#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 3.57 0.23 2.28 1.01 -1.26 -5.06 121.20 121.97 3ksf s ILE 4 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 3ksf s ILE 4 Cb 0.00 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 3ksf s ILE 4 CO 0.00 0.47 1.33 0.20 0.00 0.00 0.00 174.94 176.94 3ksf s ASN 5 N 0.78 6.84 0.20 3.58 0.01 -1.26 -4.93 114.94 120.16 3ksf s ASN 5 Ca -0.02 2.50 -0.31 0.00 -0.71 0.00 0.00 52.86 54.32 3ksf s ASN 5 Cb -0.15 -2.62 -0.15 0.00 0.41 0.00 0.00 41.25 38.74 3ksf s ASN 5 CO 0.02 -0.55 1.08 -2.65 -1.51 0.00 0.00 177.10 173.49 3ksf n PRO 6 N 2.22 1.13 -3.53 -0.60 -0.02 -1.26 -4.81 135.00 128.13 3ksf n PRO 6 Ca 0.05 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 3ksf n PRO 6 Cb 0.42 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.47 5.28 -1.16 3.45 2.01 -1.26 -5.01 115.64 118.48 3ksf s THR 7 Ca 0.69 0.59 -0.15 0.00 0.31 0.00 0.00 61.69 63.13 3ksf s THR 7 Cb -0.82 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 68.20 3ksf s THR 7 CO 0.55 0.41 1.41 0.21 -0.69 0.00 0.00 174.62 176.50 3ksf s ASN 8 N 0.27 6.96 0.36 3.53 3.04 -1.26 -4.82 114.94 123.02 3ksf s ASN 8 Ca 0.18 -2.75 0.14 0.00 0.04 0.00 0.00 52.86 50.46 3ksf s ASN 8 Cb -0.13 -2.42 0.68 0.00 -1.54 0.00 0.00 41.25 37.83 3ksf s ASN 8 CO 0.05 -0.85 1.79 1.88 -3.04 0.00 0.00 177.10 176.92 3ksf h TYR 9 N 7.54 0.00 -0.48 0.43 0.05 -1.96 -1.46 116.97 121.09 3ksf h TYR 9 Ca 0.30 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.03 3ksf h TYR 9 Cb 0.90 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 3ksf h TYR 9 CO 1.15 0.41 0.12 1.15 -1.05 0.00 0.00 178.16 179.93 3ksf h THR 10 N 0.00 1.24 -0.21 -2.88 2.02 -2.00 0.16 112.91 111.24 3ksf h THR 10 Ca -0.00 -0.83 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 3ksf h THR 10 Cb 0.76 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3ksf h THR 10 CO 0.05 0.30 -0.39 0.25 0.37 0.00 0.00 175.52 176.10 3ksf h LEU 11 N 0.64 0.71 -0.48 2.58 5.85 -1.95 -2.73 115.31 119.93 3ksf h LEU 11 Ca 0.15 -0.54 0.01 0.00 0.84 0.00 0.00 57.88 58.35 3ksf h LEU 11 Cb 0.33 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3ksf h LEU 11 CO 0.00 1.11 0.30 0.25 -0.34 0.00 0.00 178.44 179.76 3ksf h LEU 12 N 0.33 0.50 -0.91 2.25 5.85 -1.07 0.29 115.31 122.55 3ksf h LEU 12 Ca 0.01 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3ksf h LEU 12 Cb 0.98 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3ksf h LEU 12 CO 0.09 0.36 0.31 0.11 -0.34 0.00 0.00 178.44 178.97 3ksf h LYS 13 N 0.61 1.10 -0.51 1.25 1.57 -0.70 0.13 116.57 120.03 3ksf h LYS 13 Ca 0.19 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3ksf h LYS 13 Cb -0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3ksf h LYS 13 CO -0.07 0.88 -0.08 0.87 -0.57 0.00 0.00 179.45 180.49 3ksf h LYS 14 N 1.08 0.95 -0.03 3.15 1.57 -1.12 -1.69 116.57 120.48 3ksf h LYS 14 Ca 0.25 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3ksf h LYS 14 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3ksf h LYS 14 CO -0.02 1.00 -0.39 1.96 -0.57 0.00 0.00 179.45 181.44 3ksf h GLN 15 N 0.81 0.07 -0.24 3.15 4.20 -0.50 -2.14 115.11 120.45 3ksf h GLN 15 Ca 0.13 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3ksf h GLN 15 Cb 0.63 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3ksf h GLN 15 CO 0.04 0.45 -0.11 0.00 -0.67 0.00 0.00 178.83 178.54 3ksf h ALA 16 N 1.55 0.34 -0.35 3.87 0.00 -0.36 0.66 119.26 124.98 3ksf h ALA 16 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ksf h ALA 16 Cb 0.71 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3ksf h ALA 16 CO 0.05 0.19 0.21 0.00 0.00 0.00 0.00 179.25 179.70 3ksf h ALA 17 N 0.72 0.44 -0.21 0.00 0.00 -1.15 -2.53 119.26 116.54 3ksf h ALA 17 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ksf h ALA 17 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ksf h ALA 17 CO 0.03 -0.07 -0.24 0.77 0.00 0.00 0.00 179.25 179.74 3ksf h SER 18 N 0.45 0.38 -0.02 0.00 0.02 -1.33 -1.51 113.55 111.53 3ksf h SER 18 Ca 0.12 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ksf h SER 18 Cb -0.01 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3ksf h SER 18 CO -0.02 0.63 0.01 0.25 -1.14 0.00 0.00 176.83 176.56 3ksf h LEU 19 N 0.34 0.03 -3.23 5.07 6.46 -0.47 -3.23 115.31 120.29 3ksf h LEU 19 Ca 0.05 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 3ksf h LEU 19 Cb 0.62 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 3ksf h LEU 19 CO 0.04 0.15 0.00 2.30 -0.62 0.00 0.00 178.44 180.32 3ksf n ILE 20 N -5.01 2.04 -1.95 4.05 -5.35 -0.99 -4.96 119.36 107.19 3ksf n ILE 20 Ca -0.07 -1.35 -0.42 0.00 -0.27 0.00 0.00 62.75 60.64 3ksf n ILE 20 Cb 0.09 0.01 -0.02 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 -2.14 4.23 -0.01 6.28 2.12 -0.57 -2.01 118.70 126.60 3ksf s GLU 21 Ca 0.48 2.36 0.00 0.00 0.36 0.00 0.00 54.97 58.17 3ksf s GLU 21 Cb 0.33 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.60 3ksf s GLU 21 CO 0.19 -0.53 0.00 -0.25 -0.54 0.00 0.00 175.26 174.14 3ksf n ASP 22 N 3.00 -4.14 -4.57 -1.70 10.43 -1.26 -5.01 116.55 113.30 3ksf n ASP 22 Ca 0.10 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.14 3ksf n ASP 22 Cb 0.39 -1.65 -0.11 0.00 1.84 0.00 0.00 41.12 41.59 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 2.57 0.00 -1.24 0.41 -0.85 -5.00 118.70 113.80 3ksf s GLU 23 Ca 0.00 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 3ksf s GLU 23 Cb 0.00 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 3ksf s GLU 23 CO 0.00 0.62 0.09 0.72 -0.49 0.00 0.00 175.26 176.20 3ksf n HIS 24 N 1.84 0.00 -2.27 1.61 8.25 -1.26 -4.83 115.22 118.56 3ksf n HIS 24 Ca -0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.87 3ksf n HIS 24 Cb 0.53 0.00 -0.02 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 -0.09 2.30 0.16 4.41 5.04 -1.26 -4.79 115.29 121.06 3ksf s HIS 25 Ca 0.00 0.67 -0.16 0.00 -1.54 0.00 0.00 55.06 54.03 3ksf s HIS 25 Cb 0.00 -4.20 0.07 0.00 0.04 0.00 0.00 32.58 28.49 3ksf s HIS 25 CO 0.00 -2.21 1.73 1.98 -2.34 0.00 0.00 174.74 173.89 3ksf h MET 26 N 10.91 0.18 -0.48 2.88 4.05 -1.95 -0.90 114.93 129.62 3ksf h MET 26 Ca -0.29 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.09 3ksf h MET 26 Cb 1.12 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.86 3ksf h MET 26 CO 1.06 0.12 0.20 0.82 0.23 0.00 0.00 176.91 179.34 3ksf h ILE 27 N 0.18 1.20 -0.65 1.77 1.08 -1.99 0.99 117.51 120.10 3ksf h ILE 27 Ca 0.17 -0.62 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3ksf h ILE 27 Cb 0.20 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 3ksf h ILE 27 CO -0.23 0.24 0.32 0.00 -0.69 0.00 0.00 178.15 177.79 3ksf h ALA 28 N 1.04 0.83 -0.19 1.87 0.00 -1.93 -0.93 119.26 119.96 3ksf h ALA 28 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ksf h ALA 28 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ksf h ALA 28 CO -0.01 0.38 0.08 0.82 0.00 0.00 0.00 179.25 180.52 3ksf h ILE 29 N 0.89 1.14 -0.59 0.00 2.04 -0.78 -2.07 117.51 118.14 3ksf h ILE 29 Ca 0.22 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3ksf h ILE 29 Cb 0.10 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3ksf h ILE 29 CO -0.03 0.14 0.24 -0.07 0.00 0.00 0.00 178.15 178.42 3ksf h LEU 30 N 0.17 0.78 0.16 1.44 4.07 -0.64 -0.70 115.31 120.58 3ksf h LEU 30 Ca 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 3ksf h LEU 30 Cb 0.14 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3ksf h LEU 30 CO -0.01 0.70 -0.08 0.28 -1.08 0.00 0.00 178.44 178.25 3ksf h SER 31 N 0.84 -0.18 -0.34 -0.43 0.02 -0.99 -2.16 113.55 110.32 3ksf h SER 31 Ca 0.20 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3ksf h SER 31 Cb 0.16 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3ksf h SER 31 CO -0.02 0.09 0.01 0.78 -1.14 0.00 0.00 176.83 176.54 3ksf h ASN 32 N -0.46 0.66 -0.16 3.07 2.35 -1.25 -2.94 115.58 116.86 3ksf h ASN 32 Ca -0.02 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 3ksf h ASN 32 Cb 0.36 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3ksf h ASN 32 CO 0.04 0.73 -0.20 0.24 -1.65 0.00 0.00 177.43 176.58 3ksf h MET 33 N 0.66 0.58 -0.73 0.81 2.86 -1.07 -0.34 114.93 117.70 3ksf h MET 33 Ca 0.13 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3ksf h MET 33 Cb 0.40 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3ksf h MET 33 CO 0.01 0.75 0.27 0.66 1.06 0.00 0.00 176.91 179.66 3ksf h SER 34 N 0.52 1.02 -0.24 1.22 4.64 -1.21 0.09 113.55 119.59 3ksf h SER 34 Ca 0.08 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 3ksf h SER 34 Cb 0.64 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ksf h SER 34 CO 0.05 0.92 -0.34 0.00 -0.87 0.00 0.00 176.83 176.58 3ksf h ALA 35 N 1.22 0.36 -0.67 5.18 0.00 -1.37 -0.04 119.26 123.94 3ksf h ALA 35 Ca 0.24 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ksf h ALA 35 Cb 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ksf h ALA 35 CO -0.02 0.42 0.39 1.25 0.00 0.00 0.00 179.25 181.29 3ksf h LEU 36 N 0.36 0.81 -0.29 0.00 5.85 -0.74 0.68 115.31 121.98 3ksf h LEU 36 Ca 0.02 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3ksf h LEU 36 Cb 0.93 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3ksf h LEU 36 CO 0.08 0.65 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.57 3ksf h LEU 37 N 0.91 0.67 -1.08 2.25 3.38 -0.94 -2.55 115.31 117.95 3ksf h LEU 37 Ca 0.24 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3ksf h LEU 37 Cb -0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3ksf h LEU 37 CO -0.04 0.96 0.62 -1.13 0.09 0.00 0.00 178.44 178.94 3ksf h ASN 38 N 0.39 1.03 1.26 -0.43 -1.24 -0.67 -1.43 115.58 114.50 3ksf h ASN 38 Ca 0.06 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 3ksf h ASN 38 Cb 0.73 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.54 3ksf h ASN 38 CO 0.05 0.71 -0.06 0.44 -1.29 0.00 0.00 177.43 177.28 3ksf h ASP 39 N 1.19 0.00 -0.09 1.15 3.32 -0.73 -3.31 116.42 117.95 3ksf h ASP 39 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3ksf h ASP 39 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ksf h ASP 39 CO -0.11 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.06 3ksf n ASN 40 N -3.15 1.96 -4.29 6.45 3.02 -0.85 -4.96 115.26 113.44 3ksf n ASN 40 Ca 0.01 -1.64 -0.34 0.00 -0.03 0.00 0.00 54.58 52.58 3ksf n ASN 40 Cb 0.40 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.73 2.68 0.27 3.41 1.43 -0.60 -4.76 118.68 120.38 3ksf s LEU 41 Ca 0.08 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3ksf s LEU 41 Cb 0.05 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 3ksf s LEU 41 CO 0.07 0.05 0.62 -0.62 0.23 0.00 0.00 176.35 176.69 3ksf s ASP 42 N 1.04 6.64 -1.15 2.29 2.15 -1.26 -4.45 116.67 121.93 3ksf s ASP 42 Ca -0.00 1.01 -0.01 0.00 0.43 0.00 0.00 52.55 53.97 3ksf s ASP 42 Cb -0.15 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3ksf s ASP 42 CO -0.02 -0.15 0.96 0.00 -0.17 0.00 0.00 175.17 175.80 3ksf n GLN 43 N -0.37 -6.41 -4.24 4.34 1.13 -1.26 -4.92 117.38 105.65 3ksf n GLN 43 Ca 0.01 0.79 -0.15 0.00 -1.94 0.00 0.00 57.00 55.71 3ksf n GLN 43 Cb 0.53 -5.65 -0.10 0.00 0.11 0.00 0.00 30.24 25.12 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 -3.33 1.19 0.00 5.09 -4.36 -1.26 -4.35 121.20 114.19 3ksf s ILE 44 Ca 0.09 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 3ksf s ILE 44 Cb -0.04 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3ksf s ILE 44 CO 0.68 -0.62 0.10 -0.46 0.24 0.00 0.00 174.94 174.88 3ksf n ASN 45 N 0.13 0.21 -3.64 4.36 6.94 -0.62 -4.80 115.26 117.83 3ksf n ASN 45 Ca -0.13 -0.54 -0.06 0.00 -0.02 0.00 0.00 54.58 53.83 3ksf n ASN 45 Cb 0.59 0.46 -0.07 0.00 -2.36 0.00 0.00 39.78 38.41 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 -0.46 -1.09 -0.08 -2.53 -0.00 -1.21 -4.62 118.94 108.94 3ksf s TRP 46 Ca 0.00 2.15 -0.03 0.00 -0.00 0.00 0.00 56.10 58.22 3ksf s TRP 46 Cb 0.00 0.65 0.05 0.00 -0.00 0.00 0.00 33.47 34.17 3ksf s TRP 46 CO 0.00 -0.54 0.16 0.54 -0.00 0.00 0.00 176.95 177.11 3ksf s VAL 47 N 1.77 -0.22 0.00 5.86 0.11 -1.03 -1.46 120.40 125.43 3ksf s VAL 47 Ca -0.10 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 3ksf s VAL 47 Cb -0.06 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3ksf s VAL 47 CO -0.20 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 3ksf n GLY 48 N 5.11 1.45 3.26 6.54 0.00 -0.30 -0.08 105.19 121.17 3ksf n GLY 48 Ca -0.09 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 -5.45 1.44 -0.02 1.61 0.08 -0.11 -0.34 117.98 115.18 3ksf s PHE 49 Ca 0.00 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.48 3ksf s PHE 49 Cb 0.00 -0.73 -0.00 0.00 -0.57 0.00 0.00 43.02 41.72 3ksf s PHE 49 CO 0.00 0.17 -0.12 0.71 -0.10 0.00 0.00 175.22 175.89 3ksf s TYR 50 N -2.54 1.14 -0.05 0.36 1.51 -0.76 -0.52 117.35 116.50 3ksf s TYR 50 Ca 0.13 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 3ksf s TYR 50 Cb -0.03 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 3ksf s TYR 50 CO 0.03 -0.08 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.77 3ksf s LEU 51 N -0.00 2.95 -0.06 -1.29 1.43 0.07 -0.69 118.68 121.08 3ksf s LEU 51 Ca -0.00 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 3ksf s LEU 51 Cb -0.08 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3ksf s LEU 51 CO 0.00 0.34 1.01 -0.22 0.23 0.00 0.00 176.35 177.71 3ksf s LEU 52 N -0.89 4.29 -0.14 1.79 2.96 -0.89 0.35 118.68 126.15 3ksf s LEU 52 Ca 0.13 1.59 -0.07 0.00 -0.22 0.00 0.00 54.13 55.56 3ksf s LEU 52 Cb -0.11 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.08 3ksf s LEU 52 CO 0.02 -0.39 0.33 -1.61 -1.32 0.00 0.00 176.35 173.38 3ksf s GLU 53 N 1.66 0.28 -1.31 1.98 2.02 0.15 -4.93 118.70 118.55 3ksf s GLU 53 Ca 0.50 0.72 -0.01 0.00 0.02 0.00 0.00 54.97 56.20 3ksf s GLU 53 Cb -0.20 -0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.01 3ksf s GLU 53 CO 0.22 -0.19 0.67 1.04 0.02 0.00 0.00 175.26 177.02 3ksf n GLN 54 N 4.55 -4.50 -2.18 1.61 3.00 -1.26 -1.60 117.38 116.99 3ksf n GLN 54 Ca -0.20 0.59 -0.17 0.00 -0.01 0.00 0.00 57.00 57.21 3ksf n GLN 54 Cb 0.53 -5.07 -0.02 0.00 0.00 0.00 0.00 30.24 25.68 3ksf n GLN 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3ksf n ASN 55 N -3.04 -4.90 -3.85 1.08 3.02 -1.26 -4.95 115.26 101.36 3ksf n ASN 55 Ca -0.29 0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.32 3ksf n ASN 55 Cb 0.68 -4.18 -0.09 0.00 -0.61 0.00 0.00 39.78 35.58 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 -4.63 0.66 0.08 3.52 -1.05 -0.63 -3.84 118.70 112.81 3ksf s GLU 56 Ca 0.00 -0.60 -0.21 0.00 -0.15 0.00 0.00 54.97 54.01 3ksf s GLU 56 Cb 0.00 0.27 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 3ksf s GLU 56 CO 0.00 -0.18 0.63 -0.51 0.95 0.00 0.00 175.26 176.15 3ksf s LEU 57 N -1.98 4.52 -0.09 1.83 1.43 0.30 0.31 118.68 125.00 3ksf s LEU 57 Ca -0.06 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 3ksf s LEU 57 Cb -0.02 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.19 3ksf s LEU 57 CO -0.03 0.22 -0.18 -0.63 0.23 0.00 0.00 176.35 175.95 3ksf s ILE 58 N -0.92 1.63 0.09 -0.59 -1.09 0.15 -1.41 121.20 119.07 3ksf s ILE 58 Ca 0.31 -0.76 -0.36 0.00 -2.23 0.00 0.00 60.65 57.61 3ksf s ILE 58 Cb -0.20 -1.43 -0.16 0.00 -1.58 0.00 0.00 42.46 39.08 3ksf s ILE 58 CO 0.21 0.46 1.41 -0.11 -1.23 0.00 0.00 174.94 175.68 3ksf n LEU 59 N 3.68 2.02 0.00 2.97 7.94 -0.22 -0.76 117.00 132.64 3ksf n LEU 59 Ca -0.21 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 3ksf n LEU 59 Cb 0.52 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.23 3ksf n LEU 59 CO 0.27 -0.84 0.00 0.61 -1.11 0.00 0.00 177.39 176.31 3ksf n GLY 60 N 2.79 6.53 3.69 -3.96 0.00 0.32 -4.82 105.19 109.73 3ksf n GLY 60 Ca 0.18 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 1.94 -3.66 1.61 -0.02 -1.26 -4.49 135.00 129.12 3ksf n PRO 61 Ca 0.00 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 3ksf n PRO 61 Cb 0.00 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 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 -1.16 -0.29 -0.19 6.00 -0.12 -1.26 -0.94 117.98 120.02 3ksf s PHE 62 Ca 0.59 -0.01 -0.00 0.00 -0.05 0.00 0.00 56.93 57.45 3ksf s PHE 62 Cb -0.54 0.63 0.02 0.00 -0.63 0.00 0.00 43.02 42.49 3ksf s PHE 62 CO 0.60 -0.92 -0.16 -0.65 -0.05 0.00 0.00 175.22 174.04 3ksf s GLN 63 N -3.58 3.04 0.00 1.99 -1.52 0.88 -4.96 119.66 115.51 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 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 30.08 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 4.65 0.55 3.86 3.09 0.00 -1.26 -2.46 105.19 113.63 3ksf n GLY 64 Ca -0.20 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.93 3.48 0.33 1.61 3.76 -1.26 -5.00 115.29 115.27 3ksf s HIS 65 Ca 0.00 1.21 -0.26 0.00 -0.15 0.00 0.00 55.06 55.86 3ksf s HIS 65 Cb 0.00 -2.59 -0.13 0.00 1.11 0.00 0.00 32.58 30.96 3ksf s HIS 65 CO 0.00 -0.26 0.83 -2.30 -0.85 0.00 0.00 174.74 172.16 3ksf n PRO 66 N -1.55 0.98 -4.41 8.40 -0.02 -1.26 -4.99 135.00 132.14 3ksf n PRO 66 Ca 0.04 0.35 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 3ksf n PRO 66 Cb 0.54 -1.68 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.19 2.18 0.32 3.55 0.00 -1.26 -5.12 121.76 120.25 3ksf s ALA 67 Ca 0.61 -1.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 3ksf s ALA 67 Cb -0.68 0.71 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 3ksf s ALA 67 CO 0.58 -0.33 1.38 0.00 0.00 0.00 0.00 175.76 177.40 3ksf h VAL 69 N 3.13 1.46 -3.33 0.00 2.07 -1.97 -3.42 116.25 114.19 3ksf h VAL 69 Ca -0.49 -2.54 -0.62 0.00 0.82 0.00 0.00 66.70 63.87 3ksf h VAL 69 Cb 1.23 3.16 -0.18 0.00 -1.52 0.00 0.00 31.29 33.97 3ksf h VAL 69 CO 0.68 0.72 -0.60 -1.00 0.02 0.00 0.00 177.57 177.39 3ksf s HIS 70 N -2.44 3.17 -0.17 1.57 3.76 -1.26 -1.05 115.29 118.87 3ksf s HIS 70 Ca -0.14 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 3ksf s HIS 70 Cb 0.01 -2.06 0.04 0.00 1.11 0.00 0.00 32.58 31.68 3ksf s HIS 70 CO 0.83 0.05 -0.04 0.42 -0.85 0.00 0.00 174.74 175.15 3ksf s ILE 71 N 0.49 1.05 0.55 0.60 1.01 -0.50 -4.99 121.20 119.42 3ksf s ILE 71 Ca 0.01 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 3ksf s ILE 71 Cb -0.13 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 3ksf s ILE 71 CO 0.01 0.11 1.19 -2.84 0.00 0.00 0.00 174.94 173.41 3ksf s PRO 72 N 1.65 3.25 0.28 2.79 0.02 -1.26 -0.54 135.00 141.19 3ksf s PRO 72 Ca 0.01 1.78 -0.30 0.00 0.02 0.00 0.00 61.00 62.51 3ksf s PRO 72 Cb -0.15 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 3ksf s PRO 72 CO -0.08 -0.98 1.44 0.42 -0.33 0.00 0.00 177.00 177.48 3ksf s ILE 73 N -1.62 2.53 0.00 2.83 1.01 -1.25 -1.73 121.20 122.98 3ksf s ILE 73 Ca 0.73 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.85 3ksf s ILE 73 Cb -0.29 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3ksf s ILE 73 CO 0.32 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3ksf n GLY 74 N 1.79 2.11 3.58 6.18 0.00 0.14 -4.94 105.19 114.06 3ksf n GLY 74 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.29 3.83 0.68 1.61 -0.14 -0.70 -4.28 119.74 120.44 3ksf s LYS 75 Ca 0.00 -0.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 3ksf s LYS 75 Cb 0.00 -3.73 0.00 0.00 -1.68 0.00 0.00 37.83 32.42 3ksf s LYS 75 CO 0.00 -0.47 0.00 0.41 -0.76 0.00 0.00 175.35 174.53 3ksf n GLY 76 N 4.68 -1.97 0.09 -3.33 0.00 -1.24 -1.68 105.19 101.74 3ksf n GLY 76 Ca -0.06 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.20 0.90 -0.39 1.61 2.07 -1.90 0.95 116.25 119.30 3ksf h VAL 77 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3ksf h VAL 77 Cb 0.20 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ksf h VAL 77 CO 0.00 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.76 3ksf h GLY 79 N 0.49 1.12 1.45 0.00 0.00 -1.20 -2.25 103.07 102.68 3ksf h GLY 79 Ca 0.13 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 3ksf h GLY 79 CO -0.01 0.53 -0.36 -0.84 0.00 0.00 0.00 176.54 175.86 3ksf h THR 80 N 1.03 1.29 -0.62 4.70 2.02 -0.59 0.82 112.91 121.57 3ksf h THR 80 Ca 0.25 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 3ksf h THR 80 Cb 0.14 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3ksf h THR 80 CO -0.03 0.48 0.38 0.00 0.37 0.00 0.00 175.52 176.72 3ksf h ALA 81 N 1.09 1.50 0.03 6.16 0.00 -0.65 -0.17 119.26 127.22 3ksf h ALA 81 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ksf h ALA 81 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ksf h ALA 81 CO 0.07 0.44 -0.01 0.28 0.00 0.00 0.00 179.25 180.03 3ksf h VAL 82 N 0.85 1.39 -0.06 0.00 2.07 -0.98 0.38 116.25 119.90 3ksf h VAL 82 Ca 0.22 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3ksf h VAL 82 Cb -0.04 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3ksf h VAL 82 CO -0.04 0.35 -0.17 0.77 0.02 0.00 0.00 177.57 178.50 3ksf h SER 83 N -0.66 0.08 0.68 0.57 4.64 -1.00 -2.86 113.55 115.00 3ksf h SER 83 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3ksf h SER 83 Cb 0.61 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3ksf h SER 83 CO 0.01 0.26 -1.03 -0.62 -0.87 0.00 0.00 176.83 174.58 3ksf n GLU 84 N -4.30 0.44 -2.20 4.77 1.02 -0.09 -4.96 120.64 115.32 3ksf n GLU 84 Ca -0.02 0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.99 3ksf n GLU 84 Cb 0.26 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.27 -1.39 -4.01 3.49 1.74 0.10 -4.98 116.66 109.33 3ksf n ARG 85 Ca 0.01 0.91 -0.09 0.00 -0.77 0.00 0.00 57.85 57.91 3ksf n ARG 85 Cb 0.49 -5.36 -0.11 0.00 -1.02 0.00 0.00 32.46 26.46 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 -4.65 0.40 0.32 5.56 1.70 -1.04 -4.93 118.95 116.31 3ksf s ARG 86 Ca 0.00 -0.78 -0.29 0.00 -0.47 0.00 0.00 55.73 54.19 3ksf s ARG 86 Cb 0.00 0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.37 3ksf s ARG 86 CO 0.00 -0.06 1.57 0.99 -1.08 0.00 0.00 175.30 176.72 3ksf s THR 87 N -2.09 2.02 -0.22 4.99 2.01 -1.26 -4.51 115.64 116.59 3ksf s THR 87 Ca -0.10 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 3ksf s THR 87 Cb -0.05 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3ksf s THR 87 CO -0.03 0.00 -0.06 -1.10 -0.69 0.00 0.00 174.62 172.75 3ksf s GLN 88 N -0.96 3.34 -0.37 4.92 -1.52 0.99 -4.95 119.66 121.10 3ksf s GLN 88 Ca 0.61 -0.64 -0.03 0.00 -1.95 0.00 0.00 55.36 53.34 3ksf s GLN 88 Cb -0.48 -2.98 0.09 0.00 -0.22 0.00 0.00 33.01 29.42 3ksf s GLN 88 CO 0.53 -0.20 0.14 0.08 -0.25 0.00 0.00 175.29 175.58 3ksf s VAL 89 N 1.46 3.23 -0.34 1.09 1.01 -1.26 -0.37 120.40 125.21 3ksf s VAL 89 Ca 0.06 -1.80 -0.10 0.00 0.00 0.00 0.00 61.98 60.14 3ksf s VAL 89 Cb -0.14 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3ksf s VAL 89 CO -0.04 -0.49 0.17 -0.69 0.00 0.00 0.00 175.10 174.06 3ksf s VAL 90 N 1.19 4.52 0.17 2.92 1.01 0.12 -4.95 120.40 125.37 3ksf s VAL 90 Ca 0.04 -0.69 0.16 0.00 0.00 0.00 0.00 61.98 61.48 3ksf s VAL 90 Cb -0.22 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.81 3ksf s VAL 90 CO -0.03 -0.10 1.66 0.00 0.00 0.00 0.00 175.10 176.64 3ksf h ALA 91 N 8.38 0.94 -1.85 5.51 0.00 -1.90 -0.39 119.26 129.96 3ksf h ALA 91 Ca -0.28 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.04 3ksf h ALA 91 Cb 1.12 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.54 3ksf h ALA 91 CO 0.64 0.59 -0.49 0.34 0.00 0.00 0.00 179.25 180.33 3ksf s ASP 92 N -6.55 0.30 0.59 0.00 3.68 -1.26 -0.03 116.67 113.39 3ksf s ASP 92 Ca 0.00 0.08 0.29 0.00 2.13 0.00 0.00 52.55 55.04 3ksf s ASP 92 Cb 0.11 1.11 1.62 0.00 -1.45 0.00 0.00 42.92 44.31 3ksf s ASP 92 CO 0.72 -0.31 2.06 -0.37 0.13 0.00 0.00 175.17 177.40 3ksf h VAL 93 N 6.18 0.45 0.00 1.11 -1.51 -1.54 0.15 116.25 121.09 3ksf h VAL 93 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3ksf h VAL 93 Cb 1.15 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3ksf h VAL 93 CO 0.27 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 177.06 3ksf h HIS 94 N 0.00 0.00 0.00 5.19 3.86 -1.93 -2.49 115.15 119.78 3ksf h HIS 94 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3ksf h HIS 94 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3ksf h HIS 94 CO 0.00 0.00 -0.92 1.04 0.86 0.00 0.00 177.93 178.91 3ksf n GLN 95 N -2.38 0.49 -2.71 2.45 1.13 0.04 -4.83 117.38 111.56 3ksf n GLN 95 Ca 0.01 0.10 -0.43 0.00 -1.94 0.00 0.00 57.00 54.74 3ksf n GLN 95 Cb 0.21 -1.76 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 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 -3.30 3.01 0.34 1.08 2.19 -0.94 -5.00 117.98 115.37 3ksf s PHE 96 Ca 0.02 0.83 -0.29 0.00 0.33 0.00 0.00 56.93 57.82 3ksf s PHE 96 Cb 0.11 -3.90 -0.11 0.00 -1.31 0.00 0.00 43.02 37.81 3ksf s PHE 96 CO 0.78 -0.96 1.55 1.17 1.83 0.00 0.00 175.22 179.59 3ksf n LYS 97 N 7.12 2.72 -0.98 10.12 4.81 -1.26 -1.52 118.16 139.17 3ksf n LYS 97 Ca 0.10 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 3ksf n LYS 97 Cb 0.48 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 1.21 0.36 3.63 3.14 0.00 -1.26 -4.68 105.19 107.59 3ksf n GLY 98 Ca 0.04 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.53 3ksf n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ksf n HIS 99 N -2.60 1.70 -3.86 1.61 -0.00 -0.58 -3.61 115.22 107.89 3ksf n HIS 99 Ca 0.00 0.60 -0.29 0.00 -0.00 0.00 0.00 57.72 58.02 3ksf n HIS 99 Cb 0.15 -2.38 -0.13 0.00 -0.00 0.00 0.00 29.99 27.63 3ksf n HIS 99 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 3ksf s ILE 100 N 1.51 2.24 -0.38 3.57 -4.36 -1.26 -4.92 121.20 117.59 3ksf s ILE 100 Ca 0.89 -3.26 -0.00 0.00 -0.26 0.00 0.00 60.65 58.02 3ksf s ILE 100 Cb -0.99 -2.54 0.26 0.00 1.25 0.00 0.00 42.46 40.44 3ksf s ILE 100 CO 0.53 -0.88 1.11 0.00 0.24 0.00 0.00 174.94 175.94 3ksf n ALA 101 N 3.01 -2.93 0.62 2.27 0.00 -1.26 -4.93 120.51 117.29 3ksf n ALA 101 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3ksf n ALA 101 Cb 0.34 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 -1.11 5.17 0.25 0.00 -1.08 -1.26 -4.84 116.67 113.79 3ksf s ASP 103 Ca 0.00 1.14 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 3ksf s ASP 103 Cb 0.00 -2.51 0.58 0.00 -1.46 0.00 0.00 42.92 39.53 3ksf s ASP 103 CO 0.00 -2.31 1.27 0.00 0.52 0.00 0.00 175.17 174.65 3ksf n ALA 104 N 13.04 0.38 0.48 3.66 0.00 -1.26 0.21 120.51 137.02 3ksf n ALA 104 Ca 0.28 0.88 0.04 0.00 0.00 0.00 0.00 53.44 54.64 3ksf n ALA 104 Cb 0.50 -0.62 0.17 0.00 0.00 0.00 0.00 19.45 19.50 3ksf n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ksf n ASN 105 N -5.18 2.59 -4.40 0.00 3.02 -1.26 -4.76 115.26 105.25 3ksf n ASN 105 Ca 0.18 -2.24 -0.44 0.00 -0.03 0.00 0.00 54.58 52.06 3ksf n ASN 105 Cb 0.59 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.65 6.14 -0.04 6.41 0.15 0.13 -2.72 113.70 123.12 3ksf s SER 106 Ca 0.24 -1.24 0.05 0.00 0.70 0.00 0.00 55.95 55.70 3ksf s SER 106 Cb 0.16 -2.18 -0.07 0.00 -1.71 0.00 0.00 66.02 62.22 3ksf s SER 106 CO 0.11 -0.61 0.04 0.29 1.20 0.00 0.00 173.24 174.28 3ksf n LYS 107 N 5.20 2.47 -3.97 5.44 5.02 0.10 -4.86 118.16 127.56 3ksf n LYS 107 Ca -0.12 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 3ksf n LYS 107 Cb 0.44 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 34.22 3ksf n LYS 107 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ksf s SER 108 N -3.40 0.25 0.12 4.39 1.04 -1.14 -1.56 113.70 113.41 3ksf s SER 108 Ca -0.02 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 3ksf s SER 108 Cb 0.02 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.36 3ksf s SER 108 CO 0.21 -0.47 0.37 -0.70 0.98 0.00 0.00 173.24 173.64 3ksf s GLU 109 N -2.52 1.05 -0.06 4.02 2.12 -0.16 -0.36 118.70 122.79 3ksf s GLU 109 Ca -0.06 -0.76 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 3ksf s GLU 109 Cb -0.02 0.45 0.04 0.00 0.26 0.00 0.00 34.13 34.86 3ksf s GLU 109 CO -0.04 -0.40 0.14 -1.50 -0.54 0.00 0.00 175.26 172.91 3ksf s ILE 110 N -3.82 -0.05 -0.09 -3.70 2.07 -0.13 0.12 121.20 115.60 3ksf s ILE 110 Ca 0.04 0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.46 3ksf s ILE 110 Cb 0.02 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.40 3ksf s ILE 110 CO -0.11 0.07 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.15 3ksf s VAL 111 N 1.07 1.36 -0.16 4.00 1.01 0.50 -1.85 120.40 126.32 3ksf s VAL 111 Ca -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3ksf s VAL 111 Cb -0.11 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3ksf s VAL 111 CO -0.05 0.41 -0.18 -0.69 0.00 0.00 0.00 175.10 174.59 3ksf s VAL 112 N 0.84 2.33 0.50 2.92 1.01 -0.53 -0.00 120.40 127.46 3ksf s VAL 112 Ca -0.10 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 3ksf s VAL 112 Cb -0.15 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 3ksf s VAL 112 CO 0.01 0.53 1.15 -2.16 0.00 0.00 0.00 175.10 174.63 3ksf s PRO 113 N 1.02 3.58 -0.16 2.72 0.04 -1.26 -0.98 135.00 139.96 3ksf s PRO 113 Ca -0.02 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 3ksf s PRO 113 Cb -0.15 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 3ksf s PRO 113 CO -0.05 -0.68 -0.09 0.42 0.04 0.00 0.00 177.00 176.64 3ksf s ILE 114 N -1.65 3.24 0.25 0.56 1.01 0.76 -4.88 121.20 120.49 3ksf s ILE 114 Ca 0.68 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.85 3ksf s ILE 114 Cb -0.26 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3ksf s ILE 114 CO 0.31 0.49 -0.02 -0.36 0.00 0.00 0.00 174.94 175.36 3ksf s PHE 115 N 0.73 2.68 -0.20 3.97 0.40 -1.26 0.04 117.98 124.34 3ksf s PHE 115 Ca -0.04 -0.22 -0.08 0.00 -0.60 0.00 0.00 56.93 55.99 3ksf s PHE 115 Cb -0.15 -1.21 0.08 0.00 0.51 0.00 0.00 43.02 42.26 3ksf s PHE 115 CO 0.02 0.61 0.44 0.21 0.70 0.00 0.00 175.22 177.20 3ksf s LYS 116 N -3.54 0.37 -1.53 0.44 2.20 -0.67 -4.81 119.74 112.19 3ksf s LYS 116 Ca 0.30 1.01 -0.14 0.00 -0.36 0.00 0.00 55.97 56.78 3ksf s LYS 116 Cb -0.07 0.27 0.09 0.00 -1.51 0.00 0.00 37.83 36.61 3ksf s LYS 116 CO 0.19 -0.22 0.99 -0.25 -0.36 0.00 0.00 175.35 175.70 3ksf n ASP 117 N 5.05 -4.83 -0.65 1.43 8.00 -1.26 -1.59 116.55 122.70 3ksf n ASP 117 Ca -0.13 -0.78 -0.09 0.00 0.71 0.00 0.00 54.79 54.51 3ksf n ASP 117 Cb 0.51 -3.89 -0.04 0.00 -0.02 0.00 0.00 41.12 37.69 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 -2.84 -5.08 -4.40 -2.24 8.00 -1.26 -4.99 116.55 103.74 3ksf n ASP 118 Ca 0.04 0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.43 3ksf n ASP 118 Cb 0.53 -3.33 -0.14 0.00 -0.02 0.00 0.00 41.12 38.15 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 -2.50 2.65 0.13 -1.24 1.02 -0.62 -5.09 119.74 114.09 3ksf s LYS 119 Ca 0.00 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.93 3ksf s LYS 119 Cb 0.00 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.88 3ksf s LYS 119 CO 0.00 0.49 1.28 0.42 -0.92 0.00 0.00 175.35 176.62 3ksf s ILE 120 N -0.39 3.53 -0.26 2.17 1.01 -1.26 -1.68 121.20 124.32 3ksf s ILE 120 Ca 0.04 1.17 0.02 0.00 0.00 0.00 0.00 60.65 61.88 3ksf s ILE 120 Cb -0.12 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.61 3ksf s ILE 120 CO 0.02 0.13 0.48 2.30 0.00 0.00 0.00 174.94 177.87 3ksf n ILE 121 N 3.34 0.00 -3.14 2.92 -5.35 0.11 -4.91 119.36 112.33 3ksf n ILE 121 Ca 0.08 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 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 0.31 -1.57 3.13 3.28 0.00 -1.21 -2.10 105.19 107.04 3ksf n GLY 122 Ca 0.01 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.83 0.15 -0.21 1.61 -7.23 0.13 -0.17 120.40 111.85 3ksf s VAL 123 Ca 0.00 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 3ksf s VAL 123 Cb 0.00 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 3ksf s VAL 123 CO 0.00 -0.68 0.09 -0.22 -0.31 0.00 0.00 175.10 173.99 3ksf s LEU 124 N -2.42 3.84 -0.12 1.32 2.96 -0.15 -1.83 118.68 122.29 3ksf s LEU 124 Ca -0.01 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3ksf s LEU 124 Cb 0.02 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3ksf s LEU 124 CO -0.07 0.11 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.25 3ksf s ASP 125 N 0.79 2.78 -0.05 3.68 2.15 0.54 -1.45 116.67 125.10 3ksf s ASP 125 Ca 0.05 -0.51 -0.00 0.00 0.43 0.00 0.00 52.55 52.51 3ksf s ASP 125 Cb -0.13 -1.27 0.03 0.00 -0.30 0.00 0.00 42.92 41.24 3ksf s ASP 125 CO 0.02 0.07 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.45 3ksf s ILE 126 N 0.77 0.36 0.31 4.11 1.01 -0.77 -1.15 121.20 125.83 3ksf s ILE 126 Ca -0.10 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.67 3ksf s ILE 126 Cb -0.16 -0.46 -0.06 0.00 0.01 0.00 0.00 42.46 41.79 3ksf s ILE 126 CO 0.01 0.22 -0.06 1.51 0.00 0.00 0.00 174.94 176.61 3ksf s ASP 127 N 1.41 3.11 0.08 3.58 3.84 -0.54 -0.96 116.67 127.20 3ksf s ASP 127 Ca -0.04 -1.21 0.02 0.00 -0.00 0.00 0.00 52.55 51.32 3ksf s ASP 127 Cb -0.13 -0.23 -0.04 0.00 -1.38 0.00 0.00 42.92 41.14 3ksf s ASP 127 CO -0.03 -0.32 -0.06 0.00 -0.00 0.00 0.00 175.17 174.76 3ksf s ALA 128 N -2.88 0.83 -2.00 2.11 0.00 0.52 -1.59 121.76 118.74 3ksf s ALA 128 Ca 0.31 -1.20 0.16 0.00 0.00 0.00 0.00 51.96 51.23 3ksf s ALA 128 Cb 0.04 0.15 0.93 0.00 0.00 0.00 0.00 23.12 24.23 3ksf s ALA 128 CO 0.14 -0.20 1.55 -0.35 0.00 0.00 0.00 175.76 176.90 3ksf n PRO 129 N 0.32 0.93 -4.11 0.00 -0.04 -1.10 0.01 135.00 131.01 3ksf n PRO 129 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.20 3ksf n PRO 129 Cb 0.59 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.69 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 -2.00 0.58 0.70 0.52 -4.36 -1.26 -4.71 121.20 110.66 3ksf s ILE 130 Ca 0.23 -1.48 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 3ksf s ILE 130 Cb 0.11 -1.10 0.01 0.00 1.25 0.00 0.00 42.46 42.73 3ksf s ILE 130 CO 0.18 -0.63 1.06 0.42 0.24 0.00 0.00 174.94 176.22 3ksf s THR 131 N -2.46 3.95 -1.51 8.37 -4.23 -1.26 -3.37 115.64 115.11 3ksf s THR 131 Ca -0.00 0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 3ksf s THR 131 Cb -0.03 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.49 3ksf s THR 131 CO -0.02 -0.83 0.71 0.47 -0.54 0.00 0.00 174.62 174.41 3ksf n ASP 132 N -3.10 -3.64 -0.11 3.99 9.92 0.95 -4.86 116.55 119.71 3ksf n ASP 132 Ca 0.07 -0.75 -0.08 0.00 -0.53 0.00 0.00 54.79 53.51 3ksf n ASP 132 Cb 0.54 -2.98 0.08 0.00 -0.64 0.00 0.00 41.12 38.13 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 -1.37 0.84 -5.22 -1.24 9.65 -1.83 -3.43 114.38 111.78 3ksf h ARG 133 Ca -0.52 -0.32 -0.64 0.00 -1.10 0.00 0.00 59.98 57.40 3ksf h ARG 133 Cb 1.34 -0.05 -0.21 0.00 -1.39 0.00 0.00 29.97 29.67 3ksf h ARG 133 CO 0.67 0.94 -0.64 -0.06 2.80 0.00 0.00 179.97 183.69 3ksf s PHE 134 N -4.71 3.08 0.21 2.20 0.08 -1.26 -5.05 117.98 112.53 3ksf s PHE 134 Ca -0.10 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.69 3ksf s PHE 134 Cb 0.13 -2.04 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 3ksf s PHE 134 CO 0.84 -0.08 0.14 -0.40 -0.10 0.00 0.00 175.22 175.62 3ksf n ASP 135 N 3.83 1.77 0.27 1.36 5.68 -1.26 -4.87 116.55 123.32 3ksf n ASP 135 Ca -0.17 -1.75 0.11 0.00 -0.50 0.00 0.00 54.79 52.48 3ksf n ASP 135 Cb 0.52 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.23 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 0.28 0.00 -0.30 -1.12 3.32 -1.99 -2.12 116.42 114.48 3ksf h ASP 136 Ca -0.14 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.79 3ksf h ASP 136 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3ksf h ASP 136 CO 0.22 0.06 -0.30 -1.13 -1.72 0.00 0.00 179.24 176.37 3ksf h ASN 137 N 0.00 0.78 -0.55 6.45 -0.73 -2.00 -1.80 115.58 117.74 3ksf h ASN 137 Ca -0.00 -0.47 -0.07 0.00 1.87 0.00 0.00 56.30 57.63 3ksf h ASN 137 Cb 0.12 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 3ksf h ASN 137 CO 0.01 1.09 0.09 0.44 -0.37 0.00 0.00 177.43 178.69 3ksf h ASP 138 N 0.49 0.90 -0.09 1.15 3.32 -1.80 -2.62 116.42 117.76 3ksf h ASP 138 Ca 0.05 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3ksf h ASP 138 Cb 0.87 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3ksf h ASP 138 CO 0.07 0.91 -0.03 0.50 -1.72 0.00 0.00 179.24 178.97 3ksf h LYS 139 N 0.90 -0.01 0.02 3.56 3.64 -1.22 0.43 116.57 123.88 3ksf h LYS 139 Ca 0.18 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3ksf h LYS 139 Cb 0.40 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3ksf h LYS 139 CO 0.01 -0.01 -0.19 1.49 -2.27 0.00 0.00 179.45 178.48 3ksf h GLU 140 N -0.01 -0.30 -0.15 1.90 4.81 -1.09 -1.57 114.58 118.17 3ksf h GLU 140 Ca 0.04 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3ksf h GLU 140 Cb 0.08 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3ksf h GLU 140 CO -0.10 -0.20 -0.50 0.45 -0.73 0.00 0.00 179.01 177.93 3ksf h HIS 141 N -0.31 0.49 -0.20 0.92 3.86 -1.32 -2.09 115.15 116.50 3ksf h HIS 141 Ca 0.05 -0.16 -0.15 0.00 -1.16 0.00 0.00 60.37 58.95 3ksf h HIS 141 Cb 0.38 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3ksf h HIS 141 CO -0.23 0.82 -0.48 -0.07 0.86 0.00 0.00 177.93 178.84 3ksf h LEU 142 N 0.32 0.58 -0.94 2.43 3.38 -0.84 0.19 115.31 120.43 3ksf h LEU 142 Ca 0.01 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 3ksf h LEU 142 Cb 1.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3ksf h LEU 142 CO 0.09 0.97 -0.22 -0.33 0.09 0.00 0.00 178.44 179.04 3ksf h GLU 143 N 0.43 0.53 -0.30 1.13 5.08 -1.20 0.48 114.58 120.73 3ksf h GLU 143 Ca 0.02 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 3ksf h GLU 143 Cb 1.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3ksf h GLU 143 CO 0.09 0.71 -0.36 0.00 -1.00 0.00 0.00 179.01 178.46 3ksf h ALA 144 N 1.30 0.82 -0.38 3.43 0.00 -0.97 -1.73 119.26 121.72 3ksf h ALA 144 Ca 0.07 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 3ksf h ALA 144 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ksf h ALA 144 CO 0.05 0.64 -0.23 0.82 0.00 0.00 0.00 179.25 180.53 3ksf h ILE 145 N 0.56 1.27 -0.81 0.00 2.04 -0.34 -2.11 117.51 118.12 3ksf h ILE 145 Ca 0.06 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 3ksf h ILE 145 Cb 0.87 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3ksf h ILE 145 CO 0.08 0.45 0.44 0.58 0.00 0.00 0.00 178.15 179.69 3ksf h VAL 146 N 0.66 1.24 -0.02 1.67 2.07 -0.60 -1.60 116.25 119.68 3ksf h VAL 146 Ca 0.09 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 3ksf h VAL 146 Cb 0.74 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3ksf h VAL 146 CO 0.06 0.27 -0.31 0.11 0.02 0.00 0.00 177.57 177.72 3ksf h LYS 147 N 1.13 0.03 -0.70 1.57 1.57 -0.81 0.31 116.57 119.68 3ksf h LYS 147 Ca 0.29 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3ksf h LYS 147 Cb 0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3ksf h LYS 147 CO -0.05 0.34 0.14 0.82 -0.57 0.00 0.00 179.45 180.14 3ksf h ILE 148 N 0.03 1.26 -0.32 1.86 2.04 -0.67 -0.83 117.51 120.88 3ksf h ILE 148 Ca 0.00 -1.01 -0.10 0.00 1.00 0.00 0.00 64.86 64.76 3ksf h ILE 148 Cb 0.56 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3ksf h ILE 148 CO 0.04 0.38 -0.18 0.40 0.00 0.00 0.00 178.15 178.80 3ksf h ILE 149 N 1.07 1.29 -0.83 -0.67 2.04 -0.60 -3.07 117.51 116.74 3ksf h ILE 149 Ca 0.22 -1.30 0.04 0.00 1.00 0.00 0.00 64.86 64.82 3ksf h ILE 149 Cb 0.41 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 3ksf h ILE 149 CO 0.01 0.42 0.54 -0.33 0.00 0.00 0.00 178.15 178.79 3ksf h GLU 150 N 0.45 0.98 -0.38 2.37 5.08 -0.11 -1.93 114.58 121.03 3ksf h GLU 150 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ksf h GLU 150 Cb 0.72 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3ksf h GLU 150 CO 0.05 0.65 0.22 -0.22 -1.00 0.00 0.00 179.01 178.71 3ksf h LYS 151 N 1.01 0.52 0.00 2.33 3.64 -1.06 -0.13 116.57 122.87 3ksf h LYS 151 Ca 0.33 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3ksf h LYS 151 Cb 0.07 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3ksf h LYS 151 CO -0.10 0.37 -0.31 1.96 -2.27 0.00 0.00 179.45 179.10 3ksf h GLN 152 N 0.53 0.00 0.00 1.90 1.08 -1.36 -3.21 115.11 114.05 3ksf h GLN 152 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3ksf h GLN 152 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3ksf h GLN 152 CO -0.03 0.31 -0.80 1.28 -0.95 0.00 0.00 178.83 178.64 3ksf n LEU 153 N -3.20 0.70 0.00 1.46 4.77 -0.83 -4.54 117.00 115.37 3ksf n LEU 153 Ca 0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3ksf n LEU 153 Cb 0.64 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3ksf n LEU 153 CO 0.38 0.15 0.08 0.00 -1.33 0.00 0.00 177.39 176.67