TYR 199 N -1.02 3.17 0.23 4.55 1.51 -0.27 -5.01 117.35 120.52 3knj s TYR 199 Ca -0.00 -1.14 0.04 0.00 -1.01 0.00 0.00 57.07 54.97 3knj s TYR 199 Cb 0.00 -3.78 -0.03 0.00 -0.11 0.00 0.00 41.96 38.04 3knj s TYR 199 CO 0.00 -1.07 0.36 0.42 -1.11 0.00 0.00 175.55 174.15 3knj s ILE 200 N 1.93 5.26 -0.38 2.71 1.01 -1.26 -0.97 121.20 129.52 3knj s ILE 200 Ca 0.06 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3knj s ILE 200 Cb -0.27 -3.84 0.15 0.00 0.01 0.00 0.00 42.46 38.51 3knj s ILE 200 CO 0.05 -0.30 0.27 -0.63 0.00 0.00 0.00 174.94 174.33 3knj s ILE 201 N -1.96 0.15 -0.18 2.92 -1.09 -0.42 -4.55 121.20 116.09 3knj s ILE 201 Ca 0.34 -1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 56.49 3knj s ILE 201 Cb -0.09 -1.11 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 3knj s ILE 201 CO 0.29 -1.04 1.79 -2.16 -1.23 0.00 0.00 174.94 172.59 3knj s PRO 202 N 0.74 3.73 0.00 2.79 0.04 -1.26 -2.92 135.00 138.11 3knj s PRO 202 Ca 0.23 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3knj s PRO 202 Cb -0.13 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.29 3knj s PRO 202 CO -0.07 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 175.99 3knj n GLY 203 N 4.85 2.22 3.86 0.56 0.00 -1.12 -4.69 105.19 110.88 3knj n GLY 203 Ca 0.21 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3knj n GLY 203 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3knj s ASN 204 N 2.00 6.68 0.00 1.61 2.47 -1.26 -3.78 114.94 122.67 3knj s ASN 204 Ca 0.00 1.06 0.00 0.00 0.42 0.00 0.00 52.86 54.34 3knj s ASN 204 Cb 0.00 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 3knj s ASN 204 CO 0.00 -0.12 0.00 -0.90 -3.72 0.00 0.00 177.10 172.36 3knj n ASP 205 N -0.21 1.52 -1.33 -4.21 5.75 -1.26 -4.59 116.55 112.22 3knj n ASP 205 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.90 3knj n ASP 205 Cb 0.53 0.27 0.31 0.00 -1.03 0.00 0.00 41.12 41.20 3knj n ASP 205 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3knj n ASP 206 N -0.56 3.88 -3.98 -1.12 8.00 -1.26 -4.82 116.55 116.69 3knj n ASP 206 Ca 0.00 -2.07 -0.31 0.00 0.71 0.00 0.00 54.79 53.12 3knj n ASP 206 Cb 0.03 -0.48 -0.15 0.00 -0.02 0.00 0.00 41.12 40.50 3knj n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knj s ALA 207 N -1.19 2.38 0.00 2.24 0.00 -1.26 -4.91 121.76 119.01 3knj s ALA 207 Ca 0.47 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3knj s ALA 207 Cb 0.26 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3knj s ALA 207 CO 0.30 -1.40 0.36 -0.89 0.00 0.00 0.00 175.76 174.14 3knj n ILE 208 N 4.49 0.00 0.00 0.00 5.41 -1.26 -1.98 119.36 126.02 3knj n ILE 208 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3knj n ILE 208 Cb 0.43 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 3knj n ILE 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3knj n ARG 209 N 2.61 0.00 0.07 0.38 5.12 -1.26 -4.58 116.66 119.00 3knj n ARG 209 Ca 0.00 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.72 3knj n ARG 209 Cb 0.00 -0.49 -0.15 0.00 -1.16 0.00 0.00 32.46 30.67 3knj n ARG 209 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3knj h SER 210 N 0.00 0.52 -0.88 0.55 0.02 -1.66 -2.91 113.55 109.20 3knj h SER 210 Ca 0.00 -0.77 0.24 0.00 -0.84 0.00 0.00 61.79 60.42 3knj h SER 210 Cb 0.65 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 3knj h SER 210 CO 0.00 1.64 0.62 0.40 -1.14 0.00 0.00 176.83 178.35 3knj h ILE 211 N 0.09 0.59 0.00 3.27 2.04 -1.80 -1.87 117.51 119.83 3knj h ILE 211 Ca -0.30 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3knj h ILE 211 Cb 2.07 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3knj h ILE 211 CO 0.17 0.02 -0.36 1.67 0.00 0.00 0.00 178.15 179.65 3knj n GLN 212 N -4.34 0.29 0.03 2.37 0.00 -1.24 -3.45 117.38 111.04 3knj n GLN 212 Ca 0.18 0.38 0.01 0.00 -0.00 0.00 0.00 57.00 57.58 3knj n GLN 212 Cb 0.88 -1.31 0.06 0.00 0.00 0.00 0.00 30.24 29.87 3knj n GLN 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3knj n LEU 213 N -3.74 0.06 -0.11 1.69 0.00 -1.10 -0.19 117.00 113.61 3knj n LEU 213 Ca -0.05 0.33 -0.23 0.00 0.00 0.00 0.00 56.01 56.06 3knj n LEU 213 Cb 0.19 -0.32 -0.08 0.00 0.00 0.00 0.00 43.42 43.21 3knj n LEU 213 CO 0.08 -0.35 -1.19 -0.38 0.00 0.00 0.00 177.39 175.54 3knj n ILE 214 N -1.42 1.36 -0.19 1.96 2.08 -0.71 -3.76 119.36 118.67 3knj n ILE 214 Ca -0.00 -0.24 -0.01 0.00 0.56 0.00 0.00 62.75 63.06 3knj n ILE 214 Cb 0.24 -1.91 0.10 0.00 -0.75 0.00 0.00 39.64 37.32 3knj n ILE 214 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3knj h LEU 215 N -0.87 0.18 0.17 1.39 3.38 -1.39 -2.73 115.31 115.45 3knj h LEU 215 Ca -0.50 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3knj h LEU 215 Cb 1.41 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 3knj h LEU 215 CO -0.30 0.12 -0.43 -1.28 0.09 0.00 0.00 178.44 176.63 3knj h SER 216 N 0.38 -1.27 0.00 -0.43 0.87 -0.79 -1.59 113.55 110.72 3knj h SER 216 Ca 0.29 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 3knj h SER 216 Cb 0.36 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3knj h SER 216 CO -0.30 -0.48 0.01 0.03 -0.53 0.00 0.00 176.83 175.56 3knj h ARG 217 N -0.66 0.00 0.05 2.24 2.47 -1.61 -0.98 114.38 115.89 3knj h ARG 217 Ca -0.02 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.40 3knj h ARG 217 Cb 0.64 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.93 3knj h ARG 217 CO -0.19 0.00 -1.68 0.00 0.56 0.00 0.00 179.97 178.65 3knj h ALA 218 N 1.97 0.57 -0.17 0.04 0.00 -1.18 -3.19 119.26 117.30 3knj h ALA 218 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 54.91 53.48 3knj h ALA 218 Cb 0.03 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3knj h ALA 218 CO 0.00 1.41 -0.31 0.28 0.00 0.00 0.00 179.25 180.63 3knj h VAL 219 N 0.03 1.27 0.48 0.00 2.07 -0.28 0.15 116.25 119.98 3knj h VAL 219 Ca -0.29 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3knj h VAL 219 Cb 2.00 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 3knj h VAL 219 CO 0.10 0.41 -0.34 0.44 0.02 0.00 0.00 177.57 178.20 3knj h ASP 220 N 0.29 -0.88 -0.85 0.57 3.32 -1.31 -2.76 116.42 114.81 3knj h ASP 220 Ca 0.04 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.21 3knj h ASP 220 Cb 0.70 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 3knj h ASP 220 CO 0.05 -0.51 0.56 -0.07 -1.72 0.00 0.00 179.24 177.55 3knj h LEU 221 N -0.80 0.85 -0.22 1.55 -0.00 -1.40 0.17 115.31 115.47 3knj h LEU 221 Ca -0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.88 3knj h LEU 221 Cb 0.67 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 41.10 3knj h LEU 221 CO 0.02 0.56 -0.09 0.40 -0.00 0.00 0.00 178.44 179.33 3knj h ILE 222 N 0.98 0.70 -0.01 1.22 2.04 -0.43 -2.82 117.51 119.18 3knj h ILE 222 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 3knj h ILE 222 Cb 0.16 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3knj h ILE 222 CO -0.12 0.00 -0.36 2.30 0.00 0.00 0.00 178.15 179.97 3knj n ILE 223 N -5.25 0.00 -0.02 -0.67 -5.35 -1.09 -3.76 119.36 103.22 3knj n ILE 223 Ca -0.02 -0.23 -0.16 0.00 -0.27 0.00 0.00 62.75 62.07 3knj n ILE 223 Cb 0.17 0.96 -0.13 0.00 -1.74 0.00 0.00 39.64 38.90 3knj n ILE 223 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3knj h GLN 224 N 2.19 0.13 0.00 6.28 -0.00 -0.45 0.20 115.11 123.45 3knj h GLN 224 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 3knj h GLN 224 Cb 0.68 0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.23 3knj h GLN 224 CO 0.00 1.05 0.00 0.00 0.00 0.00 0.00 178.83 179.88 3knj n ALA 225 N -2.61 1.72 0.51 3.38 0.00 -1.08 -0.17 120.51 122.26 3knj n ALA 225 Ca -0.11 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.39 3knj n ALA 225 Cb 0.59 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 3knj n ALA 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knj n ARG 226 N -1.53 0.33 -0.22 0.00 0.63 -1.13 -4.61 116.66 110.13 3knj n ARG 226 Ca 0.04 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3knj n ARG 226 Cb 0.19 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.52 3knj n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3knj n GLY 227 N 1.36 -0.17 0.00 5.14 0.00 0.76 -5.04 105.19 107.25 3knj n GLY 227 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3knj n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knj n GLY 228 N 2.15 0.60 2.12 -0.02 0.00 -1.24 -4.86 105.19 103.94 3knj n GLY 228 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3knj n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 229 N 0.00 0.65 -3.26 1.61 0.31 -1.26 -4.93 118.33 111.44 3knj n VAL 229 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3knj n VAL 229 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knj n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3knj n VAL 230 N -0.47 0.00 -3.30 2.52 0.24 -1.26 -5.11 118.33 110.95 3knj n VAL 230 Ca 0.08 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.04 3knj n VAL 230 Cb 0.23 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.54 3knj n VAL 230 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3knj s GLU 231 N 0.21 3.99 0.33 7.34 -1.05 -1.26 -5.01 118.70 123.25 3knj s GLU 231 Ca 0.00 0.53 -0.29 0.00 -0.15 0.00 0.00 54.97 55.06 3knj s GLU 231 Cb 0.00 -2.79 -0.11 0.00 -0.44 0.00 0.00 34.13 30.79 3knj s GLU 231 CO 0.00 0.39 1.56 -2.14 0.95 0.00 0.00 175.26 176.01 3knj s PRO 232 N -2.29 4.11 0.77 -4.83 0.02 -1.26 -4.94 135.00 126.59 3knj s PRO 232 Ca 0.43 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.92 3knj s PRO 232 Cb -0.14 -3.00 0.05 0.00 0.02 0.00 0.00 34.50 31.44 3knj s PRO 232 CO 0.20 -0.60 1.11 0.45 -0.33 0.00 0.00 177.00 177.83 3knj s SER 233 N 0.25 4.81 -0.34 2.53 0.15 -1.26 -4.90 113.70 114.95 3knj s SER 233 Ca 0.59 1.14 -0.45 0.00 0.70 0.00 0.00 55.95 57.93 3knj s SER 233 Cb -0.47 -1.86 -0.20 0.00 -1.71 0.00 0.00 66.02 61.78 3knj s SER 233 CO 0.54 -1.75 1.44 -0.81 1.20 0.00 0.00 173.24 173.86 3knj n PRO 234 N -3.27 0.03 0.00 5.44 -0.04 -1.26 -4.86 135.00 131.04 3knj n PRO 234 Ca 0.07 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3knj n PRO 234 Cb 0.57 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3knj n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3knj n SER 235 N 3.25 4.81 -2.40 3.54 3.41 -1.26 -4.81 113.62 120.16 3knj n SER 235 Ca 0.27 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.55 3knj n SER 235 Cb -0.01 0.53 0.06 0.00 -0.26 0.00 0.00 64.21 64.53 3knj n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3knj n TYR 236 N -1.89 2.86 -0.22 7.33 4.02 -1.26 -4.76 117.16 123.25 3knj n TYR 236 Ca 0.00 -2.69 0.21 0.00 -0.01 0.00 0.00 57.90 55.42 3knj n TYR 236 Cb 0.43 -1.33 0.39 0.00 -0.02 0.00 0.00 39.34 38.81 3knj n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3knj n ALA 237 N -0.57 0.69 -2.67 -0.72 0.00 -1.26 -3.04 120.51 112.94 3knj n ALA 237 Ca 0.56 0.66 -0.04 0.00 0.00 0.00 0.00 53.44 54.62 3knj n ALA 237 Cb 0.56 -0.67 0.08 0.00 0.00 0.00 0.00 19.45 19.42 3knj n ALA 237 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3knj n LEU 238 N -4.44 -1.30 -4.55 0.00 -0.00 -1.26 -5.12 117.00 100.33 3knj n LEU 238 Ca 0.25 -2.03 -0.34 0.00 -0.00 0.00 0.00 56.01 53.89 3knj n LEU 238 Cb 0.86 0.92 -0.04 0.00 -0.00 0.00 0.00 43.42 45.15 3knj n LEU 238 CO 0.01 1.51 1.46 -0.69 -0.00 0.00 0.00 177.39 179.69 3knj s VAL 239 N 0.06 3.46 0.00 1.47 1.01 -1.17 -4.69 120.40 120.54 3knj s VAL 239 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3knj s VAL 239 Cb 0.24 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3knj s VAL 239 CO -0.14 -1.07 0.00 0.00 0.00 0.00 0.00 175.10 173.89 3knj n GLN 240 N 9.05 0.00 0.00 2.72 6.02 -1.26 -5.12 117.38 128.79 3knj n GLN 240 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 3knj n GLN 240 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 3knj n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14