#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksg s THR 3 N 0.00 5.11 -0.71 4.28 2.01 -1.26 -4.99 115.64 120.09 3ksg s THR 3 Ca 0.00 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 3ksg s THR 3 Cb 0.00 -3.84 -0.14 0.00 0.01 0.00 0.00 72.50 68.53 3ksg s THR 3 CO 0.00 -0.06 2.53 -0.38 -0.69 0.00 0.00 174.62 176.02 3ksg n ILE 4 N 5.27 -0.03 -2.29 1.82 5.41 -1.26 -4.87 119.36 123.41 3ksg n ILE 4 Ca -0.07 -0.42 -0.43 0.00 1.00 0.00 0.00 62.75 62.83 3ksg n ILE 4 Cb 0.50 -1.72 -0.02 0.00 -0.71 0.00 0.00 39.64 37.68 3ksg n ILE 4 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3ksg s ASN 5 N 10.53 6.80 0.61 4.38 0.01 -1.26 -4.96 114.94 131.05 3ksg s ASN 5 Ca 1.16 1.79 -0.18 0.00 -0.71 0.00 0.00 52.86 54.92 3ksg s ASN 5 Cb -0.70 -2.54 -0.14 0.00 0.41 0.00 0.00 41.25 38.29 3ksg s ASN 5 CO 0.38 -0.87 -0.13 -2.65 -1.51 0.00 0.00 177.10 172.32 3ksg n PRO 6 N 6.89 0.07 -4.35 -0.60 -0.02 -1.26 -4.56 135.00 131.17 3ksg n PRO 6 Ca 0.15 0.03 -0.34 0.00 -2.02 0.00 0.00 63.50 61.32 3ksg n PRO 6 Cb 0.44 -1.13 -0.14 0.00 -0.02 0.00 0.00 33.50 32.65 3ksg n PRO 6 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ksg s THR 7 N -1.97 3.08 -1.46 3.45 -4.23 -1.26 -4.95 115.64 108.30 3ksg s THR 7 Ca 0.56 -0.62 -0.14 0.00 -1.18 0.00 0.00 61.69 60.31 3ksg s THR 7 Cb -0.43 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.10 3ksg s THR 7 CO 0.67 0.49 2.27 -3.20 -0.54 0.00 0.00 174.62 174.31 3ksg n ASN 8 N 4.15 4.14 -0.44 3.99 4.05 -1.26 -4.78 115.26 125.10 3ksg n ASN 8 Ca -0.18 -2.82 0.38 0.00 0.45 0.00 0.00 54.58 52.40 3ksg n ASN 8 Cb 0.52 -1.65 0.64 0.00 1.23 0.00 0.00 39.78 40.52 3ksg n ASN 8 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 3ksg n TYR 9 N 5.97 0.68 0.09 1.20 4.01 -1.26 -0.15 117.16 127.70 3ksg n TYR 9 Ca 0.54 0.69 -0.13 0.00 -0.16 0.00 0.00 57.90 58.83 3ksg n TYR 9 Cb 0.38 -1.12 -0.06 0.00 -0.31 0.00 0.00 39.34 38.23 3ksg n TYR 9 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ksg h THR 10 N 0.00 0.24 -0.57 -0.72 2.02 -2.00 0.28 112.91 112.16 3ksg h THR 10 Ca 0.83 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.98 3ksg h THR 10 Cb 2.67 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 3ksg h THR 10 CO -0.45 0.00 0.24 0.25 0.37 0.00 0.00 175.52 175.93 3ksg h LEU 11 N -0.55 0.78 -0.37 2.58 5.85 -0.95 -2.69 115.31 119.96 3ksg h LEU 11 Ca 0.04 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3ksg h LEU 11 Cb 0.61 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3ksg h LEU 11 CO -0.25 0.73 -0.02 0.25 -0.34 0.00 0.00 178.44 178.81 3ksg h LEU 12 N 0.78 -0.19 -1.66 2.25 7.12 -0.38 0.80 115.31 124.04 3ksg h LEU 12 Ca 0.19 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 3ksg h LEU 12 Cb 0.19 0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 3ksg h LEU 12 CO -0.02 -0.06 -0.19 0.11 -0.13 0.00 0.00 178.44 178.15 3ksg h LYS 13 N 0.08 0.00 -0.00 1.25 1.57 -0.38 0.27 116.57 119.35 3ksg h LYS 13 Ca 0.18 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.79 3ksg h LYS 13 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.58 3ksg h LYS 13 CO -0.32 0.19 -0.67 -0.22 -0.57 0.00 0.00 179.45 177.87 3ksg h LYS 14 N 0.00 0.45 -0.36 3.15 1.63 -0.53 -2.32 116.57 118.61 3ksg h LYS 14 Ca -0.00 -0.49 -0.09 0.00 -0.85 0.00 0.00 60.65 59.21 3ksg h LYS 14 Cb 0.43 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3ksg h LYS 14 CO 0.03 1.14 -0.17 1.96 -3.45 0.00 0.00 179.45 178.95 3ksg h GLN 15 N -0.03 0.66 0.18 1.90 4.20 0.93 -2.29 115.11 120.67 3ksg h GLN 15 Ca -0.08 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 3ksg h GLN 15 Cb 1.37 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.11 3ksg h GLN 15 CO 0.13 0.79 -0.09 0.00 -0.67 0.00 0.00 178.83 179.00 3ksg h ALA 16 N 1.22 -0.25 -0.30 3.87 0.00 -0.48 -0.89 119.26 122.44 3ksg h ALA 16 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ksg h ALA 16 Cb 0.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ksg h ALA 16 CO 0.04 -0.51 0.17 0.00 0.00 0.00 0.00 179.25 178.95 3ksg h ALA 17 N 0.27 0.38 -0.35 0.00 0.00 -1.41 -2.25 119.26 115.90 3ksg h ALA 17 Ca -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ksg h ALA 17 Cb 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3ksg h ALA 17 CO 0.04 -0.11 0.13 1.03 0.00 0.00 0.00 179.25 180.34 3ksg h SER 18 N 0.37 0.16 -0.94 0.00 0.87 -1.44 -2.07 113.55 110.50 3ksg h SER 18 Ca 0.11 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.81 3ksg h SER 18 Cb 0.03 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 61.92 3ksg h SER 18 CO -0.02 0.13 0.57 0.25 -0.53 0.00 0.00 176.83 177.23 3ksg h LEU 19 N 0.28 0.83 -3.04 2.23 5.85 -0.69 -2.97 115.31 117.80 3ksg h LEU 19 Ca 0.15 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3ksg h LEU 19 Cb 0.12 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3ksg h LEU 19 CO -0.15 0.45 0.00 2.30 -0.34 0.00 0.00 178.44 180.70 3ksg n ILE 20 N -4.67 1.56 -1.84 4.05 -5.35 -0.89 -4.97 119.36 107.25 3ksg n ILE 20 Ca 0.17 -1.29 -0.40 0.00 -0.27 0.00 0.00 62.75 60.96 3ksg n ILE 20 Cb 0.33 0.20 0.01 0.00 -1.74 0.00 0.00 39.64 38.43 3ksg n ILE 20 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3ksg s GLU 21 N -1.70 3.93 0.00 6.28 2.12 -0.80 -2.16 118.70 126.37 3ksg s GLU 21 Ca 0.36 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.15 3ksg s GLU 21 Cb 0.24 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.80 3ksg s GLU 21 CO 0.17 -0.63 0.00 -0.25 -0.54 0.00 0.00 175.26 174.01 3ksg n ASP 22 N 0.18 -0.78 -4.72 -1.70 9.92 -1.26 -4.98 116.55 113.21 3ksg n ASP 22 Ca 0.03 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.94 3ksg n ASP 22 Cb 0.41 -1.43 -0.09 0.00 -0.64 0.00 0.00 41.12 39.37 3ksg n ASP 22 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3ksg s GLU 23 N -0.61 3.06 0.00 -1.24 0.41 -0.92 -4.98 118.70 114.42 3ksg s GLU 23 Ca 0.00 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 3ksg s GLU 23 Cb 0.00 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 3ksg s GLU 23 CO 0.00 0.71 0.14 0.72 -0.49 0.00 0.00 175.26 176.34 3ksg n HIS 24 N 2.07 0.00 -2.61 1.61 8.25 -1.26 -4.81 115.22 118.46 3ksg n HIS 24 Ca -0.19 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.84 3ksg n HIS 24 Cb 0.54 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 3ksg n HIS 24 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ksg s HIS 25 N -0.18 2.91 0.16 4.41 5.04 -1.26 -4.82 115.29 121.56 3ksg s HIS 25 Ca 0.00 0.86 -0.23 0.00 -1.54 0.00 0.00 55.06 54.15 3ksg s HIS 25 Cb 0.00 -4.22 0.05 0.00 0.04 0.00 0.00 32.58 28.45 3ksg s HIS 25 CO 0.00 -1.12 1.60 1.98 -2.34 0.00 0.00 174.74 174.86 3ksg h MET 26 N 8.89 -0.26 -0.78 2.88 4.05 -1.95 -2.31 114.93 125.45 3ksg h MET 26 Ca -0.22 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.24 3ksg h MET 26 Cb 1.06 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.87 3ksg h MET 26 CO 1.10 -0.17 0.50 0.82 0.23 0.00 0.00 176.91 179.39 3ksg h ILE 27 N -0.27 1.15 0.06 1.77 1.08 -1.98 0.15 117.51 119.47 3ksg h ILE 27 Ca 0.16 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3ksg h ILE 27 Cb 0.53 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 3ksg h ILE 27 CO -0.51 0.18 -0.03 0.00 -0.69 0.00 0.00 178.15 177.11 3ksg h ALA 28 N 1.31 -0.08 -0.29 1.87 0.00 -1.94 0.13 119.26 120.26 3ksg h ALA 28 Ca 0.30 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3ksg h ALA 28 Cb -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3ksg h ALA 28 CO -0.09 -0.50 -0.02 0.82 0.00 0.00 0.00 179.25 179.46 3ksg h ILE 29 N -0.18 0.77 -0.26 0.00 2.04 -0.99 -0.43 117.51 118.46 3ksg h ILE 29 Ca -0.01 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3ksg h ILE 29 Cb 0.15 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3ksg h ILE 29 CO 0.01 0.01 0.16 -0.07 0.00 0.00 0.00 178.15 178.26 3ksg h LEU 30 N 0.06 0.31 0.40 1.44 4.07 -0.53 -0.42 115.31 120.64 3ksg h LEU 30 Ca 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3ksg h LEU 30 Cb 0.19 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 3ksg h LEU 30 CO -0.25 0.26 -0.38 0.28 -1.08 0.00 0.00 178.44 177.27 3ksg h SER 31 N 0.33 -1.03 -0.44 -0.43 0.02 -0.25 0.06 113.55 111.81 3ksg h SER 31 Ca 0.09 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3ksg h SER 31 Cb 0.01 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3ksg h SER 31 CO -0.02 -0.53 0.28 0.78 -1.14 0.00 0.00 176.83 176.19 3ksg h ASN 32 N -0.80 0.53 -0.28 3.07 2.35 -1.04 -2.43 115.58 116.98 3ksg h ASN 32 Ca -0.03 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 3ksg h ASN 32 Cb 0.71 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 3ksg h ASN 32 CO -0.05 0.41 -0.09 0.24 -1.65 0.00 0.00 177.43 176.29 3ksg h MET 33 N 0.62 0.56 -0.87 0.81 2.86 -0.71 0.35 114.93 118.56 3ksg h MET 33 Ca 0.16 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3ksg h MET 33 Cb -0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 3ksg h MET 33 CO -0.03 0.77 0.57 0.66 1.06 0.00 0.00 176.91 179.94 3ksg h SER 34 N 0.31 0.90 -0.15 1.22 4.64 -0.62 0.14 113.55 119.99 3ksg h SER 34 Ca 0.07 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3ksg h SER 34 Cb 0.58 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ksg h SER 34 CO 0.03 0.60 -0.03 0.00 -0.87 0.00 0.00 176.83 176.56 3ksg h ALA 35 N 1.51 0.20 0.05 5.18 0.00 -1.25 -0.81 119.26 124.14 3ksg h ALA 35 Ca 0.36 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ksg h ALA 35 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ksg h ALA 35 CO -0.12 -0.05 -0.20 1.25 0.00 0.00 0.00 179.25 180.14 3ksg h LEU 36 N -0.02 -0.57 -0.82 0.00 5.85 0.12 -0.32 115.31 119.54 3ksg h LEU 36 Ca 0.04 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3ksg h LEU 36 Cb 0.46 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3ksg h LEU 36 CO 0.01 -0.27 0.50 -0.07 -0.34 0.00 0.00 178.44 178.27 3ksg h LEU 37 N -0.34 0.78 -1.83 2.25 4.07 -0.77 -1.03 115.31 118.42 3ksg h LEU 37 Ca 0.04 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 3ksg h LEU 37 Cb 0.39 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 3ksg h LEU 37 CO -0.15 0.49 -0.12 -1.13 -1.08 0.00 0.00 178.44 176.45 3ksg h ASN 38 N 0.91 0.00 1.21 -0.43 -1.24 -0.33 -2.09 115.58 113.61 3ksg h ASN 38 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 3ksg h ASN 38 Cb 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3ksg h ASN 38 CO -0.18 0.12 -0.35 0.44 -1.29 0.00 0.00 177.43 176.17 3ksg h ASP 39 N 0.00 0.00 0.00 1.15 3.32 0.24 -3.36 116.42 117.76 3ksg h ASP 39 Ca -0.00 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3ksg h ASP 39 Cb 0.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3ksg h ASP 39 CO 0.02 0.05 -0.21 0.59 -1.72 0.00 0.00 179.24 177.96 3ksg n ASN 40 N -2.29 1.76 -3.81 6.45 3.02 -0.88 -4.97 115.26 114.54 3ksg n ASN 40 Ca 0.04 -2.97 -0.28 0.00 -0.03 0.00 0.00 54.58 51.34 3ksg n ASN 40 Cb 0.45 -0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 39.06 3ksg n ASN 40 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ksg s LEU 41 N -2.28 1.66 0.47 3.41 1.43 -0.84 -4.79 118.68 117.74 3ksg s LEU 41 Ca 0.27 -0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 3ksg s LEU 41 Cb 0.25 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.59 3ksg s LEU 41 CO 0.00 -0.27 0.90 -0.62 0.23 0.00 0.00 176.35 176.58 3ksg s ASP 42 N 1.69 6.57 -0.96 2.29 2.15 -1.26 -4.48 116.67 122.67 3ksg s ASP 42 Ca -0.02 1.39 -0.08 0.00 0.43 0.00 0.00 52.55 54.26 3ksg s ASP 42 Cb -0.17 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 3ksg s ASP 42 CO -0.07 -0.52 0.79 1.67 -0.17 0.00 0.00 175.17 176.87 3ksg n GLN 43 N -1.48 -1.62 -3.82 4.34 -0.06 -1.26 -4.94 117.38 108.54 3ksg n GLN 43 Ca 0.05 0.93 -0.09 0.00 -2.00 0.00 0.00 57.00 55.88 3ksg n GLN 43 Cb 0.54 -5.01 -0.06 0.00 -4.06 0.00 0.00 30.24 21.64 3ksg n GLN 43 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3ksg s ILE 44 N -3.26 0.11 0.00 1.69 -4.36 -1.26 -4.50 121.20 109.61 3ksg s ILE 44 Ca 0.29 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.63 3ksg s ILE 44 Cb -0.07 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.25 3ksg s ILE 44 CO 0.79 -0.49 0.47 -0.46 0.24 0.00 0.00 174.94 175.49 3ksg n ASN 45 N -0.14 0.79 -3.64 4.36 0.23 -0.29 -4.81 115.26 111.76 3ksg n ASN 45 Ca -0.14 -1.21 -0.06 0.00 -0.53 0.00 0.00 54.58 52.64 3ksg n ASN 45 Cb 0.63 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.26 3ksg n ASN 45 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3ksg s TRP 46 N -0.21 -0.54 -0.16 -2.53 -0.00 -1.24 -4.52 118.94 109.74 3ksg s TRP 46 Ca 0.00 1.20 -0.06 0.00 -0.00 0.00 0.00 56.10 57.24 3ksg s TRP 46 Cb 0.00 0.37 0.07 0.00 -0.00 0.00 0.00 33.47 33.92 3ksg s TRP 46 CO 0.00 -0.27 0.33 0.54 -0.00 0.00 0.00 176.95 177.56 3ksg s VAL 47 N 0.75 -0.50 0.00 5.86 0.11 -1.09 0.48 120.40 126.01 3ksg s VAL 47 Ca -0.02 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 3ksg s VAL 47 Cb -0.04 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3ksg s VAL 47 CO -0.10 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 3ksg n GLY 48 N 5.32 2.40 2.97 6.54 0.00 -0.01 -0.85 105.19 121.57 3ksg n GLY 48 Ca -0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3ksg n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksg s PHE 49 N -2.91 0.34 0.05 1.61 0.08 -0.63 -0.83 117.98 115.69 3ksg s PHE 49 Ca 0.00 -0.33 0.09 0.00 0.12 0.00 0.00 56.93 56.81 3ksg s PHE 49 Cb 0.00 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.20 3ksg s PHE 49 CO 0.00 -0.09 -0.24 0.71 -0.10 0.00 0.00 175.22 175.50 3ksg s TYR 50 N -0.88 2.40 -0.02 0.36 1.51 -0.94 0.94 117.35 120.72 3ksg s TYR 50 Ca -0.08 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 3ksg s TYR 50 Cb -0.06 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 3ksg s TYR 50 CO -0.00 0.19 -0.09 -0.51 -1.11 0.00 0.00 175.55 174.02 3ksg s LEU 51 N -1.38 3.05 -0.44 -1.29 1.43 0.11 -1.55 118.68 118.60 3ksg s LEU 51 Ca 0.13 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 3ksg s LEU 51 Cb -0.10 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3ksg s LEU 51 CO 0.03 0.31 0.98 -0.22 0.23 0.00 0.00 176.35 177.68 3ksg s LEU 52 N -1.14 3.92 -0.05 1.79 1.98 -0.52 -0.48 118.68 124.19 3ksg s LEU 52 Ca 0.15 0.33 -0.04 0.00 -2.89 0.00 0.00 54.13 51.68 3ksg s LEU 52 Cb -0.11 -3.30 0.02 0.00 0.66 0.00 0.00 46.19 43.46 3ksg s LEU 52 CO 0.04 -1.04 0.13 -1.61 -1.89 0.00 0.00 176.35 171.98 3ksg s GLU 53 N 3.84 0.12 -1.43 1.98 2.02 0.54 -4.87 118.70 120.90 3ksg s GLU 53 Ca 0.40 0.22 -0.02 0.00 0.02 0.00 0.00 54.97 55.59 3ksg s GLU 53 Cb -0.10 -0.01 0.02 0.00 0.10 0.00 0.00 34.13 34.14 3ksg s GLU 53 CO 0.25 -0.06 0.50 1.04 0.02 0.00 0.00 175.26 177.02 3ksg n GLN 54 N 3.37 -3.56 -3.66 1.61 1.13 -1.26 -2.35 117.38 112.65 3ksg n GLN 54 Ca -0.17 0.43 -0.21 0.00 -1.94 0.00 0.00 57.00 55.12 3ksg n GLN 54 Cb 0.57 -4.69 0.04 0.00 0.11 0.00 0.00 30.24 26.27 3ksg n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3ksg n ASN 55 N -2.96 -1.30 -3.61 1.08 5.15 -1.26 -4.98 115.26 107.38 3ksg n ASN 55 Ca -0.26 -0.79 -0.01 0.00 -0.60 0.00 0.00 54.58 52.92 3ksg n ASN 55 Cb 0.66 -4.20 -0.01 0.00 -0.53 0.00 0.00 39.78 35.70 3ksg n ASN 55 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3ksg s GLU 56 N -5.89 0.27 -0.14 1.20 -1.05 -0.99 -4.68 118.70 107.42 3ksg s GLU 56 Ca 0.01 -0.13 -0.15 0.00 -0.15 0.00 0.00 54.97 54.54 3ksg s GLU 56 Cb -0.00 0.10 -0.05 0.00 -0.44 0.00 0.00 34.13 33.75 3ksg s GLU 56 CO 0.80 -0.12 0.37 -0.51 0.95 0.00 0.00 175.26 176.75 3ksg s LEU 57 N -2.56 4.27 -0.05 1.83 1.43 -0.80 -0.34 118.68 122.45 3ksg s LEU 57 Ca 0.12 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 3ksg s LEU 57 Cb 0.02 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3ksg s LEU 57 CO -0.04 0.07 -0.15 -0.63 0.23 0.00 0.00 176.35 175.83 3ksg s ILE 58 N 0.45 1.34 -0.01 -0.59 1.01 0.37 -1.03 121.20 122.74 3ksg s ILE 58 Ca 0.20 -0.63 -0.37 0.00 0.00 0.00 0.00 60.65 59.85 3ksg s ILE 58 Cb -0.14 -1.17 -0.15 0.00 0.01 0.00 0.00 42.46 41.01 3ksg s ILE 58 CO 0.07 0.39 1.55 -0.11 0.00 0.00 0.00 174.94 176.84 3ksg n LEU 59 N 3.42 2.34 0.00 2.97 7.94 0.03 0.04 117.00 133.74 3ksg n LEU 59 Ca -0.20 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 3ksg n LEU 59 Cb 0.53 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.23 3ksg n LEU 59 CO 0.25 -0.62 0.00 0.61 -1.11 0.00 0.00 177.39 176.52 3ksg n GLY 60 N 3.34 4.20 3.63 -3.96 0.00 0.27 -4.80 105.19 107.86 3ksg n GLY 60 Ca 0.21 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 3ksg n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksg n PRO 61 N -0.22 1.26 -3.68 1.61 -0.02 -1.26 -4.50 135.00 128.19 3ksg n PRO 61 Ca 0.00 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 3ksg n PRO 61 Cb 0.00 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 3ksg n PRO 61 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ksg s PHE 62 N -1.38 -0.20 -0.16 6.00 -0.12 -1.26 -1.61 117.98 119.26 3ksg s PHE 62 Ca 0.69 -0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.53 3ksg s PHE 62 Cb -0.47 0.61 0.02 0.00 -0.63 0.00 0.00 43.02 42.54 3ksg s PHE 62 CO 0.52 -0.75 -0.20 -0.65 -0.05 0.00 0.00 175.22 174.09 3ksg s GLN 63 N -3.25 2.94 0.00 1.99 -1.52 -0.03 -4.96 119.66 114.83 3ksg s GLN 63 Ca 0.10 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 52.69 3ksg s GLN 63 Cb -0.01 -2.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.32 3ksg s GLN 63 CO -0.01 -0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.32 3ksg n GLY 64 N 4.36 0.44 3.92 3.09 0.00 -1.26 -2.67 105.19 113.07 3ksg n GLY 64 Ca -0.20 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 3ksg n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksg s HIS 65 N -3.20 3.28 0.59 1.61 3.76 -1.26 -5.03 115.29 115.05 3ksg s HIS 65 Ca 0.00 0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 55.31 3ksg s HIS 65 Cb 0.00 -2.62 -0.06 0.00 1.11 0.00 0.00 32.58 31.02 3ksg s HIS 65 CO 0.00 -0.68 0.85 -2.30 -0.85 0.00 0.00 174.74 171.76 3ksg n PRO 66 N -2.46 0.79 -4.22 8.40 -0.02 -1.26 -5.02 135.00 131.22 3ksg n PRO 66 Ca 0.04 0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 61.70 3ksg n PRO 66 Cb 0.57 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 3ksg n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksg s ALA 67 N -1.56 1.28 0.30 3.55 0.00 -1.26 -5.13 121.76 118.94 3ksg s ALA 67 Ca 0.74 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3ksg s ALA 67 Cb -0.43 1.28 -0.12 0.00 0.00 0.00 0.00 23.12 23.85 3ksg s ALA 67 CO 0.49 -0.55 1.55 0.43 0.00 0.00 0.00 175.76 177.68 3ksg n SER 68 N -0.31 3.68 0.06 0.00 7.64 -1.26 -4.95 113.62 118.49 3ksg n SER 68 Ca 0.01 1.16 -0.19 0.00 1.01 0.00 0.00 58.87 60.86 3ksg n SER 68 Cb 0.66 -1.57 -0.14 0.00 -1.01 0.00 0.00 64.21 62.14 3ksg n SER 68 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ksg h VAL 69 N 3.23 1.04 -3.40 0.44 2.07 -1.98 -3.41 116.25 114.24 3ksg h VAL 69 Ca -0.47 -2.66 -0.66 0.00 0.82 0.00 0.00 66.70 63.73 3ksg h VAL 69 Cb 1.24 2.75 -0.26 0.00 -1.52 0.00 0.00 31.29 33.50 3ksg h VAL 69 CO 0.76 0.83 -0.76 -1.00 0.02 0.00 0.00 177.57 177.42 3ksg s HIS 70 N -2.60 2.82 -0.23 1.57 3.76 -1.26 -0.79 115.29 118.56 3ksg s HIS 70 Ca -0.12 -0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 54.22 3ksg s HIS 70 Cb 0.06 -1.82 0.07 0.00 1.11 0.00 0.00 32.58 31.99 3ksg s HIS 70 CO 0.85 -0.14 0.02 0.42 -0.85 0.00 0.00 174.74 175.04 3ksg s ILE 71 N 0.21 0.88 0.62 0.60 1.01 -0.19 -5.01 121.20 119.31 3ksg s ILE 71 Ca -0.08 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 3ksg s ILE 71 Cb -0.15 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 3ksg s ILE 71 CO 0.05 -0.27 1.21 -2.16 0.00 0.00 0.00 174.94 173.77 3ksg s PRO 72 N 1.68 2.84 0.36 2.79 0.04 -1.26 -1.90 135.00 139.54 3ksg s PRO 72 Ca -0.00 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 3ksg s PRO 72 Cb -0.18 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3ksg s PRO 72 CO -0.11 -1.30 1.53 0.42 0.04 0.00 0.00 177.00 177.58 3ksg s ILE 73 N -1.68 2.02 0.00 0.56 -1.09 -1.26 -2.01 121.20 117.75 3ksg s ILE 73 Ca 0.77 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 3ksg s ILE 73 Cb -0.30 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 3ksg s ILE 73 CO 0.35 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3ksg n GLY 74 N 0.91 0.95 3.41 6.18 0.00 0.45 -4.94 105.19 112.14 3ksg n GLY 74 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3ksg n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ksg s LYS 75 N -0.04 3.47 0.86 1.61 2.20 -0.85 -4.56 119.74 122.43 3ksg s LYS 75 Ca 0.00 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 3ksg s LYS 75 Cb 0.00 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 3ksg s LYS 75 CO 0.00 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 3ksg n GLY 76 N 3.54 -2.06 0.18 5.54 0.00 -1.26 -1.85 105.19 109.28 3ksg n GLY 76 Ca -0.18 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 3ksg n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ksg h VAL 77 N -0.02 1.35 0.08 1.61 2.07 -1.98 -2.03 116.25 117.33 3ksg h VAL 77 Ca 0.00 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.26 3ksg h VAL 77 Cb 0.02 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3ksg h VAL 77 CO 0.00 0.69 -0.04 0.00 0.02 0.00 0.00 177.57 178.24 3ksg h GLY 79 N -0.68 0.38 1.70 0.00 0.00 -1.47 -1.48 103.07 101.51 3ksg h GLY 79 Ca -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 3ksg h GLY 79 CO 0.02 0.09 -0.70 -0.84 0.00 0.00 0.00 176.54 175.11 3ksg h THR 80 N 0.31 1.40 -0.07 4.70 2.02 -1.32 0.15 112.91 120.11 3ksg h THR 80 Ca 0.18 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 65.14 3ksg h THR 80 Cb 0.33 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3ksg h THR 80 CO -0.04 0.64 -0.28 0.00 0.37 0.00 0.00 175.52 176.21 3ksg h ALA 81 N 1.05 1.41 0.01 6.16 0.00 -0.55 -2.16 119.26 125.18 3ksg h ALA 81 Ca -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3ksg h ALA 81 Cb 1.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ksg h ALA 81 CO 0.11 0.43 -0.17 -0.24 0.00 0.00 0.00 179.25 179.38 3ksg h VAL 82 N 0.11 1.70 -0.12 0.00 3.04 -1.34 0.23 116.25 119.87 3ksg h VAL 82 Ca 0.02 -2.35 0.04 0.00 -1.01 0.00 0.00 66.70 63.39 3ksg h VAL 82 Cb 0.56 3.29 -0.00 0.00 -2.01 0.00 0.00 31.29 33.13 3ksg h VAL 82 CO 0.04 0.60 0.14 0.77 -1.01 0.00 0.00 177.57 178.11 3ksg h SER 83 N -0.94 0.00 -0.03 3.17 4.64 -1.33 -1.16 113.55 117.90 3ksg h SER 83 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3ksg h SER 83 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3ksg h SER 83 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3ksg n GLU 84 N -3.78 0.33 -3.90 4.77 1.02 -0.82 -5.01 120.64 113.24 3ksg n GLU 84 Ca 0.00 -1.03 -0.25 0.00 -0.02 0.00 0.00 57.16 55.87 3ksg n GLU 84 Cb 0.25 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 3ksg n GLU 84 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3ksg n ARG 85 N 0.35 -0.92 -3.81 3.49 1.85 0.77 -4.93 116.66 113.47 3ksg n ARG 85 Ca 0.04 0.06 -0.11 0.00 -1.00 0.00 0.00 57.85 56.84 3ksg n ARG 85 Cb 0.19 -2.68 -0.08 0.00 -1.05 0.00 0.00 32.46 28.84 3ksg n ARG 85 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3ksg s ARG 86 N -6.40 0.69 0.50 2.89 1.70 -0.94 -4.99 118.95 112.40 3ksg s ARG 86 Ca 0.02 -0.46 -0.24 0.00 -0.47 0.00 0.00 55.73 54.58 3ksg s ARG 86 Cb -0.01 0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.60 3ksg s ARG 86 CO 0.77 -0.20 1.41 0.99 -1.08 0.00 0.00 175.30 177.18 3ksg s THR 87 N -2.12 2.02 -0.31 4.99 2.01 -1.26 -4.53 115.64 116.45 3ksg s THR 87 Ca -0.08 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3ksg s THR 87 Cb -0.03 -3.01 0.07 0.00 0.01 0.00 0.00 72.50 69.54 3ksg s THR 87 CO -0.01 0.00 0.00 -1.10 -0.69 0.00 0.00 174.62 172.82 3ksg s GLN 88 N -2.68 2.07 -0.41 4.92 -1.52 0.09 -4.98 119.66 117.15 3ksg s GLN 88 Ca 0.66 -1.52 -0.14 0.00 -1.95 0.00 0.00 55.36 52.41 3ksg s GLN 88 Cb -0.43 -3.14 0.04 0.00 -0.22 0.00 0.00 33.01 29.26 3ksg s GLN 88 CO 0.53 -0.74 0.29 0.08 -0.25 0.00 0.00 175.29 175.20 3ksg s VAL 89 N 1.10 5.00 -0.41 1.09 1.01 -1.26 -1.36 120.40 125.56 3ksg s VAL 89 Ca -0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3ksg s VAL 89 Cb -0.20 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.43 3ksg s VAL 89 CO -0.05 -0.35 0.22 -0.69 0.00 0.00 0.00 175.10 174.23 3ksg s VAL 90 N 1.62 3.82 0.31 2.92 1.01 0.71 -4.97 120.40 125.81 3ksg s VAL 90 Ca 0.04 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.42 3ksg s VAL 90 Cb -0.20 -3.41 0.13 0.00 0.00 0.00 0.00 36.38 32.90 3ksg s VAL 90 CO 0.08 -0.54 1.82 0.00 0.00 0.00 0.00 175.10 176.46 3ksg h ALA 91 N 8.26 1.25 -2.75 5.51 0.00 -1.87 0.05 119.26 129.72 3ksg h ALA 91 Ca -0.20 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 53.88 3ksg h ALA 91 Cb 1.07 -0.16 -0.39 0.00 0.00 0.00 0.00 17.79 18.31 3ksg h ALA 91 CO 0.72 0.50 -0.80 0.34 0.00 0.00 0.00 179.25 180.01 3ksg s ASP 92 N -6.72 3.20 0.59 0.00 3.68 -1.26 -0.90 116.67 115.26 3ksg s ASP 92 Ca -0.08 -2.43 0.29 0.00 2.13 0.00 0.00 52.55 52.45 3ksg s ASP 92 Cb 0.15 -0.68 1.62 0.00 -1.45 0.00 0.00 42.92 42.56 3ksg s ASP 92 CO 0.78 -0.28 2.07 0.58 0.13 0.00 0.00 175.17 178.45 3ksg h VAL 93 N 5.09 0.46 0.47 1.11 2.07 0.32 -3.05 116.25 122.72 3ksg h VAL 93 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ksg h VAL 93 Cb 0.95 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3ksg h VAL 93 CO 0.37 0.00 -0.23 0.45 0.02 0.00 0.00 177.57 178.18 3ksg h HIS 94 N 0.00 -0.59 0.00 1.57 3.86 -1.84 -2.73 115.15 115.42 3ksg h HIS 94 Ca 0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3ksg h HIS 94 Cb 0.60 0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3ksg h HIS 94 CO 0.00 -0.27 0.00 0.00 0.86 0.00 0.00 177.93 178.52 3ksg n GLN 95 N -5.27 0.55 -3.16 2.45 10.64 -1.15 -4.38 117.38 117.07 3ksg n GLN 95 Ca -0.11 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.64 3ksg n GLN 95 Cb 0.31 -1.44 -0.07 0.00 -0.86 0.00 0.00 30.24 28.17 3ksg n GLN 95 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 3ksg s PHE 96 N -2.00 3.13 0.13 2.61 5.36 -1.03 -4.90 117.98 121.28 3ksg s PHE 96 Ca 0.24 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 3ksg s PHE 96 Cb 0.11 -3.13 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 3ksg s PHE 96 CO 0.18 -0.68 0.00 1.63 -1.46 0.00 0.00 175.22 174.89 3ksg n LYS 97 N 6.01 -1.11 -0.55 10.12 5.02 -1.26 -4.84 118.16 131.54 3ksg n LYS 97 Ca -0.03 0.73 -0.22 0.00 -2.02 0.00 0.00 58.31 56.78 3ksg n LYS 97 Cb 0.48 -1.36 0.15 0.00 -0.02 0.00 0.00 35.03 34.29 3ksg n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ksg n GLY 98 N -1.65 -2.56 2.05 0.72 0.00 -1.26 -4.90 105.19 97.59 3ksg n GLY 98 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 3ksg n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ksg n HIS 99 N -4.44 2.05 -0.22 1.61 8.25 -1.26 -4.82 115.22 116.39 3ksg n HIS 99 Ca 0.05 -2.07 0.00 0.00 -0.26 0.00 0.00 57.72 55.44 3ksg n HIS 99 Cb 0.42 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3ksg n HIS 99 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3ksg n ILE 100 N -0.68 0.00 0.00 1.59 -5.35 -1.26 -4.74 119.36 108.92 3ksg n ILE 100 Ca 0.32 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.80 3ksg n ILE 100 Cb 0.91 -1.13 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 3ksg n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ksg n ALA 101 N -3.00 0.89 0.46 -1.28 0.00 -1.26 -1.60 120.51 114.73 3ksg n ALA 101 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3ksg n ALA 101 Cb 0.00 -0.65 0.20 0.00 0.00 0.00 0.00 19.45 19.01 3ksg n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksg n ASP 103 N 0.72 3.08 0.00 0.00 5.68 -0.63 -4.73 116.55 120.67 3ksg n ASP 103 Ca 0.15 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 3ksg n ASP 103 Cb 0.45 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3ksg n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksg n ALA 104 N 0.15 0.00 0.08 2.12 0.00 -1.26 -4.61 120.51 116.99 3ksg n ALA 104 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 3ksg n ALA 104 Cb 0.73 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.28 3ksg n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ksg n ASN 105 N 0.00 3.24 -4.11 0.00 4.13 -1.26 -4.72 115.26 112.55 3ksg n ASN 105 Ca 0.00 -2.61 -0.36 0.00 1.68 0.00 0.00 54.58 53.29 3ksg n ASN 105 Cb 0.00 -0.63 -0.11 0.00 -1.54 0.00 0.00 39.78 37.51 3ksg n ASN 105 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3ksg s SER 106 N -0.08 5.25 -0.19 6.41 1.04 -1.26 -1.49 113.70 123.38 3ksg s SER 106 Ca 0.24 -2.40 -0.11 0.00 0.48 0.00 0.00 55.95 54.15 3ksg s SER 106 Cb 0.20 -1.84 -0.21 0.00 0.10 0.00 0.00 66.02 64.27 3ksg s SER 106 CO 0.05 -0.47 0.14 0.29 0.98 0.00 0.00 173.24 174.23 3ksg n LYS 107 N 4.10 0.66 -4.56 4.02 4.76 0.58 -4.70 118.16 123.00 3ksg n LYS 107 Ca 0.02 0.35 -0.26 0.00 -2.87 0.00 0.00 58.31 55.55 3ksg n LYS 107 Cb 0.40 -1.67 -0.10 0.00 -1.84 0.00 0.00 35.03 31.82 3ksg n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ksg s SER 108 N -6.97 3.22 -0.11 4.39 1.04 -0.40 0.88 113.70 115.74 3ksg s SER 108 Ca -0.28 -1.45 -0.31 0.00 0.48 0.00 0.00 55.95 54.38 3ksg s SER 108 Cb 0.08 -0.03 0.12 0.00 0.10 0.00 0.00 66.02 66.29 3ksg s SER 108 CO 0.65 -0.63 1.05 -0.70 0.98 0.00 0.00 173.24 174.59 3ksg s GLU 109 N -3.80 0.56 -0.04 4.02 2.12 0.00 -2.90 118.70 118.65 3ksg s GLU 109 Ca 0.30 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 3ksg s GLU 109 Cb 0.07 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.75 3ksg s GLU 109 CO 0.14 -0.23 0.10 -1.50 -0.54 0.00 0.00 175.26 173.24 3ksg s ILE 110 N -2.45 -0.03 -0.09 -3.70 2.07 -1.02 -0.21 121.20 115.76 3ksg s ILE 110 Ca 0.06 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.43 3ksg s ILE 110 Cb -0.01 -0.17 0.02 0.00 0.13 0.00 0.00 42.46 42.43 3ksg s ILE 110 CO -0.06 0.05 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.21 3ksg s VAL 111 N 0.73 1.23 -0.24 4.00 1.01 -0.47 -2.02 120.40 124.65 3ksg s VAL 111 Ca -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3ksg s VAL 111 Cb -0.08 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3ksg s VAL 111 CO -0.03 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.71 3ksg s VAL 112 N 1.04 3.07 0.67 2.92 1.01 -0.29 -0.73 120.40 128.09 3ksg s VAL 112 Ca -0.07 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 3ksg s VAL 112 Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3ksg s VAL 112 CO -0.01 0.28 1.20 -2.16 0.00 0.00 0.00 175.10 174.41 3ksg s PRO 113 N 1.39 2.55 -0.08 2.72 0.04 -1.26 -0.77 135.00 139.58 3ksg s PRO 113 Ca 0.02 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.88 3ksg s PRO 113 Cb -0.16 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3ksg s PRO 113 CO -0.04 -1.53 -0.22 0.42 0.04 0.00 0.00 177.00 175.67 3ksg s ILE 114 N -1.83 2.30 0.14 0.56 -1.09 0.59 -4.84 121.20 117.03 3ksg s ILE 114 Ca 0.75 -0.96 0.09 0.00 -2.23 0.00 0.00 60.65 58.31 3ksg s ILE 114 Cb -0.29 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 3ksg s ILE 114 CO 0.40 0.56 -0.22 -0.36 -1.23 0.00 0.00 174.94 174.09 3ksg s PHE 115 N 0.04 1.96 -0.16 3.97 0.40 -1.26 -1.44 117.98 121.49 3ksg s PHE 115 Ca -0.09 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 3ksg s PHE 115 Cb -0.15 -1.03 0.05 0.00 0.51 0.00 0.00 43.02 42.41 3ksg s PHE 115 CO 0.05 0.31 0.05 0.21 0.70 0.00 0.00 175.22 176.55 3ksg s LYS 116 N -2.33 0.41 -1.31 0.44 2.20 0.18 -4.78 119.74 114.55 3ksg s LYS 116 Ca 0.13 -0.20 -0.07 0.00 -0.36 0.00 0.00 55.97 55.47 3ksg s LYS 116 Cb -0.08 -1.80 0.01 0.00 -1.51 0.00 0.00 37.83 34.45 3ksg s LYS 116 CO 0.06 -0.59 1.13 -0.25 -0.36 0.00 0.00 175.35 175.34 3ksg n ASP 117 N 5.15 -5.25 0.00 1.43 8.00 -1.26 -2.20 116.55 122.42 3ksg n ASP 117 Ca -0.08 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.87 3ksg n ASP 117 Cb 0.48 -5.03 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 3ksg n ASP 117 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ksg n ASP 118 N -3.02 0.00 -4.89 -2.24 8.00 -1.26 -5.00 116.55 108.13 3ksg n ASP 118 Ca -0.07 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.08 3ksg n ASP 118 Cb 0.59 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 3ksg n ASP 118 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ksg s LYS 119 N -0.16 3.44 -0.12 -1.24 2.47 -0.93 -5.00 119.74 118.19 3ksg s LYS 119 Ca 0.00 -0.24 -0.29 0.00 -1.56 0.00 0.00 55.97 53.88 3ksg s LYS 119 Cb 0.00 -3.14 -0.03 0.00 -1.46 0.00 0.00 37.83 33.20 3ksg s LYS 119 CO 0.00 0.72 1.43 0.42 0.16 0.00 0.00 175.35 178.08 3ksg s ILE 120 N -1.20 3.99 -0.37 5.43 1.01 -1.26 -0.64 121.20 128.16 3ksg s ILE 120 Ca 0.22 1.19 0.11 0.00 0.00 0.00 0.00 60.65 62.17 3ksg s ILE 120 Cb -0.12 -3.78 -0.13 0.00 0.01 0.00 0.00 42.46 38.44 3ksg s ILE 120 CO 0.13 -0.12 0.39 2.30 0.00 0.00 0.00 174.94 177.64 3ksg n ILE 121 N 5.45 0.00 -3.42 2.92 -5.35 -0.52 -4.80 119.36 113.64 3ksg n ILE 121 Ca 0.15 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3ksg n ILE 121 Cb 0.44 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 3ksg n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksg n GLY 122 N 1.42 -1.29 3.17 3.28 0.00 -1.22 -1.44 105.19 109.11 3ksg n GLY 122 Ca 0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 3ksg n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksg s VAL 123 N -3.00 0.15 -0.18 1.61 -7.23 -0.59 -0.30 120.40 110.85 3ksg s VAL 123 Ca 0.00 -1.24 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 3ksg s VAL 123 Cb 0.00 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 3ksg s VAL 123 CO 0.00 -0.68 0.07 -0.22 -0.31 0.00 0.00 175.10 173.96 3ksg s LEU 124 N -2.67 3.85 -0.09 1.32 2.96 0.05 -2.21 118.68 121.87 3ksg s LEU 124 Ca 0.03 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3ksg s LEU 124 Cb 0.04 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3ksg s LEU 124 CO -0.09 0.17 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.36 3ksg s ASP 125 N 0.38 2.18 -0.07 3.68 2.15 -0.01 -1.14 116.67 123.84 3ksg s ASP 125 Ca 0.03 -0.37 0.01 0.00 0.43 0.00 0.00 52.55 52.66 3ksg s ASP 125 Cb -0.12 -0.96 0.02 0.00 -0.30 0.00 0.00 42.92 41.55 3ksg s ASP 125 CO -0.00 0.00 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.30 3ksg s ILE 126 N 0.98 0.86 0.17 4.11 1.01 -0.85 -0.83 121.20 126.65 3ksg s ILE 126 Ca -0.08 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3ksg s ILE 126 Cb -0.15 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3ksg s ILE 126 CO -0.01 0.31 0.26 -1.81 0.00 0.00 0.00 174.94 173.69 3ksg s ASP 127 N 1.16 6.10 -0.06 3.58 1.11 0.18 -2.45 116.67 126.30 3ksg s ASP 127 Ca -0.06 0.06 -0.05 0.00 0.18 0.00 0.00 52.55 52.69 3ksg s ASP 127 Cb -0.14 -1.77 0.02 0.00 1.07 0.00 0.00 42.92 42.10 3ksg s ASP 127 CO -0.02 0.03 0.15 0.00 1.18 0.00 0.00 175.17 176.52 3ksg s ALA 128 N -1.80 -0.36 -2.00 5.23 0.00 -1.14 -1.14 121.76 120.55 3ksg s ALA 128 Ca 0.34 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.87 3ksg s ALA 128 Cb -0.10 -0.30 0.44 0.00 0.00 0.00 0.00 23.12 23.16 3ksg s ALA 128 CO 0.27 -0.09 1.01 -0.35 0.00 0.00 0.00 175.76 176.60 3ksg n PRO 129 N 3.29 0.67 -4.33 0.00 -0.04 -0.56 -0.31 135.00 133.73 3ksg n PRO 129 Ca -0.16 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 3ksg n PRO 129 Cb 0.57 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.76 3ksg n PRO 129 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ksg s ILE 130 N -2.00 0.93 0.41 0.52 -4.36 -1.26 -4.52 121.20 110.92 3ksg s ILE 130 Ca 0.11 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 58.42 3ksg s ILE 130 Cb 0.05 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.31 3ksg s ILE 130 CO 0.09 -0.27 0.71 0.42 0.24 0.00 0.00 174.94 176.13 3ksg s THR 131 N -3.49 4.92 -1.61 8.37 -4.23 -1.26 -1.28 115.64 117.06 3ksg s THR 131 Ca 0.30 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3ksg s THR 131 Cb 0.06 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.10 3ksg s THR 131 CO 0.09 -0.64 0.00 0.47 -0.54 0.00 0.00 174.62 174.01 3ksg n ASP 132 N -1.72 -4.61 -0.02 3.99 9.92 -0.08 -4.85 116.55 119.17 3ksg n ASP 132 Ca 0.00 0.27 0.02 0.00 -0.53 0.00 0.00 54.79 54.54 3ksg n ASP 132 Cb 0.55 -4.03 0.34 0.00 -0.64 0.00 0.00 41.12 37.34 3ksg n ASP 132 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3ksg h ARG 133 N 0.00 0.59 -5.79 -1.24 9.65 -1.83 -3.42 114.38 112.33 3ksg h ARG 133 Ca -0.36 -0.07 -0.67 0.00 -1.10 0.00 0.00 59.98 57.77 3ksg h ARG 133 Cb 1.18 -0.11 -0.25 0.00 -1.39 0.00 0.00 29.97 29.39 3ksg h ARG 133 CO 0.48 0.48 -0.77 -0.06 2.80 0.00 0.00 179.97 182.91 3ksg s PHE 134 N -5.29 2.75 0.30 2.20 0.08 -1.26 -5.04 117.98 111.72 3ksg s PHE 134 Ca -0.08 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.57 3ksg s PHE 134 Cb 0.17 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 3ksg s PHE 134 CO 0.75 -0.03 0.10 -0.40 -0.10 0.00 0.00 175.22 175.54 3ksg n ASP 135 N 2.96 1.23 -0.34 1.36 5.68 -1.26 -4.79 116.55 121.39 3ksg n ASP 135 Ca -0.18 -2.58 0.22 0.00 -0.50 0.00 0.00 54.79 51.75 3ksg n ASP 135 Cb 0.52 0.73 0.45 0.00 -1.14 0.00 0.00 41.12 41.69 3ksg n ASP 135 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ksg h ASP 136 N 1.17 0.56 -0.23 -1.12 5.19 -2.00 0.74 116.42 120.74 3ksg h ASP 136 Ca -0.23 0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.30 3ksg h ASP 136 Cb 0.89 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 3ksg h ASP 136 CO 0.37 -0.05 -0.03 -1.13 -3.12 0.00 0.00 179.24 175.28 3ksg h ASN 137 N 0.40 0.42 -0.20 6.45 -0.73 -1.99 -0.21 115.58 119.72 3ksg h ASN 137 Ca 0.70 -0.34 0.02 0.00 1.87 0.00 0.00 56.30 58.55 3ksg h ASN 137 Cb 1.55 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 40.01 3ksg h ASN 137 CO -0.55 0.67 0.08 0.44 -0.37 0.00 0.00 177.43 177.70 3ksg h ASP 138 N 0.17 0.10 -0.26 1.15 3.32 -1.34 -2.30 116.42 117.26 3ksg h ASP 138 Ca 0.06 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.18 3ksg h ASP 138 Cb 0.47 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.94 3ksg h ASP 138 CO 0.02 0.09 -0.42 0.50 -1.72 0.00 0.00 179.24 177.70 3ksg h LYS 139 N 0.18 -0.39 0.11 3.56 3.64 -0.79 0.46 116.57 123.34 3ksg h LYS 139 Ca 0.09 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3ksg h LYS 139 Cb 0.05 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3ksg h LYS 139 CO -0.08 -0.26 -0.50 0.93 -2.27 0.00 0.00 179.45 177.26 3ksg h GLU 140 N -0.41 -0.69 -0.56 1.90 5.08 -0.73 -0.07 114.58 119.10 3ksg h GLU 140 Ca 0.11 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ksg h GLU 140 Cb 0.60 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3ksg h GLU 140 CO -0.48 -0.46 0.35 0.45 -1.00 0.00 0.00 179.01 177.87 3ksg h HIS 141 N -0.72 0.72 -0.25 4.33 3.86 -1.16 -1.76 115.15 120.17 3ksg h HIS 141 Ca -0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3ksg h HIS 141 Cb 0.72 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3ksg h HIS 141 CO -0.45 0.48 0.04 -0.07 0.86 0.00 0.00 177.93 178.80 3ksg h LEU 142 N 0.75 0.33 -0.88 2.43 3.38 0.07 0.02 115.31 121.43 3ksg h LEU 142 Ca 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3ksg h LEU 142 Cb -0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ksg h LEU 142 CO -0.04 0.36 -0.12 -0.33 0.09 0.00 0.00 178.44 178.39 3ksg h GLU 143 N 0.36 0.00 -0.02 1.13 5.08 -0.33 -2.34 114.58 118.45 3ksg h GLU 143 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 3ksg h GLU 143 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3ksg h GLU 143 CO -0.00 0.12 -0.80 0.00 -1.00 0.00 0.00 179.01 177.34 3ksg h ALA 144 N 1.88 0.59 -0.05 3.43 0.00 -0.18 -2.62 119.26 122.31 3ksg h ALA 144 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3ksg h ALA 144 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ksg h ALA 144 CO 0.02 0.84 -0.01 0.82 0.00 0.00 0.00 179.25 180.92 3ksg h ILE 145 N 0.16 1.27 -0.20 0.00 1.08 -0.93 -1.50 117.51 117.40 3ksg h ILE 145 Ca -0.04 -0.85 0.06 0.00 -0.39 0.00 0.00 64.86 63.64 3ksg h ILE 145 Cb 1.39 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.87 3ksg h ILE 145 CO 0.13 0.23 0.15 0.58 -0.69 0.00 0.00 178.15 178.55 3ksg h VAL 146 N -0.22 0.84 -0.22 1.67 2.07 -1.45 0.90 116.25 119.84 3ksg h VAL 146 Ca 0.01 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 3ksg h VAL 146 Cb 0.37 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3ksg h VAL 146 CO 0.00 0.00 -0.56 0.50 0.02 0.00 0.00 177.57 177.54 3ksg h LYS 147 N 0.00 0.68 -0.38 1.57 1.63 -1.01 0.43 116.57 119.49 3ksg h LYS 147 Ca 0.10 -0.43 -0.09 0.00 -0.85 0.00 0.00 60.65 59.38 3ksg h LYS 147 Cb 0.40 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3ksg h LYS 147 CO -0.00 1.05 -0.12 0.82 -3.45 0.00 0.00 179.45 177.75 3ksg h ILE 148 N 0.52 1.25 -0.06 2.00 2.04 0.09 -1.41 117.51 121.94 3ksg h ILE 148 Ca 0.01 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 3ksg h ILE 148 Cb 1.13 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3ksg h ILE 148 CO 0.11 0.38 -0.08 0.40 0.00 0.00 0.00 178.15 178.96 3ksg h ILE 149 N 0.61 1.39 -0.87 -0.67 2.04 -0.59 -3.14 117.51 116.28 3ksg h ILE 149 Ca 0.11 -1.30 0.15 0.00 1.00 0.00 0.00 64.86 64.81 3ksg h ILE 149 Cb 0.56 2.12 -0.07 0.00 -0.74 0.00 0.00 36.82 38.69 3ksg h ILE 149 CO 0.04 0.36 0.57 -0.33 0.00 0.00 0.00 178.15 178.78 3ksg h GLU 150 N -0.29 0.62 -0.72 2.37 5.08 0.07 -1.08 114.58 120.62 3ksg h GLU 150 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ksg h GLU 150 Cb 0.62 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3ksg h GLU 150 CO 0.02 0.41 0.40 0.87 -1.00 0.00 0.00 179.01 179.71 3ksg h LYS 151 N 0.64 1.00 0.00 2.33 6.56 -1.21 0.12 116.57 126.01 3ksg h LYS 151 Ca 0.44 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 3ksg h LYS 151 Cb 0.76 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 3ksg h LYS 151 CO -0.19 0.73 0.00 1.96 -2.06 0.00 0.00 179.45 179.88 3ksg h GLN 152 N 1.01 0.00 0.00 3.15 1.08 -1.22 -3.24 115.11 115.89 3ksg h GLN 152 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 3ksg h GLN 152 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3ksg h GLN 152 CO -0.04 0.00 -1.90 1.28 -0.95 0.00 0.00 178.83 177.22 3ksg n LEU 153 N -2.90 0.09 0.00 1.46 4.77 -1.02 -4.51 117.00 114.89 3ksg n LEU 153 Ca 0.04 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ksg n LEU 153 Cb 0.49 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3ksg n LEU 153 CO 0.32 -0.00 0.19 0.00 -1.33 0.00 0.00 177.39 176.58