#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktj h ILE 19 N 0.00 1.34 0.00 5.18 6.09 -2.07 -2.70 117.51 125.35 3ktj h ILE 19 Ca 0.00 -1.64 -0.21 0.00 -1.37 0.00 0.00 64.86 61.65 3ktj h ILE 19 Cb 0.00 1.86 -0.03 0.00 0.47 0.00 0.00 36.82 39.11 3ktj h ILE 19 CO 0.00 0.47 -1.12 1.88 -3.07 0.00 0.00 178.15 176.32 3ktj h TYR 20 N 0.05 0.00 0.00 2.19 0.05 -2.00 -3.16 116.97 114.09 3ktj h TYR 20 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ktj h TYR 20 Cb 0.86 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.59 3ktj h TYR 20 CO 0.00 0.87 -0.01 0.77 -1.05 0.00 0.00 178.16 178.73 3ktj h SER 21 N 0.00 0.00 0.13 3.88 0.02 -1.91 -2.31 113.55 113.36 3ktj h SER 21 Ca -0.09 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.61 3ktj h SER 21 Cb 1.74 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.28 3ktj h SER 21 CO 0.10 0.01 -1.24 -0.09 -1.14 0.00 0.00 176.83 174.48 3ktj h ARG 22 N 0.00 0.28 -0.72 3.45 9.65 -1.49 -3.34 114.38 122.20 3ktj h ARG 22 Ca -0.00 -0.47 0.05 0.00 -1.10 0.00 0.00 59.98 58.46 3ktj h ARG 22 Cb 0.06 0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 3ktj h ARG 22 CO 0.00 1.23 0.43 -0.07 2.80 0.00 0.00 179.97 184.36 3ktj h LEU 23 N -0.30 0.68 -1.05 3.80 3.38 -1.40 -0.08 115.31 120.35 3ktj h LEU 23 Ca -0.25 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ktj h LEU 23 Cb 1.75 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3ktj h LEU 23 CO 0.10 0.45 0.00 -0.11 0.09 0.00 0.00 178.44 178.97 3ktj n LEU 24 N -4.70 0.56 0.14 1.67 7.94 -1.00 -0.35 117.00 121.25 3ktj n LEU 24 Ca 0.09 0.71 0.01 0.00 -1.11 0.00 0.00 56.01 55.71 3ktj n LEU 24 Cb 0.14 -0.71 0.07 0.00 0.53 0.00 0.00 43.42 43.45 3ktj n LEU 24 CO 0.31 -0.76 0.46 0.50 -1.11 0.00 0.00 177.39 176.79 3ktj h LYS 25 N 0.00 0.00 -0.47 1.96 1.63 -1.12 -3.03 116.57 115.54 3ktj h LYS 25 Ca 0.00 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.63 3ktj h LYS 25 Cb 0.14 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.67 3ktj h LYS 25 CO 0.00 0.56 0.09 -0.25 -3.45 0.00 0.00 179.45 176.41 3ktj n ASP 26 N -3.32 3.47 -3.31 4.20 9.92 0.52 -4.98 116.55 123.05 3ktj n ASP 26 Ca 0.01 -3.43 -0.17 0.00 -0.53 0.00 0.00 54.79 50.67 3ktj n ASP 26 Cb 0.72 -0.65 0.07 0.00 -0.64 0.00 0.00 41.12 40.62 3ktj n ASP 26 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3ktj n ARG 27 N -0.77 -2.71 -4.15 -1.24 1.74 -0.87 -4.96 116.66 103.69 3ktj n ARG 27 Ca 0.34 0.83 -0.19 0.00 -0.77 0.00 0.00 57.85 58.07 3ktj n ARG 27 Cb 1.13 -5.70 -0.16 0.00 -1.02 0.00 0.00 32.46 26.71 3ktj n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ktj s ILE 28 N -3.40 0.48 -0.07 0.55 1.01 -0.88 -2.52 121.20 116.38 3ktj s ILE 28 Ca 0.40 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.97 3ktj s ILE 28 Cb -0.06 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 3ktj s ILE 28 CO 0.75 0.19 -0.23 -0.63 0.00 0.00 0.00 174.94 175.02 3ktj s ILE 29 N 0.66 2.22 -0.32 2.92 1.01 0.13 -3.32 121.20 124.50 3ktj s ILE 29 Ca -0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 3ktj s ILE 29 Cb -0.12 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3ktj s ILE 29 CO -0.00 0.57 0.17 -0.04 0.00 0.00 0.00 174.94 175.64 3ktj s MET 30 N -0.14 3.35 -0.81 2.79 -1.94 -1.26 -0.76 119.30 120.53 3ktj s MET 30 Ca -0.04 -0.72 -0.03 0.00 -1.71 0.00 0.00 55.69 53.20 3ktj s MET 30 Cb -0.14 -3.61 0.20 0.00 2.01 0.00 0.00 34.83 33.29 3ktj s MET 30 CO 0.04 -0.43 0.68 -1.17 -0.01 0.00 0.00 175.02 174.13 3ktj s LEU 31 N 1.63 5.52 -0.27 -0.03 2.96 0.07 -4.90 118.68 123.66 3ktj s LEU 31 Ca 0.05 -3.41 0.08 0.00 -0.22 0.00 0.00 54.13 50.63 3ktj s LEU 31 Cb -0.17 -1.91 0.45 0.00 0.50 0.00 0.00 46.19 45.06 3ktj s LEU 31 CO 0.07 -0.26 1.22 0.61 -1.32 0.00 0.00 176.35 176.67 3ktj n GLY 32 N 2.76 5.98 3.37 7.98 0.00 -1.26 -1.05 105.19 122.97 3ktj n GLY 32 Ca 0.17 -2.21 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 3ktj n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktj s SER 33 N -3.44 -0.02 0.77 1.61 1.04 -1.22 -4.84 113.70 107.61 3ktj s SER 33 Ca 0.47 -0.77 -0.14 0.00 0.48 0.00 0.00 55.95 55.98 3ktj s SER 33 Cb 0.40 0.46 0.06 0.00 0.10 0.00 0.00 66.02 67.04 3ktj s SER 33 CO 0.00 -0.92 1.21 0.00 0.98 0.00 0.00 173.24 174.51 3ktj n ALA 34 N -0.23 0.20 -2.61 5.32 0.00 -1.26 -4.64 120.51 117.28 3ktj n ALA 34 Ca -0.08 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 3ktj n ALA 34 Cb 0.63 -2.26 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 3ktj n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ktj s ILE 35 N -1.96 5.08 0.15 0.00 1.01 0.63 -4.88 121.20 121.24 3ktj s ILE 35 Ca 0.75 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.15 3ktj s ILE 35 Cb -0.31 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3ktj s ILE 35 CO 0.49 0.06 0.09 1.51 0.00 0.00 0.00 174.94 177.09 3ktj s ASP 36 N 1.59 0.24 0.32 3.58 1.47 -1.26 0.08 116.67 122.70 3ktj s ASP 36 Ca 0.20 -1.25 0.08 0.00 1.18 0.00 0.00 52.55 52.76 3ktj s ASP 36 Cb -0.16 0.33 0.93 0.00 -0.34 0.00 0.00 42.92 43.69 3ktj s ASP 36 CO 0.10 -0.77 1.60 0.44 0.68 0.00 0.00 175.17 177.22 3ktj h ASP 37 N 2.77 -0.04 0.19 2.11 3.45 -1.96 -0.78 116.42 122.16 3ktj h ASP 37 Ca -0.35 0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 3ktj h ASP 37 Cb 1.22 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 40.33 3ktj h ASP 37 CO 0.56 -0.30 -0.09 0.78 -1.57 0.00 0.00 179.24 178.62 3ktj h ASN 38 N 0.09 -0.22 -0.08 6.45 2.35 -1.99 -0.36 115.58 121.82 3ktj h ASN 38 Ca 0.67 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 56.29 3ktj h ASN 38 Cb 1.51 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.89 3ktj h ASN 38 CO -0.78 0.04 -0.23 0.58 -1.65 0.00 0.00 177.43 175.39 3ktj h VAL 39 N -0.49 0.44 -0.86 2.81 2.07 -1.60 -2.46 116.25 116.16 3ktj h VAL 39 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3ktj h VAL 39 Cb 0.37 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3ktj h VAL 39 CO 0.04 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.20 3ktj h ALA 40 N 0.60 1.43 0.00 1.67 0.00 -1.16 -2.45 119.26 119.35 3ktj h ALA 40 Ca 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ktj h ALA 40 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ktj h ALA 40 CO -0.27 0.50 -0.38 -0.91 0.00 0.00 0.00 179.25 178.20 3ktj h ASN 41 N 1.11 0.00 -0.15 0.00 2.35 -0.64 -2.82 115.58 115.43 3ktj h ASN 41 Ca 0.33 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.95 3ktj h ASN 41 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3ktj h ASN 41 CO -0.09 0.38 -0.43 -1.28 -1.65 0.00 0.00 177.43 174.36 3ktj h SER 42 N 0.00 0.63 -0.62 5.81 0.87 -1.00 -2.97 113.55 116.27 3ktj h SER 42 Ca -0.00 -0.59 -0.00 0.00 -1.23 0.00 0.00 61.79 59.96 3ktj h SER 42 Cb 0.74 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3ktj h SER 42 CO 0.05 1.11 0.38 0.40 -0.53 0.00 0.00 176.83 178.24 3ktj h ILE 43 N 0.18 1.18 -0.46 2.23 2.04 -1.45 -2.75 117.51 118.48 3ktj h ILE 43 Ca -0.01 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3ktj h ILE 43 Cb 1.05 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3ktj h ILE 43 CO 0.09 0.18 0.20 0.58 0.00 0.00 0.00 178.15 179.20 3ktj h VAL 44 N 0.83 1.20 0.00 1.67 2.07 -1.55 -1.83 116.25 118.64 3ktj h VAL 44 Ca 0.22 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3ktj h VAL 44 Cb -0.04 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3ktj h VAL 44 CO -0.04 0.22 -0.08 0.77 0.02 0.00 0.00 177.57 178.46 3ktj h SER 45 N 0.61 0.00 0.15 0.57 4.64 -1.38 -2.23 113.55 115.90 3ktj h SER 45 Ca 0.16 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 3ktj h SER 45 Cb 0.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3ktj h SER 45 CO -0.02 0.08 -0.99 1.56 -0.87 0.00 0.00 176.83 176.59 3ktj h GLN 46 N 0.00 0.31 0.00 4.77 4.20 -1.12 -2.79 115.11 120.48 3ktj h GLN 46 Ca -0.00 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 3ktj h GLN 46 Cb 0.25 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 3ktj h GLN 46 CO 0.01 1.25 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.30 3ktj h LEU 47 N -0.32 0.00 0.00 1.46 3.38 -1.09 -0.70 115.31 118.04 3ktj h LEU 47 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3ktj h LEU 47 Cb 1.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 3ktj h LEU 47 CO 0.14 0.05 -0.34 -0.07 0.09 0.00 0.00 178.44 178.32 3ktj h LEU 48 N 0.00 0.00 0.08 1.67 3.38 -1.45 -3.10 115.31 115.90 3ktj h LEU 48 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3ktj h LEU 48 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ktj h LEU 48 CO 0.01 0.09 -0.48 0.15 0.09 0.00 0.00 178.44 178.30 3ktj h PHE 49 N 0.00 0.32 -0.21 1.13 3.57 -0.87 -3.15 116.94 117.73 3ktj h PHE 49 Ca -0.01 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 3ktj h PHE 49 Cb 1.08 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3ktj h PHE 49 CO 0.00 1.18 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.16 3ktj h LEU 50 N -0.63 0.28 -0.77 0.59 3.38 -1.43 -1.53 115.31 115.20 3ktj h LEU 50 Ca -0.08 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3ktj h LEU 50 Cb 1.38 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3ktj h LEU 50 CO 0.09 0.37 -0.41 0.00 0.09 0.00 0.00 178.44 178.58 3ktj h ALA 51 N 1.67 0.93 0.00 1.53 0.00 -1.65 -2.86 119.26 118.88 3ktj h ALA 51 Ca 0.07 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 3ktj h ALA 51 Cb 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ktj h ALA 51 CO 0.01 0.51 -0.98 0.00 0.00 0.00 0.00 179.25 178.79 3ktj h ALA 52 N 1.59 0.38 0.00 0.00 0.00 -1.26 -2.76 119.26 117.21 3ktj h ALA 52 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3ktj h ALA 52 Cb 0.99 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ktj h ALA 52 CO 0.05 1.21 -0.02 0.39 0.00 0.00 0.00 179.25 180.88 3ktj n GLU 53 N -3.34 0.25 0.00 0.00 1.02 -0.79 -4.76 120.64 113.03 3ktj n GLU 53 Ca -0.00 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3ktj n GLU 53 Cb 0.93 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3ktj n GLU 53 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ktj n ASP 54 N -2.23 0.00 -0.34 1.62 2.03 -1.09 -5.02 116.55 111.52 3ktj n ASP 54 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3ktj n ASP 54 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 3ktj n ASP 54 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ktj n PRO 55 N 0.00 0.51 -0.04 -0.67 -0.04 -1.04 -3.33 135.00 130.39 3ktj n PRO 55 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 3ktj n PRO 55 Cb 0.00 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 3ktj n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ktj n GLU 56 N 0.01 0.24 -1.76 0.54 -0.58 -1.26 -4.01 120.64 113.82 3ktj n GLU 56 Ca 0.00 0.10 -0.40 0.00 -0.42 0.00 0.00 57.16 56.44 3ktj n GLU 56 Cb 0.09 -0.91 0.02 0.00 -0.57 0.00 0.00 31.44 30.07 3ktj n GLU 56 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ktj n LYS 57 N -3.68 2.23 -2.14 3.49 4.76 -1.21 -4.80 118.16 116.80 3ktj n LYS 57 Ca -0.16 0.79 -0.27 0.00 -2.87 0.00 0.00 58.31 55.80 3ktj n LYS 57 Cb 0.48 -2.60 0.10 0.00 -1.84 0.00 0.00 35.03 31.17 3ktj n LYS 57 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3ktj s GLU 58 N -2.41 1.78 0.06 1.97 -1.05 -1.26 -4.70 118.70 113.09 3ktj s GLU 58 Ca 0.61 -0.33 0.08 0.00 -0.15 0.00 0.00 54.97 55.18 3ktj s GLU 58 Cb -0.46 -2.09 -0.03 0.00 -0.44 0.00 0.00 34.13 31.12 3ktj s GLU 58 CO 0.58 -1.56 -0.21 0.42 0.95 0.00 0.00 175.26 175.44 3ktj s ILE 59 N -3.42 1.71 -0.09 1.83 1.01 -0.58 -4.91 121.20 116.74 3ktj s ILE 59 Ca 0.64 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3ktj s ILE 59 Cb -0.09 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 3ktj s ILE 59 CO 0.47 0.14 -0.20 -0.44 0.00 0.00 0.00 174.94 174.90 3ktj s SER 60 N -1.39 3.44 -0.21 3.58 0.01 -1.05 -1.24 113.70 116.84 3ktj s SER 60 Ca 0.07 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3ktj s SER 60 Cb -0.09 -1.20 0.03 0.00 0.21 0.00 0.00 66.02 64.97 3ktj s SER 60 CO 0.03 0.21 -0.15 -0.22 0.41 0.00 0.00 173.24 173.52 3ktj s LEU 61 N 0.04 2.69 -0.13 2.44 2.96 -0.03 0.18 118.68 126.83 3ktj s LEU 61 Ca -0.08 -0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 52.79 3ktj s LEU 61 Cb -0.15 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3ktj s LEU 61 CO 0.05 -0.07 0.38 -0.31 -1.32 0.00 0.00 176.35 175.08 3ktj s TYR 62 N 1.25 3.50 -0.09 5.38 1.51 0.06 -1.74 117.35 127.22 3ktj s TYR 62 Ca 0.00 0.75 0.04 0.00 -1.01 0.00 0.00 57.07 56.86 3ktj s TYR 62 Cb -0.16 -2.44 -0.00 0.00 -0.11 0.00 0.00 41.96 39.25 3ktj s TYR 62 CO -0.09 0.22 -0.24 0.42 -1.11 0.00 0.00 175.55 174.76 3ktj s ILE 63 N 0.47 2.01 -0.42 2.71 1.01 0.14 -0.75 121.20 126.38 3ktj s ILE 63 Ca 0.21 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.93 3ktj s ILE 63 Cb -0.14 -1.73 0.18 0.00 0.01 0.00 0.00 42.46 40.78 3ktj s ILE 63 CO 0.07 0.55 0.66 0.21 0.00 0.00 0.00 174.94 176.43 3ktj s ASN 64 N 0.26 -1.49 0.05 3.58 2.47 -0.21 -1.23 114.94 118.37 3ktj s ASN 64 Ca -0.16 -0.85 -0.17 0.00 0.42 0.00 0.00 52.86 52.11 3ktj s ASN 64 Cb -0.17 1.91 0.03 0.00 -1.45 0.00 0.00 41.25 41.57 3ktj s ASN 64 CO 0.08 -0.15 0.38 -0.94 -3.72 0.00 0.00 177.10 172.74 3ktj s SER 65 N 1.76 -0.23 0.00 -4.21 1.04 -0.98 -3.40 113.70 107.68 3ktj s SER 65 Ca 0.17 -0.07 0.27 0.00 0.48 0.00 0.00 55.95 56.80 3ktj s SER 65 Cb -0.03 0.40 1.38 0.00 0.10 0.00 0.00 66.02 67.87 3ktj s SER 65 CO -0.07 -0.65 1.91 -0.81 0.98 0.00 0.00 173.24 174.60 3ktj n PRO 66 N 0.52 1.28 0.00 4.02 -0.04 -1.26 -2.79 135.00 136.72 3ktj n PRO 66 Ca -0.18 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 3ktj n PRO 66 Cb 0.60 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 3ktj n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ktj n GLY 67 N 1.03 -0.76 0.00 0.55 0.00 -1.23 -4.57 105.19 100.20 3ktj n GLY 67 Ca 0.20 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3ktj n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktj n GLY 68 N 0.00 -0.57 3.73 -0.02 0.00 -1.26 -0.27 105.19 106.80 3ktj n GLY 68 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3ktj n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ktj s SER 69 N -4.00 6.44 0.27 1.61 0.15 0.11 -4.81 113.70 113.47 3ktj s SER 69 Ca 0.00 2.83 -0.00 0.00 0.70 0.00 0.00 55.95 59.48 3ktj s SER 69 Cb 0.00 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 62.07 3ktj s SER 69 CO 0.00 -0.91 1.74 0.40 1.20 0.00 0.00 173.24 175.67 3ktj h ILE 70 N 3.72 1.25 0.00 6.45 2.04 -2.00 -2.05 117.51 126.91 3ktj h ILE 70 Ca -0.44 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 3ktj h ILE 70 Cb 1.21 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3ktj h ILE 70 CO 0.89 0.37 -0.18 0.71 0.00 0.00 0.00 178.15 179.95 3ktj h THR 71 N 0.59 0.31 0.04 -0.27 1.35 -1.98 -2.86 112.91 110.09 3ktj h THR 71 Ca 0.10 -1.41 -0.23 0.00 -0.55 0.00 0.00 66.41 64.33 3ktj h THR 71 Cb 0.55 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 3ktj h THR 71 CO 0.03 0.17 -1.06 0.00 -0.25 0.00 0.00 175.52 174.42 3ktj h ALA 72 N 1.82 0.29 -0.18 6.62 0.00 -1.85 -3.13 119.26 122.83 3ktj h ALA 72 Ca -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 3ktj h ALA 72 Cb 1.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ktj h ALA 72 CO 0.02 1.14 -0.14 0.78 0.00 0.00 0.00 179.25 181.05 3ktj h GLY 73 N 2.48 0.45 0.74 0.00 0.00 -1.35 -3.14 103.07 102.25 3ktj h GLY 73 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 46.88 3ktj h GLY 73 CO 0.15 0.40 0.29 -0.33 0.00 0.00 0.00 176.54 177.06 3ktj h MET 74 N 0.09 0.55 -0.52 4.80 2.86 -1.59 -0.20 114.93 120.91 3ktj h MET 74 Ca 0.03 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 3ktj h MET 74 Cb 0.66 -0.12 -0.10 0.00 0.06 0.00 0.00 31.60 32.09 3ktj h MET 74 CO 0.04 0.36 -0.19 0.00 1.06 0.00 0.00 176.91 178.18 3ktj h ALA 75 N 1.28 0.24 -0.21 6.32 0.00 -1.54 0.52 119.26 125.88 3ktj h ALA 75 Ca 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3ktj h ALA 75 Cb 0.13 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ktj h ALA 75 CO -0.15 -0.50 0.08 0.82 0.00 0.00 0.00 179.25 179.49 3ktj h ILE 76 N -0.06 1.17 -0.99 0.00 2.04 -1.39 -2.65 117.51 115.62 3ktj h ILE 76 Ca 0.25 -0.52 0.09 0.00 1.00 0.00 0.00 64.86 65.68 3ktj h ILE 76 Cb 0.45 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3ktj h ILE 76 CO -0.57 0.17 0.64 0.22 0.00 0.00 0.00 178.15 178.60 3ktj h TYR 77 N 0.18 1.16 0.00 1.37 3.20 0.51 -2.06 116.97 121.32 3ktj h TYR 77 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ktj h TYR 77 Cb 0.19 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.08 3ktj h TYR 77 CO -0.01 0.54 0.00 -0.44 -1.64 0.00 0.00 178.16 176.61 3ktj h ASP 78 N 1.08 0.00 0.76 -2.11 3.45 0.20 -3.03 116.42 116.78 3ktj h ASP 78 Ca 0.46 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.69 3ktj h ASP 78 Cb 0.31 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.04 3ktj h ASP 78 CO -0.21 0.00 -1.35 0.74 -1.57 0.00 0.00 179.24 176.85 3ktj h THR 79 N 0.00 0.93 -0.70 0.35 2.02 -1.04 -3.07 112.91 111.40 3ktj h THR 79 Ca 0.00 -2.61 -0.03 0.00 0.77 0.00 0.00 66.41 64.54 3ktj h THR 79 Cb 0.70 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 69.48 3ktj h THR 79 CO 0.00 0.53 0.31 0.24 0.37 0.00 0.00 175.52 176.97 3ktj h MET 80 N 0.00 1.02 -0.03 6.66 2.86 -1.30 -3.01 114.93 121.12 3ktj h MET 80 Ca -0.16 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 3ktj h MET 80 Cb 1.78 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 33.26 3ktj h MET 80 CO 0.08 0.80 -0.32 1.96 1.06 0.00 0.00 176.91 180.49 3ktj h GLN 81 N 1.00 0.27 -0.29 1.72 1.08 -1.62 -3.37 115.11 113.91 3ktj h GLN 81 Ca 0.24 -0.25 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 3ktj h GLN 81 Cb 0.14 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.58 3ktj h GLN 81 CO -0.03 0.93 -0.09 0.35 -0.95 0.00 0.00 178.83 179.04 3ktj h PHE 82 N -0.30 -0.20 -4.27 2.96 3.57 -1.44 -3.45 116.94 113.82 3ktj h PHE 82 Ca -0.03 0.03 -0.52 0.00 3.53 0.00 0.00 57.97 60.98 3ktj h PHE 82 Cb 1.02 0.13 0.16 0.00 2.79 0.00 0.00 35.95 40.05 3ktj h PHE 82 CO 0.15 -0.15 0.30 0.96 -2.23 0.00 0.00 178.31 177.34 3ktj s ILE 83 N -6.20 2.67 -0.07 1.41 -4.36 -1.15 -5.00 121.20 108.51 3ktj s ILE 83 Ca -0.14 0.24 -0.26 0.00 -0.26 0.00 0.00 60.65 60.23 3ktj s ILE 83 Cb 0.12 -2.56 -0.23 0.00 1.25 0.00 0.00 42.46 41.04 3ktj s ILE 83 CO 0.69 -0.26 1.01 0.11 0.24 0.00 0.00 174.94 176.73 3ktj h LYS 84 N -1.21 0.09 -6.47 0.37 1.57 -1.87 -3.46 116.57 105.58 3ktj h LYS 84 Ca -0.44 -0.09 -0.60 0.00 -1.87 0.00 0.00 60.65 57.64 3ktj h LYS 84 Cb 1.26 0.03 0.13 0.00 0.08 0.00 0.00 32.23 33.72 3ktj h LYS 84 CO 0.47 0.85 -0.04 -2.30 -0.57 0.00 0.00 179.45 177.87 3ktj n PRO 85 N -4.61 1.07 -2.80 3.15 -0.02 -1.26 -4.94 135.00 125.59 3ktj n PRO 85 Ca -0.10 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 3ktj n PRO 85 Cb 0.44 -1.78 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3ktj n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ktj s LYS 86 N -1.70 4.34 -0.12 -0.52 1.02 -1.26 -4.85 119.74 116.64 3ktj s LYS 86 Ca 0.62 1.19 0.02 0.00 0.02 0.00 0.00 55.97 57.82 3ktj s LYS 86 Cb -0.63 -2.38 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3ktj s LYS 86 CO 0.58 0.06 -0.19 0.08 -0.92 0.00 0.00 175.35 174.97 3ktj s VAL 87 N -1.99 2.50 -0.10 3.17 1.01 -1.26 -1.53 120.40 122.20 3ktj s VAL 87 Ca 0.58 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3ktj s VAL 87 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3ktj s VAL 87 CO 0.17 0.54 0.06 -0.44 0.00 0.00 0.00 175.10 175.42 3ktj s SER 88 N 0.45 5.68 -0.10 3.32 0.01 -0.37 -0.54 113.70 122.15 3ktj s SER 88 Ca -0.13 0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.42 3ktj s SER 88 Cb -0.17 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 3ktj s SER 88 CO 0.06 0.38 -0.19 0.42 0.41 0.00 0.00 173.24 174.32 3ktj s THR 89 N -0.89 2.53 -0.11 1.44 -4.23 0.36 -0.85 115.64 113.89 3ktj s THR 89 Ca 0.14 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 3ktj s THR 89 Cb -0.12 -2.01 -0.00 0.00 1.34 0.00 0.00 72.50 71.72 3ktj s THR 89 CO 0.03 0.55 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.80 3ktj s ILE 90 N 0.19 2.17 -0.19 2.99 1.09 -0.71 0.04 121.20 126.77 3ktj s ILE 90 Ca -0.11 -0.98 -0.14 0.00 -1.10 0.00 0.00 60.65 58.32 3ktj s ILE 90 Cb -0.16 -1.84 -0.04 0.00 -1.06 0.00 0.00 42.46 39.36 3ktj s ILE 90 CO 0.06 0.55 0.31 0.00 -0.10 0.00 0.00 174.94 175.77 3ktj s ILE 92 N 0.89 0.94 0.00 0.00 2.07 -0.36 -2.67 121.20 122.07 3ktj s ILE 92 Ca 0.16 -1.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 3ktj s ILE 92 Cb -0.14 -1.58 0.00 0.00 0.13 0.00 0.00 42.46 40.88 3ktj s ILE 92 CO 0.05 -0.48 0.00 0.61 -1.91 0.00 0.00 174.94 173.21 3ktj n GLY 93 N 4.85 1.85 3.37 1.50 0.00 -1.26 -4.43 105.19 111.06 3ktj n GLY 93 Ca -0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 3ktj n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ktj s MET 94 N 0.00 0.54 -0.29 1.61 -2.45 -1.26 -1.24 119.30 116.21 3ktj s MET 94 Ca 0.00 0.72 -0.02 0.00 -1.25 0.00 0.00 55.69 55.14 3ktj s MET 94 Cb 0.00 0.21 0.10 0.00 1.25 0.00 0.00 34.83 36.39 3ktj s MET 94 CO 0.00 -0.09 0.10 0.00 1.05 0.00 0.00 175.02 176.09 3ktj s ALA 95 N 0.54 1.14 0.12 4.11 0.00 -0.83 -2.32 121.76 124.53 3ktj s ALA 95 Ca -0.02 -1.36 0.08 0.00 0.00 0.00 0.00 51.96 50.66 3ktj s ALA 95 Cb -0.04 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3ktj s ALA 95 CO -0.03 -1.61 -0.13 0.00 0.00 0.00 0.00 175.76 173.99 3ktj s ALA 96 N 1.82 2.86 0.00 0.00 0.00 -1.12 -2.69 121.76 122.63 3ktj s ALA 96 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3ktj s ALA 96 Cb -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.17 3ktj s ALA 96 CO -0.28 0.60 0.00 0.45 0.00 0.00 0.00 175.76 176.53 3ktj n SER 97 N 0.64 0.00 0.32 0.00 2.88 0.97 -0.46 113.62 117.97 3ktj n SER 97 Ca -0.14 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.59 3ktj n SER 97 Cb 0.53 0.00 1.06 0.00 -0.75 0.00 0.00 64.21 65.05 3ktj n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3ktj h MET 98 N 0.00 0.00 -0.05 -1.46 0.00 -1.87 0.09 114.93 111.64 3ktj h MET 98 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 59.70 59.47 3ktj h MET 98 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.60 31.61 3ktj h MET 98 CO 0.00 0.00 -0.90 0.78 0.00 0.00 0.00 176.91 176.79 3ktj h GLY 99 N 0.05 0.66 1.71 8.32 0.00 -1.04 -2.34 103.07 110.43 3ktj h GLY 99 Ca -0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 47.33 46.14 3ktj h GLY 99 CO 0.00 0.94 -0.49 0.00 0.00 0.00 0.00 176.54 176.99 3ktj h ALA 100 N 0.62 0.94 0.12 3.60 0.00 -1.04 -2.49 119.26 121.00 3ktj h ALA 100 Ca -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3ktj h ALA 100 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ktj h ALA 100 CO 0.17 0.66 -0.06 0.35 0.00 0.00 0.00 179.25 180.37 3ktj h PHE 101 N 0.25 -0.15 -0.91 0.00 3.57 -0.94 -2.19 116.94 116.57 3ktj h PHE 101 Ca 0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ktj h PHE 101 Cb 0.96 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3ktj h PHE 101 CO 0.02 0.03 0.59 -0.07 -2.23 0.00 0.00 178.31 176.65 3ktj h LEU 102 N -0.30 1.06 -0.24 0.59 3.38 -1.36 -2.26 115.31 116.19 3ktj h LEU 102 Ca -0.02 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ktj h LEU 102 Cb 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3ktj h LEU 102 CO 0.03 0.77 0.03 0.25 0.09 0.00 0.00 178.44 179.61 3ktj h LEU 103 N 1.24 -0.03 0.00 1.67 5.85 -1.26 0.70 115.31 123.48 3ktj h LEU 103 Ca 0.33 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3ktj h LEU 103 Cb -0.12 0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3ktj h LEU 103 CO -0.07 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 3ktj n ALA 104 N -2.33 1.27 1.17 1.25 0.00 -0.84 -1.76 120.51 119.27 3ktj n ALA 104 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.53 3ktj n ALA 104 Cb 0.11 -1.09 0.33 0.00 0.00 0.00 0.00 19.45 18.80 3ktj n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ktj n ALA 105 N -1.49 2.51 -1.36 0.00 0.00 0.23 -4.92 120.51 115.48 3ktj n ALA 105 Ca 0.01 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 3ktj n ALA 105 Cb 0.07 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 18.58 3ktj n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ktj s GLY 106 N -1.87 2.08 -0.11 0.00 0.00 -0.72 -4.87 107.32 101.83 3ktj s GLY 106 Ca 0.34 0.58 -0.41 0.00 0.00 0.00 0.00 44.72 45.24 3ktj s GLY 106 CO 0.31 0.95 1.31 -2.21 0.00 0.00 0.00 173.10 173.46 3ktj n GLU 107 N -2.83 0.38 -1.66 2.90 4.07 0.30 -4.75 120.64 119.06 3ktj n GLU 107 Ca 0.11 0.14 -0.47 0.00 -0.06 0.00 0.00 57.16 56.88 3ktj n GLU 107 Cb 0.52 -1.69 -0.04 0.00 -0.06 0.00 0.00 31.44 30.16 3ktj n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3ktj n LYS 108 N 2.65 2.21 0.00 5.31 3.00 -1.26 -0.26 118.16 129.80 3ktj n LYS 108 Ca 0.23 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 59.32 3ktj n LYS 108 Cb 0.08 -2.74 0.00 0.00 0.00 0.00 0.00 35.03 32.37 3ktj n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ktj n GLY 109 N 4.67 0.28 1.19 3.14 0.00 -1.26 -4.93 105.19 108.28 3ktj n GLY 109 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 3ktj n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ktj n LYS 110 N -1.67 1.84 -3.84 1.61 4.76 0.64 -4.92 118.16 116.58 3ktj n LYS 110 Ca 0.00 -3.33 -0.36 0.00 -2.87 0.00 0.00 58.31 51.75 3ktj n LYS 110 Cb 0.00 -1.54 -0.13 0.00 -1.84 0.00 0.00 35.03 31.52 3ktj n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3ktj s ARG 111 N -2.89 2.38 0.54 1.97 0.52 -1.25 -0.49 118.95 119.73 3ktj s ARG 111 Ca 0.40 -1.36 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 3ktj s ARG 111 Cb 0.38 -3.33 0.04 0.00 0.52 0.00 0.00 34.95 32.56 3ktj s ARG 111 CO -0.06 -0.73 0.32 0.66 0.02 0.00 0.00 175.30 175.52 3ktj n TYR 112 N 4.66 -0.19 -3.64 -0.53 4.02 0.11 0.22 117.16 121.81 3ktj n TYR 112 Ca -0.11 -2.37 -0.03 0.00 -0.01 0.00 0.00 57.90 55.38 3ktj n TYR 112 Cb 0.43 -0.42 -0.07 0.00 -0.02 0.00 0.00 39.34 39.26 3ktj n TYR 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ktj s ALA 113 N -2.81 -2.24 0.47 -0.72 0.00 -1.16 -2.14 121.76 113.15 3ktj s ALA 113 Ca 0.24 2.09 -0.22 0.00 0.00 0.00 0.00 51.96 54.07 3ktj s ALA 113 Cb -0.02 -1.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.35 3ktj s ALA 113 CO 0.15 -0.31 1.09 -0.51 0.00 0.00 0.00 175.76 176.19 3ktj s LEU 114 N 1.01 3.95 0.07 0.00 1.43 -1.09 -2.78 118.68 121.27 3ktj s LEU 114 Ca -0.05 2.11 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 3ktj s LEU 114 Cb -0.04 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.83 3ktj s LEU 114 CO -0.13 -0.83 0.58 -2.65 0.23 0.00 0.00 176.35 173.56 3ktj n PRO 115 N -0.66 -0.13 -1.04 1.29 -0.02 -1.25 -0.66 135.00 132.53 3ktj n PRO 115 Ca 0.08 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3ktj n PRO 115 Cb 0.50 -0.85 0.24 0.00 -0.02 0.00 0.00 33.50 33.37 3ktj n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ktj n ASN 116 N -4.51 4.25 -4.80 2.55 4.13 -1.26 -4.42 115.26 111.21 3ktj n ASN 116 Ca 0.02 -3.28 -0.34 0.00 1.68 0.00 0.00 54.58 52.66 3ktj n ASN 116 Cb 0.12 -0.77 -0.02 0.00 -1.54 0.00 0.00 39.78 37.57 3ktj n ASN 116 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3ktj s SER 117 N -0.99 6.20 0.00 6.41 0.15 0.17 -4.83 113.70 120.81 3ktj s SER 117 Ca 0.52 1.89 0.06 0.00 0.70 0.00 0.00 55.95 59.12 3ktj s SER 117 Cb 0.42 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.17 3ktj s SER 117 CO 0.12 -0.88 -0.19 -0.70 1.20 0.00 0.00 173.24 172.79 3ktj s GLU 118 N -3.48 1.47 -0.01 5.44 2.12 -0.37 -3.49 118.70 120.37 3ktj s GLU 118 Ca 0.66 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 55.30 3ktj s GLU 118 Cb -0.16 -1.46 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 3ktj s GLU 118 CO 0.25 0.39 -0.19 0.08 -0.54 0.00 0.00 175.26 175.25 3ktj s VAL 119 N -0.55 1.49 -0.03 3.70 1.01 0.08 -1.96 120.40 124.14 3ktj s VAL 119 Ca 0.07 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3ktj s VAL 119 Cb -0.08 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3ktj s VAL 119 CO -0.00 0.42 -0.03 -0.32 0.00 0.00 0.00 175.10 175.17 3ktj s MET 120 N -0.44 0.50 -0.03 2.72 1.75 -1.10 0.12 119.30 122.82 3ktj s MET 120 Ca 0.07 -0.06 0.04 0.00 -1.25 0.00 0.00 55.69 54.49 3ktj s MET 120 Cb -0.07 -0.56 -0.00 0.00 2.84 0.00 0.00 34.83 37.04 3ktj s MET 120 CO -0.01 -0.04 -0.16 0.96 -0.65 0.00 0.00 175.02 175.13 3ktj s ILE 121 N 0.60 1.29 0.31 10.11 -4.36 -0.01 -0.02 121.20 129.12 3ktj s ILE 121 Ca -0.07 -0.65 -0.14 0.00 -0.26 0.00 0.00 60.65 59.53 3ktj s ILE 121 Cb -0.10 -1.10 0.02 0.00 1.25 0.00 0.00 42.46 42.53 3ktj s ILE 121 CO -0.01 0.37 0.63 -1.38 0.24 0.00 0.00 174.94 174.80 3ktj s HIS 122 N -0.03 0.27 0.44 1.37 -3.43 -1.26 -2.55 115.29 110.09 3ktj s HIS 122 Ca -0.01 -0.73 -0.18 0.00 -0.80 0.00 0.00 55.06 53.33 3ktj s HIS 122 Cb -0.10 0.47 -0.10 0.00 -1.43 0.00 0.00 32.58 31.42 3ktj s HIS 122 CO 0.01 -1.25 0.92 1.14 -2.00 0.00 0.00 174.74 173.56 3ktj s GLN 123 N -3.32 4.10 0.95 -0.38 -2.07 -0.95 -4.96 119.66 113.03 3ktj s GLN 123 Ca 0.19 0.98 -0.12 0.00 -1.82 0.00 0.00 55.36 54.59 3ktj s GLN 123 Cb -0.03 -2.21 0.10 0.00 -1.09 0.00 0.00 33.01 29.77 3ktj s GLN 123 CO 0.11 -0.07 0.75 -2.30 -1.32 0.00 0.00 175.29 172.47 3ktj n PRO 124 N -0.88 -0.46 -4.28 9.60 -0.02 -1.26 -5.07 135.00 132.63 3ktj n PRO 124 Ca 0.06 -0.08 -0.21 0.00 -2.02 0.00 0.00 63.50 61.25 3ktj n PRO 124 Cb 0.54 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 3ktj n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ktj s LEU 125 N -3.77 2.37 0.00 2.45 1.43 -1.26 -5.13 118.68 114.78 3ktj s LEU 125 Ca 0.62 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3ktj s LEU 125 Cb -0.22 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.25 3ktj s LEU 125 CO 0.63 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.79 3ktj n GLY 126 N 0.69 0.87 3.48 -3.19 0.00 -1.26 -5.11 105.19 100.67 3ktj n GLY 126 Ca -0.16 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3ktj n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ktj s GLY 127 N -1.15 -0.54 -0.01 -0.02 0.00 -1.26 -5.17 107.32 99.18 3ktj s GLY 127 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 44.72 45.70 3ktj s GLY 127 CO 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 173.10 173.53 3ktj s ALA 128 N -2.73 0.41 -0.19 3.20 0.00 -1.26 -5.03 121.76 116.16 3ktj s ALA 128 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 3ktj s ALA 128 Cb -0.01 -0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.07 3ktj s ALA 128 CO -0.05 0.08 0.29 -1.14 0.00 0.00 0.00 175.76 174.94 3ktj s GLN 129 N 0.02 0.22 0.00 0.00 2.00 -1.26 -5.02 119.66 115.62 3ktj s GLN 129 Ca 0.00 0.55 0.00 0.00 -2.00 0.00 0.00 55.36 53.91 3ktj s GLN 129 Cb -0.03 -0.49 0.00 0.00 0.80 0.00 0.00 33.01 33.29 3ktj s GLN 129 CO -0.00 -0.49 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 3ktj n GLY 130 N 5.35 0.06 3.80 2.59 0.00 -1.26 -4.93 105.19 110.79 3ktj n GLY 130 Ca -0.05 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 3ktj n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktj s GLN 131 N -2.00 3.50 0.38 1.61 -0.21 -1.26 -4.83 119.66 116.85 3ktj s GLN 131 Ca 0.00 1.31 0.16 0.00 0.02 0.00 0.00 55.36 56.85 3ktj s GLN 131 Cb 0.00 -2.05 1.04 0.00 1.00 0.00 0.00 33.01 33.00 3ktj s GLN 131 CO 0.00 -0.67 1.77 0.00 -2.12 0.00 0.00 175.29 174.27 3ktj h ALA 132 N 0.95 2.12 -0.71 6.09 0.00 -1.99 0.24 119.26 125.95 3ktj h ALA 132 Ca -0.48 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3ktj h ALA 132 Cb 1.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3ktj h ALA 132 CO 0.58 -0.52 0.33 1.15 0.00 0.00 0.00 179.25 180.79 3ktj h THR 133 N 0.46 1.23 0.00 0.00 2.02 -1.99 -2.12 112.91 112.50 3ktj h THR 133 Ca 0.59 -0.67 -0.16 0.00 0.77 0.00 0.00 66.41 66.94 3ktj h THR 133 Cb 1.38 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3ktj h THR 133 CO -0.32 0.28 -0.76 -0.33 0.37 0.00 0.00 175.52 174.76 3ktj h GLU 134 N 1.02 0.00 -0.14 6.66 5.08 -0.92 -1.94 114.58 124.34 3ktj h GLU 134 Ca 0.25 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 3ktj h GLU 134 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ktj h GLU 134 CO -0.03 0.76 -0.67 0.82 -1.00 0.00 0.00 179.01 178.89 3ktj h ILE 135 N 0.00 1.33 -0.30 3.13 2.04 -1.22 -2.73 117.51 119.75 3ktj h ILE 135 Ca -0.01 -1.97 -0.10 0.00 1.00 0.00 0.00 64.86 63.78 3ktj h ILE 135 Cb 1.57 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 3ktj h ILE 135 CO 0.10 0.61 -0.21 -0.08 0.00 0.00 0.00 178.15 178.57 3ktj h GLU 136 N 0.40 0.68 -0.87 2.37 4.81 -1.36 -0.93 114.58 119.67 3ktj h GLU 136 Ca -0.02 -0.32 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 3ktj h GLU 136 Cb 1.25 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 3ktj h GLU 136 CO 0.13 0.93 0.56 0.82 -0.73 0.00 0.00 179.01 180.72 3ktj h ILE 137 N 0.43 1.05 0.14 2.32 2.04 -1.31 -2.24 117.51 119.94 3ktj h ILE 137 Ca 0.06 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3ktj h ILE 137 Cb 0.76 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3ktj h ILE 137 CO 0.06 0.17 -0.07 0.00 0.00 0.00 0.00 178.15 178.32 3ktj h ALA 138 N 1.53 -0.18 -1.10 1.87 0.00 -1.34 -2.92 119.26 117.12 3ktj h ALA 138 Ca 0.38 -0.24 0.31 0.00 0.00 0.00 0.00 54.91 55.36 3ktj h ALA 138 Cb 0.23 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 3ktj h ALA 138 CO -0.14 -0.27 0.69 0.00 0.00 0.00 0.00 179.25 179.53 3ktj h ALA 139 N -0.26 2.27 -0.16 0.00 0.00 -1.03 0.29 119.26 120.36 3ktj h ALA 139 Ca -0.02 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3ktj h ALA 139 Cb 0.54 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ktj h ALA 139 CO 0.03 -0.77 -0.60 0.87 0.00 0.00 0.00 179.25 178.78 3ktj h LYS 140 N 0.32 0.54 -0.11 0.00 1.57 -1.42 -2.36 116.57 115.11 3ktj h LYS 140 Ca 0.68 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3ktj h LYS 140 Cb 1.77 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.13 3ktj h LYS 140 CO -0.39 0.98 0.00 -0.09 -0.57 0.00 0.00 179.45 179.38 3ktj h ARG 141 N 0.41 0.20 -0.38 3.15 2.43 -0.24 -1.78 114.38 118.16 3ktj h ARG 141 Ca -0.00 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3ktj h ARG 141 Cb 1.16 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3ktj h ARG 141 CO 0.11 0.44 -0.25 0.97 -1.51 0.00 0.00 179.97 179.73 3ktj h ILE 142 N -0.07 1.28 0.00 1.20 2.10 -1.51 -1.49 117.51 119.02 3ktj h ILE 142 Ca 0.03 -1.41 -0.04 0.00 1.08 0.00 0.00 64.86 64.53 3ktj h ILE 142 Cb 0.35 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 3ktj h ILE 142 CO 0.01 0.47 -0.18 -0.07 -1.08 0.00 0.00 178.15 177.29 3ktj h LEU 143 N 0.66 0.00 -0.04 2.19 3.38 -1.43 0.99 115.31 121.05 3ktj h LEU 143 Ca 0.08 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 3ktj h LEU 143 Cb 0.82 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.59 3ktj h LEU 143 CO 0.07 0.18 -0.85 -0.07 0.09 0.00 0.00 178.44 177.86 3ktj h LEU 144 N 0.00 0.83 -1.02 1.67 3.38 -0.98 -2.95 115.31 116.24 3ktj h LEU 144 Ca -0.00 -0.71 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 3ktj h LEU 144 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3ktj h LEU 144 CO 0.02 1.42 -0.46 -0.07 0.09 0.00 0.00 178.44 179.44 3ktj h LEU 145 N 0.31 0.00 -1.20 1.67 3.38 -0.67 -1.31 115.31 117.49 3ktj h LEU 145 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3ktj h LEU 145 Cb 1.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 3ktj h LEU 145 CO 0.17 0.46 0.26 -0.09 0.09 0.00 0.00 178.44 179.33 3ktj h ARG 146 N 0.00 0.82 0.08 1.13 1.12 -0.81 -2.44 114.38 114.29 3ktj h ARG 146 Ca -0.00 -0.11 -0.26 0.00 -1.11 0.00 0.00 59.98 58.49 3ktj h ARG 146 Cb 0.87 -0.15 0.01 0.00 -0.01 0.00 0.00 29.97 30.69 3ktj h ARG 146 CO 0.06 0.65 -1.14 -0.44 -3.11 0.00 0.00 179.97 175.99 3ktj h ASP 147 N 0.81 0.54 -0.03 -3.80 5.19 -1.21 -2.87 116.42 115.06 3ktj h ASP 147 Ca 0.20 -0.51 -0.11 0.00 -0.62 0.00 0.00 57.03 55.99 3ktj h ASP 147 Cb 0.12 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3ktj h ASP 147 CO -0.02 1.35 -0.32 0.50 -3.12 0.00 0.00 179.24 177.62 3ktj h LYS 148 N 0.16 0.50 -0.05 3.56 3.64 -1.00 -2.52 116.57 120.86 3ktj h LYS 148 Ca -0.12 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 58.91 3ktj h LYS 148 Cb 1.82 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.63 3ktj h LYS 148 CO 0.20 0.76 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.61 3ktj h LEU 149 N 0.43 0.49 -2.21 5.20 3.38 -1.54 -3.11 115.31 117.95 3ktj h LEU 149 Ca 0.05 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 3ktj h LEU 149 Cb 0.78 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3ktj h LEU 149 CO 0.06 1.11 -0.05 0.78 0.09 0.00 0.00 178.44 180.43 3ktj h ASN 150 N -0.09 0.00 -0.09 -0.43 4.21 -1.49 -0.84 115.58 116.86 3ktj h ASN 150 Ca -0.04 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.24 3ktj h ASN 150 Cb 1.14 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.35 3ktj h ASN 150 CO 0.09 0.05 -0.85 0.11 -1.29 0.00 0.00 177.43 175.54 3ktj h LYS 151 N 0.00 0.73 -0.02 0.81 1.57 -1.43 -0.90 116.57 117.33 3ktj h LYS 151 Ca -0.00 -0.67 -0.12 0.00 -1.87 0.00 0.00 60.65 57.99 3ktj h LYS 151 Cb 0.12 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3ktj h LYS 151 CO 0.01 1.27 -0.55 0.28 -0.57 0.00 0.00 179.45 179.89 3ktj h VAL 152 N 0.44 1.39 -0.09 0.50 2.07 -1.32 -2.83 116.25 116.41 3ktj h VAL 152 Ca -0.08 -1.87 -0.17 0.00 0.82 0.00 0.00 66.70 65.40 3ktj h VAL 152 Cb 1.49 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 3ktj h VAL 152 CO 0.17 0.54 -0.66 -0.07 0.02 0.00 0.00 177.57 177.57 3ktj h LEU 153 N 0.05 0.41 -0.06 2.57 3.38 -1.15 -2.48 115.31 118.03 3ktj h LEU 153 Ca -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ktj h LEU 153 Cb 0.98 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ktj h LEU 153 CO 0.07 0.96 0.03 0.00 0.09 0.00 0.00 178.44 179.59 3ktj h ALA 154 N 1.04 0.08 -0.55 1.53 0.00 -0.92 -1.20 119.26 119.23 3ktj h ALA 154 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ktj h ALA 154 Cb 1.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3ktj h ALA 154 CO 0.11 -0.39 0.36 0.93 0.00 0.00 0.00 179.25 180.27 3ktj h GLU 155 N 0.01 0.73 0.00 0.00 5.08 -1.51 0.17 114.58 119.06 3ktj h GLU 155 Ca 0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3ktj h GLU 155 Cb 0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3ktj h GLU 155 CO -0.00 0.49 -0.32 0.00 -1.00 0.00 0.00 179.01 178.17 3ktj h ARG 156 N 0.75 0.00 0.00 2.33 2.47 -1.36 -3.34 114.38 115.22 3ktj h ARG 156 Ca 0.20 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.69 3ktj h ARG 156 Cb -0.08 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 3ktj h ARG 156 CO -0.04 0.32 -2.02 0.25 0.56 0.00 0.00 179.97 179.03 3ktj n THR 157 N -3.32 0.85 -0.02 2.04 -2.24 -0.46 -4.76 114.28 106.37 3ktj n THR 157 Ca 0.01 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3ktj n THR 157 Cb 0.55 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3ktj n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktj n GLY 158 N 1.91 0.52 3.83 3.38 0.00 0.04 -4.37 105.19 110.50 3ktj n GLY 158 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3ktj n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktj s GLN 159 N -0.83 4.16 0.51 1.61 -1.52 -1.21 -5.01 119.66 117.36 3ktj s GLN 159 Ca 0.00 0.88 -0.13 0.00 -1.95 0.00 0.00 55.36 54.16 3ktj s GLN 159 Cb 0.00 -2.48 -0.06 0.00 -0.22 0.00 0.00 33.01 30.25 3ktj s GLN 159 CO 0.00 0.16 0.93 -1.25 -0.25 0.00 0.00 175.29 174.88 3ktj s PRO 160 N -2.77 3.79 0.18 2.91 0.04 -1.26 -4.31 135.00 133.58 3ktj s PRO 160 Ca 0.54 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 3ktj s PRO 160 Cb -0.12 -2.21 0.13 0.00 0.04 0.00 0.00 34.50 32.35 3ktj s PRO 160 CO 0.17 -0.27 1.66 1.25 0.04 0.00 0.00 177.00 179.85 3ktj h LEU 161 N 0.66 -0.43 -1.97 -3.56 5.85 -1.94 0.60 115.31 114.53 3ktj h LEU 161 Ca -0.46 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3ktj h LEU 161 Cb 1.19 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 3ktj h LEU 161 CO 0.62 -0.15 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.41 3ktj h GLU 162 N 0.00 0.00 0.07 1.25 4.81 -1.96 0.07 114.58 118.82 3ktj h GLU 162 Ca 0.22 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 3ktj h GLU 162 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.72 3ktj h GLU 162 CO -0.48 0.08 -0.50 0.28 -0.73 0.00 0.00 179.01 177.67 3ktj h VAL 163 N 0.00 1.58 -0.80 0.32 2.07 -1.70 -2.33 116.25 115.40 3ktj h VAL 163 Ca -0.00 -2.42 0.17 0.00 0.82 0.00 0.00 66.70 65.27 3ktj h VAL 163 Cb 0.15 3.21 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 3ktj h VAL 163 CO 0.01 0.64 0.53 0.40 0.02 0.00 0.00 177.57 179.18 3ktj h ILE 164 N -0.70 0.75 0.46 4.57 1.08 -0.59 0.10 117.51 123.18 3ktj h ILE 164 Ca -0.10 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 3ktj h ILE 164 Cb 1.33 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 3ktj h ILE 164 CO 0.06 0.07 -0.22 -0.08 -0.69 0.00 0.00 178.15 177.29 3ktj h GLU 165 N 0.38 -0.59 -0.64 2.37 4.81 -1.00 -2.83 114.58 117.09 3ktj h GLU 165 Ca 0.40 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.72 3ktj h GLU 165 Cb 0.98 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 3ktj h GLU 165 CO -0.13 -0.39 0.42 -0.09 -0.73 0.00 0.00 179.01 178.09 3ktj h ARG 166 N -1.08 0.68 0.00 1.92 2.43 -1.05 -1.77 114.38 115.51 3ktj h ARG 166 Ca -0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3ktj h ARG 166 Cb 0.47 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3ktj h ARG 166 CO 0.10 0.45 0.00 -0.44 -1.51 0.00 0.00 179.97 178.57 3ktj h ASP 167 N 0.70 0.00 -0.13 -3.80 5.19 -0.87 -3.02 116.42 114.49 3ktj h ASP 167 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3ktj h ASP 167 Cb 0.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3ktj h ASP 167 CO -0.08 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.39 3ktj n THR 168 N -2.80 0.42 -0.38 0.35 -2.24 -0.71 -4.62 114.28 104.31 3ktj n THR 168 Ca 0.01 -0.71 0.32 0.00 -2.27 0.00 0.00 64.05 61.40 3ktj n THR 168 Cb 0.27 0.90 0.63 0.00 -2.10 0.00 0.00 70.33 70.03 3ktj n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3ktj h ASP 169 N 1.73 0.24 -5.40 3.42 1.82 -1.32 -2.52 116.42 114.39 3ktj h ASP 169 Ca 0.00 0.07 -0.23 0.00 -0.39 0.00 0.00 57.03 56.48 3ktj h ASP 169 Cb 0.51 0.04 -0.15 0.00 0.68 0.00 0.00 39.33 40.41 3ktj h ASP 169 CO 0.00 -0.01 -0.63 -0.13 -1.61 0.00 0.00 179.24 176.86 3ktj s ARG 170 N -5.25 1.12 -0.20 0.28 0.52 -1.26 -4.75 118.95 109.41 3ktj s ARG 170 Ca -0.07 -1.57 -0.38 0.00 -0.52 0.00 0.00 55.73 53.19 3ktj s ARG 170 Cb 0.26 0.20 -0.14 0.00 0.52 0.00 0.00 34.95 35.78 3ktj s ARG 170 CO 0.81 -0.33 1.78 -0.25 0.02 0.00 0.00 175.30 177.34 3ktj n ASP 171 N -0.22 2.75 -3.98 0.23 9.92 -1.26 -4.72 116.55 119.26 3ktj n ASP 171 Ca -0.01 1.04 -0.31 0.00 -0.53 0.00 0.00 54.79 54.98 3ktj n ASP 171 Cb 0.65 -1.23 -0.15 0.00 -0.64 0.00 0.00 41.12 39.75 3ktj n ASP 171 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3ktj s ASN 172 N 3.62 3.96 -0.20 -2.24 3.04 -1.06 -5.02 114.94 117.03 3ktj s ASN 172 Ca 0.96 -1.20 -0.09 0.00 0.04 0.00 0.00 52.86 52.56 3ktj s ASN 172 Cb -0.93 -1.29 -0.05 0.00 -1.54 0.00 0.00 41.25 37.44 3ktj s ASN 172 CO 0.60 -0.21 0.12 -0.36 -3.04 0.00 0.00 177.10 174.21 3ktj s PHE 173 N 1.31 3.35 0.08 0.43 0.08 -1.26 -0.83 117.98 121.14 3ktj s PHE 173 Ca -0.06 0.24 0.07 0.00 0.12 0.00 0.00 56.93 57.30 3ktj s PHE 173 Cb -0.19 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 3ktj s PHE 173 CO -0.06 0.21 -0.18 0.15 -0.10 0.00 0.00 175.22 175.24 3ktj s LYS 174 N 0.49 1.08 0.99 0.44 1.02 0.32 -4.99 119.74 119.08 3ktj s LYS 174 Ca 0.07 -1.02 -0.16 0.00 0.02 0.00 0.00 55.97 54.87 3ktj s LYS 174 Cb -0.12 -1.22 0.22 0.00 -0.52 0.00 0.00 37.83 36.19 3ktj s LYS 174 CO -0.00 0.29 1.34 -1.54 -0.92 0.00 0.00 175.35 174.52 3ktj s SER 175 N -1.64 2.85 0.29 2.83 1.04 -1.26 -0.74 113.70 117.07 3ktj s SER 175 Ca 0.04 0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.65 3ktj s SER 175 Cb -0.09 -0.07 0.42 0.00 0.10 0.00 0.00 66.02 66.38 3ktj s SER 175 CO 0.03 -2.89 1.67 0.00 0.98 0.00 0.00 173.24 173.04 3ktj h ALA 176 N -1.73 1.06 -0.18 5.32 0.00 -1.77 0.26 119.26 122.23 3ktj h ALA 176 Ca -0.44 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 53.83 3ktj h ALA 176 Cb 1.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ktj h ALA 176 CO 0.32 0.62 -0.71 0.93 0.00 0.00 0.00 179.25 180.41 3ktj h GLU 177 N 0.18 0.75 -0.00 0.00 3.07 -1.92 -2.00 114.58 114.66 3ktj h GLU 177 Ca 0.01 -0.57 -0.14 0.00 -0.50 0.00 0.00 59.36 58.16 3ktj h GLU 177 Cb 0.88 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 3ktj h GLU 177 CO 0.07 1.19 -0.68 0.93 -1.40 0.00 0.00 179.01 179.12 3ktj h GLU 178 N 0.53 0.01 -0.38 2.33 5.08 -1.85 -2.38 114.58 117.92 3ktj h GLU 178 Ca -0.03 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 3ktj h GLU 178 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3ktj h GLU 178 CO 0.14 0.68 -0.37 0.00 -1.00 0.00 0.00 179.01 178.47 3ktj h ALA 179 N 1.32 0.55 -0.59 3.43 0.00 -0.92 -2.36 119.26 120.69 3ktj h ALA 179 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3ktj h ALA 179 Cb 1.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3ktj h ALA 179 CO 0.09 0.65 0.33 1.25 0.00 0.00 0.00 179.25 181.56 3ktj h LEU 180 N 0.73 0.74 -1.41 0.00 5.85 -1.22 -1.81 115.31 118.20 3ktj h LEU 180 Ca 0.06 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3ktj h LEU 180 Cb 0.96 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3ktj h LEU 180 CO 0.09 0.62 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.26 3ktj h GLU 181 N 0.80 0.00 0.11 1.25 5.08 -1.36 -2.98 114.58 117.48 3ktj h GLU 181 Ca 0.21 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.30 3ktj h GLU 181 Cb 0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 3ktj h GLU 181 CO -0.03 0.22 -1.19 -0.92 -1.00 0.00 0.00 179.01 176.09 3ktj h TYR 182 N 0.00 0.59 0.00 4.33 3.20 -1.06 -3.48 116.97 120.55 3ktj h TYR 182 Ca -0.00 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3ktj h TYR 182 Cb 0.61 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3ktj h TYR 182 CO 0.00 1.28 0.00 0.41 -1.64 0.00 0.00 178.16 178.21 3ktj n GLY 183 N 1.39 1.60 0.15 1.82 0.00 -0.84 -4.61 105.19 104.69 3ktj n GLY 183 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3ktj n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ktj h LEU 184 N 0.00 0.84 -9.75 0.99 3.38 -1.59 -3.35 115.31 105.83 3ktj h LEU 184 Ca 0.00 -0.92 -0.62 0.00 0.09 0.00 0.00 57.88 56.43 3ktj h LEU 184 Cb 0.00 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 40.35 3ktj h LEU 184 CO 0.00 1.71 -0.54 0.27 0.09 0.00 0.00 178.44 179.97 3ktj s ILE 185 N -2.59 1.16 -0.14 1.22 -4.36 -1.25 -4.02 121.20 111.22 3ktj s ILE 185 Ca -0.09 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.28 3ktj s ILE 185 Cb 0.04 -2.40 -0.08 0.00 1.25 0.00 0.00 42.46 41.27 3ktj s ILE 185 CO 0.94 0.00 -0.14 0.47 0.24 0.00 0.00 174.94 176.45 3ktj n ASP 186 N -1.18 2.26 -3.87 4.36 8.00 0.13 -4.68 116.55 121.58 3ktj n ASP 186 Ca -0.12 0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 3ktj n ASP 186 Cb 0.66 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 3ktj n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ktj s LYS 187 N -2.26 0.29 -0.42 -1.24 2.20 -1.10 -5.05 119.74 112.16 3ktj s LYS 187 Ca -0.19 -0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.12 3ktj s LYS 187 Cb 0.06 0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.53 3ktj s LYS 187 CO 0.29 -0.06 0.34 0.42 -0.36 0.00 0.00 175.35 175.98 3ktj s ILE 188 N -0.69 5.22 0.23 5.43 1.01 -1.26 -3.00 121.20 128.14 3ktj s ILE 188 Ca -0.08 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 3ktj s ILE 188 Cb -0.05 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3ktj s ILE 188 CO 0.01 -0.37 1.34 -0.76 0.00 0.00 0.00 174.94 175.15 3ktj s LEU 189 N 1.78 4.41 0.00 2.97 1.43 -1.12 -4.94 118.68 123.22 3ktj s LEU 189 Ca 0.06 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3ktj s LEU 189 Cb -0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3ktj s LEU 189 CO 0.10 -0.56 0.00 0.35 0.23 0.00 0.00 176.35 176.47 3ktj n THR 190 N 2.29 0.00 -0.87 5.49 -2.24 -1.26 -3.75 114.28 113.95 3ktj n THR 190 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3ktj n THR 190 Cb 0.42 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3ktj n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50