#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksf s ILE 4 N 0.00 2.04 0.11 12.58 1.01 -1.26 -4.91 121.20 130.78 3ksf s ILE 4 Ca 0.00 -1.17 -0.31 0.00 0.00 0.00 0.00 60.65 59.17 3ksf s ILE 4 Cb 0.00 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.41 3ksf s ILE 4 CO 0.00 0.31 1.50 0.20 0.00 0.00 0.00 174.94 176.96 3ksf s ASN 5 N 1.24 6.70 0.44 3.58 0.01 -1.26 -4.93 114.94 120.72 3ksf s ASN 5 Ca -0.00 2.44 -0.24 0.00 -0.71 0.00 0.00 52.86 54.35 3ksf s ASN 5 Cb -0.16 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.82 3ksf s ASN 5 CO -0.10 -0.76 1.03 -2.65 -1.51 0.00 0.00 177.10 173.11 3ksf n PRO 6 N 4.42 1.37 -3.53 -0.60 -0.02 -1.26 -4.62 135.00 130.75 3ksf n PRO 6 Ca 0.13 0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 3ksf n PRO 6 Cb 0.41 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3ksf n PRO 6 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ksf s THR 7 N -1.29 5.30 -1.30 3.45 2.01 -1.26 -4.97 115.64 117.57 3ksf s THR 7 Ca 0.64 0.57 -0.14 0.00 0.31 0.00 0.00 61.69 63.07 3ksf s THR 7 Cb -0.53 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.45 3ksf s THR 7 CO 0.56 0.39 1.79 -3.20 -0.69 0.00 0.00 174.62 173.47 3ksf n ASN 8 N 3.52 4.83 0.23 3.53 4.05 -1.26 -4.77 115.26 125.39 3ksf n ASN 8 Ca -0.12 -2.96 0.06 0.00 0.45 0.00 0.00 54.58 52.01 3ksf n ASN 8 Cb 0.52 -1.62 0.53 0.00 1.23 0.00 0.00 39.78 40.44 3ksf n ASN 8 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 177.26 176.09 3ksf h TYR 9 N 6.70 0.00 -0.24 1.20 0.05 -1.96 -0.28 116.97 122.43 3ksf h TYR 9 Ca 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.20 3ksf h TYR 9 Cb 0.77 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 3ksf h TYR 9 CO 1.30 0.16 0.13 1.15 -1.05 0.00 0.00 178.16 179.85 3ksf h THR 10 N 0.00 1.13 -0.17 -2.88 2.02 -2.01 -1.43 112.91 109.58 3ksf h THR 10 Ca -0.00 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.64 3ksf h THR 10 Cb 0.28 0.92 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3ksf h THR 10 CO 0.02 0.13 -0.60 0.25 0.37 0.00 0.00 175.52 175.69 3ksf h LEU 11 N 0.27 0.81 -0.93 2.58 5.85 -1.90 -3.19 115.31 118.81 3ksf h LEU 11 Ca 0.09 -0.61 0.11 0.00 0.84 0.00 0.00 57.88 58.31 3ksf h LEU 11 Cb 0.09 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 3ksf h LEU 11 CO -0.01 1.28 0.56 0.25 -0.34 0.00 0.00 178.44 180.18 3ksf h LEU 12 N 0.39 0.81 -1.33 2.25 5.85 -0.90 0.93 115.31 123.30 3ksf h LEU 12 Ca -0.03 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3ksf h LEU 12 Cb 1.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3ksf h LEU 12 CO 0.13 0.44 -0.30 0.11 -0.34 0.00 0.00 178.44 178.48 3ksf h LYS 13 N 0.90 0.00 -0.07 1.25 1.57 -1.29 0.18 116.57 119.10 3ksf h LYS 13 Ca 0.46 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.02 3ksf h LYS 13 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.78 3ksf h LYS 13 CO -0.27 0.30 -0.82 0.87 -0.57 0.00 0.00 179.45 178.96 3ksf h LYS 14 N 0.00 0.69 -0.21 3.15 1.57 -0.93 -2.56 116.57 118.28 3ksf h LYS 14 Ca -0.00 -0.64 -0.08 0.00 -1.87 0.00 0.00 60.65 58.06 3ksf h LYS 14 Cb 0.65 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3ksf h LYS 14 CO 0.04 1.24 -0.21 1.96 -0.57 0.00 0.00 179.45 181.91 3ksf h GLN 15 N 0.36 0.37 -0.19 3.15 4.20 -0.29 -1.78 115.11 120.93 3ksf h GLN 15 Ca -0.08 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 3ksf h GLN 15 Cb 1.47 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.22 3ksf h GLN 15 CO 0.17 0.57 -0.21 0.00 -0.67 0.00 0.00 178.83 178.69 3ksf h ALA 16 N 1.45 0.28 -0.51 3.87 0.00 -0.65 -1.10 119.26 122.61 3ksf h ALA 16 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3ksf h ALA 16 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ksf h ALA 16 CO 0.04 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.75 3ksf h ALA 17 N 0.63 0.66 -0.50 0.00 0.00 -1.32 -2.68 119.26 116.05 3ksf h ALA 17 Ca 0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3ksf h ALA 17 Cb 0.76 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ksf h ALA 17 CO 0.05 0.22 -0.07 0.77 0.00 0.00 0.00 179.25 180.23 3ksf h SER 18 N 0.68 0.88 -0.11 0.00 0.02 -1.32 -1.79 113.55 111.91 3ksf h SER 18 Ca 0.17 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3ksf h SER 18 Cb 0.13 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3ksf h SER 18 CO -0.02 0.98 0.07 0.25 -1.14 0.00 0.00 176.83 176.97 3ksf h LEU 19 N 0.82 0.13 -3.21 5.07 6.46 -0.96 -3.16 115.31 120.44 3ksf h LEU 19 Ca 0.14 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3ksf h LEU 19 Cb 0.58 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3ksf h LEU 19 CO 0.04 0.13 0.00 2.30 -0.62 0.00 0.00 178.44 180.28 3ksf n ILE 20 N -4.99 1.99 -1.89 4.05 -5.35 -1.03 -4.96 119.36 107.18 3ksf n ILE 20 Ca -0.05 -1.28 -0.41 0.00 -0.27 0.00 0.00 62.75 60.73 3ksf n ILE 20 Cb 0.05 0.05 -0.01 0.00 -1.74 0.00 0.00 39.64 37.98 3ksf n ILE 20 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3ksf s GLU 21 N -2.04 4.19 0.00 6.28 2.12 -0.68 -1.99 118.70 126.58 3ksf s GLU 21 Ca 0.50 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.29 3ksf s GLU 21 Cb 0.34 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.69 3ksf s GLU 21 CO 0.22 -0.49 0.00 -0.25 -0.54 0.00 0.00 175.26 174.19 3ksf n ASP 22 N 1.58 -4.55 -4.59 -1.70 10.43 -1.26 -4.99 116.55 111.47 3ksf n ASP 22 Ca 0.05 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.12 3ksf n ASP 22 Cb 0.39 -2.19 -0.09 0.00 1.84 0.00 0.00 41.12 41.07 3ksf n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3ksf s GLU 23 N -1.12 2.15 0.00 -1.24 0.41 -0.84 -5.00 118.70 113.06 3ksf s GLU 23 Ca 0.00 -1.10 0.00 0.00 -0.41 0.00 0.00 54.97 53.46 3ksf s GLU 23 Cb 0.00 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 3ksf s GLU 23 CO 0.00 0.48 0.00 0.72 -0.49 0.00 0.00 175.26 175.97 3ksf n HIS 24 N 0.41 0.00 -1.67 1.61 8.25 -1.26 -4.81 115.22 117.75 3ksf n HIS 24 Ca -0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.91 3ksf n HIS 24 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 3ksf n HIS 24 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ksf s HIS 25 N -0.15 1.26 0.15 4.41 5.04 -1.26 -4.74 115.29 120.01 3ksf s HIS 25 Ca 0.00 0.61 -0.17 0.00 -1.54 0.00 0.00 55.06 53.96 3ksf s HIS 25 Cb 0.00 -3.94 0.05 0.00 0.04 0.00 0.00 32.58 28.73 3ksf s HIS 25 CO 0.00 -3.83 1.74 1.98 -2.34 0.00 0.00 174.74 172.29 3ksf h MET 26 N 14.97 0.21 -0.74 2.88 4.05 -1.96 -0.93 114.93 133.41 3ksf h MET 26 Ca -0.39 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 58.95 3ksf h MET 26 Cb 1.23 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 3ksf h MET 26 CO 0.98 0.14 0.20 0.82 0.23 0.00 0.00 176.91 179.28 3ksf h ILE 27 N 0.21 1.26 -0.56 1.77 1.08 -1.99 0.79 117.51 120.08 3ksf h ILE 27 Ca 0.15 -0.95 -0.05 0.00 -0.39 0.00 0.00 64.86 63.63 3ksf h ILE 27 Cb 0.15 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 3ksf h ILE 27 CO -0.19 0.37 0.16 0.00 -0.69 0.00 0.00 178.15 177.80 3ksf h ALA 28 N 1.11 0.73 -0.27 1.87 0.00 -1.92 0.26 119.26 121.04 3ksf h ALA 28 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ksf h ALA 28 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ksf h ALA 28 CO -0.00 0.41 0.08 0.82 0.00 0.00 0.00 179.25 180.56 3ksf h ILE 29 N 0.78 1.21 -0.62 0.00 2.04 -0.82 -0.95 117.51 119.15 3ksf h ILE 29 Ca 0.18 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 3ksf h ILE 29 Cb 0.31 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3ksf h ILE 29 CO -0.00 0.22 0.08 -0.07 0.00 0.00 0.00 178.15 178.38 3ksf h LEU 30 N 0.27 0.98 0.18 1.44 4.07 -0.73 0.74 115.31 122.26 3ksf h LEU 30 Ca 0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 3ksf h LEU 30 Cb 0.26 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3ksf h LEU 30 CO -0.00 0.99 -0.09 0.28 -1.08 0.00 0.00 178.44 178.54 3ksf h SER 31 N 0.96 -0.21 -0.57 -0.43 0.02 -0.79 -1.25 113.55 111.28 3ksf h SER 31 Ca 0.19 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3ksf h SER 31 Cb 0.44 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3ksf h SER 31 CO 0.01 0.02 0.10 0.78 -1.14 0.00 0.00 176.83 176.60 3ksf h ASN 32 N -0.43 0.94 0.29 3.07 2.35 -1.08 -2.70 115.58 118.02 3ksf h ASN 32 Ca -0.02 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.45 3ksf h ASN 32 Cb 0.33 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3ksf h ASN 32 CO 0.04 0.94 -0.31 0.24 -1.65 0.00 0.00 177.43 176.68 3ksf h MET 33 N 0.93 0.04 -0.44 0.81 2.86 -0.77 -1.03 114.93 117.33 3ksf h MET 33 Ca 0.19 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3ksf h MET 33 Cb 0.40 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3ksf h MET 33 CO 0.01 0.35 -0.09 0.66 1.06 0.00 0.00 176.91 178.90 3ksf h SER 34 N 0.04 0.76 -0.27 1.22 4.64 -0.90 -1.71 113.55 117.32 3ksf h SER 34 Ca 0.00 -0.22 -0.19 0.00 -0.47 0.00 0.00 61.79 60.92 3ksf h SER 34 Cb 0.57 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ksf h SER 34 CO 0.04 0.88 -0.56 0.00 -0.87 0.00 0.00 176.83 176.32 3ksf h ALA 35 N 1.19 0.46 -0.16 5.18 0.00 -1.25 -2.01 119.26 122.68 3ksf h ALA 35 Ca 0.12 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ksf h ALA 35 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ksf h ALA 35 CO 0.03 0.68 0.09 1.25 0.00 0.00 0.00 179.25 181.30 3ksf h LEU 36 N 0.66 0.20 -0.58 0.00 5.85 -0.93 -0.80 115.31 119.70 3ksf h LEU 36 Ca 0.01 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3ksf h LEU 36 Cb 1.17 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3ksf h LEU 36 CO 0.12 0.22 0.22 -0.07 -0.34 0.00 0.00 178.44 178.59 3ksf h LEU 37 N 0.16 0.82 -1.27 2.25 3.38 -1.36 -2.04 115.31 117.25 3ksf h LEU 37 Ca 0.06 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3ksf h LEU 37 Cb 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ksf h LEU 37 CO -0.01 0.78 0.49 -1.13 0.09 0.00 0.00 178.44 178.67 3ksf h ASN 38 N 0.81 0.85 1.57 -0.43 -1.24 -1.09 -1.23 115.58 114.83 3ksf h ASN 38 Ca 0.19 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.18 3ksf h ASN 38 Cb 0.23 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.07 3ksf h ASN 38 CO -0.01 0.62 0.00 0.44 -1.29 0.00 0.00 177.43 177.18 3ksf h ASP 39 N 1.01 0.00 -0.00 1.15 3.32 -0.80 -3.36 116.42 117.73 3ksf h ASP 39 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ksf h ASP 39 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3ksf h ASP 39 CO -0.06 0.00 -0.02 0.59 -1.72 0.00 0.00 179.24 178.03 3ksf n ASN 40 N -2.47 1.09 -4.44 6.45 3.02 -0.80 -4.98 115.26 113.14 3ksf n ASN 40 Ca 0.05 -1.05 -0.33 0.00 -0.03 0.00 0.00 54.58 53.22 3ksf n ASN 40 Cb 0.45 0.14 -0.13 0.00 -0.61 0.00 0.00 39.78 39.62 3ksf n ASN 40 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ksf s LEU 41 N -0.50 3.02 0.32 3.41 1.43 -0.53 -4.75 118.68 121.07 3ksf s LEU 41 Ca 0.03 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3ksf s LEU 41 Cb 0.02 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3ksf s LEU 41 CO 0.05 0.16 0.56 -0.62 0.23 0.00 0.00 176.35 176.73 3ksf s ASP 42 N 0.39 6.38 -1.14 2.29 2.15 -1.26 -4.56 116.67 120.92 3ksf s ASP 42 Ca -0.07 0.62 -0.03 0.00 0.43 0.00 0.00 52.55 53.50 3ksf s ASP 42 Cb -0.15 -2.10 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 3ksf s ASP 42 CO 0.04 -0.25 0.94 0.00 -0.17 0.00 0.00 175.17 175.73 3ksf n GLN 43 N -1.30 -4.40 -4.10 4.34 1.13 -1.26 -4.87 117.38 106.92 3ksf n GLN 43 Ca -0.03 0.83 -0.12 0.00 -1.94 0.00 0.00 57.00 55.75 3ksf n GLN 43 Cb 0.55 -5.76 -0.11 0.00 0.11 0.00 0.00 30.24 25.03 3ksf n GLN 43 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3ksf s ILE 44 N -3.40 0.59 -0.02 5.09 -4.36 -1.26 -4.40 121.20 113.44 3ksf s ILE 44 Ca 0.22 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 3ksf s ILE 44 Cb -0.03 -1.03 -0.01 0.00 1.25 0.00 0.00 42.46 42.63 3ksf s ILE 44 CO 0.74 -0.58 0.03 -0.46 0.24 0.00 0.00 174.94 174.91 3ksf n ASN 45 N 0.86 2.30 -3.70 4.36 6.94 -0.21 -4.78 115.26 121.03 3ksf n ASN 45 Ca -0.19 -0.27 -0.13 0.00 -0.02 0.00 0.00 54.58 53.97 3ksf n ASN 45 Cb 0.57 1.02 -0.09 0.00 -2.36 0.00 0.00 39.78 38.92 3ksf n ASN 45 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 3ksf s TRP 46 N -1.55 -0.58 -0.15 -2.53 -0.00 -1.17 -4.67 118.94 108.28 3ksf s TRP 46 Ca 0.00 1.38 -0.06 0.00 -0.00 0.00 0.00 56.10 57.42 3ksf s TRP 46 Cb 0.01 0.22 0.07 0.00 -0.00 0.00 0.00 33.47 33.77 3ksf s TRP 46 CO 0.04 -0.29 0.32 0.54 -0.00 0.00 0.00 176.95 177.56 3ksf s VAL 47 N 0.48 -0.37 0.00 5.86 0.11 -0.92 -1.72 120.40 123.84 3ksf s VAL 47 Ca -0.02 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 3ksf s VAL 47 Cb -0.04 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 3ksf s VAL 47 CO -0.02 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 3ksf n GLY 48 N 5.04 1.32 3.21 6.54 0.00 -0.28 0.10 105.19 121.12 3ksf n GLY 48 Ca -0.12 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 3ksf n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksf s PHE 49 N -4.38 1.28 -0.02 1.61 0.08 -0.40 -0.60 117.98 115.57 3ksf s PHE 49 Ca 0.00 -0.55 0.05 0.00 0.12 0.00 0.00 56.93 56.54 3ksf s PHE 49 Cb 0.00 -0.69 -0.01 0.00 -0.57 0.00 0.00 43.02 41.75 3ksf s PHE 49 CO 0.00 0.09 -0.16 0.71 -0.10 0.00 0.00 175.22 175.76 3ksf s TYR 50 N -2.00 1.47 -0.04 0.36 1.51 -0.93 0.59 117.35 118.30 3ksf s TYR 50 Ca 0.06 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 3ksf s TYR 50 Cb -0.06 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 3ksf s TYR 50 CO 0.02 -0.04 0.03 -0.51 -1.11 0.00 0.00 175.55 173.94 3ksf s LEU 51 N -0.34 3.68 -0.50 -1.29 1.43 0.42 -1.02 118.68 121.06 3ksf s LEU 51 Ca 0.05 0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 3ksf s LEU 51 Cb -0.07 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3ksf s LEU 51 CO -0.00 0.33 0.98 -0.22 0.23 0.00 0.00 176.35 177.66 3ksf s LEU 52 N -1.30 3.94 -0.03 1.79 2.96 0.13 -0.08 118.68 126.09 3ksf s LEU 52 Ca 0.18 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3ksf s LEU 52 Cb -0.12 -3.11 0.03 0.00 0.50 0.00 0.00 46.19 43.49 3ksf s LEU 52 CO 0.08 -1.17 0.02 -1.61 -1.32 0.00 0.00 176.35 172.34 3ksf s GLU 53 N 4.02 0.13 -1.24 1.98 2.02 0.10 -4.86 118.70 120.85 3ksf s GLU 53 Ca 0.37 0.17 -0.00 0.00 0.02 0.00 0.00 54.97 55.52 3ksf s GLU 53 Cb -0.10 -0.42 -0.00 0.00 0.10 0.00 0.00 34.13 33.71 3ksf s GLU 53 CO 0.25 -0.19 0.88 1.04 0.02 0.00 0.00 175.26 177.26 3ksf n GLN 54 N 4.38 -5.73 -2.39 1.61 6.02 -1.26 -2.74 117.38 117.27 3ksf n GLN 54 Ca -0.23 0.76 -0.18 0.00 -0.01 0.00 0.00 57.00 57.34 3ksf n GLN 54 Cb 0.50 -5.58 -0.01 0.00 1.02 0.00 0.00 30.24 26.17 3ksf n GLN 54 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ksf n ASN 55 N -3.10 -5.28 -3.54 1.08 3.02 -1.26 -4.96 115.26 101.22 3ksf n ASN 55 Ca -0.28 0.06 -0.11 0.00 -0.03 0.00 0.00 54.58 54.21 3ksf n ASN 55 Cb 0.67 -4.42 -0.04 0.00 -0.61 0.00 0.00 39.78 35.38 3ksf n ASN 55 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3ksf s GLU 56 N -5.00 1.15 0.01 3.52 -1.05 -1.11 -4.38 118.70 111.84 3ksf s GLU 56 Ca 0.00 -0.56 -0.18 0.00 -0.15 0.00 0.00 54.97 54.08 3ksf s GLU 56 Cb 0.00 0.52 -0.06 0.00 -0.44 0.00 0.00 34.13 34.15 3ksf s GLU 56 CO 0.00 -0.47 0.51 -0.51 0.95 0.00 0.00 175.26 175.74 3ksf s LEU 57 N -2.70 4.45 -0.08 1.83 1.43 -0.32 -0.72 118.68 122.57 3ksf s LEU 57 Ca 0.01 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 3ksf s LEU 57 Cb 0.00 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3ksf s LEU 57 CO -0.11 0.21 -0.19 -0.63 0.23 0.00 0.00 176.35 175.86 3ksf s ILE 58 N -0.65 1.66 0.19 -0.59 -1.09 0.89 -1.52 121.20 120.09 3ksf s ILE 58 Ca 0.27 -0.79 -0.32 0.00 -2.23 0.00 0.00 60.65 57.58 3ksf s ILE 58 Cb -0.18 -1.46 -0.15 0.00 -1.58 0.00 0.00 42.46 39.09 3ksf s ILE 58 CO 0.16 0.47 1.20 -0.11 -1.23 0.00 0.00 174.94 175.43 3ksf n LEU 59 N 3.59 1.80 0.00 2.97 7.94 -0.22 -0.44 117.00 132.64 3ksf n LEU 59 Ca -0.20 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 3ksf n LEU 59 Cb 0.52 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.22 3ksf n LEU 59 CO 0.27 -1.17 0.00 0.61 -1.11 0.00 0.00 177.39 175.99 3ksf n GLY 60 N 2.03 6.74 3.65 -3.96 0.00 0.20 -4.78 105.19 109.07 3ksf n GLY 60 Ca 0.14 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3ksf n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksf n PRO 61 N 0.00 1.73 -3.68 1.61 -0.02 -1.26 -4.51 135.00 128.87 3ksf n PRO 61 Ca 0.00 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 3ksf n PRO 61 Cb 0.00 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 3ksf n PRO 61 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ksf s PHE 62 N -1.15 -0.32 -0.21 6.00 -0.12 -1.26 -1.27 117.98 119.65 3ksf s PHE 62 Ca 0.59 -0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.45 3ksf s PHE 62 Cb -0.58 0.62 0.03 0.00 -0.63 0.00 0.00 43.02 42.46 3ksf s PHE 62 CO 0.60 -1.06 -0.15 -0.65 -0.05 0.00 0.00 175.22 173.90 3ksf s GLN 63 N -3.85 2.78 0.00 1.99 -1.52 0.11 -4.97 119.66 114.20 3ksf s GLN 63 Ca 0.07 -0.98 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 3ksf s GLN 63 Cb -0.04 -2.72 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 3ksf s GLN 63 CO -0.02 -0.33 0.00 0.41 -0.25 0.00 0.00 175.29 175.10 3ksf n GLY 64 N 4.58 0.45 3.89 3.09 0.00 -1.26 -2.18 105.19 113.75 3ksf n GLY 64 Ca -0.18 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 3ksf n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksf s HIS 65 N -3.14 3.57 0.54 1.61 3.76 -1.26 -5.01 115.29 115.35 3ksf s HIS 65 Ca 0.00 1.06 -0.20 0.00 -0.15 0.00 0.00 55.06 55.77 3ksf s HIS 65 Cb 0.00 -2.50 -0.08 0.00 1.11 0.00 0.00 32.58 31.11 3ksf s HIS 65 CO 0.00 -0.42 0.84 -2.30 -0.85 0.00 0.00 174.74 172.01 3ksf n PRO 66 N -2.31 0.90 -4.31 8.40 -0.02 -1.26 -5.01 135.00 131.39 3ksf n PRO 66 Ca 0.03 0.34 -0.16 0.00 -2.02 0.00 0.00 63.50 61.69 3ksf n PRO 66 Cb 0.54 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 3ksf n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksf s ALA 67 N -1.51 1.69 0.29 3.55 0.00 -1.26 -5.12 121.76 119.40 3ksf s ALA 67 Ca 0.70 -1.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 3ksf s ALA 67 Cb -0.47 0.85 -0.11 0.00 0.00 0.00 0.00 23.12 23.39 3ksf s ALA 67 CO 0.52 -0.40 1.57 0.00 0.00 0.00 0.00 175.76 177.46 3ksf h VAL 69 N 3.39 1.47 -3.32 0.00 2.07 -1.98 -3.42 116.25 114.46 3ksf h VAL 69 Ca -0.47 -1.88 -0.64 0.00 0.82 0.00 0.00 66.70 64.53 3ksf h VAL 69 Cb 1.22 2.54 -0.20 0.00 -1.52 0.00 0.00 31.29 33.33 3ksf h VAL 69 CO 0.79 0.53 -0.65 -1.00 0.02 0.00 0.00 177.57 177.26 3ksf s HIS 70 N -3.36 3.06 -0.20 1.57 3.76 -1.26 -1.05 115.29 117.80 3ksf s HIS 70 Ca -0.15 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3ksf s HIS 70 Cb 0.03 -1.94 0.05 0.00 1.11 0.00 0.00 32.58 31.82 3ksf s HIS 70 CO 0.77 0.05 -0.07 0.42 -0.85 0.00 0.00 174.74 175.06 3ksf s ILE 71 N 0.20 1.45 0.57 0.60 1.01 -0.57 -5.01 121.20 119.45 3ksf s ILE 71 Ca -0.01 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 3ksf s ILE 71 Cb -0.14 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3ksf s ILE 71 CO 0.02 0.07 1.23 -2.84 0.00 0.00 0.00 174.94 173.42 3ksf s PRO 72 N 1.47 3.08 0.24 2.79 0.02 -1.26 -1.17 135.00 140.16 3ksf s PRO 72 Ca -0.02 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 3ksf s PRO 72 Cb -0.17 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 3ksf s PRO 72 CO -0.07 -1.14 1.42 0.42 -0.33 0.00 0.00 177.00 177.30 3ksf s ILE 73 N -1.54 2.75 0.00 2.83 1.01 -1.26 -1.97 121.20 123.02 3ksf s ILE 73 Ca 0.75 0.62 0.00 0.00 0.00 0.00 0.00 60.65 62.03 3ksf s ILE 73 Cb -0.32 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3ksf s ILE 73 CO 0.35 0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3ksf n GLY 74 N 2.22 1.15 3.42 6.18 0.00 0.14 -4.93 105.19 113.37 3ksf n GLY 74 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3ksf n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksf s LYS 75 N -0.38 3.56 0.08 1.61 -0.14 -0.83 -4.45 119.74 119.20 3ksf s LYS 75 Ca 0.00 -0.55 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 3ksf s LYS 75 Cb 0.00 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.14 3ksf s LYS 75 CO 0.00 0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.02 3ksf n GLY 76 N 4.19 -1.88 0.24 -3.33 0.00 -1.26 -2.09 105.19 101.06 3ksf n GLY 76 Ca -0.17 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 3ksf n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ksf h VAL 77 N -0.26 0.94 -0.15 1.61 2.07 -1.90 0.29 116.25 118.85 3ksf h VAL 77 Ca -0.01 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3ksf h VAL 77 Cb 0.25 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3ksf h VAL 77 CO 0.01 0.11 0.01 0.00 0.02 0.00 0.00 177.57 177.72 3ksf h GLY 79 N 0.01 0.13 2.00 0.00 0.00 -1.16 -2.22 103.07 101.84 3ksf h GLY 79 Ca 0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 3ksf h GLY 79 CO 0.00 0.08 -0.60 -0.84 0.00 0.00 0.00 176.54 175.18 3ksf h THR 80 N 0.12 1.24 -0.18 4.70 2.02 -0.84 0.44 112.91 120.40 3ksf h THR 80 Ca 0.02 -2.20 -0.05 0.00 0.77 0.00 0.00 66.41 64.95 3ksf h THR 80 Cb 0.43 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3ksf h THR 80 CO 0.03 0.59 -0.10 0.00 0.37 0.00 0.00 175.52 176.41 3ksf h ALA 81 N 1.40 1.50 0.01 6.16 0.00 -0.71 0.78 119.26 128.39 3ksf h ALA 81 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ksf h ALA 81 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ksf h ALA 81 CO 0.08 0.36 -0.06 0.28 0.00 0.00 0.00 179.25 179.91 3ksf h VAL 82 N 0.27 1.77 -0.42 0.00 2.07 -1.33 -1.45 116.25 117.16 3ksf h VAL 82 Ca 0.06 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.26 3ksf h VAL 82 Cb 0.35 3.37 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 3ksf h VAL 82 CO 0.02 0.61 0.22 0.77 0.02 0.00 0.00 177.57 179.20 3ksf h SER 83 N -0.98 0.32 1.26 0.57 4.64 -1.05 -2.05 113.55 116.25 3ksf h SER 83 Ca -0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ksf h SER 83 Cb 1.03 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3ksf h SER 83 CO 0.00 0.23 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.39 3ksf n GLU 84 N -4.91 0.24 -3.42 4.77 1.02 0.26 -4.93 120.64 113.67 3ksf n GLU 84 Ca 0.02 0.16 -0.24 0.00 -0.02 0.00 0.00 57.16 57.08 3ksf n GLU 84 Cb 0.10 -1.74 0.05 0.00 -0.02 0.00 0.00 31.44 29.82 3ksf n GLU 84 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ksf n ARG 85 N -2.15 -5.95 -3.82 3.49 1.74 -0.58 -4.98 116.66 104.40 3ksf n ARG 85 Ca 0.05 0.78 -0.11 0.00 -0.77 0.00 0.00 57.85 57.81 3ksf n ARG 85 Cb 0.42 -5.71 -0.08 0.00 -1.02 0.00 0.00 32.46 26.08 3ksf n ARG 85 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3ksf s ARG 86 N -6.12 0.73 0.32 5.56 1.70 -0.98 -5.03 118.95 115.13 3ksf s ARG 86 Ca 0.48 -0.62 -0.29 0.00 -0.47 0.00 0.00 55.73 54.83 3ksf s ARG 86 Cb -0.22 0.30 -0.11 0.00 -0.57 0.00 0.00 34.95 34.36 3ksf s ARG 86 CO 0.59 -0.22 1.45 0.99 -1.08 0.00 0.00 175.30 177.03 3ksf s THR 87 N -2.62 2.38 -0.21 4.99 2.01 -1.26 -4.49 115.64 116.44 3ksf s THR 87 Ca -0.05 0.36 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 3ksf s THR 87 Cb -0.01 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 3ksf s THR 87 CO -0.04 0.07 -0.03 -1.10 -0.69 0.00 0.00 174.62 172.83 3ksf s GLN 88 N -1.26 3.48 -0.29 4.92 -1.52 0.11 -4.96 119.66 120.14 3ksf s GLN 88 Ca 0.55 -0.58 0.01 0.00 -1.95 0.00 0.00 55.36 53.39 3ksf s GLN 88 Cb -0.44 -3.03 0.06 0.00 -0.22 0.00 0.00 33.01 29.39 3ksf s GLN 88 CO 0.52 -0.09 -0.04 0.08 -0.25 0.00 0.00 175.29 175.51 3ksf s VAL 89 N 1.24 2.55 -0.22 1.09 1.01 -1.26 -0.73 120.40 124.08 3ksf s VAL 89 Ca 0.03 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 3ksf s VAL 89 Cb -0.14 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3ksf s VAL 89 CO -0.00 -0.15 0.01 -0.69 0.00 0.00 0.00 175.10 174.26 3ksf s VAL 90 N 1.14 3.85 -0.32 2.92 1.01 0.16 -4.98 120.40 124.19 3ksf s VAL 90 Ca -0.05 -0.33 0.20 0.00 0.00 0.00 0.00 61.98 61.80 3ksf s VAL 90 Cb -0.20 -2.77 0.20 0.00 0.00 0.00 0.00 36.38 33.61 3ksf s VAL 90 CO -0.04 0.40 1.45 0.00 0.00 0.00 0.00 175.10 176.91 3ksf h ALA 91 N 7.92 0.83 -1.43 5.51 0.00 -1.88 -0.77 119.26 129.44 3ksf h ALA 91 Ca -0.38 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 3ksf h ALA 91 Cb 1.17 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.70 3ksf h ALA 91 CO 0.60 0.22 -0.47 0.34 0.00 0.00 0.00 179.25 179.94 3ksf s ASP 92 N -6.15 -0.42 0.65 0.00 3.68 -1.25 -0.67 116.67 112.52 3ksf s ASP 92 Ca 0.05 -0.11 0.40 0.00 2.13 0.00 0.00 52.55 55.02 3ksf s ASP 92 Cb 0.06 1.48 2.26 0.00 -1.45 0.00 0.00 42.92 45.27 3ksf s ASP 92 CO 0.71 -0.33 2.34 -0.37 0.13 0.00 0.00 175.17 177.66 3ksf h VAL 93 N 6.10 0.16 0.00 1.11 -1.51 -1.33 -0.38 116.25 120.40 3ksf h VAL 93 Ca -0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 3ksf h VAL 93 Cb 1.15 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3ksf h VAL 93 CO 0.22 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.97 3ksf n HIS 94 N -3.32 0.79 -0.23 5.19 8.25 -1.26 -1.80 115.22 122.84 3ksf n HIS 94 Ca -0.03 0.30 0.11 0.00 -0.26 0.00 0.00 57.72 57.84 3ksf n HIS 94 Cb 0.07 -0.99 0.27 0.00 1.12 0.00 0.00 29.99 30.47 3ksf n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ksf n GLN 95 N -2.21 2.69 -3.36 -0.41 1.13 -0.15 -4.95 117.38 110.12 3ksf n GLN 95 Ca 0.03 -2.48 -0.38 0.00 -1.94 0.00 0.00 57.00 52.22 3ksf n GLN 95 Cb 0.25 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 3ksf n GLN 95 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3ksf s PHE 96 N -1.06 3.53 -0.12 1.08 2.19 -0.74 -5.01 117.98 117.84 3ksf s PHE 96 Ca 0.43 0.86 -0.39 0.00 0.33 0.00 0.00 56.93 58.15 3ksf s PHE 96 Cb 0.23 -2.50 -0.17 0.00 -1.31 0.00 0.00 43.02 39.27 3ksf s PHE 96 CO 0.30 0.22 1.51 1.17 1.83 0.00 0.00 175.22 180.25 3ksf n LYS 97 N 3.48 0.95 -3.80 10.12 4.81 -1.26 -2.21 118.16 130.25 3ksf n LYS 97 Ca -0.08 0.35 -0.30 0.00 -0.87 0.00 0.00 58.31 57.40 3ksf n LYS 97 Cb 0.52 -1.98 0.01 0.00 0.02 0.00 0.00 35.03 33.60 3ksf n LYS 97 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ksf n GLY 98 N 3.25 -1.11 3.72 3.14 0.00 -1.26 -4.69 105.19 108.24 3ksf n GLY 98 Ca 0.23 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 46.32 3ksf n GLY 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ksf s HIS 99 N -3.24 3.13 -0.89 1.61 2.46 -0.94 -4.19 115.29 113.23 3ksf s HIS 99 Ca 0.23 0.74 -0.01 0.00 0.47 0.00 0.00 55.06 56.50 3ksf s HIS 99 Cb -0.11 -3.84 0.22 0.00 -0.13 0.00 0.00 32.58 28.71 3ksf s HIS 99 CO 0.90 -3.05 0.77 0.44 -2.47 0.00 0.00 174.74 171.33 3ksf n ILE 100 N 3.95 2.94 -3.65 0.89 -5.35 -1.26 -5.01 119.36 111.88 3ksf n ILE 100 Ca 0.13 -5.11 -0.08 0.00 -0.27 0.00 0.00 62.75 57.42 3ksf n ILE 100 Cb 0.40 -2.36 -0.07 0.00 -1.74 0.00 0.00 39.64 35.87 3ksf n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ksf s ALA 101 N -1.43 -1.77 -0.24 -1.28 0.00 -1.26 -4.96 121.76 110.81 3ksf s ALA 101 Ca 0.28 2.30 0.13 0.00 0.00 0.00 0.00 51.96 54.68 3ksf s ALA 101 Cb -0.06 -1.36 0.60 0.00 0.00 0.00 0.00 23.12 22.30 3ksf s ALA 101 CO -0.13 -0.36 1.55 0.00 0.00 0.00 0.00 175.76 176.81 3ksf s ASP 103 N -1.77 6.33 0.53 0.00 -1.08 -1.26 -4.94 116.67 114.48 3ksf s ASP 103 Ca 0.47 -0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 3ksf s ASP 103 Cb 0.38 -2.28 1.47 0.00 -1.46 0.00 0.00 42.92 41.04 3ksf s ASP 103 CO 0.09 -0.50 2.11 0.00 0.52 0.00 0.00 175.17 177.38 3ksf h ALA 104 N 8.47 1.44 -0.62 3.66 0.00 -2.04 -2.75 119.26 127.42 3ksf h ALA 104 Ca -0.28 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 3ksf h ALA 104 Cb 1.12 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 3ksf h ALA 104 CO 0.78 0.12 0.22 0.09 0.00 0.00 0.00 179.25 180.46 3ksf n ASN 105 N -3.83 3.86 -4.22 0.00 3.02 -1.26 -4.82 115.26 108.01 3ksf n ASN 105 Ca -0.02 -3.41 -0.41 0.00 -0.03 0.00 0.00 54.58 50.71 3ksf n ASN 105 Cb 0.19 -0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 38.57 3ksf n ASN 105 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ksf s SER 106 N -1.62 5.68 -0.12 6.41 0.15 -1.04 -3.45 113.70 119.71 3ksf s SER 106 Ca 0.51 -1.85 0.00 0.00 0.70 0.00 0.00 55.95 55.31 3ksf s SER 106 Cb 0.43 -2.00 -0.07 0.00 -1.71 0.00 0.00 66.02 62.66 3ksf s SER 106 CO 0.09 -0.67 -0.11 0.29 1.20 0.00 0.00 173.24 174.04 3ksf n LYS 107 N 4.90 0.29 -4.19 5.44 4.76 0.34 -4.79 118.16 124.90 3ksf n LYS 107 Ca -0.08 0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.25 3ksf n LYS 107 Cb 0.41 -1.21 -0.12 0.00 -1.84 0.00 0.00 35.03 32.27 3ksf n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ksf s SER 108 N -5.18 1.75 0.05 4.39 1.04 -1.01 -0.99 113.70 113.76 3ksf s SER 108 Ca -0.16 -0.66 -0.17 0.00 0.48 0.00 0.00 55.95 55.44 3ksf s SER 108 Cb 0.04 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3ksf s SER 108 CO 0.26 -0.09 0.39 -0.70 0.98 0.00 0.00 173.24 174.08 3ksf s GLU 109 N -1.95 0.90 -0.02 4.02 2.12 -0.29 0.11 118.70 123.60 3ksf s GLU 109 Ca 0.00 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.92 3ksf s GLU 109 Cb -0.09 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.72 3ksf s GLU 109 CO 0.02 -0.31 0.01 -1.50 -0.54 0.00 0.00 175.26 172.95 3ksf s ILE 110 N -2.57 0.03 -0.08 -3.70 2.07 -0.03 0.37 121.20 117.30 3ksf s ILE 110 Ca -0.05 0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 3ksf s ILE 110 Cb -0.01 -0.12 0.02 0.00 0.13 0.00 0.00 42.46 42.48 3ksf s ILE 110 CO -0.03 0.08 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.28 3ksf s VAL 111 N 0.71 1.09 -0.20 4.00 1.01 0.10 -1.47 120.40 125.65 3ksf s VAL 111 Ca -0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3ksf s VAL 111 Cb -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3ksf s VAL 111 CO -0.02 0.36 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 3ksf s VAL 112 N 1.00 2.74 0.48 2.92 1.01 -0.05 -0.71 120.40 127.77 3ksf s VAL 112 Ca -0.08 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 3ksf s VAL 112 Cb -0.15 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 3ksf s VAL 112 CO -0.00 0.48 1.18 -2.16 0.00 0.00 0.00 175.10 174.60 3ksf s PRO 113 N 1.33 3.65 -0.15 2.72 0.04 -1.26 -0.48 135.00 140.84 3ksf s PRO 113 Ca 0.04 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 3ksf s PRO 113 Cb -0.14 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3ksf s PRO 113 CO -0.07 -0.65 -0.05 0.42 0.04 0.00 0.00 177.00 176.69 3ksf s ILE 114 N -1.53 3.78 0.14 0.56 1.01 0.79 -4.87 121.20 121.07 3ksf s ILE 114 Ca 0.65 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.98 3ksf s ILE 114 Cb -0.30 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3ksf s ILE 114 CO 0.36 0.50 -0.08 -0.36 0.00 0.00 0.00 174.94 175.35 3ksf s PHE 115 N 0.37 2.73 -0.14 3.97 0.40 -1.26 -0.86 117.98 123.19 3ksf s PHE 115 Ca -0.05 -0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 56.06 3ksf s PHE 115 Cb -0.14 -1.38 0.07 0.00 0.51 0.00 0.00 43.02 42.07 3ksf s PHE 115 CO 0.03 0.47 0.29 0.21 0.70 0.00 0.00 175.22 176.92 3ksf s LYS 116 N -2.51 0.18 -1.48 0.44 2.20 -0.57 -4.80 119.74 113.19 3ksf s LYS 116 Ca 0.23 0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 56.50 3ksf s LYS 116 Cb -0.10 -0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.26 3ksf s LYS 116 CO 0.15 -0.30 1.01 -0.25 -0.36 0.00 0.00 175.35 175.60 3ksf n ASP 117 N 5.36 -4.84 -1.26 1.43 8.00 -1.26 -1.61 116.55 122.37 3ksf n ASP 117 Ca -0.06 -0.73 -0.16 0.00 0.71 0.00 0.00 54.79 54.54 3ksf n ASP 117 Cb 0.50 -4.15 -0.07 0.00 -0.02 0.00 0.00 41.12 37.38 3ksf n ASP 117 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ksf n ASP 118 N -2.89 -5.24 -4.30 -2.24 8.00 -1.26 -4.98 116.55 103.64 3ksf n ASP 118 Ca 0.01 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.61 3ksf n ASP 118 Cb 0.55 -4.18 -0.16 0.00 -0.02 0.00 0.00 41.12 37.30 3ksf n ASP 118 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ksf s LYS 119 N -3.36 2.12 0.02 -1.24 1.02 -0.63 -5.09 119.74 112.57 3ksf s LYS 119 Ca 0.00 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 3ksf s LYS 119 Cb 0.00 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 35.24 3ksf s LYS 119 CO 0.00 0.53 1.34 0.42 -0.92 0.00 0.00 175.35 176.71 3ksf s ILE 120 N -0.54 3.78 -0.46 2.17 1.01 -1.26 -1.52 121.20 124.38 3ksf s ILE 120 Ca 0.08 1.20 0.07 0.00 0.00 0.00 0.00 60.65 62.00 3ksf s ILE 120 Cb -0.10 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3ksf s ILE 120 CO -0.00 0.03 0.39 2.30 0.00 0.00 0.00 174.94 177.65 3ksf n ILE 121 N 4.43 0.00 -2.87 2.92 -5.35 -0.04 -4.85 119.36 113.61 3ksf n ILE 121 Ca 0.12 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3ksf n ILE 121 Cb 0.44 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 3ksf n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksf n GLY 122 N 0.97 -1.38 3.15 3.28 0.00 -1.22 -0.69 105.19 109.30 3ksf n GLY 122 Ca 0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 3ksf n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksf s VAL 123 N -2.85 0.12 -0.21 1.61 -7.23 -0.19 -0.15 120.40 111.50 3ksf s VAL 123 Ca 0.00 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.13 3ksf s VAL 123 Cb 0.00 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 3ksf s VAL 123 CO 0.00 -0.53 0.10 -0.22 -0.31 0.00 0.00 175.10 174.14 3ksf s LEU 124 N -2.06 3.88 -0.10 1.32 2.96 0.36 -2.20 118.68 122.83 3ksf s LEU 124 Ca -0.06 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3ksf s LEU 124 Cb -0.01 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3ksf s LEU 124 CO -0.04 0.11 -0.16 -0.62 -1.32 0.00 0.00 176.35 174.32 3ksf s ASP 125 N 0.76 2.46 -0.04 3.68 2.15 0.23 -0.88 116.67 125.03 3ksf s ASP 125 Ca 0.05 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.60 3ksf s ASP 125 Cb -0.13 -1.11 0.03 0.00 -0.30 0.00 0.00 42.92 41.40 3ksf s ASP 125 CO 0.02 0.04 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.41 3ksf s ILE 126 N 0.86 0.33 0.22 4.11 1.01 -0.54 -1.13 121.20 126.06 3ksf s ILE 126 Ca -0.09 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.65 3ksf s ILE 126 Cb -0.15 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 3ksf s ILE 126 CO 0.00 0.19 -0.12 1.51 0.00 0.00 0.00 174.94 176.53 3ksf s ASP 127 N 1.16 2.56 0.15 3.58 3.84 -0.70 -0.85 116.67 126.40 3ksf s ASP 127 Ca -0.08 -1.06 0.05 0.00 -0.00 0.00 0.00 52.55 51.46 3ksf s ASP 127 Cb -0.14 -0.13 -0.04 0.00 -1.38 0.00 0.00 42.92 41.23 3ksf s ASP 127 CO -0.02 -0.22 -0.11 0.00 -0.00 0.00 0.00 175.17 174.82 3ksf s ALA 128 N -3.01 1.47 -2.03 2.11 0.00 0.12 -1.04 121.76 119.37 3ksf s ALA 128 Ca 0.24 -1.48 0.24 0.00 0.00 0.00 0.00 51.96 50.96 3ksf s ALA 128 Cb 0.01 0.03 1.39 0.00 0.00 0.00 0.00 23.12 24.54 3ksf s ALA 128 CO 0.08 -0.08 1.90 -0.35 0.00 0.00 0.00 175.76 177.31 3ksf n PRO 129 N -0.15 1.06 -4.39 0.00 -0.04 -1.22 -0.51 135.00 129.75 3ksf n PRO 129 Ca -0.11 -0.09 -0.20 0.00 -0.04 0.00 0.00 63.50 63.06 3ksf n PRO 129 Cb 0.60 -1.38 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 3ksf n PRO 129 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ksf s ILE 130 N -1.99 1.52 0.53 0.52 -4.36 -1.26 -4.75 121.20 111.41 3ksf s ILE 130 Ca 0.36 -2.12 -0.07 0.00 -0.26 0.00 0.00 60.65 58.56 3ksf s ILE 130 Cb 0.17 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 3ksf s ILE 130 CO 0.28 -0.37 0.86 0.42 0.24 0.00 0.00 174.94 176.37 3ksf s THR 131 N -3.10 4.72 -1.42 8.37 -4.23 -1.26 -3.03 115.64 115.69 3ksf s THR 131 Ca 0.28 0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 61.00 3ksf s THR 131 Cb 0.03 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 70.17 3ksf s THR 131 CO 0.10 -0.88 0.60 0.47 -0.54 0.00 0.00 174.62 174.37 3ksf n ASP 132 N -2.42 -3.30 -0.23 3.99 9.92 0.16 -4.85 116.55 119.82 3ksf n ASP 132 Ca 0.02 -0.65 -0.07 0.00 -0.53 0.00 0.00 54.79 53.57 3ksf n ASP 132 Cb 0.55 -2.73 0.07 0.00 -0.64 0.00 0.00 41.12 38.37 3ksf n ASP 132 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3ksf h ARG 133 N -1.13 1.09 -5.03 -1.24 9.65 -1.84 -3.42 114.38 112.46 3ksf h ARG 133 Ca -0.48 -0.26 -0.64 0.00 -1.10 0.00 0.00 59.98 57.50 3ksf h ARG 133 Cb 1.32 -0.14 -0.19 0.00 -1.39 0.00 0.00 29.97 29.56 3ksf h ARG 133 CO 0.63 0.97 -0.58 -0.06 2.80 0.00 0.00 179.97 183.72 3ksf s PHE 134 N -5.27 3.16 0.37 2.20 0.08 -1.26 -5.05 117.98 112.22 3ksf s PHE 134 Ca -0.12 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 56.82 3ksf s PHE 134 Cb 0.15 -2.23 0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3ksf s PHE 134 CO 0.84 -0.17 0.35 -0.40 -0.10 0.00 0.00 175.22 175.75 3ksf n ASP 135 N 4.57 1.92 -0.20 1.36 5.68 -1.26 -4.91 116.55 123.72 3ksf n ASP 135 Ca -0.16 -2.18 0.06 0.00 -0.50 0.00 0.00 54.79 52.01 3ksf n ASP 135 Cb 0.52 -0.11 0.33 0.00 -1.14 0.00 0.00 41.12 40.72 3ksf n ASP 135 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ksf h ASP 136 N 0.32 0.70 0.14 -1.12 3.32 -1.99 -1.66 116.42 116.13 3ksf h ASP 136 Ca -0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3ksf h ASP 136 Cb 0.84 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3ksf h ASP 136 CO 0.33 0.46 -0.07 -1.13 -1.72 0.00 0.00 179.24 177.11 3ksf h ASN 137 N 0.80 -0.16 -0.59 6.45 -0.00 -2.00 -1.02 115.58 119.06 3ksf h ASN 137 Ca 0.32 0.00 0.07 0.00 -0.00 0.00 0.00 56.30 56.69 3ksf h ASN 137 Cb 0.23 0.04 -0.06 0.00 -0.00 0.00 0.00 38.32 38.53 3ksf h ASN 137 CO -0.11 -0.11 0.28 0.44 -0.00 0.00 0.00 177.43 177.93 3ksf h ASP 138 N -0.20 0.37 -0.05 1.15 3.32 -1.80 -1.98 116.42 117.24 3ksf h ASP 138 Ca -0.02 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3ksf h ASP 138 Cb 0.15 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3ksf h ASP 138 CO 0.03 0.24 -0.21 0.50 -1.72 0.00 0.00 179.24 178.08 3ksf h LYS 139 N 0.52 -0.29 0.15 3.56 3.64 -0.93 0.10 116.57 123.32 3ksf h LYS 139 Ca 0.28 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3ksf h LYS 139 Cb 0.25 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3ksf h LYS 139 CO -0.22 -0.20 -0.24 1.49 -2.27 0.00 0.00 179.45 178.01 3ksf h GLU 140 N -0.31 -0.45 0.00 1.90 4.81 -0.75 -1.38 114.58 118.41 3ksf h GLU 140 Ca 0.07 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3ksf h GLU 140 Cb 0.41 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3ksf h GLU 140 CO -0.23 -0.30 -0.38 0.45 -0.73 0.00 0.00 179.01 177.82 3ksf h HIS 141 N -0.47 0.00 0.00 0.92 3.86 -1.18 -1.93 115.15 116.35 3ksf h HIS 141 Ca 0.02 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 3ksf h HIS 141 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3ksf h HIS 141 CO -0.21 0.38 -0.87 -0.07 0.86 0.00 0.00 177.93 178.03 3ksf h LEU 142 N 0.00 0.25 -0.76 2.43 3.38 -0.69 -1.30 115.31 118.63 3ksf h LEU 142 Ca -0.00 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 3ksf h LEU 142 Cb 0.72 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3ksf h LEU 142 CO 0.05 1.00 -0.50 -0.33 0.09 0.00 0.00 178.44 178.75 3ksf h GLU 143 N 0.11 0.31 -0.25 1.13 5.08 -0.99 0.35 114.58 120.32 3ksf h GLU 143 Ca -0.04 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 3ksf h GLU 143 Cb 1.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3ksf h GLU 143 CO 0.13 0.74 -0.48 0.00 -1.00 0.00 0.00 179.01 178.41 3ksf h ALA 144 N 1.23 0.69 -0.29 3.43 0.00 -1.25 -1.54 119.26 121.53 3ksf h ALA 144 Ca 0.01 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 3ksf h ALA 144 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3ksf h ALA 144 CO 0.08 0.67 -0.29 0.82 0.00 0.00 0.00 179.25 180.53 3ksf h ILE 145 N 0.53 1.28 -0.56 0.00 2.04 -0.86 -1.90 117.51 118.04 3ksf h ILE 145 Ca 0.03 -1.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 3ksf h ILE 145 Cb 1.03 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3ksf h ILE 145 CO 0.10 0.45 0.02 0.58 0.00 0.00 0.00 178.15 179.30 3ksf h VAL 146 N 0.51 1.26 0.00 1.67 2.07 -0.70 -2.05 116.25 119.01 3ksf h VAL 146 Ca 0.06 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.46 3ksf h VAL 146 Cb 0.76 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3ksf h VAL 146 CO 0.06 0.38 -0.29 0.11 0.02 0.00 0.00 177.57 177.86 3ksf h LYS 147 N 0.88 0.00 -0.42 1.57 1.57 -0.90 0.16 116.57 119.44 3ksf h LYS 147 Ca 0.17 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3ksf h LYS 147 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3ksf h LYS 147 CO 0.02 0.29 -0.09 0.82 -0.57 0.00 0.00 179.45 179.92 3ksf h ILE 148 N 0.00 1.25 -0.25 1.86 2.04 -0.66 -1.51 117.51 120.24 3ksf h ILE 148 Ca -0.00 -1.10 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 3ksf h ILE 148 Cb 0.54 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3ksf h ILE 148 CO 0.04 0.38 -0.23 0.40 0.00 0.00 0.00 178.15 178.74 3ksf h ILE 149 N 0.66 1.31 -0.20 -0.67 2.04 -0.85 -3.01 117.51 116.79 3ksf h ILE 149 Ca 0.12 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.63 3ksf h ILE 149 Cb 0.54 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3ksf h ILE 149 CO 0.03 0.43 0.14 -0.33 0.00 0.00 0.00 178.15 178.42 3ksf h GLU 150 N 0.31 0.13 -0.40 2.37 5.08 -0.70 -1.57 114.58 119.81 3ksf h GLU 150 Ca 0.04 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3ksf h GLU 150 Cb 0.78 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3ksf h GLU 150 CO 0.06 0.08 0.07 -0.22 -1.00 0.00 0.00 179.01 178.01 3ksf h LYS 151 N 0.13 0.59 0.00 2.33 3.64 -1.14 0.20 116.57 122.32 3ksf h LYS 151 Ca 0.09 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3ksf h LYS 151 Cb 0.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ksf h LYS 151 CO -0.01 0.56 -0.68 1.96 -2.27 0.00 0.00 179.45 179.01 3ksf h GLN 152 N 0.58 0.00 0.00 1.90 1.08 -1.35 -3.30 115.11 114.02 3ksf h GLN 152 Ca 0.13 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3ksf h GLN 152 Cb 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3ksf h GLN 152 CO 0.00 0.29 -0.84 -0.07 -0.95 0.00 0.00 178.83 177.26 3ksf h LEU 153 N 0.00 0.00 0.00 1.46 3.38 -1.01 -3.41 115.31 115.73 3ksf h LEU 153 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ksf h LEU 153 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3ksf h LEU 153 CO 0.04 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.67