#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkc s GLN 15 N 0.00 4.22 0.52 3.69 2.00 -1.26 -4.96 119.66 123.87 1kkc s GLN 15 Ca 0.00 2.06 -0.22 0.00 -2.00 0.00 0.00 55.36 55.21 1kkc s GLN 15 Cb 0.00 -3.78 -0.06 0.00 0.80 0.00 0.00 33.01 29.97 1kkc s GLN 15 CO 0.00 -0.73 1.28 0.71 -0.50 0.00 0.00 175.29 176.05 1kkc s TYR 16 N 3.29 2.49 0.16 1.67 2.02 -1.26 -5.04 117.35 120.68 1kkc s TYR 16 Ca 0.68 1.44 0.02 0.00 -0.37 0.00 0.00 57.07 58.84 1kkc s TYR 16 Cb -0.32 -3.63 -0.05 0.00 -0.40 0.00 0.00 41.96 37.56 1kkc s TYR 16 CO 0.27 -2.37 -0.02 0.95 -1.57 0.00 0.00 175.55 172.80 1kkc s THR 17 N -1.41 0.75 -0.25 -0.71 -4.23 -1.26 -4.91 115.64 103.63 1kkc s THR 17 Ca 0.69 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 1kkc s THR 17 Cb -0.36 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1kkc s THR 17 CO 0.42 -0.58 1.36 -0.22 -0.54 0.00 0.00 174.62 175.06 1kkc s LEU 18 N -3.15 3.97 0.10 4.79 2.96 -1.26 -4.98 118.68 121.11 1kkc s LEU 18 Ca 0.21 1.43 -0.31 0.00 -0.22 0.00 0.00 54.13 55.24 1kkc s LEU 18 Cb 0.05 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 1kkc s LEU 18 CO 0.02 -1.03 1.35 -2.16 -1.32 0.00 0.00 176.35 173.22 1kkc s PRO 19 N 4.09 4.34 0.80 0.98 0.04 -1.26 -4.98 135.00 139.01 1kkc s PRO 19 Ca 0.59 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 1kkc s PRO 19 Cb -0.20 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.15 1kkc s PRO 19 CO 0.22 -0.41 1.19 -2.14 0.04 0.00 0.00 177.00 175.90 1kkc s PRO 20 N 1.13 1.73 0.55 0.56 0.02 -1.26 -4.96 135.00 132.76 1kkc s PRO 20 Ca 0.63 1.68 -0.17 0.00 0.02 0.00 0.00 61.00 63.16 1kkc s PRO 20 Cb -0.35 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 1kkc s PRO 20 CO 0.30 -2.13 1.05 -0.51 -0.33 0.00 0.00 177.00 175.38 1kkc s LEU 21 N -5.71 3.62 -0.01 -5.54 1.43 -1.26 -4.93 118.68 106.28 1kkc s LEU 21 Ca 0.71 1.84 0.09 0.00 -1.03 0.00 0.00 54.13 55.74 1kkc s LEU 21 Cb -0.27 -4.54 0.28 0.00 0.03 0.00 0.00 46.19 41.69 1kkc s LEU 21 CO 0.50 -1.00 1.20 -0.81 0.23 0.00 0.00 176.35 176.47 1kkc n PRO 22 N -1.64 1.84 -3.48 1.29 -0.04 -1.26 -4.86 135.00 126.85 1kkc n PRO 22 Ca 0.09 -1.13 -0.11 0.00 -0.04 0.00 0.00 63.50 62.30 1kkc n PRO 22 Cb 0.53 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1kkc n PRO 22 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1kkc s TYR 23 N -1.61 -0.48 0.78 0.54 -0.85 -1.26 -5.12 117.35 109.35 1kkc s TYR 23 Ca 0.21 0.25 -0.14 0.00 -0.52 0.00 0.00 57.07 56.87 1kkc s TYR 23 Cb 0.12 0.58 0.05 0.00 0.38 0.00 0.00 41.96 43.08 1kkc s TYR 23 CO 0.13 -0.87 1.06 -2.30 -1.52 0.00 0.00 175.55 172.05 1kkc n PRO 24 N -0.38 0.29 0.28 -3.49 -0.02 -1.26 -4.88 135.00 125.54 1kkc n PRO 24 Ca -0.15 0.17 0.19 0.00 -2.02 0.00 0.00 63.50 61.69 1kkc n PRO 24 Cb 0.64 -2.32 0.98 0.00 -0.02 0.00 0.00 33.50 32.79 1kkc n PRO 24 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1kkc h TYR 25 N -0.67 0.00 -0.24 6.00 0.05 -1.97 -1.68 116.97 118.46 1kkc h TYR 25 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1kkc h TYR 25 Cb 1.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1kkc h TYR 25 CO 0.43 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 177.14 1kkc n ASP 26 N -2.84 2.78 0.21 3.88 5.75 -1.26 -3.94 116.55 121.13 1kkc n ASP 26 Ca -0.02 -1.82 0.15 0.00 -0.01 0.00 0.00 54.79 53.09 1kkc n ASP 26 Cb 0.09 -0.15 0.70 0.00 -1.03 0.00 0.00 41.12 40.73 1kkc n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kkc h ALA 27 N 3.03 1.00 -0.58 2.12 0.00 -1.64 -2.73 119.26 120.46 1kkc h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kkc h ALA 27 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kkc h ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1kkc n LEU 28 N -2.58 3.72 -4.80 0.00 4.77 -1.26 -4.35 117.00 112.50 1kkc n LEU 28 Ca -0.00 -1.80 -0.33 0.00 -0.03 0.00 0.00 56.01 53.85 1kkc n LEU 28 Cb 0.16 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1kkc n LEU 28 CO 0.18 0.88 0.72 -1.10 -1.33 0.00 0.00 177.39 176.74 1kkc s GLN 29 N -1.19 3.48 -0.08 3.23 -0.21 -1.03 -1.25 119.66 122.62 1kkc s GLN 29 Ca 0.44 1.26 0.08 0.00 0.02 0.00 0.00 55.36 57.16 1kkc s GLN 29 Cb 0.24 -2.05 0.36 0.00 1.00 0.00 0.00 33.01 32.55 1kkc s GLN 29 CO 0.32 -0.69 1.13 -0.35 -2.12 0.00 0.00 175.29 173.58 1kkc n PRO 30 N -1.68 2.49 0.10 2.91 -0.04 -1.26 -4.86 135.00 132.66 1kkc n PRO 30 Ca 0.09 -1.38 -0.18 0.00 -0.04 0.00 0.00 63.50 61.99 1kkc n PRO 30 Cb 0.53 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1kkc n PRO 30 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1kkc h TYR 31 N 1.89 0.58 -3.25 0.54 0.05 -1.52 -3.43 116.97 111.83 1kkc h TYR 31 Ca 0.00 -0.42 -0.36 0.00 0.05 0.00 0.00 58.73 57.99 1kkc h TYR 31 Cb 0.96 -0.02 -0.39 0.00 1.01 0.00 0.00 36.73 38.29 1kkc h TYR 31 CO 0.42 1.37 -0.72 0.42 -1.05 0.00 0.00 178.16 178.59 1kkc s ILE 32 N -2.63 -0.14 0.85 -2.88 1.01 -0.49 -4.80 121.20 112.12 1kkc s ILE 32 Ca -0.06 0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 1kkc s ILE 32 Cb 0.06 -0.21 0.11 0.00 0.01 0.00 0.00 42.46 42.43 1kkc s ILE 32 CO 0.89 0.14 1.12 -0.94 0.00 0.00 0.00 174.94 176.14 1kkc s SER 33 N 2.19 3.63 0.23 3.58 1.04 -1.26 -3.04 113.70 120.08 1kkc s SER 33 Ca 0.04 1.98 -0.04 0.00 0.48 0.00 0.00 55.95 58.42 1kkc s SER 33 Cb -0.12 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.71 1kkc s SER 33 CO -0.04 -2.62 1.72 -0.61 0.98 0.00 0.00 173.24 172.67 1kkc h GLN 34 N -1.53 0.89 -0.39 4.02 4.15 -1.90 -1.78 115.11 118.58 1kkc h GLN 34 Ca -0.44 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 58.73 1kkc h GLN 34 Cb 1.25 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1kkc h GLN 34 CO 0.47 0.89 0.25 0.37 -1.93 0.00 0.00 178.83 178.87 1kkc h GLN 35 N 0.83 0.52 0.02 1.69 4.15 -1.92 -0.39 115.11 120.00 1kkc h GLN 35 Ca 0.16 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1kkc h GLN 35 Cb 0.49 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1kkc h GLN 35 CO 0.02 0.36 -0.01 0.82 -1.93 0.00 0.00 178.83 178.09 1kkc h ILE 36 N 0.52 1.06 -0.60 2.39 2.04 -1.88 -1.79 117.51 119.25 1kkc h ILE 36 Ca 0.14 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1kkc h ILE 36 Cb -0.03 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1kkc h ILE 36 CO -0.03 0.07 0.25 0.24 0.00 0.00 0.00 178.15 178.68 1kkc h MET 37 N -0.15 0.43 0.12 2.37 2.86 -1.09 0.54 114.93 120.01 1kkc h MET 37 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1kkc h MET 37 Cb 0.14 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1kkc h MET 37 CO 0.01 0.29 -0.06 0.93 1.06 0.00 0.00 176.91 179.14 1kkc h GLU 38 N 0.45 -0.15 -0.40 1.72 5.08 -0.96 -1.56 114.58 118.76 1kkc h GLU 38 Ca 0.30 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1kkc h GLU 38 Cb 0.33 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1kkc h GLU 38 CO -0.27 0.01 0.07 -0.07 -1.00 0.00 0.00 179.01 177.75 1kkc h LEU 39 N -0.29 0.63 -1.06 1.33 3.38 -0.94 0.13 115.31 118.49 1kkc h LEU 39 Ca -0.02 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1kkc h LEU 39 Cb 0.23 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1kkc h LEU 39 CO 0.03 0.72 0.63 -0.74 0.09 0.00 0.00 178.44 179.17 1kkc h HIS 40 N 0.50 1.20 0.00 1.13 2.76 0.10 0.17 115.15 121.00 1kkc h HIS 40 Ca 0.12 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1kkc h HIS 40 Cb 0.36 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 1kkc h HIS 40 CO 0.02 0.74 -0.28 1.25 -1.30 0.00 0.00 177.93 178.37 1kkc h HIS 41 N 1.28 0.00 0.00 5.26 -0.00 -1.22 -1.44 115.15 119.03 1kkc h HIS 41 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 1kkc h HIS 41 Cb -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1kkc h HIS 41 CO -0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.93 178.80 1kkc h LYS 42 N -1.00 0.00 0.00 5.26 1.57 -0.82 -2.37 116.57 119.21 1kkc h LYS 42 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kkc h LYS 42 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1kkc h LYS 42 CO -0.00 0.00 -0.29 1.63 -0.57 0.00 0.00 179.45 180.22 1kkc n LYS 43 N -2.95 0.15 0.22 3.15 4.76 -0.00 -4.43 118.16 119.06 1kkc n LYS 43 Ca 0.01 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 1kkc n LYS 43 Cb 0.30 -0.66 -0.08 0.00 -1.84 0.00 0.00 35.03 32.75 1kkc n LYS 43 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1kkc h HIS 44 N -0.29 -0.52 -0.64 2.13 3.86 -1.47 -1.11 115.15 117.11 1kkc h HIS 44 Ca 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1kkc h HIS 44 Cb 0.29 0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 1kkc h HIS 44 CO -0.12 -0.21 0.29 1.25 0.86 0.00 0.00 177.93 179.99 1kkc h HIS 45 N -0.81 0.94 -0.85 2.45 -0.00 -1.24 -2.13 115.15 113.50 1kkc h HIS 45 Ca -0.06 -0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.30 1kkc h HIS 45 Cb 0.55 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.62 1kkc h HIS 45 CO 0.00 0.72 0.56 0.37 -0.00 0.00 0.00 177.93 179.58 1kkc h GLN 46 N 0.88 1.01 -0.62 5.26 5.75 -1.43 -1.59 115.11 124.37 1kkc h GLN 46 Ca 0.22 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 1kkc h GLN 46 Cb 0.15 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1kkc h GLN 46 CO -0.02 0.67 0.19 1.15 -2.65 0.00 0.00 178.83 178.17 1kkc h THR 47 N 1.04 1.25 -0.25 2.39 2.02 -0.60 -1.13 112.91 117.63 1kkc h THR 47 Ca 0.34 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1kkc h THR 47 Cb 0.05 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1kkc h THR 47 CO -0.10 0.32 -0.12 1.88 0.37 0.00 0.00 175.52 177.88 1kkc h TYR 48 N 0.90 0.43 0.05 3.16 0.05 -0.70 0.17 116.97 121.02 1kkc h TYR 48 Ca 0.20 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1kkc h TYR 48 Cb 0.30 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1kkc h TYR 48 CO 0.02 0.52 -0.03 0.28 -1.05 0.00 0.00 178.16 177.90 1kkc h VAL 49 N 0.38 1.19 -0.67 -2.88 2.07 -0.96 0.63 116.25 116.01 1kkc h VAL 49 Ca 0.07 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1kkc h VAL 49 Cb 0.44 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1kkc h VAL 49 CO 0.02 0.21 0.43 0.78 0.02 0.00 0.00 177.57 179.03 1kkc h ASN 50 N -0.45 0.71 -0.59 0.57 -0.26 -0.99 -1.43 115.58 113.15 1kkc h ASN 50 Ca -0.01 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1kkc h ASN 50 Cb 0.40 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 1kkc h ASN 50 CO 0.01 0.50 0.21 1.23 -1.06 0.00 0.00 177.43 178.32 1kkc h GLY 51 N 0.85 1.01 0.84 2.83 0.00 -0.57 -1.75 103.07 106.28 1kkc h GLY 51 Ca 0.26 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1kkc h GLY 51 CO -0.09 0.53 -0.01 -2.00 0.00 0.00 0.00 176.54 174.97 1kkc h LEU 52 N 0.92 0.41 -0.49 3.11 5.85 -0.31 -1.08 115.31 123.71 1kkc h LEU 52 Ca 0.21 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1kkc h LEU 52 Cb 0.25 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1kkc h LEU 52 CO -0.01 0.62 0.29 0.78 -0.34 0.00 0.00 178.44 179.78 1kkc h ASN 53 N 0.18 0.47 -0.56 1.25 2.35 -1.02 -0.63 115.58 117.61 1kkc h ASN 53 Ca 0.06 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1kkc h ASN 53 Cb 0.42 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1kkc h ASN 53 CO 0.01 0.33 -0.04 0.00 -1.65 0.00 0.00 177.43 176.09 1kkc h ALA 54 N 1.22 0.84 0.09 -0.83 0.00 -1.29 -1.92 119.26 117.37 1kkc h ALA 54 Ca 0.20 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kkc h ALA 54 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1kkc h ALA 54 CO -0.09 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 1kkc h ALA 55 N 1.01 -0.12 -0.84 0.00 0.00 -0.77 0.96 119.26 119.49 1kkc h ALA 55 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1kkc h ALA 55 Cb 0.59 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1kkc h ALA 55 CO 0.04 -0.50 0.52 -0.07 0.00 0.00 0.00 179.25 179.24 1kkc h LEU 56 N -0.26 0.99 -0.64 0.00 3.38 -1.11 0.22 115.31 117.89 1kkc h LEU 56 Ca -0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1kkc h LEU 56 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1kkc h LEU 56 CO 0.02 0.75 0.22 -0.08 0.09 0.00 0.00 178.44 179.43 1kkc h GLU 57 N 1.15 0.99 -0.49 1.13 4.57 -1.09 0.11 114.58 120.94 1kkc h GLU 57 Ca 0.30 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1kkc h GLU 57 Cb -0.08 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 1kkc h GLU 57 CO -0.06 0.86 0.01 0.00 -1.18 0.00 0.00 179.01 178.64 1kkc h ALA 58 N 1.08 0.66 -0.57 2.92 0.00 0.27 -1.82 119.26 121.80 1kkc h ALA 58 Ca 0.21 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1kkc h ALA 58 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1kkc h ALA 58 CO -0.01 0.46 0.10 0.37 0.00 0.00 0.00 179.25 180.17 1kkc h GLN 59 N 0.72 0.91 0.07 0.00 4.15 -0.30 -1.19 115.11 119.46 1kkc h GLN 59 Ca 0.14 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1kkc h GLN 59 Cb 0.49 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1kkc h GLN 59 CO 0.02 0.83 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.51 1kkc h LYS 60 N 0.86 -0.09 -0.60 1.69 3.64 -0.49 -0.01 116.57 121.58 1kkc h LYS 60 Ca 0.18 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1kkc h LYS 60 Cb 0.36 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1kkc h LYS 60 CO 0.01 -0.04 0.28 0.87 -2.27 0.00 0.00 179.45 178.30 1kkc h LYS 61 N -0.11 0.87 -0.82 1.90 1.79 -1.13 -1.01 116.57 118.05 1kkc h LYS 61 Ca -0.01 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 1kkc h LYS 61 Cb 0.09 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1kkc h LYS 61 CO 0.02 0.71 0.44 0.00 -1.08 0.00 0.00 179.45 179.53 1kkc h ALA 62 N 1.12 1.06 -0.45 3.86 0.00 -1.03 -0.32 119.26 123.49 1kkc h ALA 62 Ca 0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1kkc h ALA 62 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1kkc h ALA 62 CO -0.02 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.82 1kkc h ALA 63 N 1.23 0.60 -0.37 0.00 0.00 -0.66 0.14 119.26 120.21 1kkc h ALA 63 Ca 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1kkc h ALA 63 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1kkc h ALA 63 CO -0.04 0.38 0.09 0.93 0.00 0.00 0.00 179.25 180.61 1kkc h GLU 64 N 0.63 0.55 -0.01 0.00 5.08 -0.77 -1.59 114.58 118.47 1kkc h GLU 64 Ca 0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1kkc h GLU 64 Cb 0.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1kkc h GLU 64 CO 0.02 0.50 -0.11 0.00 -1.00 0.00 0.00 179.01 178.42 1kkc n ALA 65 N -2.47 2.78 -3.16 3.43 0.00 -0.17 -4.92 120.51 116.00 1kkc n ALA 65 Ca 0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1kkc n ALA 65 Cb 0.18 -1.26 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1kkc n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kkc n THR 66 N -0.57 -2.17 -3.08 0.00 -1.04 -0.17 -4.92 114.28 102.33 1kkc n THR 66 Ca 0.16 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.72 1kkc n THR 66 Cb 0.30 -3.52 -0.02 0.00 -1.82 0.00 0.00 70.33 65.26 1kkc n THR 66 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1kkc s ASP 67 N -2.83 6.66 0.18 8.00 -1.08 0.32 -4.90 116.67 123.02 1kkc s ASP 67 Ca 0.37 -2.26 -0.13 0.00 -0.52 0.00 0.00 52.55 50.01 1kkc s ASP 67 Cb -0.16 -2.33 0.10 0.00 -1.46 0.00 0.00 42.92 39.07 1kkc s ASP 67 CO 0.46 -0.88 1.83 0.58 0.52 0.00 0.00 175.17 177.68 1kkc h VAL 68 N 5.44 1.10 -0.66 1.11 2.07 -1.91 -0.84 116.25 122.57 1kkc h VAL 68 Ca 0.12 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1kkc h VAL 68 Cb 1.03 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1kkc h VAL 68 CO 0.97 0.13 0.37 -0.65 0.02 0.00 0.00 177.57 178.42 1kkc h PRO 69 N 0.72 0.67 -0.31 1.57 0.11 -1.98 -1.35 132.00 131.43 1kkc h PRO 69 Ca 0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1kkc h PRO 69 Cb -0.03 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1kkc h PRO 69 CO -0.07 0.44 0.12 -0.22 -0.21 0.00 0.00 178.00 178.07 1kkc h LYS 70 N 0.69 0.47 -0.84 1.05 1.63 -1.83 -1.52 116.57 116.23 1kkc h LYS 70 Ca 0.29 -0.09 0.08 0.00 -0.85 0.00 0.00 60.65 60.08 1kkc h LYS 70 Cb 0.16 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.65 1kkc h LYS 70 CO -0.17 0.48 0.51 -0.07 -3.45 0.00 0.00 179.45 176.75 1kkc h LEU 71 N 0.36 0.77 -0.21 5.20 3.38 -0.67 -1.32 115.31 122.81 1kkc h LEU 71 Ca 0.10 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1kkc h LEU 71 Cb 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1kkc h LEU 71 CO -0.01 0.47 -0.46 0.58 0.09 0.00 0.00 178.44 179.11 1kkc h VAL 72 N 0.89 1.31 -0.59 1.22 2.07 -1.12 -3.10 116.25 116.94 1kkc h VAL 72 Ca 0.38 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1kkc h VAL 72 Cb 0.25 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1kkc h VAL 72 CO -0.20 0.53 0.29 0.77 0.02 0.00 0.00 177.57 178.98 1kkc h SER 73 N 0.39 0.76 0.67 0.57 4.64 -0.90 -2.34 113.55 117.34 1kkc h SER 73 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1kkc h SER 73 Cb 1.07 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1kkc h SER 73 CO 0.10 0.67 0.00 1.62 -0.87 0.00 0.00 176.83 178.36 1kkc h VAL 74 N 0.80 0.00 -0.76 0.95 3.04 -1.30 -3.20 116.25 115.77 1kkc h VAL 74 Ca 0.20 -0.27 0.14 0.00 -1.01 0.00 0.00 66.70 65.76 1kkc h VAL 74 Cb 0.11 1.09 -0.09 0.00 -2.01 0.00 0.00 31.29 30.38 1kkc h VAL 74 CO -0.03 0.00 0.32 -0.61 -1.01 0.00 0.00 177.57 176.24 1kkc h GLN 75 N 0.00 0.46 -0.55 4.17 -0.00 -1.34 -1.16 115.11 116.70 1kkc h GLN 75 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1kkc h GLN 75 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.68 1kkc h GLN 75 CO 0.00 0.30 0.26 0.37 0.00 0.00 0.00 178.83 179.76 1kkc h GLN 76 N 0.47 0.77 -0.36 1.69 5.75 -1.73 -1.42 115.11 120.28 1kkc h GLN 76 Ca 0.42 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.72 1kkc h GLN 76 Cb 0.61 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1kkc h GLN 76 CO -0.39 0.60 -0.15 0.00 -2.65 0.00 0.00 178.83 176.24 1kkc h ALA 77 N 1.52 0.50 -0.28 3.38 0.00 -1.44 -0.56 119.26 122.38 1kkc h ALA 77 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1kkc h ALA 77 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kkc h ALA 77 CO -0.03 0.41 0.13 0.82 0.00 0.00 0.00 179.25 180.59 1kkc h ILE 78 N 0.53 1.16 -0.16 0.00 2.04 -1.11 -0.58 117.51 119.39 1kkc h ILE 78 Ca 0.08 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1kkc h ILE 78 Cb 0.69 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1kkc h ILE 78 CO 0.05 0.17 0.10 0.50 0.00 0.00 0.00 178.15 178.97 1kkc h LYS 79 N 0.32 0.20 0.42 2.37 3.64 -1.17 0.58 116.57 122.93 1kkc h LYS 79 Ca 0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1kkc h LYS 79 Cb 0.14 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1kkc h LYS 79 CO -0.01 0.13 -0.20 0.35 -2.27 0.00 0.00 179.45 177.45 1kkc h PHE 80 N 0.21 -0.52 -0.36 1.91 3.57 -1.01 -0.28 116.94 120.46 1kkc h PHE 80 Ca 0.06 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 1kkc h PHE 80 Cb -0.02 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1kkc h PHE 80 CO -0.07 -0.19 -0.42 -0.91 -2.23 0.00 0.00 178.31 174.49 1kkc h ASN 81 N -0.89 0.98 -0.50 0.41 4.21 -1.15 -0.78 115.58 117.87 1kkc h ASN 81 Ca -0.06 -0.46 -0.07 0.00 1.21 0.00 0.00 56.30 56.92 1kkc h ASN 81 Cb 0.56 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 1kkc h ASN 81 CO 0.09 1.26 0.02 1.23 -1.29 0.00 0.00 177.43 178.74 1kkc h GLY 82 N 0.78 0.93 1.49 2.83 0.00 0.10 -0.88 103.07 108.33 1kkc h GLY 82 Ca 0.05 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1kkc h GLY 82 CO 0.10 0.62 -0.20 -1.33 0.00 0.00 0.00 176.54 175.73 1kkc h GLY 83 N 0.73 0.64 1.03 4.60 0.00 -0.99 -1.12 103.07 107.96 1kkc h GLY 83 Ca 0.14 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1kkc h GLY 83 CO 0.02 0.46 0.06 -1.33 0.00 0.00 0.00 176.54 175.75 1kkc h GLY 84 N 0.99 1.04 0.89 4.60 0.00 -0.82 0.08 103.07 109.85 1kkc h GLY 84 Ca 0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1kkc h GLY 84 CO 0.04 0.67 0.08 0.84 0.00 0.00 0.00 176.54 178.17 1kkc h HIS 85 N 0.86 0.42 0.46 5.60 6.17 -0.83 -1.60 115.15 126.23 1kkc h HIS 85 Ca 0.17 -0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 1kkc h HIS 85 Cb 0.47 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.28 1kkc h HIS 85 CO 0.03 0.46 -0.24 0.82 0.71 0.00 0.00 177.93 179.72 1kkc h ILE 86 N 0.26 0.51 -0.05 6.26 2.04 -1.06 -1.85 117.51 123.62 1kkc h ILE 86 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1kkc h ILE 86 Cb 0.24 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1kkc h ILE 86 CO -0.00 0.00 -0.11 0.78 0.00 0.00 0.00 178.15 178.82 1kkc h ASN 87 N -0.64 -0.32 -0.50 1.72 2.35 -0.94 -2.31 115.58 114.94 1kkc h ASN 87 Ca -0.06 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1kkc h ASN 87 Cb 0.50 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1kkc h ASN 87 CO 0.09 -0.15 0.01 0.45 -1.65 0.00 0.00 177.43 176.19 1kkc h HIS 88 N -0.16 0.99 -0.96 1.19 3.86 -1.33 0.35 115.15 119.10 1kkc h HIS 88 Ca 0.06 -0.15 0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1kkc h HIS 88 Cb 0.23 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 1kkc h HIS 88 CO -0.19 0.89 0.62 0.77 0.86 0.00 0.00 177.93 180.87 1kkc h SER 89 N 0.85 1.01 0.09 2.45 0.02 -1.16 -0.13 113.55 116.68 1kkc h SER 89 Ca 0.16 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.92 1kkc h SER 89 Cb 0.49 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1kkc h SER 89 CO 0.02 0.66 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.58 1kkc h LEU 90 N 1.16 0.66 0.28 5.07 3.38 -1.02 -3.22 115.31 121.62 1kkc h LEU 90 Ca 0.40 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1kkc h LEU 90 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1kkc h LEU 90 CO -0.15 1.18 -0.14 0.15 0.09 0.00 0.00 178.44 179.58 1kkc h PHE 91 N 0.39 -0.35 -0.91 1.13 3.57 0.04 -1.42 116.94 119.38 1kkc h PHE 91 Ca -0.03 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.59 1kkc h PHE 91 Cb 1.32 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 40.09 1kkc h PHE 91 CO 0.06 -0.17 0.53 -1.49 -2.23 0.00 0.00 178.31 175.01 1kkc h TRP 92 N -0.45 0.95 0.00 0.41 -0.00 -1.15 -1.76 115.95 113.95 1kkc h TRP 92 Ca -0.04 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.82 1kkc h TRP 92 Cb 0.34 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.21 1kkc h TRP 92 CO -0.04 0.31 -0.32 0.87 -0.00 0.00 0.00 178.44 179.27 1kkc h LYS 93 N 0.79 0.00 -0.85 0.49 1.57 -1.52 -3.14 116.57 113.92 1kkc h LYS 93 Ca 0.48 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.04 1kkc h LYS 93 Cb 0.58 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.76 1kkc h LYS 93 CO -0.31 0.32 0.28 0.27 -0.57 0.00 0.00 179.45 179.44 1kkc n ASN 94 N -3.35 4.10 -4.26 0.86 0.23 -0.55 -4.76 115.26 107.53 1kkc n ASN 94 Ca 0.01 -3.02 -0.19 0.00 -0.53 0.00 0.00 54.58 50.85 1kkc n ASN 94 Cb 0.53 -0.71 -0.11 0.00 -2.08 0.00 0.00 39.78 37.41 1kkc n ASN 94 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1kkc s LEU 95 N -2.38 2.39 -0.21 -4.53 1.43 -1.19 -0.58 118.68 113.61 1kkc s LEU 95 Ca 0.44 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1kkc s LEU 95 Cb 0.35 -0.64 0.15 0.00 0.03 0.00 0.00 46.19 46.08 1kkc s LEU 95 CO 0.10 -0.10 1.12 0.00 0.23 0.00 0.00 176.35 177.70 1kkc s ALA 96 N -1.96 -2.00 0.65 4.21 0.00 0.89 -4.49 121.76 119.05 1kkc s ALA 96 Ca 0.09 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.59 1kkc s ALA 96 Cb -0.06 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1kkc s ALA 96 CO 0.04 -0.27 1.14 -1.25 0.00 0.00 0.00 175.76 175.42 1kkc s PRO 97 N -0.91 2.78 0.53 0.00 0.04 -1.26 -3.85 135.00 132.32 1kkc s PRO 97 Ca 0.02 1.56 0.23 0.00 0.04 0.00 0.00 61.00 62.85 1kkc s PRO 97 Cb -0.01 -1.93 1.27 0.00 0.04 0.00 0.00 34.50 33.86 1kkc s PRO 97 CO -0.02 -1.30 1.68 1.05 0.04 0.00 0.00 177.00 178.45 1kkc h GLU 98 N 0.26 0.00 0.00 4.56 4.11 -1.78 0.24 114.58 121.97 1kkc h GLU 98 Ca -0.48 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.90 1kkc h GLU 98 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1kkc h GLU 98 CO 0.54 0.00 -0.73 1.57 0.07 0.00 0.00 179.01 180.46 1kkc h LYS 99 N 0.00 0.00 -0.64 1.06 2.10 -1.89 -3.33 116.57 113.87 1kkc h LYS 99 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 1kkc h LYS 99 Cb 0.63 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.77 1kkc h LYS 99 CO 0.00 0.13 0.24 0.43 -2.00 0.00 0.00 179.45 178.25 1kkc n SER 100 N -2.91 3.08 0.00 7.07 7.64 0.70 -4.88 113.62 124.31 1kkc n SER 100 Ca -0.00 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1kkc n SER 100 Cb 0.62 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1kkc n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkc n GLY 101 N -1.11 0.67 3.69 0.23 0.00 -1.20 -4.79 105.19 102.68 1kkc n GLY 101 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1kkc n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kkc s GLY 102 N -1.38 1.34 0.00 -0.02 0.00 -0.44 -1.58 107.32 105.25 1kkc s GLY 102 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.16 1kkc s GLY 102 CO 0.00 3.19 0.00 0.61 0.00 0.00 0.00 173.10 176.90 1kkc n GLY 103 N 4.27 0.75 3.29 0.20 0.00 0.22 -4.32 105.19 109.61 1kkc n GLY 103 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1kkc n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kkc n LYS 104 N -2.12 3.32 -0.16 1.61 4.76 -0.61 -4.82 118.16 120.14 1kkc n LYS 104 Ca 0.00 -3.50 0.16 0.00 -2.87 0.00 0.00 58.31 52.10 1kkc n LYS 104 Cb 0.02 -3.16 0.51 0.00 -1.84 0.00 0.00 35.03 30.56 1kkc n LYS 104 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1kkc h ILE 105 N 4.62 0.79 0.00 -0.18 6.09 -1.91 0.03 117.51 126.95 1kkc h ILE 105 Ca 0.40 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 1kkc h ILE 105 Cb 0.80 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.44 1kkc h ILE 105 CO 1.45 0.07 0.00 0.47 -3.07 0.00 0.00 178.15 177.07 1kkc n ASP 106 N -4.47 0.00 -0.37 2.19 8.00 -1.26 -1.28 116.55 119.36 1kkc n ASP 106 Ca 0.14 -0.25 0.08 0.00 0.71 0.00 0.00 54.79 55.47 1kkc n ASP 106 Cb 0.54 -0.15 0.31 0.00 -0.02 0.00 0.00 41.12 41.80 1kkc n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkc n GLN 107 N -1.15 1.48 -3.21 -1.24 6.02 -0.00 -3.89 117.38 115.38 1kkc n GLN 107 Ca 0.11 -0.73 -0.23 0.00 -0.01 0.00 0.00 57.00 56.13 1kkc n GLN 107 Cb 0.10 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 1kkc n GLN 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kkc n ALA 108 N 0.00 2.81 -0.09 -1.58 0.00 -0.40 -4.38 120.51 116.86 1kkc n ALA 108 Ca 0.12 -3.75 -0.06 0.00 0.00 0.00 0.00 53.44 49.75 1kkc n ALA 108 Cb 0.22 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.83 1kkc n ALA 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1kkc h PRO 109 N 3.74 0.13 -0.02 0.00 0.11 -1.76 0.14 132.00 134.34 1kkc h PRO 109 Ca 0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1kkc h PRO 109 Cb 0.83 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1kkc h PRO 109 CO 0.57 0.09 0.00 0.28 -0.21 0.00 0.00 178.00 178.73 1kkc h VAL 110 N 0.13 1.18 -0.45 3.15 2.07 -1.95 -1.14 116.25 119.24 1kkc h VAL 110 Ca 0.16 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1kkc h VAL 110 Cb 0.20 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1kkc h VAL 110 CO -0.24 0.14 0.11 0.25 0.02 0.00 0.00 177.57 177.85 1kkc h LEU 111 N -0.19 0.69 -1.08 2.57 5.85 -1.88 -2.26 115.31 119.01 1kkc h LEU 111 Ca 0.01 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1kkc h LEU 111 Cb 0.23 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1kkc h LEU 111 CO 0.00 0.74 0.45 0.50 -0.34 0.00 0.00 178.44 179.80 1kkc h LYS 112 N 0.60 1.09 -0.39 1.25 3.64 -0.67 0.66 116.57 122.75 1kkc h LYS 112 Ca 0.14 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1kkc h LYS 112 Cb 0.32 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1kkc h LYS 112 CO 0.00 0.78 -0.17 0.00 -2.27 0.00 0.00 179.45 177.79 1kkc h ALA 113 N 1.40 0.97 -0.18 5.00 0.00 -0.99 -1.33 119.26 124.13 1kkc h ALA 113 Ca 0.28 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1kkc h ALA 113 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1kkc h ALA 113 CO -0.05 0.60 -0.48 0.00 0.00 0.00 0.00 179.25 179.33 1kkc h ALA 114 N 1.16 0.84 -0.33 0.00 0.00 -0.79 -2.36 119.26 117.79 1kkc h ALA 114 Ca 0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1kkc h ALA 114 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1kkc h ALA 114 CO 0.05 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.77 1kkc h ILE 115 N 0.38 1.26 -0.15 0.00 2.04 -0.52 -2.50 117.51 118.03 1kkc h ILE 115 Ca 0.02 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1kkc h ILE 115 Cb 0.98 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1kkc h ILE 115 CO 0.09 0.32 -0.25 -0.33 0.00 0.00 0.00 178.15 177.98 1kkc h GLU 116 N 0.39 0.26 -0.18 2.37 5.08 -1.18 -0.07 114.58 121.24 1kkc h GLU 116 Ca 0.09 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1kkc h GLU 116 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1kkc h GLU 116 CO 0.02 0.50 -0.41 0.37 -1.00 0.00 0.00 179.01 178.49 1kkc h GLN 117 N 0.24 0.42 0.00 2.33 4.15 -1.31 0.35 115.11 121.30 1kkc h GLN 117 Ca 0.04 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 1kkc h GLN 117 Cb 0.58 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 1kkc h GLN 117 CO 0.04 0.77 -0.11 -0.09 -1.93 0.00 0.00 178.83 177.51 1kkc h ARG 118 N 0.35 0.00 -0.03 1.69 9.65 -1.05 -3.38 114.38 121.61 1kkc h ARG 118 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1kkc h ARG 118 Cb 0.88 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 1kkc h ARG 118 CO 0.07 0.87 -0.09 0.91 2.80 0.00 0.00 179.97 184.53 1kkc n TRP 119 N -4.62 0.00 0.00 2.20 8.01 -0.07 -4.98 117.44 117.98 1kkc n TRP 119 Ca -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 1kkc n TRP 119 Cb 0.44 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.74 1kkc n TRP 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kkc n GLY 120 N 1.36 2.61 3.49 6.99 0.00 0.12 -4.61 105.19 115.15 1kkc n GLY 120 Ca 0.13 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1kkc n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kkc s SER 121 N 0.00 -0.29 0.18 1.61 1.04 -1.23 -4.70 113.70 110.31 1kkc s SER 121 Ca 0.00 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 1kkc s SER 121 Cb 0.00 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.78 1kkc s SER 121 CO 0.00 -1.02 1.73 0.15 0.98 0.00 0.00 173.24 175.08 1kkc h PHE 122 N 2.20 0.99 -0.27 5.02 3.57 -1.90 -1.98 116.94 124.58 1kkc h PHE 122 Ca -0.30 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.02 1kkc h PHE 122 Cb 1.27 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1kkc h PHE 122 CO 0.34 0.79 -0.23 -0.44 -2.23 0.00 0.00 178.31 176.54 1kkc h ASP 123 N 0.91 0.51 -0.28 0.41 3.32 -1.96 -1.69 116.42 117.63 1kkc h ASP 123 Ca 0.21 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 1kkc h ASP 123 Cb 0.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1kkc h ASP 123 CO -0.01 0.74 -0.17 0.11 -1.72 0.00 0.00 179.24 178.18 1kkc h LYS 124 N 0.45 0.73 -0.67 3.56 1.57 -1.80 -2.22 116.57 118.19 1kkc h LYS 124 Ca 0.07 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1kkc h LYS 124 Cb 0.65 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1kkc h LYS 124 CO 0.05 0.86 0.36 0.35 -0.57 0.00 0.00 179.45 180.50 1kkc h PHE 125 N 0.65 0.93 -0.43 -1.35 3.57 -0.85 -2.21 116.94 117.26 1kkc h PHE 125 Ca 0.10 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1kkc h PHE 125 Cb 0.65 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1kkc h PHE 125 CO 0.03 0.67 -0.02 0.87 -2.23 0.00 0.00 178.31 177.63 1kkc h LYS 126 N 0.92 0.70 -0.41 1.11 1.57 -0.98 -0.65 116.57 118.84 1kkc h LYS 126 Ca 0.24 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1kkc h LYS 126 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1kkc h LYS 126 CO -0.04 0.73 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.03 1kkc h ASP 127 N 0.66 0.81 -0.80 0.86 3.32 -1.14 0.57 116.42 120.70 1kkc h ASP 127 Ca 0.13 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1kkc h ASP 127 Cb 0.44 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1kkc h ASP 127 CO 0.02 0.99 0.33 0.00 -1.72 0.00 0.00 179.24 178.86 1kkc h ALA 128 N 0.85 1.06 -0.22 3.45 0.00 -1.13 0.08 119.26 123.36 1kkc h ALA 128 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1kkc h ALA 128 Cb 0.64 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1kkc h ALA 128 CO 0.04 0.67 0.00 0.35 0.00 0.00 0.00 179.25 180.31 1kkc h PHE 129 N 1.17 0.42 -0.40 0.00 3.57 -0.93 -1.53 116.94 119.24 1kkc h PHE 129 Ca 0.27 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1kkc h PHE 129 Cb 0.20 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1kkc h PHE 129 CO 0.02 0.56 0.17 -0.91 -2.23 0.00 0.00 178.31 175.93 1kkc h ASN 130 N 0.15 0.23 -0.70 0.41 2.35 -0.62 -0.41 115.58 116.99 1kkc h ASN 130 Ca 0.06 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1kkc h ASN 130 Cb 0.40 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.70 1kkc h ASN 130 CO 0.01 0.17 0.37 0.74 -1.65 0.00 0.00 177.43 177.07 1kkc h THR 131 N 0.36 0.92 -0.51 2.81 2.02 -0.81 -0.85 112.91 116.84 1kkc h THR 131 Ca 0.18 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1kkc h THR 131 Cb 0.12 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1kkc h THR 131 CO -0.15 0.12 0.19 0.74 0.37 0.00 0.00 175.52 176.79 1kkc h THR 132 N 0.66 1.22 -0.71 3.16 2.02 -0.47 -1.34 112.91 117.45 1kkc h THR 132 Ca 0.33 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1kkc h THR 132 Cb 0.27 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1kkc h THR 132 CO -0.22 0.26 0.37 -0.07 0.37 0.00 0.00 175.52 176.23 1kkc h LEU 133 N 0.69 0.91 -0.90 2.58 3.38 -0.49 -1.94 115.31 119.53 1kkc h LEU 133 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1kkc h LEU 133 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1kkc h LEU 133 CO -0.01 0.77 0.00 -0.07 0.09 0.00 0.00 178.44 179.22 1kkc h LEU 134 N 0.99 0.00 0.00 1.67 3.38 -0.96 -2.91 115.31 117.47 1kkc h LEU 134 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1kkc h LEU 134 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1kkc h LEU 134 CO -0.04 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.79 1kkc n GLY 135 N 0.34 -1.42 3.71 0.83 0.00 -0.52 -4.86 105.19 103.26 1kkc n GLY 135 Ca 0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1kkc n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkc s ILE 136 N -3.05 2.94 -0.21 -0.61 1.01 -1.07 -4.98 121.20 115.23 1kkc s ILE 136 Ca 0.11 0.60 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 1kkc s ILE 136 Cb 0.16 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1kkc s ILE 136 CO 0.64 0.03 0.23 -1.10 0.00 0.00 0.00 174.94 174.74 1kkc s GLN 137 N 1.59 4.16 2.82 2.79 -0.21 -1.26 -4.93 119.66 124.62 1kkc s GLN 137 Ca 0.69 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.99 1kkc s GLN 137 Cb -0.40 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1kkc s GLN 137 CO 0.31 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 1kkc n GLY 138 N 3.85 -0.54 3.77 3.09 0.00 -1.26 -4.79 105.19 109.31 1kkc n GLY 138 Ca -0.13 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 1kkc n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kkc s SER 139 N -4.00 7.37 -0.04 1.61 0.01 -1.26 -4.86 113.70 112.53 1kkc s SER 139 Ca 0.00 1.63 -0.16 0.00 1.31 0.00 0.00 55.95 58.73 1kkc s SER 139 Cb 0.00 -2.50 0.05 0.00 0.21 0.00 0.00 66.02 63.79 1kkc s SER 139 CO 0.00 0.19 0.72 0.61 0.41 0.00 0.00 173.24 175.17 1kkc n GLY 140 N 1.68 0.29 3.10 3.44 0.00 -1.26 -0.54 105.19 111.89 1kkc n GLY 140 Ca -0.05 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1kkc n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kkc s TRP 141 N -2.18 0.87 -0.10 1.61 0.52 -0.34 -1.11 118.94 118.22 1kkc s TRP 141 Ca 0.17 -0.45 -0.02 0.00 0.02 0.00 0.00 56.10 55.82 1kkc s TRP 141 Cb -0.00 -0.51 -0.03 0.00 -1.15 0.00 0.00 33.47 31.78 1kkc s TRP 141 CO -0.01 -0.03 -0.03 0.20 0.02 0.00 0.00 176.95 177.10 1kkc s GLY 142 N -1.52 1.77 0.05 0.98 0.00 -0.67 -1.77 107.32 106.15 1kkc s GLY 142 Ca -0.06 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1kkc s GLY 142 CO 0.01 -0.43 -0.09 -0.98 0.00 0.00 0.00 173.10 171.62 1kkc s TRP 143 N -0.45 0.76 -0.19 1.90 0.52 0.21 -1.37 118.94 120.32 1kkc s TRP 143 Ca 0.07 -0.49 -0.03 0.00 0.02 0.00 0.00 56.10 55.67 1kkc s TRP 143 Cb -0.12 -0.45 -0.01 0.00 -1.15 0.00 0.00 33.47 31.73 1kkc s TRP 143 CO 0.02 -0.06 -0.06 -1.17 0.02 0.00 0.00 176.95 175.70 1kkc s LEU 144 N -1.60 2.94 0.19 2.99 2.96 -0.86 -0.59 118.68 124.70 1kkc s LEU 144 Ca -0.09 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1kkc s LEU 144 Cb -0.10 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1kkc s LEU 144 CO 0.01 0.06 -0.02 0.68 -1.32 0.00 0.00 176.35 175.76 1kkc s VAL 145 N 0.99 0.86 0.13 1.68 -7.23 0.14 -0.73 120.40 116.25 1kkc s VAL 145 Ca -0.00 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1kkc s VAL 145 Cb -0.15 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1kkc s VAL 145 CO 0.00 -0.48 -0.15 0.28 -0.31 0.00 0.00 175.10 174.44 1kkc s THR 146 N -3.53 1.47 -2.19 5.32 -1.32 -0.20 -1.12 115.64 114.07 1kkc s THR 146 Ca 0.24 -1.75 0.18 0.00 -1.21 0.00 0.00 61.69 59.15 1kkc s THR 146 Cb 0.05 -1.60 0.42 0.00 -1.51 0.00 0.00 72.50 69.86 1kkc s THR 146 CO 0.05 -0.37 1.45 -0.90 -2.21 0.00 0.00 174.62 172.64 1kkc n ASP 147 N 0.52 1.96 0.00 8.08 5.75 -1.06 -1.19 116.55 130.61 1kkc n ASP 147 Ca -0.15 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1kkc n ASP 147 Cb 0.57 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1kkc n ASP 147 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kkc n GLY 148 N 1.16 -2.72 3.56 6.12 0.00 -1.26 -4.91 105.19 107.14 1kkc n GLY 148 Ca 0.15 -1.29 -0.47 0.00 0.00 0.00 0.00 46.02 44.41 1kkc n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kkc n PRO 149 N -0.87 1.69 -2.67 1.61 -0.04 -1.25 -0.28 135.00 133.19 1kkc n PRO 149 Ca 0.00 0.51 -0.21 0.00 -0.04 0.00 0.00 63.50 63.76 1kkc n PRO 149 Cb 0.00 -2.80 0.01 0.00 -0.04 0.00 0.00 33.50 30.67 1kkc n PRO 149 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kkc n LYS 150 N 8.04 -3.05 -0.06 0.54 5.02 -0.27 -4.93 118.16 123.44 1kkc n LYS 150 Ca 0.32 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.57 1kkc n LYS 150 Cb 0.33 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.63 1kkc n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kkc n GLY 151 N -1.22 -0.68 3.78 0.72 0.00 0.62 -5.03 105.19 103.37 1kkc n GLY 151 Ca -0.19 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 1kkc n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kkc s LYS 152 N -1.69 4.19 0.02 1.61 -2.85 -1.26 -4.76 119.74 114.99 1kkc s LYS 152 Ca 0.00 1.63 -0.04 0.00 -1.00 0.00 0.00 55.97 56.56 1kkc s LYS 152 Cb 0.00 -2.65 -0.04 0.00 -2.06 0.00 0.00 37.83 33.08 1kkc s LYS 152 CO 0.00 -0.15 0.23 -0.51 0.10 0.00 0.00 175.35 175.02 1kkc s LEU 153 N -2.47 4.36 -0.02 2.77 1.43 -1.26 -2.55 118.68 120.95 1kkc s LEU 153 Ca 0.56 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 1kkc s LEU 153 Cb -0.25 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.24 1kkc s LEU 153 CO 0.32 0.23 0.24 -1.81 0.23 0.00 0.00 176.35 175.56 1kkc s ASP 154 N -2.00 -0.12 -0.20 2.29 1.01 -0.28 -4.99 116.67 112.38 1kkc s ASP 154 Ca 0.30 0.05 -0.10 0.00 0.71 0.00 0.00 52.55 53.51 1kkc s ASP 154 Cb -0.13 0.31 -0.05 0.00 1.01 0.00 0.00 42.92 44.06 1kkc s ASP 154 CO 0.20 -0.36 0.12 -0.63 0.21 0.00 0.00 175.17 174.71 1kkc s ILE 155 N -1.11 5.29 0.22 0.77 1.01 -1.26 -0.68 121.20 125.44 1kkc s ILE 155 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1kkc s ILE 155 Cb -0.06 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1kkc s ILE 155 CO 0.03 0.44 0.14 0.42 0.00 0.00 0.00 174.94 175.96 1kkc s THR 156 N 0.42 0.10 0.08 2.92 -4.23 0.24 -4.99 115.64 110.19 1kkc s THR 156 Ca 0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1kkc s THR 156 Cb -0.11 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1kkc s THR 156 CO -0.01 0.00 -0.08 0.42 -0.54 0.00 0.00 174.62 174.41 1kkc s THR 157 N -4.02 0.76 0.05 3.99 -4.23 -1.26 0.65 115.64 111.58 1kkc s THR 157 Ca 0.39 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1kkc s THR 157 Cb 0.07 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1kkc s THR 157 CO 0.14 -0.62 -0.14 0.42 -0.54 0.00 0.00 174.62 173.88 1kkc s THR 158 N -2.56 1.07 0.24 3.99 -4.23 -0.73 -4.98 115.64 108.44 1kkc s THR 158 Ca 0.04 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.39 1kkc s THR 158 Cb -0.02 -0.99 -0.08 0.00 1.34 0.00 0.00 72.50 72.76 1kkc s THR 158 CO -0.01 -0.06 0.58 -2.28 -0.54 0.00 0.00 174.62 172.31 1kkc s HIS 159 N -0.95 3.43 0.00 3.99 2.46 -1.26 -1.20 115.29 121.76 1kkc s HIS 159 Ca 0.00 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.48 1kkc s HIS 159 Cb -0.08 -2.32 0.00 0.00 -0.13 0.00 0.00 32.58 30.05 1kkc s HIS 159 CO 0.01 0.25 0.00 -0.25 -2.47 0.00 0.00 174.74 172.28 1kkc n ASP 160 N -0.11 0.00 -0.71 9.88 8.00 0.30 -0.66 116.55 133.24 1kkc n ASP 160 Ca 0.01 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.56 1kkc n ASP 160 Cb 0.52 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.83 1kkc n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkc n GLN 161 N 7.42 2.04 -2.07 -1.24 1.13 -1.26 -4.17 117.38 119.23 1kkc n GLN 161 Ca 0.00 -2.92 -0.41 0.00 -1.94 0.00 0.00 57.00 51.73 1kkc n GLN 161 Cb 0.00 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 28.61 1kkc n GLN 161 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1kkc s ASP 162 N -2.50 6.72 0.64 1.08 1.01 0.16 -3.42 116.67 120.36 1kkc s ASP 162 Ca 0.40 2.63 -0.06 0.00 0.71 0.00 0.00 52.55 56.23 1kkc s ASP 162 Cb 0.35 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.68 1kkc s ASP 162 CO 0.03 -0.64 0.94 -2.16 0.21 0.00 0.00 175.17 173.56 1kkc s PRO 163 N -0.66 2.56 0.10 8.23 0.04 -1.26 -4.63 135.00 139.38 1kkc s PRO 163 Ca 0.56 -0.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.12 1kkc s PRO 163 Cb -0.41 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.83 1kkc s PRO 163 CO 0.45 -0.95 1.15 0.08 0.04 0.00 0.00 177.00 177.77 1kkc s VAL 164 N -3.09 4.04 0.09 -0.36 1.01 -1.26 -5.01 120.40 115.81 1kkc s VAL 164 Ca 0.57 1.56 0.05 0.00 0.00 0.00 0.00 61.98 64.15 1kkc s VAL 164 Cb -0.11 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1kkc s VAL 164 CO 0.44 0.17 -0.12 0.42 0.00 0.00 0.00 175.10 176.01 1kkc s THR 165 N 0.58 1.06 -0.23 3.92 -4.23 -1.26 -4.75 115.64 110.73 1kkc s THR 165 Ca 0.55 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1kkc s THR 165 Cb -0.29 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.34 1kkc s THR 165 CO 0.31 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1kkc n GLY 166 N 0.93 0.49 3.72 3.99 0.00 -1.26 -4.95 105.19 108.12 1kkc n GLY 166 Ca -0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 1kkc n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkc s ALA 167 N -1.79 -1.56 -0.22 4.61 0.00 -1.26 -4.95 121.76 116.58 1kkc s ALA 167 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1kkc s ALA 167 Cb 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1kkc s ALA 167 CO 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 175.76 174.86 1kkc s ALA 168 N -3.46 3.29 0.14 0.00 0.00 -0.33 -4.44 121.76 116.96 1kkc s ALA 168 Ca 0.10 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1kkc s ALA 168 Cb -0.02 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 21.00 1kkc s ALA 168 CO 0.01 -0.17 1.29 -2.14 0.00 0.00 0.00 175.76 174.75 1kkc s PRO 169 N 1.03 4.39 -0.22 0.00 0.02 -1.26 -1.03 135.00 137.93 1kkc s PRO 169 Ca 0.04 1.98 -0.17 0.00 0.02 0.00 0.00 61.00 62.87 1kkc s PRO 169 Cb -0.14 -3.25 -0.13 0.00 0.02 0.00 0.00 34.50 31.00 1kkc s PRO 169 CO 0.03 -0.28 -0.09 0.28 -0.33 0.00 0.00 177.00 176.61 1kkc n VAL 170 N 3.25 1.52 -3.47 3.83 0.31 0.09 -4.77 118.33 119.09 1kkc n VAL 170 Ca 0.08 -0.10 -0.15 0.00 -0.01 0.00 0.00 64.34 64.16 1kkc n VAL 170 Cb 0.44 -2.06 -0.04 0.00 -0.91 0.00 0.00 33.84 31.27 1kkc n VAL 170 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1kkc s PHE 171 N -2.45 -0.59 0.10 3.52 -0.12 -1.16 -4.44 117.98 112.84 1kkc s PHE 171 Ca -0.31 0.72 0.03 0.00 -0.05 0.00 0.00 56.93 57.32 1kkc s PHE 171 Cb 0.08 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1kkc s PHE 171 CO 0.49 -0.71 -0.08 0.20 -0.05 0.00 0.00 175.22 175.07 1kkc s GLY 172 N -1.95 0.78 -0.10 1.99 0.00 -1.26 -2.02 107.32 104.76 1kkc s GLY 172 Ca -0.05 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 1kkc s GLY 172 CO -0.01 -1.34 -0.07 0.14 0.00 0.00 0.00 173.10 171.81 1kkc s VAL 173 N -3.03 0.92 -0.12 1.40 1.01 -0.47 -4.85 120.40 115.26 1kkc s VAL 173 Ca 0.08 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1kkc s VAL 173 Cb 0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1kkc s VAL 173 CO -0.02 0.34 1.22 -0.62 0.00 0.00 0.00 175.10 176.02 1kkc s ASP 174 N 1.57 7.00 -0.01 3.32 -1.08 -1.26 -1.68 116.67 124.53 1kkc s ASP 174 Ca 0.02 1.72 0.15 0.00 -0.52 0.00 0.00 52.55 53.92 1kkc s ASP 174 Cb -0.13 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.22 1kkc s ASP 174 CO -0.06 -0.68 1.36 0.23 0.52 0.00 0.00 175.17 176.54 1kkc n MET 175 N 6.00 2.85 -1.88 4.34 2.81 -0.26 -4.84 117.12 126.14 1kkc n MET 175 Ca 0.13 -2.29 -0.38 0.00 -1.81 0.00 0.00 57.70 53.35 1kkc n MET 175 Cb 0.45 -1.39 0.03 0.00 -0.71 0.00 0.00 33.22 31.60 1kkc n MET 175 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1kkc s TRP 176 N -1.06 2.39 0.48 2.03 0.52 -1.20 -4.53 118.94 117.57 1kkc s TRP 176 Ca 0.33 1.41 0.14 0.00 0.02 0.00 0.00 56.10 57.99 1kkc s TRP 176 Cb 0.17 -3.71 1.11 0.00 -1.15 0.00 0.00 33.47 29.90 1kkc s TRP 176 CO 0.22 -2.61 2.09 0.93 0.02 0.00 0.00 176.95 177.60 1kkc h GLU 177 N 1.52 0.12 0.00 4.98 5.08 -1.93 -1.59 114.58 122.77 1kkc h GLU 177 Ca -0.51 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1kkc h GLU 177 Cb 1.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1kkc h GLU 177 CO 0.58 0.13 0.00 -2.39 -1.00 0.00 0.00 179.01 176.32 1kkc n HIS 178 N -4.48 0.57 1.00 4.33 1.44 -1.26 -0.34 115.22 116.48 1kkc n HIS 178 Ca -0.02 0.26 0.14 0.00 -2.01 0.00 0.00 57.72 56.09 1kkc n HIS 178 Cb 0.12 -0.92 0.53 0.00 0.12 0.00 0.00 29.99 29.84 1kkc n HIS 178 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkc n ALA 179 N -1.71 2.62 -0.34 1.59 0.00 -0.60 -4.54 120.51 117.54 1kkc n ALA 179 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1kkc n ALA 179 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1kkc n ALA 179 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1kkc n TYR 180 N -1.51 0.00 -0.22 0.00 4.11 -0.71 -4.99 117.16 113.85 1kkc n TYR 180 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.99 1kkc n TYR 180 Cb 0.34 0.00 0.13 0.00 -0.00 0.00 0.00 39.34 39.81 1kkc n TYR 180 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1kkc h TYR 181 N 0.00 0.30 -0.28 -3.48 3.20 -0.88 0.61 116.97 116.45 1kkc h TYR 181 Ca 0.00 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.99 1kkc h TYR 181 Cb 0.00 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1kkc h TYR 181 CO 0.00 -0.00 0.22 -0.07 -1.64 0.00 0.00 178.16 176.67 1kkc h LEU 182 N 0.32 0.00 0.00 2.82 3.38 -1.88 0.14 115.31 120.08 1kkc h LEU 182 Ca 0.35 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.90 1kkc h LEU 182 Cb 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1kkc h LEU 182 CO -0.40 0.00 -2.40 1.67 0.09 0.00 0.00 178.44 177.39 1kkc n GLN 183 N -4.25 0.54 0.00 1.13 7.27 -0.65 -4.65 117.38 116.77 1kkc n GLN 183 Ca 0.04 0.22 0.12 0.00 0.07 0.00 0.00 57.00 57.45 1kkc n GLN 183 Cb 0.38 -1.40 0.12 0.00 2.41 0.00 0.00 30.24 31.74 1kkc n GLN 183 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1kkc n TYR 184 N -4.01 0.00 -1.75 3.69 4.01 0.11 -5.04 117.16 114.17 1kkc n TYR 184 Ca -0.49 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 1kkc n TYR 184 Cb 0.86 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 1kkc n TYR 184 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1kkc n LEU 185 N -0.38 0.00 0.05 7.72 4.77 0.48 -1.00 117.00 128.63 1kkc n LEU 185 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1kkc n LEU 185 Cb 0.42 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.97 1kkc n LEU 185 CO 0.29 0.00 0.86 -0.46 -1.33 0.00 0.00 177.39 176.75 1kkc n ASN 186 N 2.64 0.32 -3.74 -1.43 6.94 -1.26 -4.32 115.26 114.41 1kkc n ASN 186 Ca 0.00 0.55 -0.42 0.00 -0.02 0.00 0.00 54.58 54.69 1kkc n ASN 186 Cb 0.00 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 36.77 1kkc n ASN 186 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1kkc n ASP 187 N -1.82 3.50 0.29 0.53 2.03 -0.17 -4.70 116.55 116.21 1kkc n ASP 187 Ca 0.05 -2.79 0.18 0.00 0.52 0.00 0.00 54.79 52.74 1kkc n ASP 187 Cb 0.30 -1.50 0.83 0.00 -0.72 0.00 0.00 41.12 40.03 1kkc n ASP 187 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1kkc h LYS 188 N 6.68 0.00 -0.28 -0.67 2.10 -1.82 -2.51 116.57 120.07 1kkc h LYS 188 Ca 0.52 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.06 1kkc h LYS 188 Cb 0.66 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 1kkc h LYS 188 CO 1.88 0.04 -0.26 0.00 -2.00 0.00 0.00 179.45 179.12 1kkc h ALA 189 N 1.96 1.03 0.00 0.07 0.00 -1.97 -1.20 119.26 119.16 1kkc h ALA 189 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1kkc h ALA 189 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1kkc h ALA 189 CO 0.01 0.58 -0.52 0.77 0.00 0.00 0.00 179.25 180.09 1kkc h SER 190 N 0.48 0.00 -0.10 0.00 0.02 -1.85 -2.03 113.55 110.07 1kkc h SER 190 Ca 0.07 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1kkc h SER 190 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1kkc h SER 190 CO 0.05 0.52 -0.24 0.22 -1.14 0.00 0.00 176.83 176.24 1kkc h TYR 191 N 0.00 0.44 -0.36 3.45 3.20 -1.40 -0.92 116.97 121.38 1kkc h TYR 191 Ca -0.01 -0.17 0.01 0.00 3.14 0.00 0.00 58.73 61.70 1kkc h TYR 191 Cb 1.26 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 1kkc h TYR 191 CO 0.00 0.85 0.24 0.00 -1.64 0.00 0.00 178.16 177.61 1kkc h ALA 192 N 0.50 0.46 0.00 1.82 0.00 -1.19 0.16 119.26 121.01 1kkc h ALA 192 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1kkc h ALA 192 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1kkc h ALA 192 CO 0.05 -0.09 -0.31 0.87 0.00 0.00 0.00 179.25 179.77 1kkc h LYS 193 N 0.48 0.00 0.07 0.00 1.57 -1.37 -3.13 116.57 114.20 1kkc h LYS 193 Ca 0.14 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.65 1kkc h LYS 193 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1kkc h LYS 193 CO -0.04 0.31 -1.30 0.78 -0.57 0.00 0.00 179.45 178.64 1kkc h GLY 194 N 1.63 0.16 2.00 3.86 0.00 -0.56 -3.34 103.07 106.82 1kkc h GLY 194 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1kkc h GLY 194 CO 0.04 0.36 -0.06 1.19 0.00 0.00 0.00 176.54 178.07 1kkc h ILE 195 N 0.04 0.34 -0.61 2.60 2.10 -0.92 -2.44 117.51 118.61 1kkc h ILE 195 Ca -0.14 -0.32 0.17 0.00 1.08 0.00 0.00 64.86 65.65 1kkc h ILE 195 Cb 1.92 1.24 -0.03 0.00 -1.09 0.00 0.00 36.82 38.86 1kkc h ILE 195 CO 0.15 0.05 0.44 -0.50 -1.08 0.00 0.00 178.15 177.21 1kkc h TRP 196 N 0.00 0.05 0.00 2.19 4.06 -1.68 -0.17 115.95 120.40 1kkc h TRP 196 Ca -0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1kkc h TRP 196 Cb 0.23 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1kkc h TRP 196 CO 0.00 0.02 -0.07 -0.91 -3.56 0.00 0.00 178.44 173.92 1kkc h ASN 197 N 0.04 0.00 -0.06 -3.49 2.35 -1.69 -3.16 115.58 109.57 1kkc h ASN 197 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1kkc h ASN 197 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1kkc h ASN 197 CO -0.02 0.07 0.00 1.33 -1.65 0.00 0.00 177.43 177.17 1kkc n VAL 198 N -3.27 1.86 -2.35 2.81 0.24 -0.09 -2.80 118.33 114.73 1kkc n VAL 198 Ca -0.01 -2.03 -0.42 0.00 -2.04 0.00 0.00 64.34 59.84 1kkc n VAL 198 Cb 0.28 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 1kkc n VAL 198 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1kkc s ILE 199 N -2.63 4.01 -1.22 1.34 -1.09 -1.14 -0.08 121.20 120.39 1kkc s ILE 199 Ca 0.31 1.35 -0.19 0.00 -2.23 0.00 0.00 60.65 59.89 1kkc s ILE 199 Cb 0.26 -3.87 0.07 0.00 -1.58 0.00 0.00 42.46 37.35 1kkc s ILE 199 CO 0.04 -0.01 1.64 0.21 -1.23 0.00 0.00 174.94 175.59 1kkc s ASN 200 N 1.73 6.77 0.49 3.58 3.84 0.26 -0.61 114.94 131.00 1kkc s ASN 200 Ca 0.60 -2.25 0.15 0.00 0.21 0.00 0.00 52.86 51.56 1kkc s ASN 200 Cb -0.28 -2.56 1.14 0.00 -0.55 0.00 0.00 41.25 39.00 1kkc s ASN 200 CO 0.23 -1.22 2.08 -0.50 -2.79 0.00 0.00 177.10 174.91 1kkc h TRP 201 N 8.07 0.03 -0.54 0.43 4.06 -1.84 -1.84 115.95 124.33 1kkc h TRP 201 Ca 0.38 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.30 1kkc h TRP 201 Cb 0.91 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 29.03 1kkc h TRP 201 CO 1.37 0.09 0.21 0.00 -3.56 0.00 0.00 178.44 176.55 1kkc h ALA 202 N 1.91 1.35 -0.18 1.49 0.00 -1.84 0.17 119.26 122.15 1kkc h ALA 202 Ca 0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1kkc h ALA 202 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1kkc h ALA 202 CO 0.01 0.49 -0.60 1.49 0.00 0.00 0.00 179.25 180.63 1kkc h GLU 203 N 0.78 0.61 -0.76 0.00 4.57 -1.66 -2.81 114.58 115.30 1kkc h GLU 203 Ca 0.19 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 1kkc h GLU 203 Cb 0.16 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1kkc h GLU 203 CO -0.02 1.03 0.26 0.00 -1.18 0.00 0.00 179.01 179.10 1kkc h ALA 204 N 0.88 1.02 -0.38 2.92 0.00 -0.83 -1.88 119.26 120.99 1kkc h ALA 204 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1kkc h ALA 204 Cb 1.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1kkc h ALA 204 CO 0.12 0.67 0.20 1.49 0.00 0.00 0.00 179.25 181.72 1kkc h GLU 205 N 1.13 0.39 -0.58 0.00 4.57 -0.60 -1.08 114.58 118.41 1kkc h GLU 205 Ca 0.25 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1kkc h GLU 205 Cb 0.28 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1kkc h GLU 205 CO -0.01 0.26 0.25 -0.91 -1.18 0.00 0.00 179.01 177.42 1kkc h ASN 206 N 0.40 0.79 -0.66 1.04 -0.26 -1.24 -1.48 115.58 114.18 1kkc h ASN 206 Ca 0.16 -0.15 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1kkc h ASN 206 Cb 0.05 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.08 1kkc h ASN 206 CO -0.10 0.73 0.12 0.03 -1.06 0.00 0.00 177.43 177.15 1kkc h ARG 207 N 0.80 1.08 -0.41 0.81 3.08 -0.99 -1.17 114.38 117.58 1kkc h ARG 207 Ca 0.20 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1kkc h ARG 207 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1kkc h ARG 207 CO -0.02 0.98 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.89 1kkc h TYR 208 N 1.00 0.84 -0.62 3.04 3.20 -1.04 0.29 116.97 123.68 1kkc h TYR 208 Ca 0.20 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1kkc h TYR 208 Cb 0.42 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1kkc h TYR 208 CO 0.03 0.86 0.03 0.82 -1.64 0.00 0.00 178.16 178.26 1kkc h ILE 209 N 0.58 1.26 -0.32 1.81 2.04 -1.17 -0.66 117.51 121.05 1kkc h ILE 209 Ca 0.11 -1.13 -0.16 0.00 1.00 0.00 0.00 64.86 64.68 1kkc h ILE 209 Cb 0.56 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1kkc h ILE 209 CO 0.03 0.41 -0.44 0.00 0.00 0.00 0.00 178.15 178.15 1kkc h ALA 210 N 1.02 0.61 -6.47 1.87 0.00 -1.06 -3.34 119.26 111.90 1kkc h ALA 210 Ca 0.18 -0.47 -0.50 0.00 0.00 0.00 0.00 54.91 54.12 1kkc h ALA 210 Cb 0.53 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1kkc h ALA 210 CO 0.03 0.68 -0.80 0.41 0.00 0.00 0.00 179.25 179.57 1kkc n GLY 211 N 0.17 -0.46 3.52 0.00 0.00 0.10 -4.06 105.19 104.46 1kkc n GLY 211 Ca -0.03 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1kkc n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kkc s ASP 212 N -3.40 6.27 0.00 1.61 -1.08 -1.26 -3.80 116.67 115.01 1kkc s ASP 212 Ca 0.63 -0.36 0.07 0.00 -0.52 0.00 0.00 52.55 52.37 1kkc s ASP 212 Cb -0.33 -2.27 0.40 0.00 -1.46 0.00 0.00 42.92 39.27 1kkc s ASP 212 CO 0.87 -0.60 0.86 0.29 0.52 0.00 0.00 175.17 177.11