#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 4.40 0.28 3.69 2.00 -1.26 -4.99 119.66 123.78 1kkc s GLN 15 Ca 0.00 1.97 -0.29 0.00 -2.00 0.00 0.00 55.36 55.03 1kkc s GLN 15 Cb 0.00 -3.25 -0.10 0.00 0.80 0.00 0.00 33.01 30.46 1kkc s GLN 15 CO 0.00 -0.28 1.15 0.71 -0.50 0.00 0.00 175.29 176.37 1kkc s TYR 16 N 0.58 3.46 0.19 1.67 2.02 -1.26 -5.04 117.35 118.97 1kkc s TYR 16 Ca 0.59 1.62 0.06 0.00 -0.37 0.00 0.00 57.07 58.96 1kkc s TYR 16 Cb -0.34 -3.37 -0.05 0.00 -0.40 0.00 0.00 41.96 37.79 1kkc s TYR 16 CO 0.34 -0.86 -0.10 0.95 -1.57 0.00 0.00 175.55 174.31 1kkc s THR 17 N -1.07 1.38 -0.08 -0.71 -4.23 -1.26 -4.89 115.64 104.78 1kkc s THR 17 Ca 0.46 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.56 1kkc s THR 17 Cb -0.34 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1kkc s THR 17 CO 0.43 -0.60 1.51 -0.22 -0.54 0.00 0.00 174.62 175.20 1kkc s LEU 18 N -3.26 4.28 0.18 4.79 2.96 -1.26 -4.98 118.68 121.39 1kkc s LEU 18 Ca 0.21 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.89 1kkc s LEU 18 Cb 0.02 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.09 1kkc s LEU 18 CO 0.05 -0.85 1.15 -2.16 -1.32 0.00 0.00 176.35 173.21 1kkc s PRO 19 N 3.65 4.54 0.65 0.98 0.04 -1.26 -5.00 135.00 138.60 1kkc s PRO 19 Ca 0.67 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 1kkc s PRO 19 Cb -0.30 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 1kkc s PRO 19 CO 0.25 -0.01 1.17 -2.14 0.04 0.00 0.00 177.00 176.31 1kkc s PRO 20 N -0.30 2.69 0.34 0.56 0.02 -1.26 -4.99 135.00 132.07 1kkc s PRO 20 Ca 0.51 1.67 -0.26 0.00 0.02 0.00 0.00 61.00 62.94 1kkc s PRO 20 Cb -0.31 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 1kkc s PRO 20 CO 0.36 -1.39 1.03 -0.51 -0.33 0.00 0.00 177.00 176.15 1kkc s LEU 21 N -4.61 4.31 0.00 -5.54 1.43 -1.26 -4.92 118.68 108.09 1kkc s LEU 21 Ca 0.73 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 1kkc s LEU 21 Cb -0.27 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 41.97 1kkc s LEU 21 CO 0.39 -0.27 0.84 -0.81 0.23 0.00 0.00 176.35 176.73 1kkc n PRO 22 N 0.47 0.90 -3.62 1.29 -0.04 -1.26 -4.82 135.00 127.92 1kkc n PRO 22 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1kkc n PRO 22 Cb 0.48 -1.06 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.86 -0.34 0.80 0.54 -0.85 -1.26 -5.08 117.35 109.30 1kkc s TYR 23 Ca 0.00 0.05 -0.14 0.00 -0.52 0.00 0.00 57.07 56.46 1kkc s TYR 23 Cb 0.00 0.61 0.08 0.00 0.38 0.00 0.00 41.96 43.03 1kkc s TYR 23 CO 0.00 -0.92 1.18 -2.30 -1.52 0.00 0.00 175.55 171.99 1kkc n PRO 24 N -0.40 0.22 0.28 -3.49 -0.02 -1.26 -4.91 135.00 125.42 1kkc n PRO 24 Ca -0.10 0.15 0.14 0.00 -2.02 0.00 0.00 63.50 61.67 1kkc n PRO 24 Cb 0.62 -2.42 0.82 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.83 0.00 -0.24 6.00 0.05 -1.98 -2.30 116.97 117.67 1kkc h TYR 25 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1kkc h TYR 25 Cb 1.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.04 1kkc h TYR 25 CO 0.46 0.06 0.00 -0.40 -1.05 0.00 0.00 178.16 177.23 1kkc n ASP 26 N -3.75 2.81 0.00 3.88 5.75 -1.26 -4.04 116.55 119.94 1kkc n ASP 26 Ca -0.02 -1.82 0.04 0.00 -0.01 0.00 0.00 54.79 52.98 1kkc n ASP 26 Cb 0.16 -0.15 0.19 0.00 -1.03 0.00 0.00 41.12 40.30 1kkc n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kkc n ALA 27 N 0.96 1.41 0.79 2.12 0.00 -0.87 -2.25 120.51 122.68 1kkc n ALA 27 Ca 0.13 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1kkc n ALA 27 Cb 0.46 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.83 1kkc n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kkc n LEU 28 N -1.50 2.53 -4.73 0.00 4.77 -1.26 -4.38 117.00 112.42 1kkc n LEU 28 Ca 0.02 -0.98 -0.32 0.00 -0.03 0.00 0.00 56.01 54.70 1kkc n LEU 28 Cb 0.11 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.30 1kkc n LEU 28 CO 0.08 0.44 0.73 -1.10 -1.33 0.00 0.00 177.39 176.21 1kkc s GLN 29 N -1.62 2.03 -0.11 3.23 -0.21 -0.96 -2.32 119.66 119.71 1kkc s GLN 29 Ca 0.22 1.44 0.10 0.00 0.02 0.00 0.00 55.36 57.14 1kkc s GLN 29 Cb 0.16 -1.85 0.49 0.00 1.00 0.00 0.00 33.01 32.80 1kkc s GLN 29 CO 0.25 -1.85 1.30 -0.35 -2.12 0.00 0.00 175.29 172.52 1kkc n PRO 30 N -3.29 3.09 0.10 2.91 -0.04 -1.26 -4.82 135.00 131.68 1kkc n PRO 30 Ca 0.11 -1.90 -0.17 0.00 -0.04 0.00 0.00 63.50 61.50 1kkc n PRO 30 Cb 0.52 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.57 0.55 -3.01 0.54 0.05 -1.80 -3.43 116.97 112.45 1kkc h TYR 31 Ca 0.00 -0.40 -0.43 0.00 0.05 0.00 0.00 58.73 57.94 1kkc h TYR 31 Cb 1.21 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 38.53 1kkc h TYR 31 CO 0.59 1.35 -0.73 0.42 -1.05 0.00 0.00 178.16 178.74 1kkc s ILE 32 N -2.64 -0.12 0.82 -2.88 1.01 -1.02 -4.82 121.20 111.56 1kkc s ILE 32 Ca -0.06 -0.10 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1kkc s ILE 32 Cb 0.07 -0.55 0.05 0.00 0.01 0.00 0.00 42.46 42.04 1kkc s ILE 32 CO 0.88 -0.23 0.86 -1.54 0.00 0.00 0.00 174.94 174.92 1kkc n SER 33 N 5.29 -0.23 -0.31 3.58 3.41 -1.26 -3.18 113.62 120.91 1kkc n SER 33 Ca -0.06 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 59.03 1kkc n SER 33 Cb 0.49 -1.37 0.08 0.00 -0.26 0.00 0.00 64.21 63.15 1kkc n SER 33 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1kkc h GLN 34 N -0.95 1.17 -0.16 4.33 4.15 -1.89 -2.41 115.11 119.34 1kkc h GLN 34 Ca -0.45 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 58.87 1kkc h GLN 34 Cb 1.31 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 1kkc h GLN 34 CO 0.42 0.84 -0.02 0.37 -1.93 0.00 0.00 178.83 178.52 1kkc h GLN 35 N 1.18 0.03 0.15 1.69 4.15 -1.91 -1.02 115.11 119.37 1kkc h GLN 35 Ca 0.30 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.72 1kkc h GLN 35 Cb -0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1kkc h GLN 35 CO -0.05 0.02 -0.09 0.82 -1.93 0.00 0.00 178.83 177.59 1kkc h ILE 36 N 0.03 0.80 -0.76 2.39 2.04 -1.88 -1.93 117.51 118.20 1kkc h ILE 36 Ca 0.08 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.04 1kkc h ILE 36 Cb 0.10 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 1kkc h ILE 36 CO -0.14 0.00 0.39 0.24 0.00 0.00 0.00 178.15 178.64 1kkc h MET 37 N -0.24 0.63 0.23 2.37 2.86 -1.22 0.41 114.93 119.97 1kkc h MET 37 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1kkc h MET 37 Cb 0.20 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1kkc h MET 37 CO 0.01 0.42 -0.11 0.93 1.06 0.00 0.00 176.91 179.22 1kkc h GLU 38 N 0.65 -0.30 -0.38 1.72 5.08 -0.98 -0.79 114.58 119.57 1kkc h GLU 38 Ca 0.38 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1kkc h GLU 38 Cb 0.41 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1kkc h GLU 38 CO -0.28 -0.11 0.10 -0.07 -1.00 0.00 0.00 179.01 177.65 1kkc h LEU 39 N -0.44 0.58 -1.26 1.33 3.38 -0.96 0.26 115.31 118.20 1kkc h LEU 39 Ca -0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1kkc h LEU 39 Cb 0.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1kkc h LEU 39 CO 0.05 0.65 0.41 -0.74 0.09 0.00 0.00 178.44 178.90 1kkc h HIS 40 N 0.47 0.88 0.00 1.13 2.76 -0.17 -0.58 115.15 119.64 1kkc h HIS 40 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1kkc h HIS 40 Cb 0.30 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1kkc h HIS 40 CO 0.02 0.58 -0.16 1.25 -1.30 0.00 0.00 177.93 178.32 1kkc h HIS 41 N 0.93 0.00 0.00 5.26 -0.00 -0.97 -1.27 115.15 119.09 1kkc h HIS 41 Ca 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.59 1kkc h HIS 41 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1kkc h HIS 41 CO 0.00 0.00 -0.09 0.87 -0.00 0.00 0.00 177.93 178.71 1kkc h LYS 42 N -0.49 0.00 0.00 5.26 1.57 -0.60 -2.92 116.57 119.40 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1kkc h LYS 42 CO 0.00 0.09 -0.16 1.63 -0.57 0.00 0.00 179.45 180.45 1kkc n LYS 43 N -4.21 0.08 0.34 3.15 4.01 -0.32 -4.37 118.16 116.86 1kkc n LYS 43 Ca -0.03 0.03 -0.18 0.00 -0.51 0.00 0.00 58.31 57.63 1kkc n LYS 43 Cb 0.17 -0.54 -0.09 0.00 -0.51 0.00 0.00 35.03 34.06 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 -0.16 -1.10 -0.83 2.13 3.86 -1.36 0.31 115.15 118.00 1kkc h HIS 44 Ca 0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1kkc h HIS 44 Cb 0.16 0.40 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 1kkc h HIS 44 CO -0.07 -0.61 0.55 1.25 0.86 0.00 0.00 177.93 179.91 1kkc h HIS 45 N -0.98 1.04 -0.73 2.45 -0.00 -1.26 -1.46 115.15 114.21 1kkc h HIS 45 Ca -0.07 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.35 1kkc h HIS 45 Cb 0.80 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.82 1kkc h HIS 45 CO -0.13 0.65 0.48 0.37 -0.00 0.00 0.00 177.93 179.30 1kkc h GLN 46 N 1.12 0.86 -0.70 5.26 5.75 -1.33 -1.25 115.11 124.82 1kkc h GLN 46 Ca 0.30 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.68 1kkc h GLN 46 Cb -0.13 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.20 1kkc h GLN 46 CO -0.07 0.57 0.14 1.15 -2.65 0.00 0.00 178.83 177.97 1kkc h THR 47 N 0.89 1.26 -0.49 2.39 2.02 0.13 -0.14 112.91 118.97 1kkc h THR 47 Ca 0.29 -1.01 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 1kkc h THR 47 Cb 0.05 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1kkc h THR 47 CO -0.08 0.39 0.01 1.88 0.37 0.00 0.00 175.52 178.08 1kkc h TYR 48 N 1.07 0.94 -0.28 3.16 0.05 -0.92 0.13 116.97 121.11 1kkc h TYR 48 Ca 0.21 -0.16 0.03 0.00 0.05 0.00 0.00 58.73 58.86 1kkc h TYR 48 Cb 0.41 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1kkc h TYR 48 CO 0.03 0.88 0.12 0.28 -1.05 0.00 0.00 178.16 178.42 1kkc h VAL 49 N 0.73 0.95 -0.48 -2.88 2.07 -0.91 0.53 116.25 116.26 1kkc h VAL 49 Ca 0.14 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1kkc h VAL 49 Cb 0.50 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1kkc h VAL 49 CO 0.02 0.05 0.24 0.78 0.02 0.00 0.00 177.57 178.68 1kkc h ASN 50 N 0.26 0.62 -0.08 0.57 -0.26 -0.80 -2.13 115.58 113.76 1kkc h ASN 50 Ca 0.12 -0.12 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1kkc h ASN 50 Cb 0.07 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1kkc h ASN 50 CO -0.11 0.56 -0.18 1.23 -1.06 0.00 0.00 177.43 177.87 1kkc h GLY 51 N 0.63 0.49 0.83 2.83 0.00 -0.24 -1.80 103.07 105.81 1kkc h GLY 51 Ca 0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1kkc h GLY 51 CO -0.02 0.33 0.03 -2.00 0.00 0.00 0.00 176.54 174.88 1kkc h LEU 52 N 0.41 0.25 -0.60 3.11 5.85 0.38 0.34 115.31 125.05 1kkc h LEU 52 Ca 0.07 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1kkc h LEU 52 Cb 0.56 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1kkc h LEU 52 CO 0.04 0.43 0.26 0.78 -0.34 0.00 0.00 178.44 179.61 1kkc h ASN 53 N 0.06 0.82 -0.68 1.25 2.35 -1.25 -1.92 115.58 116.21 1kkc h ASN 53 Ca 0.05 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1kkc h ASN 53 Cb 0.28 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1kkc h ASN 53 CO 0.00 0.75 0.28 0.00 -1.65 0.00 0.00 177.43 176.82 1kkc h ALA 54 N 1.10 0.89 -0.05 -0.83 0.00 -1.21 -2.29 119.26 116.87 1kkc h ALA 54 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kkc h ALA 54 Cb 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1kkc h ALA 54 CO -0.02 0.50 0.02 0.00 0.00 0.00 0.00 179.25 179.75 1kkc h ALA 55 N 1.13 0.06 -0.02 0.00 0.00 -0.64 -1.89 119.26 117.89 1kkc h ALA 55 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1kkc h ALA 55 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1kkc h ALA 55 CO -0.02 -0.36 -0.14 -0.07 0.00 0.00 0.00 179.25 178.66 1kkc h LEU 56 N -0.09 0.02 -0.19 0.00 3.38 -1.33 -0.02 115.31 117.10 1kkc h LEU 56 Ca 0.02 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1kkc h LEU 56 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kkc h LEU 56 CO -0.00 0.17 -0.44 -0.08 0.09 0.00 0.00 178.44 178.17 1kkc h GLU 57 N 0.03 0.63 -0.44 1.13 4.57 -1.21 -1.86 114.58 117.43 1kkc h GLU 57 Ca 0.00 -0.43 -0.09 0.00 -1.18 0.00 0.00 59.36 57.67 1kkc h GLU 57 Cb 0.27 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1kkc h GLU 57 CO 0.02 1.05 -0.09 0.00 -1.18 0.00 0.00 179.01 178.81 1kkc h ALA 58 N 0.58 1.02 -0.20 2.92 0.00 -0.85 -2.03 119.26 120.69 1kkc h ALA 58 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1kkc h ALA 58 Cb 1.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1kkc h ALA 58 CO 0.10 0.59 -0.26 0.37 0.00 0.00 0.00 179.25 180.05 1kkc h GLN 59 N 0.71 0.38 -0.08 0.00 -0.00 -0.96 -0.99 115.11 114.17 1kkc h GLN 59 Ca 0.12 -0.14 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1kkc h GLN 59 Cb 0.56 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.02 1kkc h GLN 59 CO 0.03 0.62 -0.09 -0.22 0.00 0.00 0.00 178.83 179.17 1kkc h LYS 60 N 0.34 0.20 -0.47 1.69 3.64 -0.99 -1.07 116.57 119.90 1kkc h LYS 60 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1kkc h LYS 60 Cb 0.65 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1kkc h LYS 60 CO 0.05 0.65 0.28 0.87 -2.27 0.00 0.00 179.45 179.03 1kkc h LYS 61 N -0.25 0.64 -0.68 1.90 1.57 -1.27 0.41 116.57 118.90 1kkc h LYS 61 Ca 0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1kkc h LYS 61 Cb 0.63 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1kkc h LYS 61 CO 0.02 0.47 0.30 0.00 -0.57 0.00 0.00 179.45 179.67 1kkc h ALA 62 N 1.13 1.25 -0.21 3.86 0.00 -1.20 -0.41 119.26 123.68 1kkc h ALA 62 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1kkc h ALA 62 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1kkc h ALA 62 CO -0.03 0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.80 1kkc h ALA 63 N 1.36 0.28 -0.52 0.00 0.00 -0.65 0.19 119.26 119.92 1kkc h ALA 63 Ca 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kkc h ALA 63 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1kkc h ALA 63 CO -0.03 -0.02 0.31 0.93 0.00 0.00 0.00 179.25 180.44 1kkc h GLU 64 N 0.14 0.70 -0.01 0.00 5.08 -0.53 0.03 114.58 119.99 1kkc h GLU 64 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1kkc h GLU 64 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1kkc h GLU 64 CO 0.01 0.49 -0.01 0.00 -1.00 0.00 0.00 179.01 178.50 1kkc n ALA 65 N -2.46 2.65 -3.73 3.43 0.00 -0.20 -4.90 120.51 115.30 1kkc n ALA 65 Ca 0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.94 1kkc n ALA 65 Cb 0.07 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.55 -3.49 -3.39 0.00 -1.04 -0.00 -4.92 114.28 100.89 1kkc n THR 66 Ca 0.21 -0.23 -0.45 0.00 -2.04 0.00 0.00 64.05 61.54 1kkc n THR 66 Cb 0.22 -3.61 -0.03 0.00 -1.82 0.00 0.00 70.33 65.09 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 -3.80 6.66 0.17 8.00 -1.08 0.55 -4.94 116.67 122.24 1kkc s ASP 67 Ca 0.35 -2.94 -0.15 0.00 -0.52 0.00 0.00 52.55 49.29 1kkc s ASP 67 Cb -0.17 -2.15 0.13 0.00 -1.46 0.00 0.00 42.92 39.27 1kkc s ASP 67 CO 0.80 -0.47 1.70 0.58 0.52 0.00 0.00 175.17 178.29 1kkc h VAL 68 N 4.59 0.69 -0.42 1.11 2.07 -1.91 -1.41 116.25 120.96 1kkc h VAL 68 Ca 0.11 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1kkc h VAL 68 Cb 0.99 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1kkc h VAL 68 CO 0.80 0.02 -0.04 -0.65 0.02 0.00 0.00 177.57 177.73 1kkc h PRO 69 N 0.12 0.07 -0.69 1.57 0.11 -1.97 -0.32 132.00 130.88 1kkc h PRO 69 Ca 0.21 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1kkc h PRO 69 Cb 0.30 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 1kkc h PRO 69 CO -0.34 0.04 0.14 -0.22 -0.21 0.00 0.00 178.00 177.41 1kkc h LYS 70 N 0.07 1.12 -0.62 1.05 1.63 -1.86 -1.66 116.57 116.29 1kkc h LYS 70 Ca 0.21 -0.28 0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1kkc h LYS 70 Cb 0.30 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1kkc h LYS 70 CO -0.38 1.00 0.40 -0.07 -3.45 0.00 0.00 179.45 176.95 1kkc h LEU 71 N 1.05 0.67 0.03 5.20 3.38 -0.45 -1.80 115.31 123.39 1kkc h LEU 71 Ca 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1kkc h LEU 71 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1kkc h LEU 71 CO 0.01 0.48 -0.01 0.58 0.09 0.00 0.00 178.44 179.58 1kkc h VAL 72 N 0.80 1.23 -0.94 1.22 2.07 -0.88 -3.18 116.25 116.58 1kkc h VAL 72 Ca 0.24 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1kkc h VAL 72 Cb -0.04 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 1kkc h VAL 72 CO -0.07 0.21 0.60 0.77 0.02 0.00 0.00 177.57 179.09 1kkc h SER 73 N -0.39 0.94 0.78 0.57 4.64 -1.17 -1.83 113.55 117.10 1kkc h SER 73 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1kkc h SER 73 Cb 0.36 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1kkc h SER 73 CO 0.01 0.60 0.00 1.62 -0.87 0.00 0.00 176.83 178.18 1kkc h VAL 74 N 1.08 0.00 -0.52 0.95 3.04 -1.37 -3.05 116.25 116.38 1kkc h VAL 74 Ca 0.41 -0.38 0.08 0.00 -1.01 0.00 0.00 66.70 65.80 1kkc h VAL 74 Cb 0.18 1.35 -0.03 0.00 -2.01 0.00 0.00 31.29 30.78 1kkc h VAL 74 CO -0.18 0.00 0.35 1.56 -1.01 0.00 0.00 177.57 178.29 1kkc h GLN 75 N 0.00 0.37 -0.78 4.17 1.08 -1.30 -1.15 115.11 117.50 1kkc h GLN 75 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1kkc h GLN 75 Cb 0.39 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1kkc h GLN 75 CO 0.00 0.25 0.30 0.37 -0.95 0.00 0.00 178.83 178.80 1kkc h GLN 76 N 0.38 1.16 -0.35 1.46 5.75 -1.70 0.16 115.11 121.97 1kkc h GLN 76 Ca 0.23 -0.21 -0.16 0.00 -0.15 0.00 0.00 58.65 58.36 1kkc h GLN 76 Cb 0.43 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1kkc h GLN 76 CO -0.06 0.95 -0.41 0.00 -2.65 0.00 0.00 178.83 176.65 1kkc h ALA 77 N 1.19 0.59 -0.16 3.38 0.00 -1.44 0.26 119.26 123.09 1kkc h ALA 77 Ca 0.26 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1kkc h ALA 77 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1kkc h ALA 77 CO -0.02 0.68 0.05 0.82 0.00 0.00 0.00 179.25 180.78 1kkc h ILE 78 N 0.72 1.18 0.26 0.00 2.04 -1.09 0.27 117.51 120.89 1kkc h ILE 78 Ca 0.05 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1kkc h ILE 78 Cb 1.00 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1kkc h ILE 78 CO 0.10 0.17 -0.17 0.50 0.00 0.00 0.00 178.15 178.74 1kkc h LYS 79 N 0.08 -0.41 0.34 2.37 3.64 -0.57 1.27 116.57 123.29 1kkc h LYS 79 Ca 0.05 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1kkc h LYS 79 Cb 0.21 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1kkc h LYS 79 CO -0.00 -0.27 -0.16 0.35 -2.27 0.00 0.00 179.45 177.09 1kkc h PHE 80 N -0.43 -0.42 -0.16 1.91 3.57 -0.41 0.42 116.94 121.42 1kkc h PHE 80 Ca -0.02 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.25 1kkc h PHE 80 Cb 0.36 0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.25 1kkc h PHE 80 CO -0.10 -0.13 -0.76 -0.91 -2.23 0.00 0.00 178.31 174.18 1kkc h ASN 81 N -0.68 0.94 -0.78 0.41 4.21 -0.49 -0.99 115.58 118.19 1kkc h ASN 81 Ca -0.05 -0.63 -0.02 0.00 1.21 0.00 0.00 56.30 56.82 1kkc h ASN 81 Cb 0.48 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.37 1kkc h ASN 81 CO 0.08 1.41 0.41 1.23 -1.29 0.00 0.00 177.43 179.27 1kkc h GLY 82 N 0.53 1.19 1.00 2.83 0.00 0.16 -1.21 103.07 107.56 1kkc h GLY 82 Ca -0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 1kkc h GLY 82 CO 0.16 0.53 0.10 -1.33 0.00 0.00 0.00 176.54 176.01 1kkc h GLY 83 N 1.09 0.94 0.87 4.60 0.00 -0.85 -2.02 103.07 107.70 1kkc h GLY 83 Ca 0.27 -0.61 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1kkc h GLY 83 CO -0.04 0.57 0.49 -1.33 0.00 0.00 0.00 176.54 176.23 1kkc h GLY 84 N 0.76 1.13 0.86 4.60 0.00 -0.68 0.15 103.07 109.90 1kkc h GLY 84 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1kkc h GLY 84 CO 0.01 0.32 0.06 0.84 0.00 0.00 0.00 176.54 177.76 1kkc h HIS 85 N 0.96 0.29 0.14 5.60 6.17 -1.02 -1.64 115.15 125.65 1kkc h HIS 85 Ca 0.31 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.36 1kkc h HIS 85 Cb 0.02 -0.08 -0.00 0.00 2.52 0.00 0.00 27.41 29.86 1kkc h HIS 85 CO -0.03 0.38 -0.09 0.82 0.71 0.00 0.00 177.93 179.72 1kkc h ILE 86 N 0.12 0.81 -0.03 6.26 2.04 -1.00 -0.68 117.51 125.03 1kkc h ILE 86 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1kkc h ILE 86 Cb 0.22 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1kkc h ILE 86 CO -0.00 0.00 0.02 0.78 0.00 0.00 0.00 178.15 178.95 1kkc h ASN 87 N -0.22 0.04 0.20 1.72 2.35 -0.68 -1.97 115.58 117.01 1kkc h ASN 87 Ca -0.01 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 1kkc h ASN 87 Cb 0.19 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1kkc h ASN 87 CO 0.01 0.06 -0.49 0.45 -1.65 0.00 0.00 177.43 175.82 1kkc h HIS 88 N 0.00 0.41 -0.54 1.19 3.86 -1.32 -0.67 115.15 118.08 1kkc h HIS 88 Ca 0.01 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1kkc h HIS 88 Cb 0.03 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1kkc h HIS 88 CO -0.06 0.76 0.30 0.77 0.86 0.00 0.00 177.93 180.56 1kkc h SER 89 N 0.27 0.68 -0.18 2.45 0.02 -0.98 -1.24 113.55 114.56 1kkc h SER 89 Ca 0.01 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1kkc h SER 89 Cb 0.96 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1kkc h SER 89 CO 0.08 0.57 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.99 1kkc h LEU 90 N 0.72 0.68 0.24 5.07 3.38 -1.23 -3.19 115.31 120.99 1kkc h LEU 90 Ca 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1kkc h LEU 90 Cb 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1kkc h LEU 90 CO -0.03 0.93 -0.12 0.15 0.09 0.00 0.00 178.44 179.46 1kkc h PHE 91 N 0.57 -0.30 -0.82 1.13 3.57 -0.53 -1.43 116.94 119.14 1kkc h PHE 91 Ca 0.07 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1kkc h PHE 91 Cb 0.77 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1kkc h PHE 91 CO 0.03 -0.17 0.53 -1.49 -2.23 0.00 0.00 178.31 174.99 1kkc h TRP 92 N -0.34 0.83 0.00 0.41 -0.00 -1.29 -2.10 115.95 113.47 1kkc h TRP 92 Ca -0.03 0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 58.75 1kkc h TRP 92 Cb 0.26 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 1kkc h TRP 92 CO -0.06 0.40 -0.61 0.87 -0.00 0.00 0.00 178.44 179.04 1kkc h LYS 93 N 0.79 0.00 -0.91 0.49 1.57 -1.47 -3.17 116.57 113.87 1kkc h LYS 93 Ca 0.37 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.92 1kkc h LYS 93 Cb 0.40 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.58 1kkc h LYS 93 CO -0.14 0.61 0.29 0.27 -0.57 0.00 0.00 179.45 179.91 1kkc n ASN 94 N -3.52 3.74 -4.21 0.86 0.23 -0.57 -4.77 115.26 107.02 1kkc n ASN 94 Ca -0.00 -2.93 -0.19 0.00 -0.53 0.00 0.00 54.58 50.93 1kkc n ASN 94 Cb 0.67 -0.69 -0.12 0.00 -2.08 0.00 0.00 39.78 37.56 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 -2.09 2.31 -0.21 -4.53 1.43 -1.19 -0.64 118.68 113.76 1kkc s LEU 95 Ca 0.38 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 1kkc s LEU 95 Cb 0.31 -0.60 0.13 0.00 0.03 0.00 0.00 46.19 46.05 1kkc s LEU 95 CO 0.08 -0.07 1.02 0.00 0.23 0.00 0.00 176.35 177.61 1kkc s ALA 96 N -1.48 -1.95 0.64 4.21 0.00 0.13 -4.52 121.76 118.79 1kkc s ALA 96 Ca 0.03 1.71 -0.17 0.00 0.00 0.00 0.00 51.96 53.52 1kkc s ALA 96 Cb -0.09 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1kkc s ALA 96 CO 0.03 -0.27 0.79 -2.30 0.00 0.00 0.00 175.76 174.00 1kkc n PRO 97 N 1.40 0.62 0.20 0.00 -0.02 -1.26 -3.59 135.00 132.35 1kkc n PRO 97 Ca -0.11 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 1kkc n PRO 97 Cb 0.57 -2.01 0.58 0.00 -0.02 0.00 0.00 33.50 32.62 1kkc n PRO 97 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1kkc h GLU 98 N 0.13 0.12 0.00 -0.52 5.08 -1.80 0.28 114.58 117.87 1kkc h GLU 98 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1kkc h GLU 98 Cb 1.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1kkc h GLU 98 CO 0.48 0.09 0.00 0.36 -1.00 0.00 0.00 179.01 178.94 1kkc n LYS 99 N -4.51 0.18 -0.87 2.33 2.85 -1.26 -3.34 118.16 113.54 1kkc n LYS 99 Ca -0.02 0.15 -0.07 0.00 -1.05 0.00 0.00 58.31 57.32 1kkc n LYS 99 Cb 0.09 -1.71 0.22 0.00 -0.65 0.00 0.00 35.03 32.98 1kkc n LYS 99 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1kkc n SER 100 N -2.02 3.21 0.00 -5.58 7.64 -0.12 -4.89 113.62 111.86 1kkc n SER 100 Ca 0.06 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1kkc n SER 100 Cb 0.40 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.94 0.60 3.71 0.23 0.00 -1.17 -4.74 105.19 102.88 1kkc n GLY 101 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.30 1.40 0.00 -0.02 0.00 0.81 -1.92 107.32 106.29 1kkc s GLY 102 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.15 1kkc s GLY 102 CO 0.00 2.86 0.00 0.61 0.00 0.00 0.00 173.10 176.57 1kkc n GLY 103 N 3.97 0.52 3.41 0.20 0.00 0.76 -4.40 105.19 109.64 1kkc n GLY 103 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1kkc n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkc s LYS 104 N -0.38 4.03 0.55 1.61 -0.14 -0.81 -4.87 119.74 119.74 1kkc s LYS 104 Ca 0.00 -2.70 0.23 0.00 -1.36 0.00 0.00 55.97 52.15 1kkc s LYS 104 Cb 0.00 -4.81 1.49 0.00 -1.68 0.00 0.00 37.83 32.83 1kkc s LYS 104 CO 0.00 -1.54 2.13 0.97 -0.76 0.00 0.00 175.35 176.15 1kkc h ILE 105 N 4.46 0.73 0.00 2.17 6.09 -1.92 -1.49 117.51 127.56 1kkc h ILE 105 Ca 0.23 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 1kkc h ILE 105 Cb 0.91 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.11 1kkc h ILE 105 CO 1.10 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.65 1kkc n ASP 106 N -4.20 0.22 -0.25 2.19 8.00 -1.26 -1.06 116.55 120.19 1kkc n ASP 106 Ca 0.00 0.57 0.07 0.00 0.71 0.00 0.00 54.79 56.15 1kkc n ASP 106 Cb 0.24 -0.61 0.34 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.76 1.32 -3.14 -1.24 6.02 -0.56 -3.80 117.38 114.22 1kkc n GLN 107 Ca 0.02 -0.49 -0.22 0.00 -0.01 0.00 0.00 57.00 56.29 1kkc n GLN 107 Cb 0.12 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 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 -0.23 3.04 -0.07 -1.58 0.00 -0.22 -4.32 120.51 117.13 1kkc n ALA 108 Ca 0.12 -3.91 -0.08 0.00 0.00 0.00 0.00 53.44 49.57 1kkc n ALA 108 Cb 0.16 -0.85 -0.01 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 3.24 -0.22 -0.19 0.00 0.11 -1.75 0.22 132.00 133.42 1kkc h PRO 109 Ca 0.11 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1kkc h PRO 109 Cb 0.79 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1kkc h PRO 109 CO 0.62 -0.14 0.08 0.28 -0.21 0.00 0.00 178.00 178.63 1kkc h VAL 110 N -0.23 1.15 -0.05 3.15 2.07 -1.94 -1.84 116.25 118.57 1kkc h VAL 110 Ca 0.15 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1kkc h VAL 110 Cb 0.46 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1kkc h VAL 110 CO -0.42 0.15 0.02 0.25 0.02 0.00 0.00 177.57 177.59 1kkc h LEU 111 N 0.16 0.07 -0.65 2.57 5.85 -1.84 -2.21 115.31 119.26 1kkc h LEU 111 Ca 0.06 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1kkc h LEU 111 Cb 0.16 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1kkc h LEU 111 CO -0.01 0.22 0.33 0.50 -0.34 0.00 0.00 178.44 179.14 1kkc h LYS 112 N -0.09 0.57 -0.21 1.25 3.64 -0.55 0.25 116.57 121.44 1kkc h LYS 112 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1kkc h LYS 112 Cb 0.17 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1kkc h LYS 112 CO -0.00 0.37 0.14 0.00 -2.27 0.00 0.00 179.45 177.69 1kkc h ALA 113 N 1.38 0.26 -0.66 5.00 0.00 -1.21 0.20 119.26 124.24 1kkc h ALA 113 Ca 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1kkc h ALA 113 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1kkc h ALA 113 CO -0.23 -0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.06 1kkc h ALA 114 N 1.07 1.29 -0.56 0.00 0.00 -0.73 -0.87 119.26 119.46 1kkc h ALA 114 Ca 0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1kkc h ALA 114 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1kkc h ALA 114 CO -0.02 0.54 -0.04 0.82 0.00 0.00 0.00 179.25 180.56 1kkc h ILE 115 N 0.94 1.27 -0.32 0.00 2.04 0.07 -1.86 117.51 119.64 1kkc h ILE 115 Ca 0.23 -1.18 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 1kkc h ILE 115 Cb 0.12 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1kkc h ILE 115 CO -0.03 0.42 -0.18 -0.33 0.00 0.00 0.00 178.15 178.03 1kkc h GLU 116 N 0.91 0.60 -0.16 2.37 5.08 0.09 -0.55 114.58 122.90 1kkc h GLU 116 Ca 0.15 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1kkc h GLU 116 Cb 0.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1kkc h GLU 116 CO 0.04 0.75 -0.54 0.37 -1.00 0.00 0.00 179.01 178.63 1kkc h GLN 117 N 0.53 0.47 0.12 2.33 4.15 -1.00 0.79 115.11 122.51 1kkc h GLN 117 Ca 0.09 -0.29 -0.23 0.00 0.77 0.00 0.00 58.65 58.99 1kkc h GLN 117 Cb 0.62 0.03 0.02 0.00 0.21 0.00 0.00 27.48 28.36 1kkc h GLN 117 CO 0.04 0.89 -0.96 -0.09 -1.93 0.00 0.00 178.83 176.78 1kkc h ARG 118 N 0.37 0.44 -0.01 1.69 9.65 -1.14 -3.37 114.38 122.00 1kkc h ARG 118 Ca 0.01 -0.63 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 1kkc h ARG 118 Cb 1.06 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 1kkc h ARG 118 CO 0.10 1.27 -0.02 0.91 2.80 0.00 0.00 179.97 185.03 1kkc n TRP 119 N -4.01 0.00 0.00 2.20 8.01 -0.23 -5.01 117.44 118.39 1kkc n TRP 119 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 1kkc n TRP 119 Cb 0.87 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.17 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 0.61 2.55 3.45 6.99 0.00 0.28 -4.62 105.19 114.44 1kkc n GLY 120 Ca 0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.30 0.16 1.61 1.04 -1.23 -4.66 113.70 110.32 1kkc s SER 121 Ca 0.00 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 1kkc s SER 121 Cb 0.00 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1kkc s SER 121 CO 0.00 -0.99 1.77 0.15 0.98 0.00 0.00 173.24 175.15 1kkc h PHE 122 N 2.21 0.33 -0.94 5.02 3.57 -1.90 -1.98 116.94 123.26 1kkc h PHE 122 Ca -0.31 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.25 1kkc h PHE 122 Cb 1.27 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.86 1kkc h PHE 122 CO 0.33 0.17 0.62 -0.44 -2.23 0.00 0.00 178.31 176.75 1kkc h ASP 123 N 0.37 1.01 -0.24 0.41 3.32 -1.96 -0.57 116.42 118.76 1kkc h ASP 123 Ca 0.17 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1kkc h ASP 123 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1kkc h ASP 123 CO -0.13 0.69 -0.19 0.11 -1.72 0.00 0.00 179.24 178.00 1kkc h LYS 124 N 1.17 0.69 -0.47 3.56 1.57 -1.75 -1.18 116.57 120.15 1kkc h LYS 124 Ca 0.38 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1kkc h LYS 124 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1kkc h LYS 124 CO -0.12 0.83 0.10 0.35 -0.57 0.00 0.00 179.45 180.04 1kkc h PHE 125 N 0.61 0.80 -0.85 -1.35 3.57 -0.55 -1.87 116.94 117.30 1kkc h PHE 125 Ca 0.09 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1kkc h PHE 125 Cb 0.66 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1kkc h PHE 125 CO 0.03 0.73 0.51 0.87 -2.23 0.00 0.00 178.31 178.22 1kkc h LYS 126 N 0.63 1.16 -0.17 1.11 1.57 -0.84 0.11 116.57 120.14 1kkc h LYS 126 Ca 0.14 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1kkc h LYS 126 Cb 0.35 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1kkc h LYS 126 CO 0.00 0.82 0.11 0.22 -0.57 0.00 0.00 179.45 180.03 1kkc h ASP 127 N 1.17 0.21 -0.86 0.86 3.58 -1.00 0.19 116.42 120.57 1kkc h ASP 127 Ca 0.30 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 1kkc h ASP 127 Cb -0.04 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 1kkc h ASP 127 CO -0.06 0.18 0.43 0.00 -2.88 0.00 0.00 179.24 176.92 1kkc h ALA 128 N 1.03 1.10 0.00 -0.78 0.00 -0.85 -0.66 119.26 119.11 1kkc h ALA 128 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1kkc h ALA 128 Cb 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1kkc h ALA 128 CO -0.01 0.65 -0.00 0.35 0.00 0.00 0.00 179.25 180.24 1kkc h PHE 129 N 1.21 -0.00 -0.99 0.00 3.57 -0.38 -1.61 116.94 118.74 1kkc h PHE 129 Ca 0.30 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.86 1kkc h PHE 129 Cb 0.09 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1kkc h PHE 129 CO 0.01 0.29 0.64 -0.91 -2.23 0.00 0.00 178.31 176.11 1kkc h ASN 130 N -0.30 1.02 -0.59 0.41 2.35 -0.46 0.24 115.58 118.24 1kkc h ASN 130 Ca -0.00 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1kkc h ASN 130 Cb 0.30 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1kkc h ASN 130 CO 0.00 0.65 0.27 0.74 -1.65 0.00 0.00 177.43 177.44 1kkc h THR 131 N 1.15 1.21 -0.27 2.81 2.02 -1.00 0.11 112.91 118.94 1kkc h THR 131 Ca 0.43 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1kkc h THR 131 Cb 0.17 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1kkc h THR 131 CO -0.17 0.25 0.03 0.74 0.37 0.00 0.00 175.52 176.73 1kkc h THR 132 N 0.81 1.24 0.01 3.16 2.02 -0.25 -1.81 112.91 118.10 1kkc h THR 132 Ca 0.20 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1kkc h THR 132 Cb 0.14 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1kkc h THR 132 CO -0.02 0.27 -0.13 -0.07 0.37 0.00 0.00 175.52 175.94 1kkc h LEU 133 N 0.27 -0.36 -1.63 2.58 3.38 -0.18 -1.92 115.31 117.44 1kkc h LEU 133 Ca 0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1kkc h LEU 133 Cb 0.37 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1kkc h LEU 133 CO 0.01 -0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.29 1kkc h LEU 134 N -0.22 0.00 0.00 1.67 3.38 -0.74 -2.48 115.31 116.92 1kkc h LEU 134 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1kkc h LEU 134 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1kkc h LEU 134 CO -0.11 0.00 -0.27 0.61 0.09 0.00 0.00 178.44 178.75 1kkc n GLY 135 N -0.50 -1.38 3.72 0.83 0.00 -0.69 -4.88 105.19 102.30 1kkc n GLY 135 Ca -0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.01 2.71 -0.26 -0.61 1.01 -0.94 -4.99 121.20 115.13 1kkc s ILE 136 Ca 0.12 0.53 -0.11 0.00 0.00 0.00 0.00 60.65 61.19 1kkc s ILE 136 Cb 0.18 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 1kkc s ILE 136 CO 0.62 0.05 0.17 -1.10 0.00 0.00 0.00 174.94 174.68 1kkc s GLN 137 N 0.84 4.00 2.74 2.79 -0.21 -1.26 -4.94 119.66 123.62 1kkc s GLN 137 Ca 0.67 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.75 1kkc s GLN 137 Cb -0.42 -3.57 0.00 0.00 1.00 0.00 0.00 33.01 30.01 1kkc s GLN 137 CO 0.33 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 1kkc n GLY 138 N 4.62 -0.46 3.80 3.09 0.00 -1.26 -4.82 105.19 110.16 1kkc n GLY 138 Ca -0.15 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 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 7.02 -0.08 1.61 0.01 -1.26 -4.85 113.70 112.14 1kkc s SER 139 Ca 0.00 1.20 -0.26 0.00 1.31 0.00 0.00 55.95 58.21 1kkc s SER 139 Cb 0.00 -2.35 0.08 0.00 0.21 0.00 0.00 66.02 63.97 1kkc s SER 139 CO 0.00 0.25 1.15 0.61 0.41 0.00 0.00 173.24 175.66 1kkc n GLY 140 N 1.87 0.12 3.23 3.44 0.00 -1.26 -0.12 105.19 112.48 1kkc n GLY 140 Ca -0.10 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 1.46 -0.09 1.61 0.52 -0.13 -1.12 118.94 119.18 1kkc s TRP 141 Ca 0.27 -0.46 -0.01 0.00 0.02 0.00 0.00 56.10 55.92 1kkc s TRP 141 Cb -0.00 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.49 1kkc s TRP 141 CO -0.02 0.13 -0.05 0.20 0.02 0.00 0.00 176.95 177.23 1kkc s GLY 142 N -1.96 1.72 0.05 0.98 0.00 -0.64 -1.48 107.32 105.99 1kkc s GLY 142 Ca 0.03 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1kkc s GLY 142 CO 0.03 -0.51 -0.06 -0.98 0.00 0.00 0.00 173.10 171.59 1kkc s TRP 143 N -0.53 0.59 -0.24 1.90 0.52 0.11 -0.91 118.94 120.38 1kkc s TRP 143 Ca 0.08 -0.64 -0.01 0.00 0.02 0.00 0.00 56.10 55.55 1kkc s TRP 143 Cb -0.12 -0.37 0.03 0.00 -1.15 0.00 0.00 33.47 31.86 1kkc s TRP 143 CO 0.02 -0.15 -0.08 -1.17 0.02 0.00 0.00 176.95 175.59 1kkc s LEU 144 N -1.94 3.12 0.45 2.99 2.96 -0.79 -0.63 118.68 124.84 1kkc s LEU 144 Ca -0.06 -0.89 0.05 0.00 -0.22 0.00 0.00 54.13 53.01 1kkc s LEU 144 Cb -0.06 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 1kkc s LEU 144 CO -0.02 -0.12 0.06 0.68 -1.32 0.00 0.00 176.35 175.63 1kkc s VAL 145 N 1.31 1.77 0.01 1.68 -7.23 0.10 -0.58 120.40 117.46 1kkc s VAL 145 Ca -0.00 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1kkc s VAL 145 Cb -0.17 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1kkc s VAL 145 CO -0.05 0.00 -0.00 0.28 -0.31 0.00 0.00 175.10 175.02 1kkc s THR 146 N -2.75 0.08 -1.76 5.32 -1.32 -0.32 -1.18 115.64 113.72 1kkc s THR 146 Ca 0.27 -0.70 0.30 0.00 -1.21 0.00 0.00 61.69 60.36 1kkc s THR 146 Cb 0.05 -0.23 0.65 0.00 -1.51 0.00 0.00 72.50 71.47 1kkc s THR 146 CO 0.14 -0.38 2.05 -0.90 -2.21 0.00 0.00 174.62 173.33 1kkc n ASP 147 N 1.90 0.20 0.00 8.08 5.68 -1.04 -1.06 116.55 130.32 1kkc n ASP 147 Ca -0.21 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 1kkc n ASP 147 Cb 0.56 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 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 1.17 -0.76 3.69 6.12 0.00 -1.26 -4.89 105.19 109.26 1kkc n GLY 148 Ca 0.18 -1.10 -0.50 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.36 1.97 -3.01 1.61 -0.04 -1.23 -0.09 135.00 133.86 1kkc n PRO 149 Ca 0.00 0.72 -0.20 0.00 -0.04 0.00 0.00 63.50 63.99 1kkc n PRO 149 Cb 0.00 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 6.44 -3.25 -0.01 0.54 5.02 -0.11 -4.92 118.16 121.87 1kkc n LYS 150 Ca 0.24 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1kkc n LYS 150 Cb 0.26 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.11 -0.12 3.75 0.72 0.00 0.88 -5.03 105.19 104.27 1kkc n GLY 151 Ca -0.07 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 0.58 4.69 0.13 1.61 -0.14 -1.26 -4.81 119.74 120.54 1kkc s LYS 152 Ca 0.00 1.65 -0.10 0.00 -1.36 0.00 0.00 55.97 56.15 1kkc s LYS 152 Cb 0.00 -3.27 -0.06 0.00 -1.68 0.00 0.00 37.83 32.82 1kkc s LYS 152 CO 0.00 0.24 0.46 -0.51 -0.76 0.00 0.00 175.35 174.78 1kkc s LEU 153 N -0.80 4.30 -0.05 3.17 1.43 -1.26 -2.48 118.68 122.98 1kkc s LEU 153 Ca 0.46 0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.26 1kkc s LEU 153 Cb -0.28 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.74 1kkc s LEU 153 CO 0.35 0.09 0.34 -1.81 0.23 0.00 0.00 176.35 175.56 1kkc s ASP 154 N -1.95 -0.27 -0.18 2.29 1.01 -0.33 -4.98 116.67 112.26 1kkc s ASP 154 Ca 0.38 0.29 -0.09 0.00 0.71 0.00 0.00 52.55 53.85 1kkc s ASP 154 Cb -0.13 0.44 -0.05 0.00 1.01 0.00 0.00 42.92 44.19 1kkc s ASP 154 CO 0.20 -0.37 0.11 -0.63 0.21 0.00 0.00 175.17 174.69 1kkc s ILE 155 N -0.91 5.26 0.31 0.77 1.01 -1.26 0.00 121.20 126.39 1kkc s ILE 155 Ca -0.10 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1kkc s ILE 155 Cb -0.04 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1kkc s ILE 155 CO 0.04 0.47 0.33 0.42 0.00 0.00 0.00 174.94 176.20 1kkc s THR 156 N 0.14 0.00 0.05 2.92 -4.23 0.19 -4.99 115.64 109.73 1kkc s THR 156 Ca 0.08 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1kkc s THR 156 Cb -0.11 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1kkc s THR 156 CO -0.01 0.00 -0.04 0.42 -0.54 0.00 0.00 174.62 174.46 1kkc s THR 157 N -3.45 0.28 0.07 3.99 -4.23 -1.26 0.09 115.64 111.13 1kkc s THR 157 Ca 0.36 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 1kkc s THR 157 Cb 0.02 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 1kkc s THR 157 CO 0.22 -0.84 -0.16 0.42 -0.54 0.00 0.00 174.62 173.71 1kkc s THR 158 N -3.21 1.31 0.04 3.99 -4.23 -0.55 -4.97 115.64 108.03 1kkc s THR 158 Ca 0.02 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.14 1kkc s THR 158 Cb 0.03 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.60 1kkc s THR 158 CO -0.07 -0.10 0.36 -2.28 -0.54 0.00 0.00 174.62 171.99 1kkc s HIS 159 N -1.11 3.60 0.00 3.99 2.46 -1.26 -0.96 115.29 122.01 1kkc s HIS 159 Ca 0.02 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.30 1kkc s HIS 159 Cb -0.09 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 1kkc s HIS 159 CO 0.03 0.57 0.00 -0.25 -2.47 0.00 0.00 174.74 172.61 1kkc n ASP 160 N 1.12 0.00 -0.50 9.88 8.00 0.83 -1.58 116.55 134.31 1kkc n ASP 160 Ca -0.10 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.47 1kkc n ASP 160 Cb 0.53 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.80 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 7.35 2.50 -1.74 -1.24 1.13 -1.26 -4.23 117.38 119.89 1kkc n GLN 161 Ca 0.00 -2.42 -0.42 0.00 -1.94 0.00 0.00 57.00 52.22 1kkc n GLN 161 Cb 0.00 -1.52 -0.02 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 -0.54 3.77 -4.93 1.08 8.00 -0.62 -3.32 116.55 119.99 1kkc n ASP 162 Ca 0.15 1.14 -0.25 0.00 0.71 0.00 0.00 54.79 56.54 1kkc n ASP 162 Cb 0.64 -1.58 0.03 0.00 -0.02 0.00 0.00 41.12 40.19 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 -0.40 2.89 0.05 -0.24 0.04 -1.26 -4.65 135.00 131.42 1kkc s PRO 163 Ca 0.65 -0.17 -0.31 0.00 0.04 0.00 0.00 61.00 61.21 1kkc s PRO 163 Cb -0.51 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 1kkc s PRO 163 CO 0.48 -0.63 1.28 0.08 0.04 0.00 0.00 177.00 178.24 1kkc s VAL 164 N -2.89 3.84 0.05 -0.36 1.01 -1.26 -5.02 120.40 115.77 1kkc s VAL 164 Ca 0.53 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1kkc s VAL 164 Cb -0.10 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1kkc s VAL 164 CO 0.43 0.07 -0.12 0.42 0.00 0.00 0.00 175.10 175.90 1kkc s THR 165 N 1.44 0.92 -0.57 3.92 -4.23 -1.26 -4.75 115.64 111.11 1kkc s THR 165 Ca 0.61 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1kkc s THR 165 Cb -0.31 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1kkc s THR 165 CO 0.28 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1kkc n GLY 166 N 1.58 0.77 3.49 3.99 0.00 -1.26 -4.96 105.19 108.81 1kkc n GLY 166 Ca -0.20 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.06 -1.68 -0.27 4.61 0.00 -1.26 -4.96 121.76 116.13 1kkc s ALA 167 Ca 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1kkc s ALA 167 Cb 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 1kkc s ALA 167 CO 0.00 -0.76 0.19 0.00 0.00 0.00 0.00 175.76 175.19 1kkc s ALA 168 N -3.47 3.55 0.13 0.00 0.00 -0.22 -4.60 121.76 117.15 1kkc s ALA 168 Ca 0.04 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.66 1kkc s ALA 168 Cb -0.01 -2.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.57 1kkc s ALA 168 CO -0.10 -0.47 1.40 -2.14 0.00 0.00 0.00 175.76 174.45 1kkc s PRO 169 N 1.61 4.32 -0.24 0.00 0.02 -1.26 -1.18 135.00 138.26 1kkc s PRO 169 Ca 0.08 2.10 -0.16 0.00 0.02 0.00 0.00 61.00 63.04 1kkc s PRO 169 Cb -0.15 -3.23 -0.12 0.00 0.02 0.00 0.00 34.50 31.02 1kkc s PRO 169 CO 0.09 -0.43 -0.22 0.28 -0.33 0.00 0.00 177.00 176.39 1kkc n VAL 170 N 3.77 1.52 -3.50 3.83 0.31 0.26 -4.77 118.33 119.74 1kkc n VAL 170 Ca 0.11 -0.18 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 1kkc n VAL 170 Cb 0.42 -2.03 -0.05 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 -2.52 -0.63 0.11 3.52 -0.12 -1.18 -4.33 117.98 112.84 1kkc s PHE 171 Ca -0.33 0.97 0.03 0.00 -0.05 0.00 0.00 56.93 57.54 1kkc s PHE 171 Cb 0.10 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1kkc s PHE 171 CO 0.48 -0.64 -0.08 0.20 -0.05 0.00 0.00 175.22 175.13 1kkc s GLY 172 N -1.47 0.87 -0.09 1.99 0.00 -1.26 -1.88 107.32 105.47 1kkc s GLY 172 Ca -0.08 -1.38 -0.00 0.00 0.00 0.00 0.00 44.72 43.26 1kkc s GLY 172 CO 0.06 -1.48 -0.07 0.14 0.00 0.00 0.00 173.10 171.75 1kkc s VAL 173 N -3.41 0.88 -0.19 1.40 1.01 -0.08 -4.88 120.40 115.12 1kkc s VAL 173 Ca 0.13 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1kkc s VAL 173 Cb 0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1kkc s VAL 173 CO -0.03 0.33 1.23 -0.62 0.00 0.00 0.00 175.10 176.02 1kkc s ASP 174 N 1.53 6.94 -0.04 3.32 2.15 -1.26 -1.62 116.67 127.68 1kkc s ASP 174 Ca 0.01 1.57 0.16 0.00 0.43 0.00 0.00 52.55 54.72 1kkc s ASP 174 Cb -0.13 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.46 1kkc s ASP 174 CO -0.05 -0.79 1.43 0.23 -0.17 0.00 0.00 175.17 175.82 1kkc n MET 175 N 6.65 3.03 -1.88 4.34 2.81 -0.28 -4.84 117.12 126.95 1kkc n MET 175 Ca 0.14 -2.48 -0.37 0.00 -1.81 0.00 0.00 57.70 53.17 1kkc n MET 175 Cb 0.45 -1.54 0.04 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.36 2.28 0.42 2.03 0.52 -1.22 -4.57 118.94 117.04 1kkc s TRP 176 Ca 0.38 1.47 0.11 0.00 0.02 0.00 0.00 56.10 58.08 1kkc s TRP 176 Cb 0.23 -3.62 0.92 0.00 -1.15 0.00 0.00 33.47 29.84 1kkc s TRP 176 CO 0.22 -2.58 2.00 0.93 0.02 0.00 0.00 176.95 177.55 1kkc h GLU 177 N 0.96 0.25 0.00 4.98 5.08 -1.93 -1.80 114.58 122.12 1kkc h GLU 177 Ca -0.51 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1kkc h GLU 177 Cb 1.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1kkc h GLU 177 CO 0.55 0.28 0.00 -2.39 -1.00 0.00 0.00 179.01 176.45 1kkc n HIS 178 N -4.38 0.59 1.16 4.33 1.44 -1.26 -0.21 115.22 116.88 1kkc n HIS 178 Ca -0.00 0.28 0.14 0.00 -2.01 0.00 0.00 57.72 56.12 1kkc n HIS 178 Cb 0.18 -0.94 0.53 0.00 0.12 0.00 0.00 29.99 29.88 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 2.78 -0.03 1.59 0.00 -0.68 -4.56 120.51 117.91 1kkc n ALA 179 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1kkc n ALA 179 Cb 0.10 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.31 0.00 -0.26 0.00 4.11 -0.56 -4.98 117.16 114.15 1kkc n TYR 180 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.06 1kkc n TYR 180 Cb 0.31 0.00 0.20 0.00 -0.00 0.00 0.00 39.34 39.86 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 0.47 -0.60 -3.48 3.20 -0.79 0.22 116.97 115.99 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 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1kkc h TYR 181 CO 0.00 0.01 0.40 -0.07 -1.64 0.00 0.00 178.16 176.86 1kkc h LEU 182 N 0.39 0.43 0.01 2.82 3.38 -1.88 0.14 115.31 120.60 1kkc h LEU 182 Ca 0.44 0.01 -0.41 0.00 0.09 0.00 0.00 57.88 58.00 1kkc h LEU 182 Cb 0.71 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1kkc h LEU 182 CO -0.45 0.27 -2.39 1.67 0.09 0.00 0.00 178.44 177.63 1kkc n GLN 183 N -4.48 0.63 0.00 1.13 7.27 -0.51 -4.62 117.38 116.80 1kkc n GLN 183 Ca 0.09 0.23 0.11 0.00 0.07 0.00 0.00 57.00 57.50 1kkc n GLN 183 Cb 0.32 -1.54 -0.05 0.00 2.41 0.00 0.00 30.24 31.37 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 -3.76 0.00 -2.58 3.69 4.01 0.67 -5.05 117.16 114.14 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 0.93 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 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 -0.67 0.00 0.02 7.72 4.77 0.50 -0.90 117.00 128.44 1kkc n LEU 185 Ca 0.07 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.15 1kkc n LEU 185 Cb 0.41 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.93 1kkc n LEU 185 CO 0.35 0.00 0.82 -0.46 -1.33 0.00 0.00 177.39 176.77 1kkc n ASN 186 N 1.61 0.14 -3.66 -1.43 6.94 -1.26 -4.38 115.26 113.22 1kkc n ASN 186 Ca 0.00 0.53 -0.42 0.00 -0.02 0.00 0.00 54.58 54.67 1kkc n ASN 186 Cb 0.00 -0.56 -0.02 0.00 -2.36 0.00 0.00 39.78 36.85 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 -1.65 3.92 0.30 0.53 2.03 -0.08 -4.66 116.55 116.95 1kkc n ASP 187 Ca 0.04 -2.77 0.19 0.00 0.52 0.00 0.00 54.79 52.77 1kkc n ASP 187 Cb 0.24 -1.52 0.90 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 6.36 0.00 -0.41 -0.67 2.10 -1.81 -2.72 116.57 119.42 1kkc h LYS 188 Ca 0.56 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.18 1kkc h LYS 188 Cb 0.61 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 1kkc h LYS 188 CO 1.89 0.01 0.14 0.00 -2.00 0.00 0.00 179.45 179.49 1kkc h ALA 189 N 1.99 0.54 -0.13 0.07 0.00 -1.96 -0.31 119.26 119.45 1kkc h ALA 189 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1kkc h ALA 189 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1kkc h ALA 189 CO 0.00 0.17 -0.32 0.77 0.00 0.00 0.00 179.25 179.87 1kkc h SER 190 N 0.52 0.26 -0.27 0.00 0.02 -1.88 -1.84 113.55 110.36 1kkc h SER 190 Ca 0.13 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1kkc h SER 190 Cb 0.24 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1kkc h SER 190 CO -0.01 0.58 0.09 0.22 -1.14 0.00 0.00 176.83 176.58 1kkc h TYR 191 N 0.23 0.43 -0.40 3.45 3.20 -1.39 0.27 116.97 122.76 1kkc h TYR 191 Ca 0.03 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1kkc h TYR 191 Cb 0.69 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1kkc h TYR 191 CO 0.01 0.46 0.21 0.00 -1.64 0.00 0.00 178.16 177.20 1kkc h ALA 192 N 0.92 0.50 -0.33 1.82 0.00 -0.75 -1.75 119.26 119.67 1kkc h ALA 192 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1kkc h ALA 192 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1kkc h ALA 192 CO -0.00 -0.15 0.09 -0.22 0.00 0.00 0.00 179.25 178.96 1kkc h LYS 193 N 0.42 0.52 -0.03 0.00 3.64 -1.18 -3.22 116.57 116.72 1kkc h LYS 193 Ca 0.17 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1kkc h LYS 193 Cb 0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1kkc h LYS 193 CO -0.11 0.58 -0.38 0.78 -2.27 0.00 0.00 179.45 178.04 1kkc h GLY 194 N 0.37 0.07 2.00 5.01 0.00 -0.72 -3.20 103.07 106.60 1kkc h GLY 194 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1kkc h GLY 194 CO -0.00 0.05 -0.17 1.19 0.00 0.00 0.00 176.54 177.61 1kkc h ILE 195 N 0.06 0.66 -0.11 2.60 2.10 -1.33 -2.38 117.51 119.10 1kkc h ILE 195 Ca 0.00 -0.74 0.03 0.00 1.08 0.00 0.00 64.86 65.23 1kkc h ILE 195 Cb 0.70 1.47 -0.00 0.00 -1.09 0.00 0.00 36.82 37.90 1kkc h ILE 195 CO 0.05 0.17 0.13 -0.50 -1.08 0.00 0.00 178.15 176.92 1kkc h TRP 196 N 0.00 0.00 0.00 2.19 4.06 -1.68 -0.88 115.95 119.65 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 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 1kkc h TRP 196 CO 0.00 0.00 -0.15 -0.91 -3.56 0.00 0.00 178.44 173.82 1kkc h ASN 197 N 0.00 0.00 -0.03 -3.49 2.35 -1.64 -3.12 115.58 109.65 1kkc h ASN 197 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1kkc h ASN 197 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1kkc h ASN 197 CO -0.00 0.15 0.00 1.33 -1.65 0.00 0.00 177.43 177.26 1kkc n VAL 198 N -3.48 1.93 -2.48 2.81 0.24 -0.35 -2.48 118.33 114.52 1kkc n VAL 198 Ca -0.01 -2.20 -0.42 0.00 -2.04 0.00 0.00 64.34 59.67 1kkc n VAL 198 Cb 0.31 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.84 4.24 -1.08 1.34 -1.09 -1.12 0.18 121.20 120.81 1kkc s ILE 199 Ca 0.33 1.60 -0.19 0.00 -2.23 0.00 0.00 60.65 60.15 1kkc s ILE 199 Cb 0.28 -4.02 0.10 0.00 -1.58 0.00 0.00 42.46 37.24 1kkc s ILE 199 CO 0.04 0.09 1.41 0.21 -1.23 0.00 0.00 174.94 175.46 1kkc s ASN 200 N 1.15 6.71 0.54 3.58 3.84 0.19 -0.17 114.94 130.78 1kkc s ASN 200 Ca 0.57 -2.12 0.30 0.00 0.21 0.00 0.00 52.86 51.81 1kkc s ASN 200 Cb -0.27 -2.49 1.52 0.00 -0.55 0.00 0.00 41.25 39.47 1kkc s ASN 200 CO 0.27 -1.16 2.09 -0.50 -2.79 0.00 0.00 177.10 175.01 1kkc h TRP 201 N 8.57 0.00 -0.61 0.43 4.06 -1.83 -2.31 115.95 124.26 1kkc h TRP 201 Ca 0.26 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.17 1kkc h TRP 201 Cb 0.96 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.09 1kkc h TRP 201 CO 1.24 0.10 0.22 0.00 -3.56 0.00 0.00 178.44 176.43 1kkc h ALA 202 N 1.90 0.80 -0.29 1.49 0.00 -1.85 0.40 119.26 121.72 1kkc h ALA 202 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1kkc h ALA 202 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kkc h ALA 202 CO 0.01 0.44 -0.30 1.49 0.00 0.00 0.00 179.25 180.89 1kkc h GLU 203 N 0.86 0.71 -0.54 0.00 4.57 -1.74 -2.92 114.58 115.54 1kkc h GLU 203 Ca 0.20 -0.38 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1kkc h GLU 203 Cb 0.25 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1kkc h GLU 203 CO -0.01 1.00 0.32 0.00 -1.18 0.00 0.00 179.01 179.14 1kkc h ALA 204 N 0.70 1.56 0.21 2.92 0.00 -1.22 -1.77 119.26 121.66 1kkc h ALA 204 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1kkc h ALA 204 Cb 0.88 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1kkc h ALA 204 CO 0.07 0.39 -0.10 1.49 0.00 0.00 0.00 179.25 181.10 1kkc h GLU 205 N 0.73 -0.27 -0.81 0.00 4.57 -0.77 -0.43 114.58 117.60 1kkc h GLU 205 Ca 0.19 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1kkc h GLU 205 Cb -0.03 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1kkc h GLU 205 CO -0.04 -0.18 0.53 -0.91 -1.18 0.00 0.00 179.01 177.24 1kkc h ASN 206 N -0.28 0.90 -0.62 1.04 -0.26 -1.27 -0.53 115.58 114.55 1kkc h ASN 206 Ca -0.03 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.62 1kkc h ASN 206 Cb 0.22 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1kkc h ASN 206 CO 0.05 0.63 0.08 0.03 -1.06 0.00 0.00 177.43 177.16 1kkc h ARG 207 N 1.06 1.04 -0.05 0.81 3.08 -1.14 0.08 114.38 119.25 1kkc h ARG 207 Ca 0.31 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1kkc h ARG 207 Cb -0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1kkc h ARG 207 CO -0.09 0.98 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.87 1kkc h TYR 208 N 0.95 0.10 -0.96 3.04 3.20 -0.65 0.43 116.97 123.09 1kkc h TYR 208 Ca 0.19 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1kkc h TYR 208 Cb 0.46 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1kkc h TYR 208 CO 0.03 0.41 0.63 0.82 -1.64 0.00 0.00 178.16 178.41 1kkc h ILE 209 N -0.23 1.22 -0.11 1.81 2.04 -1.05 -0.19 117.51 120.99 1kkc h ILE 209 Ca 0.01 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1kkc h ILE 209 Cb 0.37 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1kkc h ILE 209 CO 0.00 0.23 -0.23 0.00 0.00 0.00 0.00 178.15 178.16 1kkc h ALA 210 N 1.37 0.18 -6.06 1.87 0.00 -0.87 -3.28 119.26 112.45 1kkc h ALA 210 Ca 0.36 -0.38 -0.40 0.00 0.00 0.00 0.00 54.91 54.49 1kkc h ALA 210 Cb -0.10 -0.03 0.08 0.00 0.00 0.00 0.00 17.79 17.75 1kkc h ALA 210 CO -0.09 0.14 -0.88 0.41 0.00 0.00 0.00 179.25 178.83 1kkc n GLY 211 N 0.43 -0.67 3.49 0.00 0.00 0.15 -3.82 105.19 104.77 1kkc n GLY 211 Ca -0.07 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.89 6.14 0.00 1.61 2.15 -1.26 -3.51 116.67 117.90 1kkc s ASP 212 Ca 0.24 -0.65 0.13 0.00 0.43 0.00 0.00 52.55 52.70 1kkc s ASP 212 Cb -0.07 -2.18 0.79 0.00 -0.30 0.00 0.00 42.92 41.16 1kkc s ASP 212 CO 0.82 -0.43 1.22 0.29 -0.17 0.00 0.00 175.17 176.90