#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkc s TYR 16 N 0.00 3.28 0.12 3.69 2.02 -1.26 -5.06 117.35 120.13 1kkc s TYR 16 Ca 0.00 1.65 0.01 0.00 -0.37 0.00 0.00 57.07 58.36 1kkc s TYR 16 Cb 0.00 -3.09 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 1kkc s TYR 16 CO 0.00 -0.56 -0.03 0.95 -1.57 0.00 0.00 175.55 174.34 1kkc s THR 17 N -1.71 0.62 -0.21 -0.71 -4.23 -1.26 -4.93 115.64 103.21 1kkc s THR 17 Ca 0.58 -1.94 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 1kkc s THR 17 Cb -0.21 -1.85 -0.00 0.00 1.34 0.00 0.00 72.50 71.78 1kkc s THR 17 CO 0.26 -0.71 1.19 -0.22 -0.54 0.00 0.00 174.62 174.60 1kkc s LEU 18 N -3.08 4.11 0.24 4.79 2.96 -1.26 -5.00 118.68 121.43 1kkc s LEU 18 Ca 0.17 1.51 -0.30 0.00 -0.22 0.00 0.00 54.13 55.29 1kkc s LEU 18 Cb 0.06 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.12 1kkc s LEU 18 CO -0.02 -0.78 1.20 -2.16 -1.32 0.00 0.00 176.35 173.27 1kkc s PRO 19 N 3.50 4.50 0.81 0.98 0.04 -1.26 -4.99 135.00 138.58 1kkc s PRO 19 Ca 0.51 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 1kkc s PRO 19 Cb -0.19 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.25 1kkc s PRO 19 CO 0.13 -0.03 1.12 -2.14 0.04 0.00 0.00 177.00 176.12 1kkc s PRO 20 N -0.86 1.87 0.54 0.56 0.02 -1.26 -4.99 135.00 130.88 1kkc s PRO 20 Ca 0.50 1.35 -0.17 0.00 0.02 0.00 0.00 61.00 62.70 1kkc s PRO 20 Cb -0.34 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 1kkc s PRO 20 CO 0.41 -1.96 1.02 -0.51 -0.33 0.00 0.00 177.00 175.63 1kkc s LEU 21 N -6.02 3.62 0.00 -5.54 1.43 -1.26 -4.93 118.68 105.97 1kkc s LEU 21 Ca 0.64 1.73 0.11 0.00 -1.03 0.00 0.00 54.13 55.58 1kkc s LEU 21 Cb -0.20 -4.53 0.40 0.00 0.03 0.00 0.00 46.19 41.89 1kkc s LEU 21 CO 0.55 -0.84 1.30 -0.81 0.23 0.00 0.00 176.35 176.78 1kkc n PRO 22 N -1.62 1.54 -3.57 1.29 -0.04 -1.26 -4.87 135.00 126.46 1kkc n PRO 22 Ca 0.08 -0.84 -0.11 0.00 -0.04 0.00 0.00 63.50 62.59 1kkc n PRO 22 Cb 0.53 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.73 -0.34 0.87 0.54 -0.85 -1.26 -5.11 117.35 109.48 1kkc s TYR 23 Ca 0.20 0.05 -0.12 0.00 -0.52 0.00 0.00 57.07 56.69 1kkc s TYR 23 Cb 0.11 0.45 0.09 0.00 0.38 0.00 0.00 41.96 42.98 1kkc s TYR 23 CO 0.15 -0.85 0.96 -2.30 -1.52 0.00 0.00 175.55 171.99 1kkc n PRO 24 N -0.34 -0.13 0.31 -3.49 -0.02 -1.26 -4.89 135.00 125.19 1kkc n PRO 24 Ca -0.14 0.03 0.20 0.00 -2.02 0.00 0.00 63.50 61.56 1kkc n PRO 24 Cb 0.64 -2.25 1.00 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.34 0.00 -0.14 6.00 0.05 -1.98 -2.31 116.97 117.26 1kkc h TYR 25 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1kkc h TYR 25 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1kkc h TYR 25 CO 0.45 0.02 0.00 -0.40 -1.05 0.00 0.00 178.16 177.18 1kkc n ASP 26 N -3.20 2.56 0.21 3.88 5.75 -1.26 -4.06 116.55 120.43 1kkc n ASP 26 Ca -0.02 -1.74 0.15 0.00 -0.01 0.00 0.00 54.79 53.17 1kkc n ASP 26 Cb 0.16 -0.08 0.73 0.00 -1.03 0.00 0.00 41.12 40.89 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 3.05 1.00 -0.39 2.12 0.00 -1.76 -2.49 119.26 120.79 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 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 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 -2.57 3.48 -4.78 0.00 4.77 -1.26 -4.44 117.00 112.20 1kkc n LEU 28 Ca -0.01 -1.51 -0.32 0.00 -0.03 0.00 0.00 56.01 54.14 1kkc n LEU 28 Cb 0.13 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1kkc n LEU 28 CO 0.17 0.75 0.73 -1.10 -1.33 0.00 0.00 177.39 176.60 1kkc s GLN 29 N -1.48 2.84 -0.12 3.23 -0.21 -0.94 -1.21 119.66 121.77 1kkc s GLN 29 Ca 0.39 1.28 0.06 0.00 0.02 0.00 0.00 55.36 57.11 1kkc s GLN 29 Cb 0.23 -1.96 0.40 0.00 1.00 0.00 0.00 33.01 32.67 1kkc s GLN 29 CO 0.32 -1.20 1.14 -0.35 -2.12 0.00 0.00 175.29 173.07 1kkc n PRO 30 N -2.57 2.84 0.03 2.91 -0.04 -1.26 -4.86 135.00 132.05 1kkc n PRO 30 Ca 0.10 -1.54 -0.09 0.00 -0.04 0.00 0.00 63.50 61.92 1kkc n PRO 30 Cb 0.52 -1.86 -0.13 0.00 -0.04 0.00 0.00 33.50 31.99 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 1.87 0.08 -2.93 0.54 0.05 -1.50 -3.44 116.97 111.64 1kkc h TYR 31 Ca 0.02 -0.06 -0.31 0.00 0.05 0.00 0.00 58.73 58.43 1kkc h TYR 31 Cb 1.28 -0.00 -0.36 0.00 1.01 0.00 0.00 36.73 38.65 1kkc h TYR 31 CO 0.56 1.07 -0.64 0.42 -1.05 0.00 0.00 178.16 178.52 1kkc s ILE 32 N -2.65 -0.27 0.87 -2.88 1.01 -0.89 -4.82 121.20 111.58 1kkc s ILE 32 Ca -0.03 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 1kkc s ILE 32 Cb 0.09 -0.42 0.12 0.00 0.01 0.00 0.00 42.46 42.25 1kkc s ILE 32 CO 0.83 0.02 1.13 -0.94 0.00 0.00 0.00 174.94 175.98 1kkc s SER 33 N 2.29 3.40 0.19 3.58 1.04 -1.26 -3.23 113.70 119.72 1kkc s SER 33 Ca 0.04 2.10 -0.10 0.00 0.48 0.00 0.00 55.95 58.47 1kkc s SER 33 Cb -0.13 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.54 1kkc s SER 33 CO -0.08 -2.78 1.72 -0.61 0.98 0.00 0.00 173.24 172.48 1kkc h GLN 34 N -1.60 1.06 -0.56 4.02 4.15 -1.90 -1.75 115.11 118.53 1kkc h GLN 34 Ca -0.43 -0.23 0.04 0.00 0.77 0.00 0.00 58.65 58.79 1kkc h GLN 34 Cb 1.26 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 1kkc h GLN 34 CO 0.45 0.92 0.32 0.37 -1.93 0.00 0.00 178.83 178.95 1kkc h GLN 35 N 1.00 0.60 0.07 1.69 4.15 -1.92 -0.22 115.11 120.48 1kkc h GLN 35 Ca 0.22 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1kkc h GLN 35 Cb 0.30 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1kkc h GLN 35 CO -0.01 0.40 -0.03 0.82 -1.93 0.00 0.00 178.83 178.08 1kkc h ILE 36 N 0.62 1.02 -0.48 2.39 2.04 -1.85 -2.09 117.51 119.16 1kkc h ILE 36 Ca 0.23 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1kkc h ILE 36 Cb 0.07 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1kkc h ILE 36 CO -0.12 0.07 0.14 0.24 0.00 0.00 0.00 178.15 178.47 1kkc h MET 37 N -0.21 0.28 -0.30 2.37 2.86 -0.95 0.31 114.93 119.29 1kkc h MET 37 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1kkc h MET 37 Cb 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1kkc h MET 37 CO 0.01 0.19 0.18 0.93 1.06 0.00 0.00 176.91 179.28 1kkc h GLU 38 N 0.29 0.40 -0.08 1.72 5.08 -0.95 -0.89 114.58 120.16 1kkc h GLU 38 Ca 0.23 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1kkc h GLU 38 Cb 0.28 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1kkc h GLU 38 CO -0.27 0.31 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.92 1kkc h LEU 39 N 0.39 0.18 -0.72 1.33 3.38 -1.00 0.74 115.31 119.61 1kkc h LEU 39 Ca 0.11 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.70 1kkc h LEU 39 Cb 0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1kkc h LEU 39 CO -0.02 0.59 0.40 -0.74 0.09 0.00 0.00 178.44 178.76 1kkc h HIS 40 N -0.23 0.74 0.00 1.13 2.76 -0.33 0.91 115.15 120.13 1kkc h HIS 40 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1kkc h HIS 40 Cb 0.53 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1kkc h HIS 40 CO 0.08 0.35 -0.17 1.25 -1.30 0.00 0.00 177.93 178.13 1kkc h HIS 41 N 0.73 0.00 0.00 5.26 -0.00 -1.20 -0.21 115.15 119.73 1kkc h HIS 41 Ca 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.63 1kkc h HIS 41 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1kkc h HIS 41 CO -0.07 0.19 -0.29 0.87 -0.00 0.00 0.00 177.93 178.63 1kkc h LYS 42 N -1.00 0.00 0.00 5.26 1.57 -0.91 -2.95 116.57 118.54 1kkc h LYS 42 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1kkc h LYS 42 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1kkc h LYS 42 CO -0.01 0.29 0.00 1.63 -0.57 0.00 0.00 179.45 180.79 1kkc n LYS 43 N -3.51 0.00 0.31 3.15 4.01 0.24 -4.39 118.16 117.97 1kkc n LYS 43 Ca -0.00 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.61 1kkc n LYS 43 Cb 0.45 -0.37 -0.10 0.00 -0.51 0.00 0.00 35.03 34.50 1kkc n LYS 43 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1kkc h HIS 44 N 0.00 -1.38 -0.58 2.13 3.86 -1.39 -0.06 115.15 117.72 1kkc h HIS 44 Ca 0.00 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1kkc h HIS 44 Cb 0.00 0.53 -0.05 0.00 1.06 0.00 0.00 27.41 28.96 1kkc h HIS 44 CO 0.00 -0.68 0.32 1.25 0.86 0.00 0.00 177.93 179.68 1kkc h HIS 45 N -1.03 0.59 -0.91 2.45 -0.00 -1.07 -1.38 115.15 113.79 1kkc h HIS 45 Ca -0.07 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.42 1kkc h HIS 45 Cb 0.88 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 28.04 1kkc h HIS 45 CO -0.24 0.30 0.55 0.37 -0.00 0.00 0.00 177.93 178.92 1kkc h GLN 46 N 0.61 0.90 -0.84 5.26 5.75 -1.33 -1.56 115.11 123.91 1kkc h GLN 46 Ca 0.25 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1kkc h GLN 46 Cb 0.13 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 1kkc h GLN 46 CO -0.15 0.59 0.56 1.15 -2.65 0.00 0.00 178.83 178.33 1kkc h THR 47 N 0.93 1.21 -0.18 2.39 2.02 0.12 -0.29 112.91 119.11 1kkc h THR 47 Ca 0.44 -0.39 -0.16 0.00 0.77 0.00 0.00 66.41 67.07 1kkc h THR 47 Cb 0.37 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1kkc h THR 47 CO -0.24 0.21 -0.55 1.88 0.37 0.00 0.00 175.52 177.19 1kkc h TYR 48 N 1.13 0.69 0.18 3.16 0.05 -0.97 0.14 116.97 121.35 1kkc h TYR 48 Ca 0.31 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1kkc h TYR 48 Cb -0.12 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.49 1kkc h TYR 48 CO -0.00 0.97 -0.09 0.28 -1.05 0.00 0.00 178.16 178.28 1kkc h VAL 49 N 0.42 0.86 -0.78 -2.88 2.07 -0.60 0.12 116.25 115.46 1kkc h VAL 49 Ca 0.01 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1kkc h VAL 49 Cb 1.09 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1kkc h VAL 49 CO 0.10 0.04 0.51 0.78 0.02 0.00 0.00 177.57 179.03 1kkc h ASN 50 N -0.33 0.87 -0.65 0.57 -0.26 -1.02 -1.51 115.58 113.25 1kkc h ASN 50 Ca -0.03 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1kkc h ASN 50 Cb 0.26 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 1kkc h ASN 50 CO 0.04 0.62 0.31 1.23 -1.06 0.00 0.00 177.43 178.57 1kkc h GLY 51 N 1.03 1.03 0.73 2.83 0.00 -0.67 -1.43 103.07 106.59 1kkc h GLY 51 Ca 0.29 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1kkc h GLY 51 CO -0.08 0.48 -0.06 -2.00 0.00 0.00 0.00 176.54 174.89 1kkc h LEU 52 N 0.96 0.27 -0.33 3.11 5.85 -0.26 -1.34 115.31 123.56 1kkc h LEU 52 Ca 0.23 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1kkc h LEU 52 Cb 0.12 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1kkc h LEU 52 CO -0.03 0.61 0.10 0.78 -0.34 0.00 0.00 178.44 179.57 1kkc h ASN 53 N -0.08 0.10 -0.48 1.25 2.35 -1.10 -1.10 115.58 116.52 1kkc h ASN 53 Ca 0.03 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1kkc h ASN 53 Cb 0.51 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1kkc h ASN 53 CO 0.02 0.09 0.11 0.00 -1.65 0.00 0.00 177.43 176.00 1kkc h ALA 54 N 1.22 0.64 -0.82 -0.83 0.00 -1.24 -2.42 119.26 115.80 1kkc h ALA 54 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1kkc h ALA 54 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1kkc h ALA 54 CO -0.17 0.33 0.41 0.00 0.00 0.00 0.00 179.25 179.83 1kkc h ALA 55 N 0.98 1.06 -0.42 0.00 0.00 -0.98 -1.58 119.26 118.33 1kkc h ALA 55 Ca 0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1kkc h ALA 55 Cb 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1kkc h ALA 55 CO 0.00 0.61 -0.09 -0.07 0.00 0.00 0.00 179.25 179.70 1kkc h LEU 56 N 1.16 0.72 -0.34 0.00 3.38 -1.06 -0.29 115.31 118.88 1kkc h LEU 56 Ca 0.28 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1kkc h LEU 56 Cb 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1kkc h LEU 56 CO -0.04 0.84 -0.36 -0.08 0.09 0.00 0.00 178.44 178.90 1kkc h GLU 57 N 0.67 0.84 -0.02 1.13 4.57 -1.17 -1.67 114.58 118.92 1kkc h GLU 57 Ca 0.12 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 57.78 1kkc h GLU 57 Cb 0.55 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1kkc h GLU 57 CO 0.03 1.09 -0.31 0.00 -1.18 0.00 0.00 179.01 178.64 1kkc h ALA 58 N 0.73 1.44 -0.31 2.92 0.00 -1.08 -1.92 119.26 121.04 1kkc h ALA 58 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1kkc h ALA 58 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1kkc h ALA 58 CO 0.09 0.41 -0.28 0.37 0.00 0.00 0.00 179.25 179.84 1kkc h GLN 59 N 0.04 0.74 -0.46 0.00 -0.00 -0.74 -2.05 115.11 112.64 1kkc h GLN 59 Ca 0.00 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.65 58.18 1kkc h GLN 59 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.04 1kkc h GLN 59 CO 0.04 1.00 -0.07 -0.22 0.00 0.00 0.00 178.83 179.58 1kkc h LYS 60 N 0.50 0.86 -0.50 1.69 3.64 -1.02 -1.45 116.57 120.30 1kkc h LYS 60 Ca 0.05 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1kkc h LYS 60 Cb 0.84 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1kkc h LYS 60 CO 0.07 0.95 0.09 0.87 -2.27 0.00 0.00 179.45 179.16 1kkc h LYS 61 N 0.71 0.77 -0.27 1.90 1.57 -1.34 -1.50 116.57 118.41 1kkc h LYS 61 Ca 0.12 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1kkc h LYS 61 Cb 0.61 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1kkc h LYS 61 CO 0.04 0.72 -0.40 0.00 -0.57 0.00 0.00 179.45 179.23 1kkc h ALA 62 N 1.36 0.41 -0.58 3.86 0.00 -1.20 -2.57 119.26 120.54 1kkc h ALA 62 Ca 0.16 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1kkc h ALA 62 Cb 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1kkc h ALA 62 CO 0.00 0.52 0.20 0.00 0.00 0.00 0.00 179.25 179.97 1kkc h ALA 63 N 0.67 1.26 0.00 0.00 0.00 -1.00 0.09 119.26 120.28 1kkc h ALA 63 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1kkc h ALA 63 Cb 1.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1kkc h ALA 63 CO 0.09 0.53 0.00 0.93 0.00 0.00 0.00 179.25 180.81 1kkc h GLU 64 N 0.84 0.00 -0.38 0.00 5.08 -1.24 -2.90 114.58 115.98 1kkc h GLU 64 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1kkc h GLU 64 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1kkc h GLU 64 CO -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1kkc n ALA 65 N -1.87 2.40 -2.46 3.43 0.00 -0.70 -4.94 120.51 116.37 1kkc n ALA 65 Ca 0.04 -1.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 1kkc n ALA 65 Cb 0.39 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 1.37 -1.07 -3.09 0.00 -1.04 -0.69 -4.91 114.28 104.84 1kkc n THR 66 Ca 0.18 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.74 1kkc n THR 66 Cb 0.57 -3.00 -0.02 0.00 -1.82 0.00 0.00 70.33 66.07 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 -2.11 6.71 0.17 8.00 -1.08 -0.07 -4.89 116.67 123.41 1kkc s ASP 67 Ca 0.03 -2.36 -0.11 0.00 -0.52 0.00 0.00 52.55 49.58 1kkc s ASP 67 Cb -0.01 -2.32 0.06 0.00 -1.46 0.00 0.00 42.92 39.18 1kkc s ASP 67 CO 0.03 -0.84 1.67 0.58 0.52 0.00 0.00 175.17 177.12 1kkc h VAL 68 N 5.34 1.25 -0.39 1.11 2.07 -1.91 -1.27 116.25 122.46 1kkc h VAL 68 Ca 0.14 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1kkc h VAL 68 Cb 1.02 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1kkc h VAL 68 CO 0.97 0.35 0.22 -0.65 0.02 0.00 0.00 177.57 178.47 1kkc h PRO 69 N 0.84 0.42 -0.39 1.57 0.11 -1.98 -0.54 132.00 132.03 1kkc h PRO 69 Ca 0.18 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 1kkc h PRO 69 Cb 0.38 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1kkc h PRO 69 CO 0.01 0.28 -0.14 -0.22 -0.21 0.00 0.00 178.00 177.72 1kkc h LYS 70 N 0.44 0.72 -0.53 1.05 1.63 -1.94 -1.86 116.57 116.08 1kkc h LYS 70 Ca 0.16 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1kkc h LYS 70 Cb 0.03 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1kkc h LYS 70 CO -0.09 0.83 0.20 -0.07 -3.45 0.00 0.00 179.45 176.86 1kkc h LEU 71 N 0.65 0.75 -0.35 5.20 3.38 -0.78 -2.79 115.31 121.37 1kkc h LEU 71 Ca 0.11 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1kkc h LEU 71 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1kkc h LEU 71 CO 0.04 0.73 -0.22 0.58 0.09 0.00 0.00 178.44 179.66 1kkc h VAL 72 N 0.72 1.29 -0.52 1.22 2.07 -0.95 -3.25 116.25 116.83 1kkc h VAL 72 Ca 0.17 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1kkc h VAL 72 Cb 0.23 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1kkc h VAL 72 CO -0.01 0.44 0.31 0.77 0.02 0.00 0.00 177.57 179.10 1kkc h SER 73 N 0.54 0.49 0.41 0.57 4.64 -1.25 -2.15 113.55 116.80 1kkc h SER 73 Ca 0.07 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1kkc h SER 73 Cb 0.77 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1kkc h SER 73 CO 0.06 0.35 0.00 0.55 -0.87 0.00 0.00 176.83 176.92 1kkc n VAL 74 N -4.80 0.52 0.04 0.95 3.14 -1.06 -3.19 118.33 113.93 1kkc n VAL 74 Ca 0.04 0.13 0.03 0.00 -2.96 0.00 0.00 64.34 61.57 1kkc n VAL 74 Cb 0.08 -0.82 0.40 0.00 -1.06 0.00 0.00 33.84 32.44 1kkc n VAL 74 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1kkc h GLN 75 N 0.00 0.43 -0.26 1.45 5.75 -1.42 -2.03 115.11 119.04 1kkc h GLN 75 Ca 0.00 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 1kkc h GLN 75 Cb 0.20 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1kkc h GLN 75 CO 0.00 0.39 -0.29 0.37 -2.65 0.00 0.00 178.83 176.65 1kkc h GLN 76 N 0.43 0.52 -0.20 1.69 5.75 -1.73 -1.08 115.11 120.49 1kkc h GLN 76 Ca 0.11 -0.21 -0.14 0.00 -0.15 0.00 0.00 58.65 58.25 1kkc h GLN 76 Cb 0.14 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1kkc h GLN 76 CO -0.01 0.76 -0.45 0.00 -2.65 0.00 0.00 178.83 176.48 1kkc h ALA 77 N 1.24 0.84 -0.30 3.38 0.00 -1.60 0.83 119.26 123.65 1kkc h ALA 77 Ca 0.06 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1kkc h ALA 77 Cb 0.73 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1kkc h ALA 77 CO 0.06 0.66 -0.34 0.82 0.00 0.00 0.00 179.25 180.44 1kkc h ILE 78 N 0.41 1.29 -0.05 0.00 2.04 -1.25 -0.50 117.51 119.45 1kkc h ILE 78 Ca 0.03 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 1kkc h ILE 78 Cb 0.96 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1kkc h ILE 78 CO 0.08 0.49 0.02 0.50 0.00 0.00 0.00 178.15 179.24 1kkc h LYS 79 N 0.53 0.08 0.26 2.37 3.64 -0.95 0.39 116.57 122.89 1kkc h LYS 79 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1kkc h LYS 79 Cb 0.92 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1kkc h LYS 79 CO 0.08 0.23 -0.12 0.35 -2.27 0.00 0.00 179.45 177.72 1kkc h PHE 80 N -0.09 -0.32 -0.22 1.91 3.57 -0.83 -0.53 116.94 120.43 1kkc h PHE 80 Ca 0.02 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.32 1kkc h PHE 80 Cb 0.18 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1kkc h PHE 80 CO -0.01 -0.00 -0.61 -0.91 -2.23 0.00 0.00 178.31 174.55 1kkc h ASN 81 N -0.66 0.92 -0.37 0.41 4.21 -1.18 -0.08 115.58 118.83 1kkc h ASN 81 Ca -0.04 -0.58 -0.12 0.00 1.21 0.00 0.00 56.30 56.78 1kkc h ASN 81 Cb 0.47 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 1kkc h ASN 81 CO 0.06 1.33 -0.19 1.23 -1.29 0.00 0.00 177.43 178.56 1kkc h GLY 82 N 0.55 0.93 1.22 2.83 0.00 -1.01 0.34 103.07 107.93 1kkc h GLY 82 Ca -0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 1kkc h GLY 82 CO 0.13 0.71 -0.21 -1.33 0.00 0.00 0.00 176.54 175.84 1kkc h GLY 83 N 0.95 0.97 1.04 4.60 0.00 -1.06 -1.37 103.07 108.19 1kkc h GLY 83 Ca 0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 1kkc h GLY 83 CO 0.06 0.77 0.20 -1.33 0.00 0.00 0.00 176.54 176.24 1kkc h GLY 84 N 0.92 1.17 0.85 4.60 0.00 -0.61 -0.08 103.07 109.92 1kkc h GLY 84 Ca 0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1kkc h GLY 84 CO 0.06 0.65 0.05 0.84 0.00 0.00 0.00 176.54 178.14 1kkc h HIS 85 N 1.02 0.34 0.38 5.60 6.17 -0.76 -1.83 115.15 126.07 1kkc h HIS 85 Ca 0.22 -0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 1kkc h HIS 85 Cb 0.32 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.16 1kkc h HIS 85 CO 0.02 0.44 -0.19 0.82 0.71 0.00 0.00 177.93 179.74 1kkc h ILE 86 N 0.14 0.61 -0.08 6.26 2.04 -1.13 -1.74 117.51 123.61 1kkc h ILE 86 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1kkc h ILE 86 Cb 0.27 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1kkc h ILE 86 CO 0.00 0.00 -0.08 0.78 0.00 0.00 0.00 178.15 178.85 1kkc h ASN 87 N -0.52 -0.25 -0.48 1.72 2.35 -0.99 -1.67 115.58 115.74 1kkc h ASN 87 Ca -0.05 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1kkc h ASN 87 Cb 0.41 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1kkc h ASN 87 CO 0.08 -0.11 -0.04 0.45 -1.65 0.00 0.00 177.43 176.15 1kkc h HIS 88 N -0.10 1.01 -0.64 1.19 3.86 -1.37 -0.57 115.15 118.54 1kkc h HIS 88 Ca 0.06 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1kkc h HIS 88 Cb 0.19 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 1kkc h HIS 88 CO -0.19 0.93 0.36 0.77 0.86 0.00 0.00 177.93 180.67 1kkc h SER 89 N 0.85 0.79 -0.19 2.45 0.02 -1.12 -1.36 113.55 114.98 1kkc h SER 89 Ca 0.15 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1kkc h SER 89 Cb 0.56 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1kkc h SER 89 CO 0.03 0.65 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.18 1kkc h LEU 90 N 0.87 0.56 0.14 5.07 3.38 -1.04 -3.18 115.31 121.10 1kkc h LEU 90 Ca 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1kkc h LEU 90 Cb 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1kkc h LEU 90 CO -0.04 0.71 -0.07 0.15 0.09 0.00 0.00 178.44 179.29 1kkc h PHE 91 N 0.53 -0.17 -1.00 1.13 3.57 -0.11 -2.12 116.94 118.77 1kkc h PHE 91 Ca 0.10 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1kkc h PHE 91 Cb 0.52 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1kkc h PHE 91 CO 0.02 0.03 0.65 -1.49 -2.23 0.00 0.00 178.31 175.29 1kkc h TRP 92 N -0.34 1.21 0.00 0.41 -0.00 -1.31 -2.21 115.95 113.71 1kkc h TRP 92 Ca -0.02 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.86 1kkc h TRP 92 Cb 0.27 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 1kkc h TRP 92 CO -0.02 0.64 -0.22 0.87 -0.00 0.00 0.00 178.44 179.71 1kkc h LYS 93 N 1.20 0.00 -0.87 0.49 1.57 -1.52 -2.97 116.57 114.47 1kkc h LYS 93 Ca 0.42 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.88 1kkc h LYS 93 Cb 0.13 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.24 1kkc h LYS 93 CO -0.16 0.22 0.41 0.27 -0.57 0.00 0.00 179.45 179.62 1kkc n ASN 94 N -3.35 4.29 -4.29 0.86 0.23 -0.81 -4.78 115.26 107.41 1kkc n ASN 94 Ca 0.00 -3.29 -0.20 0.00 -0.53 0.00 0.00 54.58 50.56 1kkc n ASN 94 Cb 0.45 -0.77 -0.11 0.00 -2.08 0.00 0.00 39.78 37.26 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 -2.92 2.42 -0.23 -4.53 1.43 -1.12 -0.46 118.68 113.27 1kkc s LEU 95 Ca 0.53 -0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 1kkc s LEU 95 Cb 0.43 -0.71 0.15 0.00 0.03 0.00 0.00 46.19 46.08 1kkc s LEU 95 CO 0.12 -0.08 1.14 0.00 0.23 0.00 0.00 176.35 177.76 1kkc s ALA 96 N -2.04 -2.02 0.74 4.21 0.00 0.15 -4.45 121.76 118.35 1kkc s ALA 96 Ca 0.12 1.72 -0.15 0.00 0.00 0.00 0.00 51.96 53.66 1kkc s ALA 96 Cb -0.06 -1.16 0.04 0.00 0.00 0.00 0.00 23.12 21.94 1kkc s ALA 96 CO 0.05 -0.25 1.20 -2.14 0.00 0.00 0.00 175.76 174.62 1kkc s PRO 97 N -0.70 2.08 0.37 0.00 0.02 -1.26 -3.70 135.00 131.82 1kkc s PRO 97 Ca 0.03 1.74 0.12 0.00 0.02 0.00 0.00 61.00 62.90 1kkc s PRO 97 Cb -0.02 -1.83 0.91 0.00 0.02 0.00 0.00 34.50 33.59 1kkc s PRO 97 CO -0.04 -1.87 1.85 0.93 -0.33 0.00 0.00 177.00 177.54 1kkc h GLU 98 N -0.39 0.57 0.00 5.54 5.08 -1.80 0.22 114.58 123.80 1kkc h GLU 98 Ca -0.47 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 1kkc h GLU 98 Cb 1.29 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1kkc h GLU 98 CO 0.49 0.38 -0.30 1.57 -1.00 0.00 0.00 179.01 180.15 1kkc h LYS 99 N 0.59 0.00 -0.78 2.33 2.10 -1.90 -3.08 116.57 115.83 1kkc h LYS 99 Ca 0.47 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.98 1kkc h LYS 99 Cb 0.91 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.16 1kkc h LYS 99 CO -0.21 0.30 0.18 0.43 -2.00 0.00 0.00 179.45 178.14 1kkc n SER 100 N -3.37 4.38 0.00 7.07 7.64 0.39 -4.84 113.62 124.88 1kkc n SER 100 Ca 0.01 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1kkc n SER 100 Cb 0.51 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.06 0.73 3.70 0.23 0.00 -1.14 -4.74 105.19 104.03 1kkc n GLY 101 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.54 1.42 0.00 -0.02 0.00 0.51 -1.95 107.32 105.74 1kkc s GLY 102 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1kkc s GLY 102 CO 0.00 2.97 0.00 0.61 0.00 0.00 0.00 173.10 176.68 1kkc n GLY 103 N 4.07 0.76 2.85 0.20 0.00 0.54 -4.38 105.19 109.22 1kkc n GLY 103 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.15 -0.24 1.61 4.76 -0.82 -4.78 118.16 119.82 1kkc n LYS 104 Ca 0.00 -2.99 0.22 0.00 -2.87 0.00 0.00 58.31 52.67 1kkc n LYS 104 Cb 0.01 -3.17 0.56 0.00 -1.84 0.00 0.00 35.03 30.58 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 4.03 0.62 0.00 -0.18 6.09 -1.91 0.26 117.51 126.41 1kkc h ILE 105 Ca 0.50 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.88 1kkc h ILE 105 Cb 0.66 0.28 0.00 0.00 0.47 0.00 0.00 36.82 38.23 1kkc h ILE 105 CO 1.75 0.06 0.00 0.47 -3.07 0.00 0.00 178.15 177.36 1kkc n ASP 106 N -4.47 0.00 -0.24 2.19 8.00 -1.26 -0.93 116.55 119.85 1kkc n ASP 106 Ca 0.20 -0.27 0.11 0.00 0.71 0.00 0.00 54.79 55.54 1kkc n ASP 106 Cb 0.80 -0.14 0.56 0.00 -0.02 0.00 0.00 41.12 42.31 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 -1.14 1.31 -3.24 -1.24 6.02 0.90 -3.92 117.38 116.08 1kkc n GLN 107 Ca 0.11 -0.47 -0.24 0.00 -0.01 0.00 0.00 57.00 56.39 1kkc n GLN 107 Cb 0.10 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.35 3.17 -0.02 -1.58 0.00 -0.10 -4.47 120.51 117.15 1kkc n ALA 108 Ca 0.17 -4.00 -0.10 0.00 0.00 0.00 0.00 53.44 49.50 1kkc n ALA 108 Cb 0.19 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 3.79 -0.38 0.21 0.00 0.11 -1.76 0.20 132.00 134.17 1kkc h PRO 109 Ca 0.12 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1kkc h PRO 109 Cb 0.78 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1kkc h PRO 109 CO 0.63 -0.25 -0.10 0.28 -0.21 0.00 0.00 178.00 178.35 1kkc h VAL 110 N -0.39 0.83 -0.42 3.15 2.07 -1.95 -0.77 116.25 118.77 1kkc h VAL 110 Ca 0.11 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1kkc h VAL 110 Cb 0.57 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1kkc h VAL 110 CO -0.41 0.04 0.26 0.25 0.02 0.00 0.00 177.57 177.74 1kkc h LEU 111 N -0.36 0.43 -0.84 2.57 5.85 -1.88 -1.81 115.31 119.28 1kkc h LEU 111 Ca -0.03 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1kkc h LEU 111 Cb 0.28 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1kkc h LEU 111 CO 0.05 0.31 0.47 0.50 -0.34 0.00 0.00 178.44 179.43 1kkc h LYS 112 N 0.53 1.17 -0.65 1.25 3.64 -0.86 0.54 116.57 122.19 1kkc h LYS 112 Ca 0.16 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1kkc h LYS 112 Cb -0.02 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 1kkc h LYS 112 CO -0.06 0.85 0.37 0.00 -2.27 0.00 0.00 179.45 178.35 1kkc h ALA 113 N 1.25 0.83 -0.69 5.00 0.00 -0.82 -0.48 119.26 124.36 1kkc h ALA 113 Ca 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1kkc h ALA 113 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1kkc h ALA 113 CO -0.05 0.33 0.24 0.00 0.00 0.00 0.00 179.25 179.77 1kkc h ALA 114 N 1.19 1.12 -0.29 0.00 0.00 -0.55 -1.34 119.26 119.39 1kkc h ALA 114 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1kkc h ALA 114 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1kkc h ALA 114 CO -0.04 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.62 1kkc h ILE 115 N 1.01 1.27 -0.71 0.00 2.04 -0.33 -2.12 117.51 118.66 1kkc h ILE 115 Ca 0.23 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1kkc h ILE 115 Cb 0.25 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1kkc h ILE 115 CO -0.01 0.32 0.28 -0.33 0.00 0.00 0.00 178.15 178.40 1kkc h GLU 116 N 0.31 1.04 0.00 2.37 5.08 -0.93 0.18 114.58 122.62 1kkc h GLU 116 Ca 0.08 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1kkc h GLU 116 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1kkc h GLU 116 CO 0.02 0.85 -0.31 0.37 -1.00 0.00 0.00 179.01 178.94 1kkc h GLN 117 N 1.02 0.00 0.06 2.33 -0.00 -1.14 0.28 115.11 117.66 1kkc h GLN 117 Ca 0.24 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.64 1kkc h GLN 117 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 1kkc h GLN 117 CO -0.02 0.31 -1.34 -0.09 0.00 0.00 0.00 178.83 177.69 1kkc h ARG 118 N 0.00 0.12 -0.20 1.69 9.65 -0.61 -3.40 114.38 121.64 1kkc h ARG 118 Ca -0.00 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1kkc h ARG 118 Cb 0.60 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1kkc h ARG 118 CO 0.04 1.10 0.00 0.91 2.80 0.00 0.00 179.97 184.82 1kkc n TRP 119 N -4.13 0.25 0.00 2.20 8.01 0.53 -4.98 117.44 119.32 1kkc n TRP 119 Ca -0.28 -0.16 0.00 0.00 -1.31 0.00 0.00 57.50 55.75 1kkc n TRP 119 Cb 0.80 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.09 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 1.08 2.31 3.33 6.99 0.00 0.99 -4.64 105.19 115.24 1kkc n GLY 120 Ca 0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.12 0.22 1.61 1.04 -1.24 -4.72 113.70 110.49 1kkc s SER 121 Ca 0.00 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.87 1kkc s SER 121 Cb 0.00 0.46 0.19 0.00 0.10 0.00 0.00 66.02 66.77 1kkc s SER 121 CO 0.00 -0.86 1.77 0.15 0.98 0.00 0.00 173.24 175.28 1kkc h PHE 122 N 2.45 1.15 -0.43 5.02 3.57 -1.91 -2.07 116.94 124.72 1kkc h PHE 122 Ca -0.33 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 60.96 1kkc h PHE 122 Cb 1.24 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1kkc h PHE 122 CO 0.36 0.90 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.73 1kkc h ASP 123 N 1.08 0.82 -0.11 0.41 3.32 -1.96 -1.59 116.42 118.39 1kkc h ASP 123 Ca 0.24 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1kkc h ASP 123 Cb 0.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1kkc h ASP 123 CO -0.01 0.99 -0.13 0.11 -1.72 0.00 0.00 179.24 178.47 1kkc h LYS 124 N 0.72 0.46 -0.31 3.56 1.57 -1.79 -2.07 116.57 118.71 1kkc h LYS 124 Ca 0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1kkc h LYS 124 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1kkc h LYS 124 CO 0.05 0.59 0.15 0.35 -0.57 0.00 0.00 179.45 180.02 1kkc h PHE 125 N 0.43 0.44 -0.69 -1.35 3.57 -0.84 -2.02 116.94 116.47 1kkc h PHE 125 Ca 0.08 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1kkc h PHE 125 Cb 0.49 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1kkc h PHE 125 CO 0.01 0.39 0.42 0.87 -2.23 0.00 0.00 178.31 177.77 1kkc h LYS 126 N 0.36 0.78 -0.63 1.11 1.57 -0.85 -0.12 116.57 118.79 1kkc h LYS 126 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1kkc h LYS 126 Cb 0.12 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1kkc h LYS 126 CO -0.01 0.51 0.23 -0.44 -0.57 0.00 0.00 179.45 179.17 1kkc h ASP 127 N 0.80 0.89 -0.21 0.86 3.32 -1.20 0.23 116.42 121.11 1kkc h ASP 127 Ca 0.29 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1kkc h ASP 127 Cb 0.08 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1kkc h ASP 127 CO -0.13 0.84 -0.13 0.00 -1.72 0.00 0.00 179.24 178.09 1kkc h ALA 128 N 1.09 1.13 -0.20 3.45 0.00 -0.89 -1.53 119.26 122.30 1kkc h ALA 128 Ca 0.21 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1kkc h ALA 128 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kkc h ALA 128 CO -0.01 0.55 -0.18 0.35 0.00 0.00 0.00 179.25 179.95 1kkc h PHE 129 N 0.55 0.56 -0.77 0.00 3.57 -0.63 -1.96 116.94 118.26 1kkc h PHE 129 Ca 0.10 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.49 1kkc h PHE 129 Cb 0.55 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1kkc h PHE 129 CO 0.02 0.82 0.46 -0.91 -2.23 0.00 0.00 178.31 176.48 1kkc h ASN 130 N 0.14 0.72 -0.61 0.41 2.35 -0.76 -0.16 115.58 117.67 1kkc h ASN 130 Ca 0.03 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1kkc h ASN 130 Cb 0.72 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 1kkc h ASN 130 CO 0.05 0.46 0.33 0.74 -1.65 0.00 0.00 177.43 177.36 1kkc h THR 131 N 0.85 1.20 -0.39 2.81 2.02 -1.13 -0.35 112.91 117.92 1kkc h THR 131 Ca 0.34 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1kkc h THR 131 Cb 0.16 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1kkc h THR 131 CO -0.17 0.21 0.20 0.74 0.37 0.00 0.00 175.52 176.87 1kkc h THR 132 N 0.83 1.16 -0.17 3.16 2.02 -0.61 -0.96 112.91 118.34 1kkc h THR 132 Ca 0.21 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1kkc h THR 132 Cb 0.04 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1kkc h THR 132 CO -0.03 0.17 -0.02 -0.07 0.37 0.00 0.00 175.52 175.94 1kkc h LEU 133 N 0.49 -0.11 -1.92 2.58 3.38 -0.65 -1.62 115.31 117.45 1kkc h LEU 133 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1kkc h LEU 133 Cb 0.10 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1kkc h LEU 133 CO -0.02 -0.03 -0.06 -0.07 0.09 0.00 0.00 178.44 178.35 1kkc h LEU 134 N 0.02 0.00 0.00 1.67 4.07 -0.87 -2.58 115.31 117.62 1kkc h LEU 134 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1kkc h LEU 134 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1kkc h LEU 134 CO -0.15 0.06 -0.06 0.61 -1.08 0.00 0.00 178.44 177.82 1kkc n GLY 135 N -0.44 -1.66 3.73 0.83 0.00 -0.38 -4.86 105.19 102.41 1kkc n GLY 135 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.10 2.07 -0.23 -0.61 1.01 -0.97 -4.97 121.20 114.40 1kkc s ILE 136 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.72 1kkc s ILE 136 Cb 0.13 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1kkc s ILE 136 CO 0.60 0.01 0.11 -1.10 0.00 0.00 0.00 174.94 174.56 1kkc s GLN 137 N 0.59 3.87 2.49 2.79 -0.21 -1.26 -4.97 119.66 122.97 1kkc s GLN 137 Ca 0.71 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1kkc s GLN 137 Cb -0.49 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.13 1kkc s GLN 137 CO 0.37 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 1kkc n GLY 138 N 4.45 -0.87 3.73 3.09 0.00 -1.26 -4.79 105.19 109.54 1kkc n GLY 138 Ca -0.16 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 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 7.48 0.02 1.61 0.01 -1.26 -4.86 113.70 112.70 1kkc s SER 139 Ca 0.00 1.77 -0.16 0.00 1.31 0.00 0.00 55.95 58.87 1kkc s SER 139 Cb 0.00 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.71 1kkc s SER 139 CO 0.00 -0.03 0.71 0.61 0.41 0.00 0.00 173.24 174.94 1kkc n GLY 140 N 2.18 0.54 3.14 3.44 0.00 -1.26 0.03 105.19 113.26 1kkc n GLY 140 Ca 0.01 -0.99 -0.16 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 -2.83 1.02 -0.12 1.61 0.52 -0.27 -1.16 118.94 117.71 1kkc s TRP 141 Ca 0.17 -0.52 -0.02 0.00 0.02 0.00 0.00 56.10 55.74 1kkc s TRP 141 Cb -0.01 -0.58 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 1kkc s TRP 141 CO 0.01 0.00 -0.04 0.20 0.02 0.00 0.00 176.95 177.15 1kkc s GLY 142 N -1.89 1.74 0.04 0.98 0.00 -0.39 -2.04 107.32 105.77 1kkc s GLY 142 Ca -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.90 1kkc s GLY 142 CO 0.01 -0.30 -0.09 -0.98 0.00 0.00 0.00 173.10 171.74 1kkc s TRP 143 N -0.14 0.80 -0.21 1.90 0.52 0.21 -0.58 118.94 121.43 1kkc s TRP 143 Ca 0.03 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.71 1kkc s TRP 143 Cb -0.13 -0.47 -0.01 0.00 -1.15 0.00 0.00 33.47 31.71 1kkc s TRP 143 CO 0.02 -0.03 -0.03 -1.17 0.02 0.00 0.00 176.95 175.76 1kkc s LEU 144 N -1.29 2.99 0.30 2.99 2.96 -0.72 -0.96 118.68 124.93 1kkc s LEU 144 Ca -0.05 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 1kkc s LEU 144 Cb -0.08 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 1kkc s LEU 144 CO 0.01 0.00 0.01 0.68 -1.32 0.00 0.00 176.35 175.73 1kkc s VAL 145 N 1.35 1.32 0.03 1.68 -7.23 0.44 -0.14 120.40 117.84 1kkc s VAL 145 Ca 0.04 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1kkc s VAL 145 Cb -0.14 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1kkc s VAL 145 CO -0.01 -0.15 -0.06 0.28 -0.31 0.00 0.00 175.10 174.85 1kkc s THR 146 N -3.22 0.38 -0.71 5.32 -1.32 -0.67 -1.10 115.64 114.31 1kkc s THR 146 Ca 0.33 -0.92 0.25 0.00 -1.21 0.00 0.00 61.69 60.13 1kkc s THR 146 Cb 0.07 -0.46 0.25 0.00 -1.51 0.00 0.00 72.50 70.85 1kkc s THR 146 CO 0.13 -0.37 1.75 -0.90 -2.21 0.00 0.00 174.62 173.02 1kkc n ASP 147 N 1.68 0.57 -2.98 8.08 5.68 -1.05 -1.11 116.55 127.42 1kkc n ASP 147 Ca -0.22 0.59 0.03 0.00 -0.50 0.00 0.00 54.79 54.69 1kkc n ASP 147 Cb 0.55 -0.73 0.01 0.00 -1.14 0.00 0.00 41.12 39.81 1kkc n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kkc n GLY 148 N 0.78 0.21 3.68 6.12 0.00 -1.26 -4.80 105.19 109.92 1kkc n GLY 148 Ca 0.04 -0.94 -0.50 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.65 1.95 -3.17 1.61 -0.04 -1.24 -0.54 135.00 132.92 1kkc n PRO 149 Ca 0.04 0.71 -0.21 0.00 -0.04 0.00 0.00 63.50 64.01 1kkc n PRO 149 Cb 0.38 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 5.89 -3.41 0.00 0.54 5.02 -0.11 -4.93 118.16 121.16 1kkc n LYS 150 Ca 0.23 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1kkc n LYS 150 Cb 0.26 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 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 -1.16 0.52 3.74 0.72 0.00 0.30 -5.04 105.19 104.26 1kkc n GLY 151 Ca -0.05 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1kkc n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkc s LYS 152 N 1.30 4.68 0.23 1.61 -0.14 -1.26 -4.82 119.74 121.33 1kkc s LYS 152 Ca 0.00 1.56 -0.10 0.00 -1.36 0.00 0.00 55.97 56.07 1kkc s LYS 152 Cb 0.00 -3.32 -0.07 0.00 -1.68 0.00 0.00 37.83 32.75 1kkc s LYS 152 CO 0.00 0.20 0.56 -0.51 -0.76 0.00 0.00 175.35 174.84 1kkc s LEU 153 N -0.30 4.17 -0.12 3.17 1.43 -1.26 -2.53 118.68 123.24 1kkc s LEU 153 Ca 0.47 0.94 -0.24 0.00 -1.03 0.00 0.00 54.13 54.28 1kkc s LEU 153 Cb -0.26 -3.70 0.06 0.00 0.03 0.00 0.00 46.19 42.32 1kkc s LEU 153 CO 0.32 -0.08 0.58 -1.81 0.23 0.00 0.00 176.35 175.59 1kkc s ASP 154 N -2.34 -0.56 -0.20 2.29 1.01 -0.26 -4.99 116.67 111.61 1kkc s ASP 154 Ca 0.48 0.82 -0.09 0.00 0.71 0.00 0.00 52.55 54.46 1kkc s ASP 154 Cb -0.11 0.79 -0.05 0.00 1.01 0.00 0.00 42.92 44.56 1kkc s ASP 154 CO 0.21 -0.41 0.12 -0.63 0.21 0.00 0.00 175.17 174.66 1kkc s ILE 155 N -0.57 5.20 0.31 0.77 1.01 -1.26 -0.42 121.20 126.24 1kkc s ILE 155 Ca -0.07 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1kkc s ILE 155 Cb -0.03 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1kkc s ILE 155 CO 0.05 0.42 0.23 0.42 0.00 0.00 0.00 174.94 176.06 1kkc s THR 156 N 0.53 0.09 0.04 2.92 -4.23 -0.14 -5.00 115.64 109.86 1kkc s THR 156 Ca 0.06 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1kkc s THR 156 Cb -0.12 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 1kkc s THR 156 CO 0.00 0.00 -0.00 0.42 -0.54 0.00 0.00 174.62 174.50 1kkc s THR 157 N -3.55 0.18 0.07 3.99 -4.23 -1.26 -0.62 115.64 110.22 1kkc s THR 157 Ca 0.38 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1kkc s THR 157 Cb 0.03 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 1kkc s THR 157 CO 0.23 -0.83 -0.15 0.42 -0.54 0.00 0.00 174.62 173.75 1kkc s THR 158 N -3.24 1.17 0.14 3.99 -4.23 -0.86 -4.98 115.64 107.63 1kkc s THR 158 Ca 0.01 -1.31 -0.10 0.00 -1.18 0.00 0.00 61.69 59.11 1kkc s THR 158 Cb 0.03 -1.11 -0.06 0.00 1.34 0.00 0.00 72.50 72.69 1kkc s THR 158 CO -0.08 -0.19 0.46 -2.28 -0.54 0.00 0.00 174.62 171.99 1kkc s HIS 159 N -1.23 3.53 0.00 3.99 2.46 -1.26 -1.12 115.29 121.65 1kkc s HIS 159 Ca -0.01 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.34 1kkc s HIS 159 Cb -0.10 -2.19 0.00 0.00 -0.13 0.00 0.00 32.58 30.16 1kkc s HIS 159 CO 0.02 0.42 0.00 -0.25 -2.47 0.00 0.00 174.74 172.47 1kkc n ASP 160 N 0.46 0.00 -0.50 9.88 8.00 0.10 -1.15 116.55 133.35 1kkc n ASP 160 Ca -0.04 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.53 1kkc n ASP 160 Cb 0.52 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.79 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 8.48 2.51 -1.70 -1.24 1.13 -1.26 -4.29 117.38 121.00 1kkc n GLN 161 Ca 0.00 -2.41 -0.44 0.00 -1.94 0.00 0.00 57.00 52.21 1kkc n GLN 161 Cb 0.00 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.81 1kkc n GLN 161 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1kkc n ASP 162 N -0.53 3.31 -4.93 1.08 8.00 -0.30 -3.43 116.55 119.75 1kkc n ASP 162 Ca 0.15 1.12 -0.26 0.00 0.71 0.00 0.00 54.79 56.51 1kkc n ASP 162 Cb 0.64 -1.50 0.03 0.00 -0.02 0.00 0.00 41.12 40.27 1kkc n ASP 162 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1kkc s PRO 163 N -0.01 2.87 0.06 -0.24 0.04 -1.26 -4.66 135.00 131.80 1kkc s PRO 163 Ca 0.70 -0.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.30 1kkc s PRO 163 Cb -0.59 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.58 1kkc s PRO 163 CO 0.45 -0.68 1.27 0.08 0.04 0.00 0.00 177.00 178.15 1kkc s VAL 164 N -2.94 3.84 0.10 -0.36 1.01 -1.26 -5.02 120.40 115.77 1kkc s VAL 164 Ca 0.54 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.88 1kkc s VAL 164 Cb -0.10 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1kkc s VAL 164 CO 0.44 0.08 -0.14 0.42 0.00 0.00 0.00 175.10 175.90 1kkc s THR 165 N 1.31 1.22 -0.28 3.92 -4.23 -1.26 -4.39 115.64 111.92 1kkc s THR 165 Ca 0.60 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1kkc s THR 165 Cb -0.31 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.23 1kkc s THR 165 CO 0.29 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1kkc n GLY 166 N 0.91 0.53 3.66 3.99 0.00 -1.26 -4.95 105.19 108.08 1kkc n GLY 166 Ca -0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.83 -1.52 -0.27 4.61 0.00 -1.26 -4.92 121.76 116.56 1kkc s ALA 167 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 1kkc s ALA 167 Cb 0.00 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1kkc s ALA 167 CO 0.00 -0.91 0.11 0.00 0.00 0.00 0.00 175.76 174.96 1kkc s ALA 168 N -3.60 3.23 0.10 0.00 0.00 -0.27 -2.23 121.76 118.99 1kkc s ALA 168 Ca 0.08 -1.23 -0.31 0.00 0.00 0.00 0.00 51.96 50.50 1kkc s ALA 168 Cb -0.03 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.79 1kkc s ALA 168 CO -0.02 -0.66 1.59 -2.14 0.00 0.00 0.00 175.76 174.54 1kkc s PRO 169 N 1.62 4.22 -0.22 0.00 0.02 -1.26 -1.67 135.00 137.70 1kkc s PRO 169 Ca 0.06 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.26 1kkc s PRO 169 Cb -0.16 -3.41 -0.18 0.00 0.02 0.00 0.00 34.50 30.77 1kkc s PRO 169 CO 0.05 -0.66 -0.02 0.28 -0.33 0.00 0.00 177.00 176.32 1kkc n VAL 170 N 4.39 1.57 -3.55 3.83 0.31 0.80 -4.80 118.33 120.89 1kkc n VAL 170 Ca 0.15 -0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 63.97 1kkc n VAL 170 Cb 0.40 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.45 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 -2.48 -0.54 0.14 3.52 -0.12 -1.17 -4.40 117.98 112.92 1kkc s PHE 171 Ca -0.32 0.98 0.06 0.00 -0.05 0.00 0.00 56.93 57.60 1kkc s PHE 171 Cb 0.09 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1kkc s PHE 171 CO 0.59 -0.48 -0.14 0.20 -0.05 0.00 0.00 175.22 175.35 1kkc s GLY 172 N -1.01 1.13 -0.10 1.99 0.00 -1.26 -1.76 107.32 106.30 1kkc s GLY 172 Ca -0.06 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.31 1kkc s GLY 172 CO 0.06 -1.43 -0.15 0.14 0.00 0.00 0.00 173.10 171.71 1kkc s VAL 173 N -2.37 1.48 -0.15 1.40 1.01 0.25 -4.87 120.40 117.15 1kkc s VAL 173 Ca 0.12 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1kkc s VAL 173 Cb -0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1kkc s VAL 173 CO 0.03 0.44 1.18 -0.62 0.00 0.00 0.00 175.10 176.13 1kkc s ASP 174 N 0.87 7.02 -0.11 3.32 -1.08 -1.26 -1.26 116.67 124.18 1kkc s ASP 174 Ca -0.09 1.63 0.15 0.00 -0.52 0.00 0.00 52.55 53.72 1kkc s ASP 174 Cb -0.15 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.27 1kkc s ASP 174 CO 0.00 -0.68 1.42 0.23 0.52 0.00 0.00 175.17 176.66 1kkc n MET 175 N 6.14 3.15 -2.12 4.34 2.81 -0.31 -4.84 117.12 126.30 1kkc n MET 175 Ca 0.12 -2.61 -0.38 0.00 -1.81 0.00 0.00 57.70 53.02 1kkc n MET 175 Cb 0.46 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 -2.07 2.77 0.47 2.03 0.52 -1.20 -4.46 118.94 117.00 1kkc s TRP 176 Ca 0.38 1.47 0.14 0.00 0.02 0.00 0.00 56.10 58.11 1kkc s TRP 176 Cb 0.27 -3.54 1.12 0.00 -1.15 0.00 0.00 33.47 30.17 1kkc s TRP 176 CO 0.14 -1.90 2.08 0.93 0.02 0.00 0.00 176.95 178.22 1kkc h GLU 177 N 2.17 0.23 0.00 4.98 5.08 -1.92 -0.89 114.58 124.23 1kkc h GLU 177 Ca -0.50 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1kkc h GLU 177 Cb 1.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1kkc h GLU 177 CO 0.60 0.15 0.00 -2.39 -1.00 0.00 0.00 179.01 176.37 1kkc n HIS 178 N -4.49 0.80 0.83 4.33 1.44 -1.26 -0.61 115.22 116.25 1kkc n HIS 178 Ca 0.02 0.37 0.14 0.00 -2.01 0.00 0.00 57.72 56.23 1kkc n HIS 178 Cb 0.16 -1.09 0.52 0.00 0.12 0.00 0.00 29.99 29.70 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 -1.79 2.31 -0.27 1.59 0.00 -0.34 -4.55 120.51 117.47 1kkc n ALA 179 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1kkc n ALA 179 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.86 0.00 -0.19 0.00 4.11 -0.69 -4.99 117.16 113.55 1kkc n TYR 180 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.96 1kkc n TYR 180 Cb 0.38 0.00 0.10 0.00 -0.00 0.00 0.00 39.34 39.82 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 0.34 -0.64 -3.48 3.20 -1.04 0.29 116.97 115.64 1kkc h TYR 181 Ca 0.00 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.03 1kkc h TYR 181 Cb 0.00 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1kkc h TYR 181 CO 0.00 0.08 0.44 -0.07 -1.64 0.00 0.00 178.16 176.96 1kkc h LEU 182 N 0.37 0.31 0.00 2.82 3.38 -1.88 0.34 115.31 120.65 1kkc h LEU 182 Ca 0.29 0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.87 1kkc h LEU 182 Cb 0.37 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1kkc h LEU 182 CO -0.31 0.17 -2.48 1.67 0.09 0.00 0.00 178.44 177.58 1kkc n GLN 183 N -4.46 0.62 0.00 1.13 7.27 -0.83 -4.66 117.38 116.46 1kkc n GLN 183 Ca 0.11 0.18 0.10 0.00 0.07 0.00 0.00 57.00 57.47 1kkc n GLN 183 Cb 0.47 -1.50 -0.10 0.00 2.41 0.00 0.00 30.24 31.52 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 -3.55 0.00 -3.53 3.69 4.01 0.96 -5.06 117.16 113.67 1kkc n TYR 184 Ca -0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1kkc n TYR 184 Cb 0.95 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 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 -1.43 0.00 0.00 7.72 4.77 0.12 -1.34 117.00 126.83 1kkc n LEU 185 Ca 0.04 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1kkc n LEU 185 Cb 0.34 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.01 1kkc n LEU 185 CO 0.42 0.00 0.89 -0.46 -1.33 0.00 0.00 177.39 176.91 1kkc n ASN 186 N 2.09 0.00 -3.53 -1.43 6.94 -1.26 -4.28 115.26 113.80 1kkc n ASN 186 Ca 0.00 0.05 -0.40 0.00 -0.02 0.00 0.00 54.58 54.21 1kkc n ASN 186 Cb 0.00 -0.33 -0.02 0.00 -2.36 0.00 0.00 39.78 37.08 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 -1.33 6.10 0.30 0.53 -0.08 -0.45 -4.68 116.55 116.94 1kkc n ASP 187 Ca 0.10 -2.70 0.17 0.00 -1.51 0.00 0.00 54.79 50.85 1kkc n ASP 187 Cb 0.21 -1.59 0.97 0.00 2.34 0.00 0.00 41.12 43.05 1kkc n ASP 187 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1kkc h LYS 188 N 5.59 0.00 -0.58 -0.67 2.10 -1.83 -2.01 116.57 119.16 1kkc h LYS 188 Ca 0.71 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.26 1kkc h LYS 188 Cb 0.47 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 1kkc h LYS 188 CO 1.84 0.00 -0.03 0.00 -2.00 0.00 0.00 179.45 179.26 1kkc h ALA 189 N 1.98 0.84 0.00 0.07 0.00 -1.97 -0.40 119.26 119.78 1kkc h ALA 189 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1kkc h ALA 189 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1kkc h ALA 189 CO -0.00 0.67 -0.57 0.77 0.00 0.00 0.00 179.25 180.12 1kkc h SER 190 N 0.95 0.00 -0.05 0.00 0.02 -1.77 -1.44 113.55 111.26 1kkc h SER 190 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1kkc h SER 190 Cb 0.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1kkc h SER 190 CO 0.03 0.57 0.00 0.22 -1.14 0.00 0.00 176.83 176.52 1kkc h TYR 191 N 0.00 0.09 -0.25 3.45 3.20 -1.29 -0.92 116.97 121.25 1kkc h TYR 191 Ca -0.01 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1kkc h TYR 191 Cb 1.02 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1kkc h TYR 191 CO 0.00 0.34 0.06 0.00 -1.64 0.00 0.00 178.16 176.93 1kkc h ALA 192 N 0.74 0.27 0.00 1.82 0.00 -0.91 -1.31 119.26 119.85 1kkc h ALA 192 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1kkc h ALA 192 Cb 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1kkc h ALA 192 CO 0.00 -0.36 -0.15 0.87 0.00 0.00 0.00 179.25 179.62 1kkc h LYS 193 N 0.16 0.00 0.00 0.00 1.57 -1.19 -2.96 116.57 114.15 1kkc h LYS 193 Ca 0.11 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 1kkc h LYS 193 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1kkc h LYS 193 CO -0.14 0.15 -1.13 0.78 -0.57 0.00 0.00 179.45 178.54 1kkc h GLY 194 N 0.64 0.00 2.00 3.86 0.00 -0.53 -3.35 103.07 105.69 1kkc h GLY 194 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kkc h GLY 194 CO 0.02 0.00 0.00 1.19 0.00 0.00 0.00 176.54 177.75 1kkc h ILE 195 N 0.00 0.00 0.00 2.60 2.10 -1.08 -2.47 117.51 118.65 1kkc h ILE 195 Ca -0.11 -0.34 -0.01 0.00 1.08 0.00 0.00 64.86 65.47 1kkc h ILE 195 Cb 1.57 1.21 -0.00 0.00 -1.09 0.00 0.00 36.82 38.51 1kkc h ILE 195 CO 0.06 0.00 -0.06 -0.50 -1.08 0.00 0.00 178.15 176.57 1kkc h TRP 196 N 0.00 0.00 0.00 2.19 4.06 -1.70 -1.47 115.95 119.03 1kkc h TRP 196 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1kkc h TRP 196 Cb 0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1kkc h TRP 196 CO 0.00 0.06 -0.15 -0.91 -3.56 0.00 0.00 178.44 173.88 1kkc h ASN 197 N 0.00 0.00 -0.13 -3.49 2.35 -1.70 -3.16 115.58 109.45 1kkc h ASN 197 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kkc h ASN 197 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1kkc h ASN 197 CO 0.01 0.15 0.00 1.33 -1.65 0.00 0.00 177.43 177.27 1kkc n VAL 198 N -3.41 1.82 -2.38 2.81 0.24 -0.57 -2.59 118.33 114.25 1kkc n VAL 198 Ca -0.01 -1.83 -0.42 0.00 -2.04 0.00 0.00 64.34 60.04 1kkc n VAL 198 Cb 0.34 -0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 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 -2.42 3.88 -1.00 1.34 -1.09 -1.08 0.33 121.20 121.15 1kkc s ILE 199 Ca 0.30 1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 59.89 1kkc s ILE 199 Cb 0.25 -3.87 0.11 0.00 -1.58 0.00 0.00 42.46 37.36 1kkc s ILE 199 CO 0.06 0.12 1.29 0.21 -1.23 0.00 0.00 174.94 175.38 1kkc s ASN 200 N 0.99 6.64 0.45 3.58 3.84 0.39 -0.34 114.94 130.49 1kkc s ASN 200 Ca 0.59 -1.98 0.22 0.00 0.21 0.00 0.00 52.86 51.91 1kkc s ASN 200 Cb -0.31 -2.46 1.04 0.00 -0.55 0.00 0.00 41.25 38.97 1kkc s ASN 200 CO 0.30 -1.17 1.90 -0.50 -2.79 0.00 0.00 177.10 174.83 1kkc h TRP 201 N 8.90 0.00 -0.67 0.43 4.06 -1.84 -2.52 115.95 124.31 1kkc h TRP 201 Ca 0.20 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.16 1kkc h TRP 201 Cb 1.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.12 1kkc h TRP 201 CO 1.21 0.24 0.44 0.00 -3.56 0.00 0.00 178.44 176.77 1kkc h ALA 202 N 1.76 0.85 -0.51 1.49 0.00 -1.84 0.14 119.26 121.15 1kkc h ALA 202 Ca -0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1kkc h ALA 202 Cb 0.61 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1kkc h ALA 202 CO 0.03 0.28 -0.11 1.49 0.00 0.00 0.00 179.25 180.95 1kkc h GLU 203 N 0.91 0.97 -0.63 0.00 4.57 -1.79 -2.64 114.58 115.97 1kkc h GLU 203 Ca 0.24 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1kkc h GLU 203 Cb -0.10 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 1kkc h GLU 203 CO -0.05 1.03 0.41 0.00 -1.18 0.00 0.00 179.01 179.22 1kkc h ALA 204 N 0.90 0.80 -0.42 2.92 0.00 -1.00 -1.56 119.26 120.90 1kkc h ALA 204 Ca 0.13 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1kkc h ALA 204 Cb 0.67 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1kkc h ALA 204 CO 0.05 0.24 0.07 1.49 0.00 0.00 0.00 179.25 181.10 1kkc h GLU 205 N 0.86 0.19 -0.37 0.00 4.57 -0.57 -0.34 114.58 118.91 1kkc h GLU 205 Ca 0.23 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1kkc h GLU 205 Cb -0.08 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1kkc h GLU 205 CO -0.05 0.12 0.20 -0.91 -1.18 0.00 0.00 179.01 177.19 1kkc h ASN 206 N 0.19 0.48 -0.66 1.04 -0.26 -1.08 -1.60 115.58 113.70 1kkc h ASN 206 Ca 0.21 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.79 1kkc h ASN 206 Cb 0.27 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1kkc h ASN 206 CO -0.29 0.44 0.20 0.03 -1.06 0.00 0.00 177.43 176.76 1kkc h ARG 207 N 0.47 1.05 -0.28 0.81 3.08 -0.78 -0.48 114.38 118.25 1kkc h ARG 207 Ca 0.13 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1kkc h ARG 207 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1kkc h ARG 207 CO -0.02 0.91 0.05 -0.92 -1.07 0.00 0.00 179.97 178.91 1kkc h TYR 208 N 1.01 0.50 -0.62 3.04 3.20 -0.92 0.60 116.97 123.79 1kkc h TYR 208 Ca 0.22 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1kkc h TYR 208 Cb 0.30 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1kkc h TYR 208 CO 0.02 0.57 0.20 0.82 -1.64 0.00 0.00 178.16 178.13 1kkc h ILE 209 N 0.29 1.24 -0.24 1.81 2.04 -1.10 -0.21 117.51 121.34 1kkc h ILE 209 Ca 0.09 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1kkc h ILE 209 Cb 0.34 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1kkc h ILE 209 CO 0.01 0.31 -0.09 0.00 0.00 0.00 0.00 178.15 178.38 1kkc h ALA 210 N 1.07 0.33 -6.24 1.87 0.00 -0.95 -3.29 119.26 112.05 1kkc h ALA 210 Ca 0.20 -0.29 -0.45 0.00 0.00 0.00 0.00 54.91 54.37 1kkc h ALA 210 Cb 0.28 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1kkc h ALA 210 CO -0.01 0.16 -0.83 0.41 0.00 0.00 0.00 179.25 178.98 1kkc n GLY 211 N -0.07 -0.32 3.50 0.00 0.00 0.21 -3.94 105.19 104.57 1kkc n GLY 211 Ca -0.04 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1kkc n GLY 211 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kkc s ASP 212 N -4.14 6.30 0.15 1.61 1.01 -1.26 -3.70 116.67 116.64 1kkc s ASP 212 Ca 0.15 -0.49 -0.34 0.00 0.71 0.00 0.00 52.55 52.58 1kkc s ASP 212 Cb -0.07 -2.32 -0.14 0.00 1.01 0.00 0.00 42.92 41.40 1kkc s ASP 212 CO 0.84 -0.83 1.60 0.29 0.21 0.00 0.00 175.17 177.28 1kkc n LYS 213 N 6.30 2.20 0.00 8.23 5.02 -1.26 -4.51 118.16 134.14 1kkc n LYS 213 Ca -0.03 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1kkc n LYS 213 Cb 0.47 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 1kkc n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29