#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 4.23 -0.16 12.58 -1.09 -1.26 -5.04 121.20 130.46 3ksf s ILE 4 Ca 0.00 -1.45 -0.35 0.00 -2.23 0.00 0.00 60.65 56.62 3ksf s ILE 4 Cb 0.00 -3.25 -0.12 0.00 -1.58 0.00 0.00 42.46 37.50 3ksf s ILE 4 CO 0.00 -0.31 1.90 -3.20 -1.23 0.00 0.00 174.94 172.11 3ksf n ASN 5 N -0.95 3.12 -4.66 3.58 2.85 -1.26 -4.84 115.26 113.11 3ksf n ASN 5 Ca -0.08 0.91 -0.49 0.00 -0.11 0.00 0.00 54.58 54.81 3ksf n ASN 5 Cb 0.57 -1.32 -0.05 0.00 1.24 0.00 0.00 39.78 40.22 3ksf n ASN 5 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3ksf n PRO 6 N 6.68 1.90 -3.39 1.20 -0.02 -1.26 -4.65 135.00 135.46 3ksf n PRO 6 Ca 0.26 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 62.04 3ksf n PRO 6 Cb 0.26 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 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 1.91 5.08 -1.05 3.45 2.01 -1.26 -5.01 115.64 120.78 3ksf s THR 7 Ca 0.85 0.93 -0.13 0.00 0.31 0.00 0.00 61.69 63.65 3ksf s THR 7 Cb -0.76 -3.78 0.22 0.00 0.01 0.00 0.00 72.50 68.18 3ksf s THR 7 CO 0.45 0.45 1.12 0.21 -0.69 0.00 0.00 174.62 176.16 3ksf s ASN 8 N -0.19 7.04 0.40 3.53 3.04 -1.26 -4.86 114.94 122.63 3ksf s ASN 8 Ca 0.25 -3.02 0.12 0.00 0.04 0.00 0.00 52.86 50.25 3ksf s ASN 8 Cb -0.16 -2.29 0.83 0.00 -1.54 0.00 0.00 41.25 38.09 3ksf s ASN 8 CO 0.12 -0.58 1.90 1.88 -3.04 0.00 0.00 177.10 177.38 3ksf h TYR 9 N 7.35 0.07 -0.63 0.43 0.05 -1.96 -1.39 116.97 120.89 3ksf h TYR 9 Ca 0.20 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 3ksf h TYR 9 Cb 0.93 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.63 3ksf h TYR 9 CO 0.97 0.31 0.19 1.15 -1.05 0.00 0.00 178.16 179.73 3ksf h THR 10 N 0.06 1.25 -0.16 -2.88 2.02 -2.00 0.13 112.91 111.33 3ksf h THR 10 Ca 0.01 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 3ksf h THR 10 Cb 0.48 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3ksf h THR 10 CO 0.03 0.33 -0.16 0.25 0.37 0.00 0.00 175.52 176.34 3ksf h LEU 11 N 0.91 0.42 -0.92 2.58 5.85 -1.90 -2.60 115.31 119.65 3ksf h LEU 11 Ca 0.20 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.50 3ksf h LEU 11 Cb 0.31 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3ksf h LEU 11 CO -0.00 0.81 0.58 0.25 -0.34 0.00 0.00 178.44 179.74 3ksf h LEU 12 N 0.03 0.93 -0.66 2.25 5.85 -1.09 0.11 115.31 122.72 3ksf h LEU 12 Ca 0.02 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3ksf h LEU 12 Cb 0.70 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3ksf h LEU 12 CO 0.04 0.60 -0.03 0.11 -0.34 0.00 0.00 178.44 178.83 3ksf h LYS 13 N 1.07 1.01 -0.39 1.25 1.57 -0.95 0.48 116.57 120.62 3ksf h LYS 13 Ca 0.39 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3ksf h LYS 13 Cb 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3ksf h LYS 13 CO -0.16 1.01 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.49 3ksf h LYS 14 N 0.92 0.70 -0.59 3.15 3.64 -0.96 -2.15 116.57 121.27 3ksf h LYS 14 Ca 0.16 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 3ksf h LYS 14 Cb 0.57 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3ksf h LYS 14 CO 0.03 0.81 0.03 1.96 -2.27 0.00 0.00 179.45 180.01 3ksf h GLN 15 N 0.52 1.01 -0.11 1.90 4.20 -0.64 -1.98 115.11 120.00 3ksf h GLN 15 Ca 0.11 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 3ksf h GLN 15 Cb 0.51 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3ksf h GLN 15 CO 0.02 0.97 0.06 0.00 -0.67 0.00 0.00 178.83 179.22 3ksf h ALA 16 N 1.09 0.14 -0.52 3.87 0.00 -0.76 0.23 119.26 123.31 3ksf h ALA 16 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ksf h ALA 16 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ksf h ALA 16 CO 0.02 -0.33 0.29 0.00 0.00 0.00 0.00 179.25 179.24 3ksf h ALA 17 N 0.97 0.67 -0.39 0.00 0.00 -1.30 -2.12 119.26 117.08 3ksf h ALA 17 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ksf h ALA 17 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ksf h ALA 17 CO -0.01 -0.03 0.18 0.77 0.00 0.00 0.00 179.25 180.16 3ksf h SER 18 N 0.57 0.53 -0.63 0.00 0.02 -1.04 -0.80 113.55 112.20 3ksf h SER 18 Ca 0.22 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3ksf h SER 18 Cb 0.07 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 3ksf h SER 18 CO -0.12 0.52 0.34 0.25 -1.14 0.00 0.00 176.83 176.68 3ksf h LEU 19 N 0.49 0.50 -2.60 5.07 5.85 -0.02 -2.99 115.31 121.61 3ksf h LEU 19 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ksf h LEU 19 Cb 0.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3ksf h LEU 19 CO -0.01 0.33 0.00 2.30 -0.34 0.00 0.00 178.44 180.71 3ksf n ILE 20 N -4.81 0.81 -1.65 4.05 -5.35 -0.85 -4.93 119.36 106.63 3ksf n ILE 20 Ca 0.07 -0.91 -0.47 0.00 -0.27 0.00 0.00 62.75 61.18 3ksf n ILE 20 Cb 0.16 0.67 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 3ksf n ILE 20 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3ksf n GLU 21 N 1.26 1.95 -0.89 6.28 2.13 -0.31 -0.89 120.64 130.17 3ksf n GLU 21 Ca 0.19 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.71 3ksf n GLU 21 Cb 0.55 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.82 3ksf n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ksf n ASP 22 N 3.10 -2.56 -4.83 4.31 10.43 -1.26 -4.99 116.55 120.75 3ksf n ASP 22 Ca 0.17 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.20 3ksf n ASP 22 Cb 0.27 -1.68 -0.06 0.00 1.84 0.00 0.00 41.12 41.49 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 -0.79 3.21 0.00 -1.24 0.41 -0.07 -5.00 118.70 115.22 3ksf s GLU 23 Ca 0.00 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.13 3ksf s GLU 23 Cb 0.00 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 3ksf s GLU 23 CO 0.00 0.66 0.00 0.72 -0.49 0.00 0.00 175.26 176.15 3ksf n HIS 24 N 1.06 0.00 -1.95 1.61 8.25 -1.26 -4.84 115.22 118.09 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 31.61 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 -0.38 1.72 0.16 4.41 5.04 -1.26 -4.81 115.29 120.17 3ksf s HIS 25 Ca 0.00 0.64 -0.17 0.00 -1.54 0.00 0.00 55.06 53.99 3ksf s HIS 25 Cb 0.00 -4.10 0.09 0.00 0.04 0.00 0.00 32.58 28.62 3ksf s HIS 25 CO 0.00 -3.04 1.68 1.98 -2.34 0.00 0.00 174.74 173.02 3ksf h MET 26 N 13.31 0.04 -0.69 2.88 4.05 -1.95 -0.82 114.93 131.75 3ksf h MET 26 Ca -0.34 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.02 3ksf h MET 26 Cb 1.18 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 3ksf h MET 26 CO 1.03 0.03 0.21 0.82 0.23 0.00 0.00 176.91 179.23 3ksf h ILE 27 N 0.05 1.25 -0.51 1.77 1.08 -1.99 -0.04 117.51 119.12 3ksf h ILE 27 Ca 0.19 -0.87 -0.10 0.00 -0.39 0.00 0.00 64.86 63.68 3ksf h ILE 27 Cb 0.28 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 3ksf h ILE 27 CO -0.36 0.34 -0.07 0.00 -0.69 0.00 0.00 178.15 177.38 3ksf h ALA 28 N 1.20 0.70 0.04 1.87 0.00 -1.89 -0.95 119.26 120.22 3ksf h ALA 28 Ca 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ksf h ALA 28 Cb 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ksf h ALA 28 CO -0.01 0.57 -0.02 0.82 0.00 0.00 0.00 179.25 180.62 3ksf h ILE 29 N 0.81 0.97 -0.38 0.00 2.04 -0.74 -1.65 117.51 118.57 3ksf h ILE 29 Ca 0.14 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 3ksf h ILE 29 Cb 0.62 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3ksf h ILE 29 CO 0.04 0.01 -0.03 -0.07 0.00 0.00 0.00 178.15 178.10 3ksf h LEU 30 N -0.06 0.57 0.60 1.44 3.38 -0.92 0.19 115.31 120.50 3ksf h LEU 30 Ca -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3ksf h LEU 30 Cb 0.05 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ksf h LEU 30 CO 0.01 0.66 -0.29 0.28 0.09 0.00 0.00 178.44 179.19 3ksf h SER 31 N 0.57 -0.68 -0.76 -0.43 0.02 -0.93 -1.21 113.55 110.12 3ksf h SER 31 Ca 0.12 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3ksf h SER 31 Cb 0.40 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3ksf h SER 31 CO 0.02 -0.38 0.45 0.78 -1.14 0.00 0.00 176.83 176.56 3ksf h ASN 32 N -0.96 0.93 0.07 3.07 4.21 -1.22 -2.40 115.58 119.28 3ksf h ASN 32 Ca -0.08 -0.06 -0.07 0.00 1.21 0.00 0.00 56.30 57.29 3ksf h ASN 32 Cb 0.66 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 3ksf h ASN 32 CO 0.13 0.73 -0.23 0.24 -1.29 0.00 0.00 177.43 177.01 3ksf h MET 33 N 1.07 0.29 -0.45 0.81 2.86 -0.88 -0.91 114.93 117.71 3ksf h MET 33 Ca 0.28 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 3ksf h MET 33 Cb -0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3ksf h MET 33 CO -0.05 0.51 -0.05 0.66 1.06 0.00 0.00 176.91 179.05 3ksf h SER 34 N 0.26 0.75 -0.13 1.22 4.64 -0.71 -1.67 113.55 117.91 3ksf h SER 34 Ca 0.04 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 3ksf h SER 34 Cb 0.56 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ksf h SER 34 CO 0.04 0.84 -0.08 0.00 -0.87 0.00 0.00 176.83 176.76 3ksf h ALA 35 N 1.24 0.18 -0.86 5.18 0.00 -1.20 -1.46 119.26 122.34 3ksf h ALA 35 Ca 0.13 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ksf h ALA 35 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ksf h ALA 35 CO 0.03 0.00 0.56 1.25 0.00 0.00 0.00 179.25 181.09 3ksf h LEU 36 N -0.07 0.99 -0.40 0.00 5.85 -1.06 0.54 115.31 121.15 3ksf h LEU 36 Ca 0.03 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3ksf h LEU 36 Cb 0.57 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3ksf h LEU 36 CO 0.02 0.72 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.71 3ksf h LEU 37 N 1.16 0.76 -0.96 2.25 3.38 -1.30 -2.49 115.31 118.10 3ksf h LEU 37 Ca 0.31 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ksf h LEU 37 Cb -0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3ksf h LEU 37 CO -0.07 0.92 0.39 -1.13 0.09 0.00 0.00 178.44 178.65 3ksf h ASN 38 N 0.58 1.02 1.01 -0.43 -1.24 -0.79 -1.82 115.58 113.90 3ksf h ASN 38 Ca 0.11 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3ksf h ASN 38 Cb 0.57 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.36 3ksf h ASN 38 CO 0.03 0.85 0.00 0.47 -1.29 0.00 0.00 177.43 177.50 3ksf n ASP 39 N -4.32 0.57 0.00 1.15 8.00 0.14 -3.81 116.55 118.28 3ksf n ASP 39 Ca 0.08 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.17 3ksf n ASP 39 Cb 0.13 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 3ksf n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ksf n ASN 40 N -2.08 1.47 -4.12 -2.24 3.02 -0.93 -4.97 115.26 105.41 3ksf n ASN 40 Ca 0.04 -1.60 -0.32 0.00 -0.03 0.00 0.00 54.58 52.67 3ksf n ASN 40 Cb 0.31 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.60 2.07 0.39 3.41 1.43 -0.73 -4.75 118.68 119.89 3ksf s LEU 41 Ca 0.00 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 3ksf s LEU 41 Cb 0.00 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3ksf s LEU 41 CO 0.00 0.01 0.61 -0.62 0.23 0.00 0.00 176.35 176.58 3ksf s ASP 42 N 1.22 6.21 -1.36 2.29 2.15 -1.26 -4.43 116.67 121.48 3ksf s ASP 42 Ca 0.02 0.50 -0.09 0.00 0.43 0.00 0.00 52.55 53.42 3ksf s ASP 42 Cb -0.13 -1.98 0.01 0.00 -0.30 0.00 0.00 42.92 40.52 3ksf s ASP 42 CO -0.10 -0.42 1.17 0.00 -0.17 0.00 0.00 175.17 175.64 3ksf n GLN 43 N -1.92 -7.77 -4.43 4.34 1.13 -1.26 -4.84 117.38 102.62 3ksf n GLN 43 Ca -0.03 0.81 -0.26 0.00 -1.94 0.00 0.00 57.00 55.59 3ksf n GLN 43 Cb 0.56 -5.86 -0.11 0.00 0.11 0.00 0.00 30.24 24.94 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 -3.32 2.47 -0.12 5.09 -4.36 -1.26 -4.37 121.20 115.32 3ksf s ILE 44 Ca 0.57 -2.17 0.08 0.00 -0.26 0.00 0.00 60.65 58.87 3ksf s ILE 44 Cb -0.25 -2.24 -0.14 0.00 1.25 0.00 0.00 42.46 41.08 3ksf s ILE 44 CO 0.74 -0.24 0.00 -3.20 0.24 0.00 0.00 174.94 172.48 3ksf n ASN 45 N -0.14 2.25 -3.67 4.36 5.15 0.62 -4.81 115.26 119.03 3ksf n ASN 45 Ca -0.09 -0.02 -0.12 0.00 -0.60 0.00 0.00 54.58 53.75 3ksf n ASN 45 Cb 0.58 0.57 -0.08 0.00 -0.53 0.00 0.00 39.78 40.32 3ksf n ASN 45 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3ksf s TRP 46 N -2.29 -0.72 -0.07 1.20 -0.00 -1.14 -4.67 118.94 111.25 3ksf s TRP 46 Ca -0.09 1.67 -0.03 0.00 -0.00 0.00 0.00 56.10 57.65 3ksf s TRP 46 Cb 0.04 0.30 0.04 0.00 -0.00 0.00 0.00 33.47 33.85 3ksf s TRP 46 CO 0.45 -0.36 0.13 0.54 -0.00 0.00 0.00 176.95 177.72 3ksf s VAL 47 N 0.66 -0.21 0.00 5.86 0.11 -1.00 -1.48 120.40 124.34 3ksf s VAL 47 Ca -0.03 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 3ksf s VAL 47 Cb -0.05 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 3ksf s VAL 47 CO -0.04 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 3ksf n GLY 48 N 5.25 1.56 3.19 6.54 0.00 0.07 -0.73 105.19 121.08 3ksf n GLY 48 Ca -0.05 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -5.58 1.30 0.08 1.61 0.08 -0.21 -0.04 117.98 115.22 3ksf s PHE 49 Ca 0.00 -0.45 0.09 0.00 0.12 0.00 0.00 56.93 56.69 3ksf s PHE 49 Cb 0.00 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 3ksf s PHE 49 CO 0.00 0.08 -0.24 0.71 -0.10 0.00 0.00 175.22 175.66 3ksf s TYR 50 N -1.24 2.12 0.01 0.36 1.51 -0.95 0.04 117.35 119.20 3ksf s TYR 50 Ca -0.01 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 3ksf s TYR 50 Cb -0.10 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 3ksf s TYR 50 CO 0.03 0.19 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.02 3ksf s LEU 51 N -1.54 2.89 -0.43 -1.29 1.02 0.73 -1.61 118.68 118.44 3ksf s LEU 51 Ca 0.11 -0.26 -0.28 0.00 0.02 0.00 0.00 54.13 53.72 3ksf s LEU 51 Cb -0.10 -1.66 0.02 0.00 0.02 0.00 0.00 46.19 44.48 3ksf s LEU 51 CO 0.03 0.28 1.06 -0.22 0.02 0.00 0.00 176.35 177.53 3ksf s LEU 52 N -1.31 3.80 -0.02 1.79 2.96 -0.52 0.00 118.68 125.40 3ksf s LEU 52 Ca 0.15 0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 54.52 3ksf s LEU 52 Cb -0.11 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.14 3ksf s LEU 52 CO 0.05 -1.09 0.15 -1.61 -1.32 0.00 0.00 176.35 172.53 3ksf s GLU 53 N 4.05 0.41 -1.44 1.98 2.02 0.80 -4.87 118.70 121.64 3ksf s GLU 53 Ca 0.44 -0.22 -0.15 0.00 0.02 0.00 0.00 54.97 55.07 3ksf s GLU 53 Cb -0.09 0.17 0.13 0.00 0.10 0.00 0.00 34.13 34.44 3ksf s GLU 53 CO 0.26 -0.09 0.60 1.04 0.02 0.00 0.00 175.26 177.08 3ksf n GLN 54 N 1.88 -2.90 -2.13 1.61 1.13 -1.26 -0.76 117.38 114.96 3ksf n GLN 54 Ca -0.20 0.35 -0.12 0.00 -1.94 0.00 0.00 57.00 55.09 3ksf n GLN 54 Cb 0.56 -5.03 -0.01 0.00 0.11 0.00 0.00 30.24 25.87 3ksf n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3ksf n ASN 55 N -2.40 -3.99 -3.40 1.08 4.05 -1.26 -5.00 115.26 104.34 3ksf n ASN 55 Ca 0.05 0.03 -0.09 0.00 0.45 0.00 0.00 54.58 55.01 3ksf n ASN 55 Cb 0.50 -3.12 -0.01 0.00 1.23 0.00 0.00 39.78 38.38 3ksf n ASN 55 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3ksf s GLU 56 N -4.42 1.95 -0.20 1.20 -1.05 0.06 -4.55 118.70 111.69 3ksf s GLU 56 Ca 0.00 -1.34 -0.13 0.00 -0.15 0.00 0.00 54.97 53.35 3ksf s GLU 56 Cb 0.00 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.21 3ksf s GLU 56 CO 0.00 -0.88 0.27 -0.51 0.95 0.00 0.00 175.26 175.09 3ksf s LEU 57 N -3.05 4.17 -0.09 1.83 1.43 -0.06 -0.14 118.68 122.77 3ksf s LEU 57 Ca 0.18 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 3ksf s LEU 57 Cb -0.04 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 3ksf s LEU 57 CO 0.11 0.04 -0.18 -0.63 0.23 0.00 0.00 176.35 175.92 3ksf s ILE 58 N 0.93 2.64 0.17 -0.59 -1.09 0.10 -0.93 121.20 122.42 3ksf s ILE 58 Ca 0.14 -0.84 -0.33 0.00 -2.23 0.00 0.00 60.65 57.39 3ksf s ILE 58 Cb -0.13 -2.04 -0.15 0.00 -1.58 0.00 0.00 42.46 38.55 3ksf s ILE 58 CO 0.05 0.55 1.24 -0.11 -1.23 0.00 0.00 174.94 175.44 3ksf n LEU 59 N 3.15 1.87 0.00 2.97 7.94 0.02 -0.19 117.00 132.75 3ksf n LEU 59 Ca -0.18 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3ksf n LEU 59 Cb 0.52 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.22 3ksf n LEU 59 CO 0.28 -1.09 0.00 0.61 -1.11 0.00 0.00 177.39 176.08 3ksf n GLY 60 N 2.15 5.56 3.63 -3.96 0.00 0.11 -4.77 105.19 107.91 3ksf n GLY 60 Ca 0.15 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 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 1.62 -3.66 1.61 -0.02 -1.26 -4.49 135.00 128.80 3ksf n PRO 61 Ca 0.00 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3ksf n PRO 61 Cb 0.00 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.09 -0.30 -0.18 6.00 -0.12 -1.26 -1.05 117.98 119.98 3ksf s PHE 62 Ca 0.58 -0.00 0.01 0.00 -0.05 0.00 0.00 56.93 57.46 3ksf s PHE 62 Cb -0.64 0.63 0.02 0.00 -0.63 0.00 0.00 43.02 42.39 3ksf s PHE 62 CO 0.60 -0.93 -0.19 -0.65 -0.05 0.00 0.00 175.22 174.00 3ksf s GLN 63 N -3.60 2.91 0.00 1.99 -1.52 0.09 -4.97 119.66 114.56 3ksf s GLN 63 Ca 0.08 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 3ksf s GLN 63 Cb -0.03 -2.53 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 3ksf s GLN 63 CO -0.02 -0.22 0.00 0.41 -0.25 0.00 0.00 175.29 175.21 3ksf n GLY 64 N 4.63 0.35 3.92 3.09 0.00 -1.26 -2.38 105.19 113.54 3ksf n GLY 64 Ca -0.21 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.30 3.48 0.35 1.61 3.76 -1.26 -5.02 115.29 114.91 3ksf s HIS 65 Ca 0.00 0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 55.26 3ksf s HIS 65 Cb 0.00 -2.24 -0.13 0.00 1.11 0.00 0.00 32.58 31.33 3ksf s HIS 65 CO 0.00 -0.23 0.97 -2.30 -0.85 0.00 0.00 174.74 172.33 3ksf n PRO 66 N -2.15 1.30 -4.39 8.40 -0.02 -1.26 -5.00 135.00 131.88 3ksf n PRO 66 Ca -0.00 0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 61.74 3ksf n PRO 66 Cb 0.56 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.18 2.11 0.47 3.55 0.00 -1.26 -5.12 121.76 120.33 3ksf s ALA 67 Ca 0.61 -1.87 -0.25 0.00 0.00 0.00 0.00 51.96 50.46 3ksf s ALA 67 Cb -0.63 0.39 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 3ksf s ALA 67 CO 0.59 -0.19 1.43 0.00 0.00 0.00 0.00 175.76 177.59 3ksf h VAL 69 N 2.12 1.03 -3.33 0.00 2.07 -1.98 -3.42 116.25 112.74 3ksf h VAL 69 Ca -0.51 -2.38 -0.66 0.00 0.82 0.00 0.00 66.70 63.98 3ksf h VAL 69 Cb 1.27 2.69 -0.17 0.00 -1.52 0.00 0.00 31.29 33.56 3ksf h VAL 69 CO 0.60 0.68 -0.63 -1.00 0.02 0.00 0.00 177.57 177.24 3ksf s HIS 70 N -2.46 3.12 -0.19 1.57 3.76 -1.26 -0.80 115.29 119.02 3ksf s HIS 70 Ca -0.21 0.00 -0.02 0.00 -0.15 0.00 0.00 55.06 54.69 3ksf s HIS 70 Cb 0.04 -1.89 0.05 0.00 1.11 0.00 0.00 32.58 31.90 3ksf s HIS 70 CO 0.75 0.25 0.00 0.42 -0.85 0.00 0.00 174.74 175.31 3ksf s ILE 71 N -0.27 0.78 0.60 0.60 1.01 -0.11 -5.01 121.20 118.81 3ksf s ILE 71 Ca 0.06 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 3ksf s ILE 71 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 3ksf s ILE 71 CO 0.02 -0.10 1.17 -2.84 0.00 0.00 0.00 174.94 173.19 3ksf s PRO 72 N 1.75 2.99 0.29 2.79 0.02 -1.26 -0.88 135.00 140.70 3ksf s PRO 72 Ca -0.01 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.40 3ksf s PRO 72 Cb -0.17 -1.95 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 3ksf s PRO 72 CO -0.07 -1.16 1.43 -0.89 -0.33 0.00 0.00 177.00 175.97 3ksf n ILE 73 N -1.73 1.34 -0.94 2.83 2.08 -1.26 -1.70 119.36 119.99 3ksf n ILE 73 Ca 0.13 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.10 3ksf n ILE 73 Cb 0.50 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 3ksf n ILE 73 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3ksf n GLY 74 N 1.65 0.82 3.60 7.39 0.00 0.17 -4.93 105.19 113.89 3ksf n GLY 74 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3ksf n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ksf s LYS 75 N -0.15 3.95 0.94 1.61 2.47 -0.69 -4.26 119.74 123.61 3ksf s LYS 75 Ca 0.00 -0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 3ksf s LYS 75 Cb 0.00 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 3ksf s LYS 75 CO 0.00 -0.03 0.00 0.41 0.16 0.00 0.00 175.35 175.89 3ksf n GLY 76 N 4.55 -1.79 0.19 5.54 0.00 -1.26 -1.33 105.19 111.09 3ksf n GLY 76 Ca -0.15 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.22 1.19 -0.23 1.61 2.07 -1.94 0.69 116.25 119.42 3ksf h VAL 77 Ca 0.00 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3ksf h VAL 77 Cb 0.22 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3ksf h VAL 77 CO 0.00 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.75 3ksf h GLY 79 N 0.19 1.06 2.00 0.00 0.00 -1.09 -1.69 103.07 103.54 3ksf h GLY 79 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3ksf h GLY 79 CO 0.02 0.40 -0.51 -0.84 0.00 0.00 0.00 176.54 175.61 3ksf h THR 80 N 1.02 1.18 -0.64 4.70 2.02 -0.77 0.50 112.91 120.92 3ksf h THR 80 Ca 0.27 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.56 3ksf h THR 80 Cb -0.10 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3ksf h THR 80 CO -0.06 0.50 0.23 0.00 0.37 0.00 0.00 175.52 176.56 3ksf h ALA 81 N 1.49 0.83 0.00 6.16 0.00 -0.52 -0.97 119.26 126.26 3ksf h ALA 81 Ca -0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 3ksf h ALA 81 Cb 1.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3ksf h ALA 81 CO 0.07 0.47 -0.76 -0.39 0.00 0.00 0.00 179.25 178.64 3ksf h VAL 82 N 0.90 1.22 -0.18 0.00 -1.51 -1.39 0.19 116.25 115.49 3ksf h VAL 82 Ca 0.21 -2.74 -0.17 0.00 -1.23 0.00 0.00 66.70 62.77 3ksf h VAL 82 Cb 0.25 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 3ksf h VAL 82 CO -0.01 0.69 -0.54 0.77 -1.23 0.00 0.00 177.57 177.25 3ksf h SER 83 N 0.00 0.79 1.11 4.19 4.64 -1.18 -3.20 113.55 119.90 3ksf h SER 83 Ca -0.02 -0.59 -0.12 0.00 -0.47 0.00 0.00 61.79 60.59 3ksf h SER 83 Cb 1.57 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 3ksf h SER 83 CO 0.09 1.24 -0.94 -0.33 -0.87 0.00 0.00 176.83 176.02 3ksf h GLU 84 N 0.38 0.00 -3.83 4.77 5.08 -1.26 -3.48 114.58 116.24 3ksf h GLU 84 Ca -0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 3ksf h GLU 84 Cb 1.16 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.50 3ksf h GLU 84 CO 0.12 0.35 -0.40 0.54 -1.00 0.00 0.00 179.01 178.62 3ksf n ARG 85 N -3.02 -4.65 -3.87 2.33 1.74 0.63 -5.03 116.66 104.79 3ksf n ARG 85 Ca -0.03 0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 57.42 3ksf n ARG 85 Cb 0.76 -4.47 -0.10 0.00 -1.02 0.00 0.00 32.46 27.62 3ksf n ARG 85 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3ksf s ARG 86 N -5.75 0.43 0.41 5.56 0.52 -0.90 -5.00 118.95 114.21 3ksf s ARG 86 Ca 0.34 -0.33 -0.27 0.00 -0.52 0.00 0.00 55.73 54.95 3ksf s ARG 86 Cb -0.15 0.18 -0.10 0.00 0.52 0.00 0.00 34.95 35.40 3ksf s ARG 86 CO 0.42 -0.10 1.46 2.41 0.02 0.00 0.00 175.30 179.52 3ksf n THR 87 N 1.69 2.30 -4.22 0.02 -1.04 -1.26 -4.55 114.28 107.22 3ksf n THR 87 Ca -0.21 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 60.96 3ksf n THR 87 Cb 0.56 -1.92 -0.15 0.00 -1.82 0.00 0.00 70.33 67.00 3ksf n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ksf s GLN 88 N -2.23 3.26 -0.35 -2.82 -1.52 0.47 -4.97 119.66 111.50 3ksf s GLN 88 Ca 0.56 -0.71 0.00 0.00 -1.95 0.00 0.00 55.36 53.27 3ksf s GLN 88 Cb -0.47 -2.77 0.09 0.00 -0.22 0.00 0.00 33.01 29.64 3ksf s GLN 88 CO 0.61 -0.09 0.08 0.08 -0.25 0.00 0.00 175.29 175.73 3ksf s VAL 89 N 1.12 2.78 -0.38 1.09 1.01 -1.26 -0.83 120.40 123.92 3ksf s VAL 89 Ca 0.01 -1.99 -0.11 0.00 0.00 0.00 0.00 61.98 59.89 3ksf s VAL 89 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.40 3ksf s VAL 89 CO -0.03 -0.48 0.22 -0.69 0.00 0.00 0.00 175.10 174.11 3ksf s VAL 90 N 1.08 4.58 0.32 2.92 1.01 0.43 -4.96 120.40 125.78 3ksf s VAL 90 Ca 0.05 -0.91 0.13 0.00 0.00 0.00 0.00 61.98 61.26 3ksf s VAL 90 Cb -0.21 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.66 3ksf s VAL 90 CO -0.05 -0.27 1.76 0.00 0.00 0.00 0.00 175.10 176.54 3ksf h ALA 91 N 8.45 1.22 -1.88 5.51 0.00 -1.89 -1.54 119.26 129.13 3ksf h ALA 91 Ca -0.25 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 3ksf h ALA 91 Cb 1.10 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.52 3ksf h ALA 91 CO 0.68 0.54 -0.55 0.34 0.00 0.00 0.00 179.25 180.27 3ksf s ASP 92 N -6.82 0.67 0.58 0.00 3.68 -1.26 -0.76 116.67 112.77 3ksf s ASP 92 Ca -0.02 -0.30 0.29 0.00 2.13 0.00 0.00 52.55 54.65 3ksf s ASP 92 Cb 0.13 0.95 1.50 0.00 -1.45 0.00 0.00 42.92 44.06 3ksf s ASP 92 CO 0.73 -0.35 1.93 -0.37 0.13 0.00 0.00 175.17 177.24 3ksf h VAL 93 N 6.19 0.41 -0.64 1.11 -1.51 -0.75 0.25 116.25 121.32 3ksf h VAL 93 Ca -0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.32 3ksf h VAL 93 Cb 1.12 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 3ksf h VAL 93 CO 0.28 0.00 0.30 -0.74 -1.23 0.00 0.00 177.57 176.19 3ksf h HIS 94 N 0.00 0.90 0.00 5.19 6.17 -1.91 -2.55 115.15 122.95 3ksf h HIS 94 Ca 0.20 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.25 3ksf h HIS 94 Cb 1.08 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 30.72 3ksf h HIS 94 CO 0.00 0.66 0.00 1.04 0.71 0.00 0.00 177.93 180.34 3ksf n GLN 95 N -4.34 0.26 -2.14 5.26 1.13 0.88 -4.87 117.38 113.57 3ksf n GLN 95 Ca 0.06 0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 54.93 3ksf n GLN 95 Cb 0.13 -1.82 -0.03 0.00 0.11 0.00 0.00 30.24 28.64 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 -3.12 3.20 -0.27 1.08 2.19 -0.96 -4.90 117.98 115.20 3ksf s PHE 96 Ca 0.10 0.90 -0.34 0.00 0.33 0.00 0.00 56.93 57.91 3ksf s PHE 96 Cb 0.12 -3.72 -0.11 0.00 -1.31 0.00 0.00 43.02 38.00 3ksf s PHE 96 CO 0.58 -2.55 2.09 1.17 1.83 0.00 0.00 175.22 178.34 3ksf n LYS 97 N 4.02 1.45 -1.42 10.12 3.00 -1.26 -4.05 118.16 130.02 3ksf n LYS 97 Ca 0.12 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 3ksf n LYS 97 Cb 0.42 -2.58 0.00 0.00 0.00 0.00 0.00 35.03 32.87 3ksf n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ksf n GLY 98 N 5.75 -2.75 3.46 3.14 0.00 -1.26 -4.83 105.19 108.70 3ksf n GLY 98 Ca 0.34 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 3ksf n GLY 98 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksf s HIS 99 N 0.00 -0.59 -0.33 1.61 3.76 -1.26 -4.55 115.29 113.93 3ksf s HIS 99 Ca 0.00 0.71 0.02 0.00 -0.15 0.00 0.00 55.06 55.63 3ksf s HIS 99 Cb 0.00 0.47 0.15 0.00 1.11 0.00 0.00 32.58 34.31 3ksf s HIS 99 CO 0.00 -0.72 0.35 0.42 -0.85 0.00 0.00 174.74 173.93 3ksf s ILE 100 N -2.47 -0.39 -0.17 0.60 1.01 -1.26 -5.07 121.20 113.45 3ksf s ILE 100 Ca -0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3ksf s ILE 100 Cb -0.01 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 3ksf s ILE 100 CO -0.02 -0.50 0.56 0.00 0.00 0.00 0.00 174.94 174.98 3ksf n ALA 101 N 4.79 0.29 -0.04 9.38 0.00 -1.26 -4.71 120.51 128.97 3ksf n ALA 101 Ca 0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 3ksf n ALA 101 Cb 0.46 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 3ksf n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksf s ASP 103 N -5.93 2.67 0.20 0.00 2.15 -1.26 -5.02 116.67 109.47 3ksf s ASP 103 Ca -0.15 -0.48 -0.10 0.00 0.43 0.00 0.00 52.55 52.25 3ksf s ASP 103 Cb 0.04 -1.18 0.24 0.00 -0.30 0.00 0.00 42.92 41.72 3ksf s ASP 103 CO 0.72 -0.05 1.76 0.00 -0.17 0.00 0.00 175.17 177.44 3ksf h ALA 104 N 7.99 0.77 0.00 3.66 0.00 -2.00 -1.51 119.26 128.16 3ksf h ALA 104 Ca -0.38 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ksf h ALA 104 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ksf h ALA 104 CO 0.53 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.74 3ksf n ASN 105 N -4.93 0.86 -3.95 0.00 3.02 -1.26 -4.42 115.26 104.58 3ksf n ASN 105 Ca 0.08 -1.09 -0.30 0.00 -0.03 0.00 0.00 54.58 53.23 3ksf n ASN 105 Cb 0.22 -0.27 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.03 4.45 -0.22 6.41 0.15 -0.57 -2.94 113.70 120.95 3ksf s SER 106 Ca 0.00 -2.46 -0.01 0.00 0.70 0.00 0.00 55.95 54.17 3ksf s SER 106 Cb 0.00 -1.52 -0.13 0.00 -1.71 0.00 0.00 66.02 62.65 3ksf s SER 106 CO 0.00 -0.32 -0.22 0.29 1.20 0.00 0.00 173.24 174.19 3ksf n LYS 107 N 3.83 0.53 -4.33 5.44 4.76 0.17 -4.80 118.16 123.76 3ksf n LYS 107 Ca 0.04 0.15 -0.19 0.00 -2.87 0.00 0.00 58.31 55.44 3ksf n LYS 107 Cb 0.38 -1.41 -0.10 0.00 -1.84 0.00 0.00 35.03 32.06 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 -6.32 2.51 -0.03 4.39 1.04 -1.04 -0.12 113.70 114.14 3ksf s SER 108 Ca -0.30 -0.98 -0.29 0.00 0.48 0.00 0.00 55.95 54.86 3ksf s SER 108 Cb 0.09 -0.13 0.08 0.00 0.10 0.00 0.00 66.02 66.16 3ksf s SER 108 CO 0.48 -0.15 0.72 -0.70 0.98 0.00 0.00 173.24 174.56 3ksf s GLU 109 N -3.44 1.02 -0.03 4.02 2.12 -0.58 -0.02 118.70 121.79 3ksf s GLU 109 Ca 0.20 0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.65 3ksf s GLU 109 Cb -0.02 0.48 0.01 0.00 0.26 0.00 0.00 34.13 34.86 3ksf s GLU 109 CO 0.06 -0.35 -0.06 -1.50 -0.54 0.00 0.00 175.26 172.87 3ksf s ILE 110 N -1.69 0.60 -0.09 -3.70 2.07 -0.32 -0.42 121.20 117.65 3ksf s ILE 110 Ca -0.07 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 58.94 3ksf s ILE 110 Cb -0.00 -0.56 0.02 0.00 0.13 0.00 0.00 42.46 42.04 3ksf s ILE 110 CO 0.04 0.21 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.50 3ksf s VAL 111 N 0.38 1.05 -0.19 4.00 1.01 -0.01 -2.01 120.40 124.64 3ksf s VAL 111 Ca -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3ksf s VAL 111 Cb -0.09 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3ksf s VAL 111 CO 0.00 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.59 3ksf s VAL 112 N 1.27 2.16 0.44 2.92 1.01 -0.54 -0.39 120.40 127.27 3ksf s VAL 112 Ca -0.03 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 3ksf s VAL 112 Cb -0.14 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 3ksf s VAL 112 CO -0.03 0.47 1.22 -2.16 0.00 0.00 0.00 175.10 174.60 3ksf s PRO 113 N 1.28 3.83 -0.17 2.72 0.04 -1.26 -0.75 135.00 140.69 3ksf s PRO 113 Ca 0.04 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 3ksf s PRO 113 Cb -0.14 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3ksf s PRO 113 CO -0.12 -0.54 -0.04 0.42 0.04 0.00 0.00 177.00 176.77 3ksf s ILE 114 N -1.40 3.79 0.19 0.56 1.01 0.94 -4.89 121.20 121.40 3ksf s ILE 114 Ca 0.61 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.95 3ksf s ILE 114 Cb -0.33 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3ksf s ILE 114 CO 0.41 0.47 -0.03 -0.36 0.00 0.00 0.00 174.94 175.43 3ksf s PHE 115 N 0.60 2.75 -0.15 3.97 0.40 -1.26 -0.08 117.98 124.21 3ksf s PHE 115 Ca -0.03 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 3ksf s PHE 115 Cb -0.14 -1.32 0.07 0.00 0.51 0.00 0.00 43.02 42.13 3ksf s PHE 115 CO 0.02 0.53 0.32 0.21 0.70 0.00 0.00 175.22 177.01 3ksf s LYS 116 N -2.99 0.23 -1.45 0.44 2.20 -0.09 -4.83 119.74 113.25 3ksf s LYS 116 Ca 0.27 0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 56.59 3ksf s LYS 116 Cb -0.09 0.07 0.05 0.00 -1.51 0.00 0.00 37.83 36.35 3ksf s LYS 116 CO 0.18 -0.25 1.07 -0.25 -0.36 0.00 0.00 175.35 175.73 3ksf n ASP 117 N 5.15 -5.65 -0.01 1.43 8.00 -1.26 -1.52 116.55 122.69 3ksf n ASP 117 Ca -0.10 -0.64 -0.00 0.00 0.71 0.00 0.00 54.79 54.76 3ksf n ASP 117 Cb 0.50 -4.48 -0.00 0.00 -0.02 0.00 0.00 41.12 37.13 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 -2.90 -5.04 -4.51 -2.24 8.00 -1.26 -4.99 116.55 103.59 3ksf n ASP 118 Ca 0.02 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 3ksf n ASP 118 Cb 0.55 -2.56 -0.12 0.00 -0.02 0.00 0.00 41.12 38.97 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 -1.38 2.60 0.17 -1.24 1.02 -0.57 -5.07 119.74 115.26 3ksf s LYS 119 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 3ksf s LYS 119 Cb 0.00 -2.46 -0.08 0.00 -0.52 0.00 0.00 37.83 34.77 3ksf s LYS 119 CO 0.00 0.64 1.31 0.42 -0.92 0.00 0.00 175.35 176.80 3ksf s ILE 120 N -0.75 3.30 0.00 2.17 1.01 -1.26 -0.92 121.20 124.75 3ksf s ILE 120 Ca 0.12 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3ksf s ILE 120 Cb -0.11 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3ksf s ILE 120 CO 0.01 0.14 0.34 2.30 0.00 0.00 0.00 174.94 177.73 3ksf n ILE 121 N 2.97 0.00 -2.67 2.92 -5.35 0.89 -4.89 119.36 113.22 3ksf n ILE 121 Ca 0.07 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3ksf n ILE 121 Cb 0.43 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.22 -1.72 3.10 3.28 0.00 -1.21 -1.44 105.19 107.42 3ksf n GLY 122 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.70 0.11 -0.17 1.61 -7.23 -0.63 -0.04 120.40 111.34 3ksf s VAL 123 Ca 0.00 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.13 3ksf s VAL 123 Cb 0.00 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 3ksf s VAL 123 CO 0.00 -0.49 0.33 -0.22 -0.31 0.00 0.00 175.10 174.40 3ksf s LEU 124 N -1.75 4.23 -0.10 1.32 2.96 0.07 -2.24 118.68 123.17 3ksf s LEU 124 Ca -0.10 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3ksf s LEU 124 Cb -0.05 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.23 3ksf s LEU 124 CO -0.02 0.06 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.32 3ksf s ASP 125 N 0.61 2.19 -0.06 3.68 2.15 0.94 -1.46 116.67 124.72 3ksf s ASP 125 Ca 0.18 -0.36 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 3ksf s ASP 125 Cb -0.13 -0.96 0.03 0.00 -0.30 0.00 0.00 42.92 41.55 3ksf s ASP 125 CO 0.05 -0.01 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.40 3ksf s ILE 126 N 1.06 0.42 0.28 4.11 1.01 -0.85 -0.75 121.20 126.49 3ksf s ILE 126 Ca -0.06 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.72 3ksf s ILE 126 Cb -0.15 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.73 3ksf s ILE 126 CO -0.02 0.25 -0.12 1.51 0.00 0.00 0.00 174.94 176.56 3ksf s ASP 127 N 1.62 3.21 0.10 3.58 1.47 -0.55 -1.17 116.67 124.93 3ksf s ASP 127 Ca -0.00 -1.12 0.03 0.00 1.18 0.00 0.00 52.55 52.64 3ksf s ASP 127 Cb -0.13 -0.25 -0.04 0.00 -0.34 0.00 0.00 42.92 42.17 3ksf s ASP 127 CO -0.04 -0.18 -0.10 0.00 0.68 0.00 0.00 175.17 175.54 3ksf s ALA 128 N -2.77 1.08 -1.45 2.11 0.00 0.96 -0.28 121.76 121.42 3ksf s ALA 128 Ca 0.29 -1.19 0.24 0.00 0.00 0.00 0.00 51.96 51.30 3ksf s ALA 128 Cb 0.00 0.04 1.20 0.00 0.00 0.00 0.00 23.12 24.37 3ksf s ALA 128 CO 0.13 -0.06 1.78 -0.35 0.00 0.00 0.00 175.76 177.26 3ksf n PRO 129 N 0.52 0.35 -4.26 0.00 -0.04 -1.15 0.44 135.00 130.86 3ksf n PRO 129 Ca -0.16 0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.18 3ksf n PRO 129 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.55 1.43 0.71 0.52 -0.00 -1.26 -4.55 121.20 115.50 3ksf s ILE 130 Ca 0.23 -1.81 -0.11 0.00 -0.00 0.00 0.00 60.65 58.96 3ksf s ILE 130 Cb 0.16 -1.64 0.02 0.00 -0.00 0.00 0.00 42.46 41.00 3ksf s ILE 130 CO 0.36 -0.43 1.07 0.42 -0.00 0.00 0.00 174.94 176.35 3ksf s THR 131 N -2.26 3.81 -1.49 8.37 -4.23 -1.26 -3.29 115.64 115.28 3ksf s THR 131 Ca 0.11 0.60 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 3ksf s THR 131 Cb -0.04 -3.26 0.06 0.00 1.34 0.00 0.00 72.50 70.60 3ksf s THR 131 CO 0.04 -0.75 0.75 0.47 -0.54 0.00 0.00 174.62 174.59 3ksf n ASP 132 N -3.17 -2.65 0.01 3.99 9.92 0.06 -4.89 116.55 119.83 3ksf n ASP 132 Ca 0.08 -0.89 -0.19 0.00 -0.53 0.00 0.00 54.79 53.26 3ksf n ASP 132 Cb 0.53 -3.51 -0.09 0.00 -0.64 0.00 0.00 41.12 37.41 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 -1.87 0.71 -5.71 -1.24 9.65 -1.83 -3.45 114.38 110.65 3ksf h ARG 133 Ca -0.60 -0.68 -0.66 0.00 -1.10 0.00 0.00 59.98 56.93 3ksf h ARG 133 Cb 1.37 0.18 -0.17 0.00 -1.39 0.00 0.00 29.97 29.96 3ksf h ARG 133 CO 0.66 1.28 -0.63 -0.06 2.80 0.00 0.00 179.97 184.01 3ksf s PHE 134 N -3.47 3.11 0.38 2.20 0.08 -1.26 -5.04 117.98 113.98 3ksf s PHE 134 Ca -0.10 0.02 0.01 0.00 0.12 0.00 0.00 56.93 56.98 3ksf s PHE 134 Cb 0.07 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3ksf s PHE 134 CO 0.90 0.27 0.04 -0.40 -0.10 0.00 0.00 175.22 175.94 3ksf n ASP 135 N 2.72 2.47 0.02 1.36 5.68 -1.26 -4.85 116.55 122.69 3ksf n ASP 135 Ca -0.18 -2.75 0.20 0.00 -0.50 0.00 0.00 54.79 51.56 3ksf n ASP 135 Cb 0.53 0.46 0.71 0.00 -1.14 0.00 0.00 41.12 41.68 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 1.08 0.00 -0.19 -1.12 3.32 -1.99 -0.20 116.42 117.31 3ksf h ASP 136 Ca -0.31 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.57 3ksf h ASP 136 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3ksf h ASP 136 CO 0.50 0.00 -0.57 -1.13 -1.72 0.00 0.00 179.24 176.32 3ksf h ASN 137 N 0.00 0.83 -0.48 6.45 -0.73 -1.99 -0.61 115.58 119.05 3ksf h ASN 137 Ca 0.24 -0.59 -0.10 0.00 1.87 0.00 0.00 56.30 57.72 3ksf h ASN 137 Cb 1.02 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 3ksf h ASN 137 CO -0.00 1.27 -0.09 0.44 -0.37 0.00 0.00 177.43 178.68 3ksf h ASP 138 N 0.43 0.92 -0.18 1.15 3.32 -1.56 -2.22 116.42 118.28 3ksf h ASP 138 Ca -0.02 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.71 3ksf h ASP 138 Cb 1.19 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 3ksf h ASP 138 CO 0.12 1.06 0.01 0.50 -1.72 0.00 0.00 179.24 179.21 3ksf h LYS 139 N 0.77 0.07 0.09 3.56 3.64 -1.03 0.17 116.57 123.84 3ksf h LYS 139 Ca 0.13 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3ksf h LYS 139 Cb 0.64 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3ksf h LYS 139 CO 0.04 0.04 -0.14 1.49 -2.27 0.00 0.00 179.45 178.62 3ksf h GLU 140 N 0.07 -0.27 0.00 1.90 4.81 -0.92 -0.06 114.58 120.10 3ksf h GLU 140 Ca 0.08 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 3ksf h GLU 140 Cb 0.10 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3ksf h GLU 140 CO -0.14 -0.18 -0.70 0.45 -0.73 0.00 0.00 179.01 177.71 3ksf h HIS 141 N -0.28 0.00 -0.05 0.92 3.86 -1.28 -2.40 115.15 115.92 3ksf h HIS 141 Ca 0.02 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.07 3ksf h HIS 141 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3ksf h HIS 141 CO -0.15 0.70 -0.68 -0.07 0.86 0.00 0.00 177.93 178.59 3ksf h LEU 142 N 0.00 0.25 -0.72 2.43 3.38 -0.55 -1.34 115.31 118.76 3ksf h LEU 142 Ca -0.01 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3ksf h LEU 142 Cb 1.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3ksf h LEU 142 CO 0.09 0.85 -0.26 -0.33 0.09 0.00 0.00 178.44 178.88 3ksf h GLU 143 N 0.15 0.70 -0.52 1.13 5.08 -0.87 -1.47 114.58 118.77 3ksf h GLU 143 Ca -0.02 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 3ksf h GLU 143 Cb 1.22 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3ksf h GLU 143 CO 0.10 0.89 -0.10 0.00 -1.00 0.00 0.00 179.01 178.90 3ksf h ALA 144 N 1.11 0.84 -0.44 3.43 0.00 -1.22 -1.92 119.26 121.06 3ksf h ALA 144 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3ksf h ALA 144 Cb 0.76 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ksf h ALA 144 CO 0.06 0.65 0.13 0.82 0.00 0.00 0.00 179.25 180.92 3ksf h ILE 145 N 0.87 1.18 -0.20 0.00 2.04 -0.89 -0.29 117.51 120.22 3ksf h ILE 145 Ca 0.14 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 3ksf h ILE 145 Cb 0.64 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3ksf h ILE 145 CO 0.04 0.23 -0.21 0.58 0.00 0.00 0.00 178.15 178.80 3ksf h VAL 146 N 0.63 1.24 -0.12 1.67 2.07 -0.68 -2.27 116.25 118.78 3ksf h VAL 146 Ca 0.15 -1.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 3ksf h VAL 146 Cb 0.20 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3ksf h VAL 146 CO -0.01 0.34 -0.47 0.11 0.02 0.00 0.00 177.57 177.56 3ksf h LYS 147 N 0.33 0.30 -0.59 1.57 1.57 -0.34 0.89 116.57 120.30 3ksf h LYS 147 Ca 0.06 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3ksf h LYS 147 Cb 0.55 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3ksf h LYS 147 CO 0.04 0.71 0.27 0.82 -0.57 0.00 0.00 179.45 180.73 3ksf h ILE 148 N 0.25 1.21 -0.26 1.86 2.04 -0.74 -0.69 117.51 121.17 3ksf h ILE 148 Ca 0.01 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3ksf h ILE 148 Cb 0.92 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3ksf h ILE 148 CO 0.08 0.25 -0.01 0.40 0.00 0.00 0.00 178.15 178.87 3ksf h ILE 149 N 0.81 1.26 -0.77 -0.67 2.04 -1.09 -3.06 117.51 116.03 3ksf h ILE 149 Ca 0.20 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.21 3ksf h ILE 149 Cb 0.14 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3ksf h ILE 149 CO -0.02 0.29 0.51 -0.33 0.00 0.00 0.00 178.15 178.60 3ksf h GLU 150 N 0.25 0.75 -0.92 2.37 5.08 -0.44 -1.55 114.58 120.11 3ksf h GLU 150 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ksf h GLU 150 Cb 0.43 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3ksf h GLU 150 CO 0.01 0.49 0.52 0.87 -1.00 0.00 0.00 179.01 179.90 3ksf h LYS 151 N 0.77 1.27 0.00 2.33 1.79 -1.03 -1.82 116.57 119.87 3ksf h LYS 151 Ca 0.35 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.61 3ksf h LYS 151 Cb 0.34 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3ksf h LYS 151 CO -0.13 0.92 -0.30 1.96 -1.08 0.00 0.00 179.45 180.82 3ksf h GLN 152 N 1.28 0.00 -0.01 3.15 1.08 -1.27 -3.07 115.11 116.27 3ksf h GLN 152 Ca 0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 3ksf h GLN 152 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3ksf h GLN 152 CO -0.05 0.30 -0.32 1.28 -0.95 0.00 0.00 178.83 179.08 3ksf n LEU 153 N -3.40 0.96 0.00 1.46 4.77 -0.87 -4.61 117.00 115.31 3ksf n LEU 153 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3ksf n LEU 153 Cb 0.49 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3ksf n LEU 153 CO 0.35 0.19 0.10 0.00 -1.33 0.00 0.00 177.39 176.70