#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 1.76 0.20 2.28 1.01 -1.26 -4.91 121.20 120.27 3ksf s ILE 4 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.55 3ksf s ILE 4 Cb 0.00 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.79 3ksf s ILE 4 CO 0.00 0.49 1.48 0.20 0.00 0.00 0.00 174.94 177.12 3ksf s ASN 5 N 0.99 6.65 0.41 3.58 0.01 -1.26 -4.93 114.94 120.39 3ksf s ASN 5 Ca -0.05 2.60 -0.27 0.00 -0.71 0.00 0.00 52.86 54.43 3ksf s ASN 5 Cb -0.15 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.81 3ksf s ASN 5 CO -0.03 -0.74 1.45 -2.16 -1.51 0.00 0.00 177.10 174.10 3ksf s PRO 6 N 0.45 3.93 -0.22 -0.60 0.04 -1.26 -4.61 135.00 132.74 3ksf s PRO 6 Ca 0.64 2.47 -0.10 0.00 0.04 0.00 0.00 61.00 64.05 3ksf s PRO 6 Cb -0.42 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 3ksf s PRO 6 CO 0.36 -0.64 0.15 0.99 0.04 0.00 0.00 177.00 177.91 3ksf s THR 7 N -1.16 5.38 -1.05 1.26 2.01 -1.26 -4.99 115.64 115.82 3ksf s THR 7 Ca 0.56 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.59 3ksf s THR 7 Cb -0.45 -3.49 0.13 0.00 0.01 0.00 0.00 72.50 68.70 3ksf s THR 7 CO 0.59 0.39 1.31 0.21 -0.69 0.00 0.00 174.62 176.43 3ksf s ASN 8 N 0.68 6.76 0.40 3.53 3.04 -1.26 -4.82 114.94 123.27 3ksf s ASN 8 Ca 0.08 -2.28 0.14 0.00 0.04 0.00 0.00 52.86 50.84 3ksf s ASN 8 Cb -0.12 -2.44 0.84 0.00 -1.54 0.00 0.00 41.25 37.99 3ksf s ASN 8 CO 0.01 -1.04 1.89 1.88 -3.04 0.00 0.00 177.10 176.81 3ksf h TYR 9 N 8.37 0.00 -0.25 0.43 0.05 -1.97 -1.05 116.97 122.55 3ksf h TYR 9 Ca 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 3ksf h TYR 9 Cb 0.97 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 3ksf h TYR 9 CO 1.18 0.30 0.12 1.15 -1.05 0.00 0.00 178.16 179.86 3ksf h THR 10 N 0.00 1.14 -0.14 -2.88 2.02 -2.00 0.11 112.91 111.16 3ksf h THR 10 Ca -0.00 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.63 3ksf h THR 10 Cb 0.53 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3ksf h THR 10 CO 0.04 0.14 -0.50 0.25 0.37 0.00 0.00 175.52 175.81 3ksf h LEU 11 N 0.28 0.69 -0.85 2.58 5.85 -1.95 -3.08 115.31 118.81 3ksf h LEU 11 Ca 0.09 -0.61 0.10 0.00 0.84 0.00 0.00 57.88 58.29 3ksf h LEU 11 Cb 0.11 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 3ksf h LEU 11 CO -0.01 1.18 0.50 0.25 -0.34 0.00 0.00 178.44 180.02 3ksf h LEU 12 N 0.23 0.72 -0.93 2.25 5.85 -1.04 0.99 115.31 123.38 3ksf h LEU 12 Ca -0.02 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3ksf h LEU 12 Cb 1.13 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3ksf h LEU 12 CO 0.11 0.40 -0.23 0.11 -0.34 0.00 0.00 178.44 178.49 3ksf h LYS 13 N 0.83 0.52 -0.20 1.25 1.57 -1.00 0.34 116.57 119.88 3ksf h LYS 13 Ca 0.41 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.81 3ksf h LYS 13 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3ksf h LYS 13 CO -0.25 0.71 -0.64 0.87 -0.57 0.00 0.00 179.45 179.58 3ksf h LYS 14 N 0.46 0.70 -0.57 3.15 1.57 -1.19 -2.25 116.57 118.45 3ksf h LYS 14 Ca 0.07 -0.50 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 3ksf h LYS 14 Cb 0.65 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3ksf h LYS 14 CO 0.05 1.12 0.09 1.96 -0.57 0.00 0.00 179.45 182.10 3ksf h GLN 15 N 0.52 0.95 -0.16 3.15 4.20 -0.57 -2.07 115.11 121.12 3ksf h GLN 15 Ca -0.01 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.46 3ksf h GLN 15 Cb 1.23 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 3ksf h GLN 15 CO 0.13 0.91 0.06 0.00 -0.67 0.00 0.00 178.83 179.26 3ksf h ALA 16 N 1.00 0.18 -0.69 3.87 0.00 -0.87 0.15 119.26 122.91 3ksf h ALA 16 Ca 0.17 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3ksf h ALA 16 Cb 0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ksf h ALA 16 CO 0.01 -0.37 0.44 0.00 0.00 0.00 0.00 179.25 179.33 3ksf h ALA 17 N 1.10 0.90 -0.31 0.00 0.00 -1.23 -2.82 119.26 116.89 3ksf h ALA 17 Ca 0.07 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3ksf h ALA 17 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ksf h ALA 17 CO -0.07 0.22 -0.52 0.77 0.00 0.00 0.00 179.25 179.66 3ksf h SER 18 N 0.86 1.00 -0.86 0.00 0.02 -1.10 -2.75 113.55 110.71 3ksf h SER 18 Ca 0.27 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3ksf h SER 18 Cb 0.00 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.19 3ksf h SER 18 CO -0.10 1.32 0.53 0.25 -1.14 0.00 0.00 176.83 177.69 3ksf h LEU 19 N 0.70 0.83 -3.16 5.07 7.12 -0.48 -2.41 115.31 122.97 3ksf h LEU 19 Ca 0.02 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.06 3ksf h LEU 19 Cb 1.12 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 3ksf h LEU 19 CO 0.12 0.52 0.00 2.30 -0.13 0.00 0.00 178.44 181.25 3ksf n ILE 20 N -4.63 1.89 -1.73 4.05 -5.35 -1.09 -4.99 119.36 107.51 3ksf n ILE 20 Ca 0.13 -1.27 -0.42 0.00 -0.27 0.00 0.00 62.75 60.91 3ksf n ILE 20 Cb 0.19 0.09 -0.01 0.00 -1.74 0.00 0.00 39.64 38.18 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 0.87 2.40 -1.15 6.28 2.13 -0.91 -1.88 120.64 128.37 3ksf n GLU 21 Ca 0.24 0.84 -0.05 0.00 0.66 0.00 0.00 57.16 58.85 3ksf n GLU 21 Cb 0.88 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 30.04 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 1.10 -4.90 -4.35 4.31 10.43 -1.26 -4.99 116.55 116.88 3ksf n ASP 22 Ca 0.05 0.13 -0.30 0.00 2.57 0.00 0.00 54.79 57.24 3ksf n ASP 22 Cb 0.36 -2.87 -0.15 0.00 1.84 0.00 0.00 41.12 40.30 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 -2.05 1.92 0.00 -1.24 0.41 -0.79 -5.00 118.70 111.96 3ksf s GLU 23 Ca 0.00 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.52 3ksf s GLU 23 Cb 0.00 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 3ksf s GLU 23 CO 0.00 0.53 0.00 0.72 -0.49 0.00 0.00 175.26 176.02 3ksf n HIS 24 N 1.92 0.00 -1.83 1.61 8.25 -1.26 -4.81 115.22 119.09 3ksf n HIS 24 Ca -0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.87 3ksf n HIS 24 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.32 1.56 0.16 4.41 5.04 -1.26 -4.77 115.29 120.11 3ksf s HIS 25 Ca 0.00 0.41 -0.16 0.00 -1.54 0.00 0.00 55.06 53.77 3ksf s HIS 25 Cb 0.00 -4.04 0.06 0.00 0.04 0.00 0.00 32.58 28.64 3ksf s HIS 25 CO 0.00 -3.77 1.77 1.98 -2.34 0.00 0.00 174.74 172.37 3ksf h MET 26 N 12.81 0.33 -0.67 2.88 4.05 -1.96 -1.62 114.93 130.75 3ksf h MET 26 Ca -0.39 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 58.94 3ksf h MET 26 Cb 1.20 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.90 3ksf h MET 26 CO 0.98 0.22 0.15 0.82 0.23 0.00 0.00 176.91 179.31 3ksf h ILE 27 N 0.34 1.26 -0.53 1.77 1.08 -1.99 0.95 117.51 120.39 3ksf h ILE 27 Ca 0.16 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.60 3ksf h ILE 27 Cb 0.10 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3ksf h ILE 27 CO -0.14 0.37 0.11 0.00 -0.69 0.00 0.00 178.15 177.80 3ksf h ALA 28 N 1.13 0.70 -0.15 1.87 0.00 -1.92 -0.04 119.26 120.84 3ksf h ALA 28 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ksf h ALA 28 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ksf h ALA 28 CO 0.00 0.42 0.06 0.82 0.00 0.00 0.00 179.25 180.55 3ksf h ILE 29 N 0.75 1.16 -0.48 0.00 2.04 -1.00 -1.54 117.51 118.44 3ksf h ILE 29 Ca 0.16 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3ksf h ILE 29 Cb 0.37 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3ksf h ILE 29 CO 0.01 0.15 0.13 -0.07 0.00 0.00 0.00 178.15 178.37 3ksf h LEU 30 N 0.09 0.67 0.33 1.44 4.07 -0.69 0.43 115.31 121.64 3ksf h LEU 30 Ca 0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3ksf h LEU 30 Cb 0.19 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.76 3ksf h LEU 30 CO -0.00 0.65 -0.16 0.28 -1.08 0.00 0.00 178.44 178.13 3ksf h SER 31 N 0.70 -0.37 -0.32 -0.43 0.02 -0.77 -1.18 113.55 111.20 3ksf h SER 31 Ca 0.16 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3ksf h SER 31 Cb 0.24 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3ksf h SER 31 CO -0.00 -0.07 -0.00 0.78 -1.14 0.00 0.00 176.83 176.39 3ksf h ASN 32 N -0.68 0.63 -0.02 3.07 2.35 -1.19 -2.50 115.58 117.24 3ksf h ASN 32 Ca -0.04 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 3ksf h ASN 32 Cb 0.48 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3ksf h ASN 32 CO 0.07 0.71 -0.26 0.24 -1.65 0.00 0.00 177.43 176.54 3ksf h MET 33 N 0.63 0.45 -0.71 0.81 2.86 -0.86 0.19 114.93 118.30 3ksf h MET 33 Ca 0.13 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3ksf h MET 33 Cb 0.40 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3ksf h MET 33 CO 0.02 0.68 0.26 0.66 1.06 0.00 0.00 176.91 179.59 3ksf h SER 34 N 0.40 1.00 -0.20 1.22 4.64 -0.77 -1.23 113.55 118.60 3ksf h SER 34 Ca 0.06 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3ksf h SER 34 Cb 0.67 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3ksf h SER 34 CO 0.05 0.91 -0.05 0.00 -0.87 0.00 0.00 176.83 176.87 3ksf h ALA 35 N 1.12 0.28 -0.24 5.18 0.00 -1.20 -1.15 119.26 123.25 3ksf h ALA 35 Ca 0.23 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ksf h ALA 35 Cb 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3ksf h ALA 35 CO -0.02 0.06 -0.07 1.25 0.00 0.00 0.00 179.25 180.47 3ksf h LEU 36 N 0.11 -0.24 -0.16 0.00 5.85 -0.72 -0.46 115.31 119.69 3ksf h LEU 36 Ca 0.05 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ksf h LEU 36 Cb 0.50 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3ksf h LEU 36 CO 0.02 -0.09 0.08 -0.07 -0.34 0.00 0.00 178.44 178.04 3ksf h LEU 37 N -0.01 0.21 -1.32 2.25 3.38 -1.22 -2.58 115.31 116.01 3ksf h LEU 37 Ca 0.12 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3ksf h LEU 37 Cb 0.19 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3ksf h LEU 37 CO -0.25 0.27 0.56 -1.13 0.09 0.00 0.00 178.44 177.97 3ksf h ASN 38 N 0.13 0.63 1.06 -0.43 -1.24 -0.83 -0.41 115.58 114.49 3ksf h ASN 38 Ca 0.06 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3ksf h ASN 38 Cb 0.11 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.07 3ksf h ASN 38 CO -0.01 0.33 0.00 0.47 -1.29 0.00 0.00 177.43 176.94 3ksf n ASP 39 N -4.54 0.33 0.00 1.15 8.00 -0.22 -3.94 116.55 117.33 3ksf n ASP 39 Ca 0.16 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.20 3ksf n ASP 39 Cb 0.44 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.82 0.87 -4.34 -2.24 3.02 -0.29 -4.97 115.26 105.48 3ksf n ASN 40 Ca 0.06 -1.01 -0.35 0.00 -0.03 0.00 0.00 54.58 53.24 3ksf n ASN 40 Cb 0.34 0.00 -0.14 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 -0.01 2.99 0.40 3.41 1.43 -0.45 -4.79 118.68 121.66 3ksf s LEU 41 Ca 0.00 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3ksf s LEU 41 Cb 0.00 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3ksf s LEU 41 CO 0.00 -0.01 0.69 -0.62 0.23 0.00 0.00 176.35 176.64 3ksf s ASP 42 N 1.41 6.35 -1.25 2.29 2.15 -1.26 -4.41 116.67 121.94 3ksf s ASP 42 Ca 0.05 0.83 -0.07 0.00 0.43 0.00 0.00 52.55 53.79 3ksf s ASP 42 Cb -0.14 -2.20 0.01 0.00 -0.30 0.00 0.00 42.92 40.29 3ksf s ASP 42 CO -0.02 -0.42 1.09 1.67 -0.17 0.00 0.00 175.17 177.32 3ksf n GLN 43 N -1.75 -7.30 -4.43 4.34 -0.06 -1.26 -4.85 117.38 102.08 3ksf n GLN 43 Ca -0.01 0.79 -0.24 0.00 -2.00 0.00 0.00 57.00 55.54 3ksf n GLN 43 Cb 0.55 -5.70 -0.09 0.00 -4.06 0.00 0.00 30.24 20.93 3ksf n GLN 43 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3ksf s ILE 44 N -3.31 2.65 -0.12 1.69 -4.36 -1.26 -4.37 121.20 112.12 3ksf s ILE 44 Ca 0.44 -2.22 0.06 0.00 -0.26 0.00 0.00 60.65 58.67 3ksf s ILE 44 Cb -0.19 -2.53 -0.12 0.00 1.25 0.00 0.00 42.46 40.87 3ksf s ILE 44 CO 0.69 -0.34 -0.03 -3.20 0.24 0.00 0.00 174.94 172.30 3ksf n ASN 45 N -0.75 2.55 -3.60 4.36 5.15 0.15 -4.75 115.26 118.37 3ksf n ASN 45 Ca -0.05 -0.03 -0.15 0.00 -0.60 0.00 0.00 54.58 53.74 3ksf n ASN 45 Cb 0.61 0.33 -0.07 0.00 -0.53 0.00 0.00 39.78 40.12 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 -2.27 -0.66 -0.14 1.20 -0.00 -1.06 -4.73 118.94 111.28 3ksf s TRP 46 Ca -0.11 1.41 -0.06 0.00 -0.00 0.00 0.00 56.10 57.33 3ksf s TRP 46 Cb 0.04 0.30 0.06 0.00 -0.00 0.00 0.00 33.47 33.87 3ksf s TRP 46 CO 0.40 -0.46 0.30 0.54 -0.00 0.00 0.00 176.95 177.73 3ksf s VAL 47 N -0.39 -0.24 0.00 5.86 0.11 -1.05 -1.36 120.40 123.33 3ksf s VAL 47 Ca -0.05 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 3ksf s VAL 47 Cb -0.03 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 3ksf s VAL 47 CO 0.05 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 3ksf n GLY 48 N 4.76 0.94 3.25 6.54 0.00 -0.14 -0.57 105.19 119.98 3ksf n GLY 48 Ca -0.16 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.83 1.50 0.00 1.61 0.08 -0.21 -0.43 117.98 116.70 3ksf s PHE 49 Ca 0.00 -0.50 0.07 0.00 0.12 0.00 0.00 56.93 56.62 3ksf s PHE 49 Cb 0.00 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 3ksf s PHE 49 CO 0.00 0.17 -0.21 0.71 -0.10 0.00 0.00 175.22 175.79 3ksf s TYR 50 N -1.79 1.86 -0.10 0.36 1.51 -0.75 -0.36 117.35 118.08 3ksf s TYR 50 Ca 0.07 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 3ksf s TYR 50 Cb -0.07 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3ksf s TYR 50 CO 0.04 0.01 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.92 3ksf s LEU 51 N -0.71 3.19 -0.41 -1.29 1.43 0.14 -0.79 118.68 120.24 3ksf s LEU 51 Ca 0.08 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 3ksf s LEU 51 Cb -0.08 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3ksf s LEU 51 CO 0.00 0.30 1.15 -0.22 0.23 0.00 0.00 176.35 177.81 3ksf s LEU 52 N -0.41 3.75 -0.05 1.79 0.20 -0.64 0.38 118.68 123.69 3ksf s LEU 52 Ca 0.06 0.74 -0.03 0.00 0.69 0.00 0.00 54.13 55.60 3ksf s LEU 52 Cb -0.12 -3.55 0.03 0.00 -0.43 0.00 0.00 46.19 42.12 3ksf s LEU 52 CO 0.02 -1.13 0.12 -1.61 -0.29 0.00 0.00 176.35 173.46 3ksf s GLU 53 N 4.21 0.08 -1.39 1.98 2.02 0.93 -4.83 118.70 121.70 3ksf s GLU 53 Ca 0.49 0.30 -0.07 0.00 0.02 0.00 0.00 54.97 55.72 3ksf s GLU 53 Cb -0.10 -0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.03 3ksf s GLU 53 CO 0.26 -0.13 0.92 1.04 0.02 0.00 0.00 175.26 177.36 3ksf n GLN 54 N 3.95 -5.83 -3.53 1.61 1.13 -1.26 -2.30 117.38 111.16 3ksf n GLN 54 Ca -0.24 0.67 -0.24 0.00 -1.94 0.00 0.00 57.00 55.25 3ksf n GLN 54 Cb 0.53 -5.48 0.07 0.00 0.11 0.00 0.00 30.24 25.46 3ksf n GLN 54 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3ksf n ASN 55 N -2.98 -6.17 -3.51 1.08 3.02 -1.26 -4.98 115.26 100.46 3ksf n ASN 55 Ca -0.12 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 53.81 3ksf n ASN 55 Cb 0.60 -4.88 -0.02 0.00 -0.61 0.00 0.00 39.78 34.87 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 -6.24 1.16 -0.18 3.52 -1.05 -0.97 -4.43 118.70 110.51 3ksf s GLU 56 Ca 0.55 -0.47 -0.16 0.00 -0.15 0.00 0.00 54.97 54.74 3ksf s GLU 56 Cb -0.25 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 3ksf s GLU 56 CO 0.67 -0.51 0.38 -0.51 0.95 0.00 0.00 175.26 176.25 3ksf s LEU 57 N -2.69 4.19 -0.11 1.83 1.43 -0.22 -0.05 118.68 123.07 3ksf s LEU 57 Ca 0.04 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3ksf s LEU 57 Cb -0.01 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 3ksf s LEU 57 CO -0.09 -0.03 -0.12 -0.63 0.23 0.00 0.00 176.35 175.72 3ksf s ILE 58 N 1.04 3.21 0.15 -0.59 -1.09 0.16 -1.43 121.20 122.64 3ksf s ILE 58 Ca 0.19 -0.62 -0.34 0.00 -2.23 0.00 0.00 60.65 57.64 3ksf s ILE 58 Cb -0.14 -2.33 -0.15 0.00 -1.58 0.00 0.00 42.46 38.26 3ksf s ILE 58 CO 0.07 0.54 1.47 -0.11 -1.23 0.00 0.00 174.94 175.69 3ksf n LEU 59 N 3.16 2.60 0.00 2.97 7.94 -0.26 0.26 117.00 133.67 3ksf n LEU 59 Ca -0.18 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 3ksf n LEU 59 Cb 0.53 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.13 3ksf n LEU 59 CO 0.29 -0.57 0.00 0.61 -1.11 0.00 0.00 177.39 176.61 3ksf n GLY 60 N 2.98 6.85 3.68 -3.96 0.00 0.52 -4.78 105.19 110.48 3ksf n GLY 60 Ca 0.17 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.01 1.64 -3.56 1.61 -0.02 -1.26 -4.55 135.00 128.84 3ksf n PRO 61 Ca 0.00 0.59 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 3ksf n PRO 61 Cb 0.00 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 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 -1.28 -0.35 -0.19 6.00 -0.12 -1.26 -1.04 117.98 119.74 3ksf s PHE 62 Ca 0.66 0.13 -0.01 0.00 -0.05 0.00 0.00 56.93 57.66 3ksf s PHE 62 Cb -0.48 0.58 0.01 0.00 -0.63 0.00 0.00 43.02 42.49 3ksf s PHE 62 CO 0.54 -0.75 -0.13 -0.65 -0.05 0.00 0.00 175.22 174.18 3ksf s GLN 63 N -3.41 3.18 0.00 1.99 -1.52 0.27 -4.97 119.66 115.20 3ksf s GLN 63 Ca 0.06 -0.74 0.00 0.00 -1.95 0.00 0.00 55.36 52.73 3ksf s GLN 63 Cb -0.02 -2.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 3ksf s GLN 63 CO -0.07 -0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.23 3ksf n GLY 64 N 4.57 0.46 3.90 3.09 0.00 -1.26 -2.53 105.19 113.43 3ksf n GLY 64 Ca -0.20 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.08 3.55 0.54 1.61 3.76 -1.26 -5.02 115.29 115.39 3ksf s HIS 65 Ca 0.00 0.83 -0.19 0.00 -0.15 0.00 0.00 55.06 55.55 3ksf s HIS 65 Cb 0.00 -2.31 -0.09 0.00 1.11 0.00 0.00 32.58 31.30 3ksf s HIS 65 CO 0.00 -0.23 0.67 -2.30 -0.85 0.00 0.00 174.74 172.02 3ksf n PRO 66 N -2.08 0.69 -4.26 8.40 -0.02 -1.26 -5.00 135.00 131.46 3ksf n PRO 66 Ca 0.01 0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 3ksf n PRO 66 Cb 0.55 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.60 1.46 0.26 3.55 0.00 -1.26 -5.12 121.76 119.05 3ksf s ALA 67 Ca 0.69 -1.71 -0.31 0.00 0.00 0.00 0.00 51.96 50.63 3ksf s ALA 67 Cb -0.47 0.86 -0.13 0.00 0.00 0.00 0.00 23.12 23.38 3ksf s ALA 67 CO 0.54 -0.41 1.50 0.00 0.00 0.00 0.00 175.76 177.38 3ksf h VAL 69 N 3.21 1.62 -3.29 0.00 2.07 -1.98 -3.43 116.25 114.45 3ksf h VAL 69 Ca -0.46 -2.41 -0.63 0.00 0.82 0.00 0.00 66.70 64.02 3ksf h VAL 69 Cb 1.25 3.23 -0.18 0.00 -1.52 0.00 0.00 31.29 34.07 3ksf h VAL 69 CO 0.78 0.66 -0.62 -1.00 0.02 0.00 0.00 177.57 177.42 3ksf s HIS 70 N -2.43 3.14 -0.11 1.57 3.76 -1.26 -1.10 115.29 118.87 3ksf s HIS 70 Ca -0.16 -0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.68 3ksf s HIS 70 Cb -0.01 -1.98 0.03 0.00 1.11 0.00 0.00 32.58 31.73 3ksf s HIS 70 CO 0.77 0.12 -0.06 0.42 -0.85 0.00 0.00 174.74 175.14 3ksf s ILE 71 N 0.16 0.91 0.35 0.60 1.01 -0.51 -5.01 121.20 118.71 3ksf s ILE 71 Ca 0.01 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 3ksf s ILE 71 Cb -0.13 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.29 3ksf s ILE 71 CO 0.02 0.35 1.21 -2.84 0.00 0.00 0.00 174.94 173.67 3ksf s PRO 72 N 1.74 4.31 0.26 2.79 0.02 -1.26 -1.05 135.00 141.80 3ksf s PRO 72 Ca 0.05 1.98 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 3ksf s PRO 72 Cb -0.13 -2.95 -0.11 0.00 0.02 0.00 0.00 34.50 31.33 3ksf s PRO 72 CO -0.08 -0.14 1.61 0.42 -0.33 0.00 0.00 177.00 178.48 3ksf s ILE 73 N -1.25 2.13 0.00 2.83 1.01 -1.26 -1.52 121.20 123.15 3ksf s ILE 73 Ca 0.51 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.27 3ksf s ILE 73 Cb -0.34 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3ksf s ILE 73 CO 0.45 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3ksf n GLY 74 N 2.69 1.51 3.53 6.18 0.00 0.54 -4.93 105.19 114.70 3ksf n GLY 74 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.73 2.90 0.18 1.61 2.20 -0.57 -4.38 119.74 120.95 3ksf s LYS 75 Ca 0.00 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 3ksf s LYS 75 Cb 0.00 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 3ksf s LYS 75 CO 0.00 0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.96 3ksf n GLY 76 N 2.54 -2.26 0.37 5.54 0.00 -1.26 -1.48 105.19 108.65 3ksf n GLY 76 Ca -0.18 -1.35 0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.51 1.11 -0.03 1.61 2.07 -1.93 0.16 116.25 118.75 3ksf h VAL 77 Ca -0.04 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3ksf h VAL 77 Cb 0.50 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3ksf h VAL 77 CO 0.02 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.81 3ksf h GLY 79 N -0.37 0.46 1.86 0.00 0.00 -1.00 -2.27 103.07 101.75 3ksf h GLY 79 Ca 0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 3ksf h GLY 79 CO 0.00 0.24 -0.55 -0.84 0.00 0.00 0.00 176.54 175.40 3ksf h THR 80 N 0.41 1.38 -0.23 4.70 2.02 -0.95 0.18 112.91 120.42 3ksf h THR 80 Ca 0.09 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.39 3ksf h THR 80 Cb 0.28 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3ksf h THR 80 CO 0.01 0.54 0.06 0.00 0.37 0.00 0.00 175.52 176.50 3ksf h ALA 81 N 1.33 1.67 0.10 6.16 0.00 -0.85 0.99 119.26 128.65 3ksf h ALA 81 Ca -0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3ksf h ALA 81 Cb 1.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ksf h ALA 81 CO 0.08 0.25 -0.78 0.28 0.00 0.00 0.00 179.25 179.08 3ksf h VAL 82 N 0.32 1.44 -0.32 0.00 2.07 -1.40 -1.57 116.25 116.79 3ksf h VAL 82 Ca 0.08 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3ksf h VAL 82 Cb 0.13 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3ksf h VAL 82 CO -0.00 0.66 0.21 0.77 0.02 0.00 0.00 177.57 179.23 3ksf h SER 83 N -0.54 0.37 0.25 0.57 4.64 -0.94 -1.74 113.55 116.16 3ksf h SER 83 Ca -0.16 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3ksf h SER 83 Cb 1.50 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3ksf h SER 83 CO 0.07 0.27 -0.10 -0.62 -0.87 0.00 0.00 176.83 175.58 3ksf n GLU 84 N -4.87 0.88 -4.04 4.77 1.02 0.32 -4.94 120.64 113.79 3ksf n GLU 84 Ca -0.01 -0.34 -0.29 0.00 -0.02 0.00 0.00 57.16 56.50 3ksf n GLU 84 Cb 0.03 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.76 -3.36 -3.59 3.49 1.74 -0.65 -4.95 116.66 108.57 3ksf n ARG 85 Ca 0.16 0.40 -0.13 0.00 -0.77 0.00 0.00 57.85 57.51 3ksf n ARG 85 Cb 0.28 -4.74 -0.05 0.00 -1.02 0.00 0.00 32.46 26.93 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 -6.68 1.03 0.46 5.56 1.70 -0.67 -5.02 118.95 115.33 3ksf s ARG 86 Ca 0.26 -0.34 -0.25 0.00 -0.47 0.00 0.00 55.73 54.93 3ksf s ARG 86 Cb -0.14 0.47 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 3ksf s ARG 86 CO 0.90 -0.38 1.44 2.41 -1.08 0.00 0.00 175.30 178.59 3ksf n THR 87 N 0.30 2.85 -4.42 4.99 -1.04 -1.26 -4.48 114.28 111.21 3ksf n THR 87 Ca -0.18 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.00 3ksf n THR 87 Cb 0.61 -1.86 -0.16 0.00 -1.82 0.00 0.00 70.33 67.10 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 -2.48 3.08 -0.31 -2.82 -1.52 0.02 -4.98 119.66 110.65 3ksf s GLN 88 Ca 0.62 -0.81 0.03 0.00 -1.95 0.00 0.00 55.36 53.25 3ksf s GLN 88 Cb -0.44 -2.56 0.09 0.00 -0.22 0.00 0.00 33.01 29.88 3ksf s GLN 88 CO 0.57 -0.08 0.01 0.08 -0.25 0.00 0.00 175.29 175.63 3ksf s VAL 89 N 1.00 2.01 -0.29 1.09 1.01 -1.26 -0.82 120.40 123.14 3ksf s VAL 89 Ca -0.02 -1.99 -0.09 0.00 0.00 0.00 0.00 61.98 59.88 3ksf s VAL 89 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3ksf s VAL 89 CO -0.05 -0.45 0.14 -0.69 0.00 0.00 0.00 175.10 174.05 3ksf s VAL 90 N 1.07 4.63 -0.00 2.92 1.01 0.47 -4.97 120.40 125.53 3ksf s VAL 90 Ca 0.05 -0.29 0.22 0.00 0.00 0.00 0.00 61.98 61.97 3ksf s VAL 90 Cb -0.19 -3.29 0.22 0.00 0.00 0.00 0.00 36.38 33.11 3ksf s VAL 90 CO -0.09 0.15 1.72 0.00 0.00 0.00 0.00 175.10 176.88 3ksf h ALA 91 N 8.33 0.94 -1.55 5.51 0.00 -1.89 0.31 119.26 130.90 3ksf h ALA 91 Ca -0.34 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 3ksf h ALA 91 Cb 1.16 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.64 3ksf h ALA 91 CO 0.60 0.31 -0.52 0.34 0.00 0.00 0.00 179.25 179.98 3ksf s ASP 92 N -6.22 -0.04 0.53 0.00 3.68 -1.25 -0.25 116.67 113.12 3ksf s ASP 92 Ca 0.02 -0.44 0.26 0.00 2.13 0.00 0.00 52.55 54.52 3ksf s ASP 92 Cb 0.09 1.28 1.41 0.00 -1.45 0.00 0.00 42.92 44.25 3ksf s ASP 92 CO 0.66 -0.32 1.99 -0.37 0.13 0.00 0.00 175.17 177.25 3ksf h VAL 93 N 5.93 0.71 0.00 1.11 -1.51 -1.04 -1.07 116.25 120.38 3ksf h VAL 93 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 3ksf h VAL 93 Cb 1.13 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3ksf h VAL 93 CO 0.22 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 177.01 3ksf h HIS 94 N 0.00 0.00 -0.02 5.19 3.86 -1.89 -0.13 115.15 122.16 3ksf h HIS 94 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3ksf h HIS 94 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3ksf h HIS 94 CO 0.00 0.00 -0.24 1.04 0.86 0.00 0.00 177.93 179.59 3ksf n GLN 95 N -2.79 1.61 -2.44 2.45 6.02 -0.41 -4.91 117.38 116.91 3ksf n GLN 95 Ca -0.02 -1.22 -0.42 0.00 -0.01 0.00 0.00 57.00 55.33 3ksf n GLN 95 Cb 0.09 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 3ksf n GLN 95 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3ksf s PHE 96 N -1.97 3.47 -0.48 1.08 2.19 -0.06 -4.88 117.98 117.33 3ksf s PHE 96 Ca 0.19 1.39 -0.43 0.00 0.33 0.00 0.00 56.93 58.41 3ksf s PHE 96 Cb 0.16 -3.39 -0.18 0.00 -1.31 0.00 0.00 43.02 38.30 3ksf s PHE 96 CO 0.39 -1.11 1.95 1.17 1.83 0.00 0.00 175.22 179.45 3ksf n LYS 97 N 3.38 0.00 -3.21 10.12 3.00 -1.26 -2.46 118.16 127.73 3ksf n LYS 97 Ca 0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.14 3ksf n LYS 97 Cb 0.46 -1.44 0.03 0.00 0.00 0.00 0.00 35.03 34.08 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 6.51 -0.56 3.81 3.14 0.00 -1.26 -4.76 105.19 112.08 3ksf n GLY 98 Ca 0.48 1.17 -0.36 0.00 0.00 0.00 0.00 46.02 47.30 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 -1.94 3.45 -0.93 1.61 2.46 -1.03 -4.50 115.29 114.41 3ksf s HIS 99 Ca 0.31 0.41 -0.24 0.00 0.47 0.00 0.00 55.06 56.01 3ksf s HIS 99 Cb -0.05 -1.89 0.03 0.00 -0.13 0.00 0.00 32.58 30.54 3ksf s HIS 99 CO 0.81 0.64 1.50 0.96 -2.47 0.00 0.00 174.74 176.18 3ksf s ILE 100 N -0.97 3.80 -1.23 0.89 -4.36 -1.26 -4.92 121.20 113.15 3ksf s ILE 100 Ca 0.14 -0.44 -0.20 0.00 -0.26 0.00 0.00 60.65 59.89 3ksf s ILE 100 Cb -0.12 -4.86 -0.02 0.00 1.25 0.00 0.00 42.46 38.72 3ksf s ILE 100 CO 0.03 -1.76 1.86 0.00 0.24 0.00 0.00 174.94 175.32 3ksf n ALA 101 N 9.78 2.78 -0.02 2.27 0.00 -1.26 -4.42 120.51 129.64 3ksf n ALA 101 Ca 0.28 -3.42 -0.02 0.00 0.00 0.00 0.00 53.44 50.27 3ksf n ALA 101 Cb 0.50 -3.54 -0.04 0.00 0.00 0.00 0.00 19.45 16.37 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 -3.50 4.91 0.56 0.00 -1.08 -1.26 -4.98 116.67 111.32 3ksf s ASP 103 Ca -0.02 -0.87 0.25 0.00 -0.52 0.00 0.00 52.55 51.39 3ksf s ASP 103 Cb 0.01 -1.80 1.51 0.00 -1.46 0.00 0.00 42.92 41.18 3ksf s ASP 103 CO 0.19 -0.20 2.08 0.00 0.52 0.00 0.00 175.17 177.75 3ksf h ALA 104 N 8.15 2.04 -0.53 3.66 0.00 -1.98 -2.27 119.26 128.33 3ksf h ALA 104 Ca -0.29 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3ksf h ALA 104 Cb 1.11 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3ksf h ALA 104 CO 0.59 -0.35 0.13 0.09 0.00 0.00 0.00 179.25 179.71 3ksf n ASN 105 N -4.10 4.06 -4.26 0.00 3.02 -1.26 -4.81 115.26 107.91 3ksf n ASN 105 Ca 0.03 -3.29 -0.44 0.00 -0.03 0.00 0.00 54.58 50.86 3ksf n ASN 105 Cb 0.37 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.61 5.99 -0.14 6.41 0.15 -0.86 -3.22 113.70 120.42 3ksf s SER 106 Ca 0.49 -1.93 0.00 0.00 0.70 0.00 0.00 55.95 55.21 3ksf s SER 106 Cb 0.41 -2.11 -0.09 0.00 -1.71 0.00 0.00 66.02 62.52 3ksf s SER 106 CO 0.09 -0.76 -0.13 1.17 1.20 0.00 0.00 173.24 174.82 3ksf n LYS 107 N 4.97 0.35 -4.21 5.44 3.00 0.50 -4.81 118.16 123.39 3ksf n LYS 107 Ca -0.09 0.09 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 3ksf n LYS 107 Cb 0.41 -1.25 -0.10 0.00 0.00 0.00 0.00 35.03 34.08 3ksf n LYS 107 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3ksf s SER 108 N -5.47 1.59 0.17 3.14 1.04 -1.02 -0.52 113.70 112.64 3ksf s SER 108 Ca -0.19 -0.94 -0.20 0.00 0.48 0.00 0.00 55.95 55.10 3ksf s SER 108 Cb 0.05 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.23 3ksf s SER 108 CO 0.32 -0.32 0.55 -0.70 0.98 0.00 0.00 173.24 174.07 3ksf s GLU 109 N -3.41 1.30 -0.04 4.02 2.12 0.10 -0.62 118.70 122.16 3ksf s GLU 109 Ca 0.12 -0.64 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 3ksf s GLU 109 Cb 0.01 0.55 0.02 0.00 0.26 0.00 0.00 34.13 34.98 3ksf s GLU 109 CO -0.00 -0.56 0.09 -1.50 -0.54 0.00 0.00 175.26 172.75 3ksf s ILE 110 N -3.80 -0.03 -0.09 -3.70 2.07 -0.07 -0.40 121.20 115.18 3ksf s ILE 110 Ca 0.04 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 3ksf s ILE 110 Cb -0.01 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.45 3ksf s ILE 110 CO -0.09 0.05 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.23 3ksf s VAL 111 N 0.71 0.91 -0.18 4.00 1.01 -0.00 -1.46 120.40 125.39 3ksf s VAL 111 Ca -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 3ksf s VAL 111 Cb -0.08 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3ksf s VAL 111 CO -0.03 0.34 -0.08 -0.69 0.00 0.00 0.00 175.10 174.64 3ksf s VAL 112 N 1.48 3.30 0.41 2.92 1.01 -0.00 -0.80 120.40 128.73 3ksf s VAL 112 Ca -0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 3ksf s VAL 112 Cb -0.13 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 3ksf s VAL 112 CO -0.05 0.47 1.19 -2.84 0.00 0.00 0.00 175.10 173.87 3ksf s PRO 113 N 0.92 3.98 -0.15 2.72 0.02 -1.26 -0.53 135.00 140.70 3ksf s PRO 113 Ca -0.01 1.88 -0.01 0.00 0.02 0.00 0.00 61.00 62.87 3ksf s PRO 113 Cb -0.15 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.72 3ksf s PRO 113 CO 0.00 -0.39 -0.11 0.42 -0.33 0.00 0.00 177.00 176.59 3ksf s ILE 114 N -1.41 3.12 0.16 2.83 1.01 0.11 -4.88 121.20 122.15 3ksf s ILE 114 Ca 0.58 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.68 3ksf s ILE 114 Cb -0.31 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3ksf s ILE 114 CO 0.39 0.50 -0.00 -0.36 0.00 0.00 0.00 174.94 175.48 3ksf s PHE 115 N 0.60 2.85 -0.15 3.97 0.40 -1.26 -0.15 117.98 124.24 3ksf s PHE 115 Ca -0.07 -0.13 -0.07 0.00 -0.60 0.00 0.00 56.93 56.07 3ksf s PHE 115 Cb -0.15 -1.39 0.06 0.00 0.51 0.00 0.00 43.02 42.05 3ksf s PHE 115 CO 0.03 0.51 0.33 0.21 0.70 0.00 0.00 175.22 177.00 3ksf s LYS 116 N -2.87 0.27 -1.37 0.44 2.20 -0.17 -4.85 119.74 113.39 3ksf s LYS 116 Ca 0.27 0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 56.57 3ksf s LYS 116 Cb -0.10 0.02 0.04 0.00 -1.51 0.00 0.00 37.83 36.29 3ksf s LYS 116 CO 0.18 -0.21 0.51 -0.25 -0.36 0.00 0.00 175.35 175.23 3ksf n ASP 117 N 4.75 -4.61 -0.87 1.43 8.00 -1.26 -1.19 116.55 122.80 3ksf n ASP 117 Ca -0.17 -0.33 -0.11 0.00 0.71 0.00 0.00 54.79 54.89 3ksf n ASP 117 Cb 0.52 -3.77 -0.05 0.00 -0.02 0.00 0.00 41.12 37.80 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 -2.36 -4.39 -4.24 -2.24 8.00 -1.26 -5.02 116.55 105.05 3ksf n ASP 118 Ca -0.06 0.28 -0.27 0.00 0.71 0.00 0.00 54.79 55.46 3ksf n ASP 118 Cb 0.57 -2.88 -0.15 0.00 -0.02 0.00 0.00 41.12 38.64 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 -2.94 1.60 -0.11 -1.24 1.02 -0.33 -5.09 119.74 112.65 3ksf s LYS 119 Ca 0.00 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 3ksf s LYS 119 Cb 0.00 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 3ksf s LYS 119 CO 0.00 0.43 1.36 0.42 -0.92 0.00 0.00 175.35 176.64 3ksf s ILE 120 N -0.59 4.06 -1.68 2.17 1.01 -1.26 -1.00 121.20 123.90 3ksf s ILE 120 Ca 0.08 1.31 0.15 0.00 0.00 0.00 0.00 60.65 62.19 3ksf s ILE 120 Cb -0.08 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.61 3ksf s ILE 120 CO 0.00 -0.10 0.91 2.30 0.00 0.00 0.00 174.94 178.06 3ksf n ILE 121 N 5.27 0.00 -3.86 2.92 -5.35 0.78 -4.82 119.36 114.30 3ksf n ILE 121 Ca 0.14 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 3ksf n ILE 121 Cb 0.44 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 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 -1.36 3.17 3.28 0.00 -1.20 -1.62 105.19 108.43 3ksf n GLY 122 Ca 0.08 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.00 0.13 -0.21 1.61 -7.23 0.03 0.07 120.40 111.80 3ksf s VAL 123 Ca 0.00 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.04 3ksf s VAL 123 Cb 0.00 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 3ksf s VAL 123 CO 0.00 -0.57 0.11 -0.22 -0.31 0.00 0.00 175.10 174.11 3ksf s LEU 124 N -2.29 3.97 -0.10 1.32 2.96 0.31 -1.82 118.68 123.03 3ksf s LEU 124 Ca -0.03 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3ksf s LEU 124 Cb 0.00 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3ksf s LEU 124 CO -0.06 0.12 -0.14 -0.62 -1.32 0.00 0.00 176.35 174.34 3ksf s ASP 125 N 0.69 2.26 -0.04 3.68 2.15 0.42 -0.82 116.67 125.01 3ksf s ASP 125 Ca 0.06 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 52.66 3ksf s ASP 125 Cb -0.13 -1.00 0.02 0.00 -0.30 0.00 0.00 42.92 41.52 3ksf s ASP 125 CO 0.01 0.00 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.36 3ksf s ILE 126 N 1.02 0.39 0.21 4.11 1.01 -0.53 -0.96 121.20 126.43 3ksf s ILE 126 Ca -0.07 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.64 3ksf s ILE 126 Cb -0.15 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 3ksf s ILE 126 CO -0.01 0.20 -0.12 1.51 0.00 0.00 0.00 174.94 176.52 3ksf s ASP 127 N 1.14 2.44 0.11 3.58 3.84 -0.46 -0.89 116.67 126.42 3ksf s ASP 127 Ca -0.08 -1.05 0.02 0.00 -0.00 0.00 0.00 52.55 51.44 3ksf s ASP 127 Cb -0.14 -0.11 -0.04 0.00 -1.38 0.00 0.00 42.92 41.25 3ksf s ASP 127 CO -0.01 -0.24 -0.07 0.00 -0.00 0.00 0.00 175.17 174.84 3ksf s ALA 128 N -3.06 1.09 -1.82 2.11 0.00 0.21 0.34 121.76 120.64 3ksf s ALA 128 Ca 0.23 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.86 3ksf s ALA 128 Cb 0.01 0.13 0.16 0.00 0.00 0.00 0.00 23.12 23.42 3ksf s ALA 128 CO 0.07 -0.20 1.08 -0.35 0.00 0.00 0.00 175.76 176.36 3ksf n PRO 129 N -0.06 1.48 -4.24 0.00 -0.04 -1.20 -0.37 135.00 130.57 3ksf n PRO 129 Ca -0.12 -0.64 -0.14 0.00 -0.04 0.00 0.00 63.50 62.56 3ksf n PRO 129 Cb 0.61 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.71 0.68 0.44 0.52 -4.36 -1.26 -4.81 121.20 110.69 3ksf s ILE 130 Ca 0.12 -1.98 -0.22 0.00 -0.26 0.00 0.00 60.65 58.31 3ksf s ILE 130 Cb 0.07 -2.13 -0.09 0.00 1.25 0.00 0.00 42.46 41.55 3ksf s ILE 130 CO 0.07 -0.47 1.01 0.42 0.24 0.00 0.00 174.94 176.21 3ksf s THR 131 N -3.66 3.99 -1.27 8.37 -4.23 -1.26 -3.34 115.64 114.24 3ksf s THR 131 Ca 0.24 1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 61.83 3ksf s THR 131 Cb 0.06 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.35 3ksf s THR 131 CO 0.04 -0.19 0.57 -0.67 -0.54 0.00 0.00 174.62 173.83 3ksf n ASP 132 N -0.58 -3.19 -0.06 3.99 -0.08 0.66 -4.88 116.55 112.41 3ksf n ASP 132 Ca 0.07 -1.24 -0.16 0.00 -1.51 0.00 0.00 54.79 51.96 3ksf n ASP 132 Cb 0.52 -2.01 -0.05 0.00 2.34 0.00 0.00 41.12 41.91 3ksf n ASP 132 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3ksf h ARG 133 N -2.34 0.85 -4.82 -0.67 9.65 -1.83 -3.43 114.38 111.79 3ksf h ARG 133 Ca -0.69 -0.59 -0.66 0.00 -1.10 0.00 0.00 59.98 56.94 3ksf h ARG 133 Cb 1.40 0.09 -0.18 0.00 -1.39 0.00 0.00 29.97 29.88 3ksf h ARG 133 CO 0.55 1.22 -0.51 -0.06 2.80 0.00 0.00 179.97 183.97 3ksf s PHE 134 N -3.99 3.21 0.11 2.20 0.08 -1.26 -5.05 117.98 113.28 3ksf s PHE 134 Ca -0.11 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.86 3ksf s PHE 134 Cb 0.09 -2.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.16 3ksf s PHE 134 CO 0.90 -0.27 0.15 -0.40 -0.10 0.00 0.00 175.22 175.49 3ksf n ASP 135 N 5.06 0.27 0.21 1.36 5.68 -1.26 -4.91 116.55 122.96 3ksf n ASP 135 Ca -0.14 -1.21 0.04 0.00 -0.50 0.00 0.00 54.79 52.98 3ksf n ASP 135 Cb 0.51 -0.09 0.44 0.00 -1.14 0.00 0.00 41.12 40.84 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 -0.05 0.00 0.26 -1.12 3.32 -1.99 -1.78 116.42 115.07 3ksf h ASP 136 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3ksf h ASP 136 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3ksf h ASP 136 CO 0.06 0.28 -0.13 -1.13 -1.72 0.00 0.00 179.24 176.61 3ksf h ASN 137 N 0.00 -0.30 -0.80 6.45 -0.00 -2.00 -1.55 115.58 117.38 3ksf h ASN 137 Ca -0.00 -0.18 0.14 0.00 -0.00 0.00 0.00 56.30 56.26 3ksf h ASN 137 Cb 0.51 0.08 -0.09 0.00 -0.00 0.00 0.00 38.32 38.82 3ksf h ASN 137 CO 0.04 0.03 0.39 0.44 -0.00 0.00 0.00 177.43 178.32 3ksf h ASP 138 N -0.64 0.46 -0.23 1.15 3.32 -1.89 -1.75 116.42 116.84 3ksf h ASP 138 Ca -0.04 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3ksf h ASP 138 Cb 0.46 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3ksf h ASP 138 CO 0.06 0.20 0.04 0.50 -1.72 0.00 0.00 179.24 178.32 3ksf h LYS 139 N 0.58 0.12 -0.10 3.56 3.64 -1.13 -0.19 116.57 123.04 3ksf h LYS 139 Ca 0.43 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 3ksf h LYS 139 Cb 0.60 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3ksf h LYS 139 CO -0.36 0.08 0.04 1.49 -2.27 0.00 0.00 179.45 178.43 3ksf h GLU 140 N 0.12 0.15 -0.10 1.90 4.81 -0.44 -2.07 114.58 118.96 3ksf h GLU 140 Ca 0.10 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3ksf h GLU 140 Cb 0.11 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3ksf h GLU 140 CO -0.14 0.27 -0.53 0.45 -0.73 0.00 0.00 179.01 178.33 3ksf h HIS 141 N 0.00 0.34 -0.30 0.92 3.86 -1.31 -1.44 115.15 117.23 3ksf h HIS 141 Ca 0.03 -0.11 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 3ksf h HIS 141 Cb 0.17 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3ksf h HIS 141 CO -0.01 0.74 -0.41 -0.07 0.86 0.00 0.00 177.93 179.04 3ksf h LEU 142 N 0.21 0.78 -1.28 2.43 3.38 -1.04 0.38 115.31 120.18 3ksf h LEU 142 Ca 0.00 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 3ksf h LEU 142 Cb 1.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3ksf h LEU 142 CO 0.08 1.09 -0.24 -0.33 0.09 0.00 0.00 178.44 179.14 3ksf h GLU 143 N 0.60 0.19 -0.30 1.13 5.08 -1.19 -0.31 114.58 119.78 3ksf h GLU 143 Ca 0.05 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3ksf h GLU 143 Cb 0.96 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3ksf h GLU 143 CO 0.09 0.42 -0.45 0.00 -1.00 0.00 0.00 179.01 178.07 3ksf h ALA 144 N 1.59 0.64 -0.16 3.43 0.00 -0.65 -2.05 119.26 122.05 3ksf h ALA 144 Ca 0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3ksf h ALA 144 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ksf h ALA 144 CO 0.04 0.67 -0.29 0.82 0.00 0.00 0.00 179.25 180.49 3ksf h ILE 145 N 0.62 1.26 -0.25 0.00 2.04 -0.20 -1.67 117.51 119.31 3ksf h ILE 145 Ca 0.04 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 3ksf h ILE 145 Cb 1.02 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3ksf h ILE 145 CO 0.10 0.39 -0.30 0.58 0.00 0.00 0.00 178.15 178.92 3ksf h VAL 146 N 0.28 1.28 -0.30 1.67 2.07 -0.80 -2.14 116.25 118.29 3ksf h VAL 146 Ca 0.04 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 3ksf h VAL 146 Cb 0.66 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3ksf h VAL 146 CO 0.05 0.43 -0.24 0.11 0.02 0.00 0.00 177.57 177.95 3ksf h LYS 147 N 0.44 0.59 -0.62 1.57 1.57 -0.73 0.58 116.57 119.97 3ksf h LYS 147 Ca 0.06 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3ksf h LYS 147 Cb 0.75 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 3ksf h LYS 147 CO 0.06 0.78 0.28 0.82 -0.57 0.00 0.00 179.45 180.81 3ksf h ILE 148 N 0.52 1.22 -0.07 1.86 2.04 -0.89 -0.56 117.51 121.63 3ksf h ILE 148 Ca 0.07 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3ksf h ILE 148 Cb 0.69 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3ksf h ILE 148 CO 0.05 0.26 0.03 0.40 0.00 0.00 0.00 178.15 178.89 3ksf h ILE 149 N 0.85 1.14 -0.95 -0.67 2.04 -0.99 -2.81 117.51 116.12 3ksf h ILE 149 Ca 0.21 -0.41 0.16 0.00 1.00 0.00 0.00 64.86 65.82 3ksf h ILE 149 Cb 0.15 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 3ksf h ILE 149 CO -0.02 0.12 0.60 -0.33 0.00 0.00 0.00 178.15 178.52 3ksf h GLU 150 N -0.04 0.70 -0.64 2.37 5.08 -0.56 -0.85 114.58 120.63 3ksf h GLU 150 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ksf h GLU 150 Cb 0.16 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3ksf h GLU 150 CO -0.00 0.46 0.36 0.87 -1.00 0.00 0.00 179.01 179.70 3ksf h LYS 151 N 0.72 0.88 0.00 2.33 1.79 -0.84 0.05 116.57 121.49 3ksf h LYS 151 Ca 0.50 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.86 3ksf h LYS 151 Cb 0.81 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3ksf h LYS 151 CO -0.26 0.63 -0.12 1.96 -1.08 0.00 0.00 179.45 180.58 3ksf h GLN 152 N 0.89 0.00 0.00 3.15 1.08 -1.12 -3.25 115.11 115.87 3ksf h GLN 152 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 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 -0.04 0.12 -1.15 1.28 -0.95 0.00 0.00 178.83 178.10 3ksf n LEU 153 N -3.15 0.68 0.00 1.46 4.77 -0.83 -4.45 117.00 115.49 3ksf n LEU 153 Ca 0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3ksf n LEU 153 Cb 0.54 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3ksf n LEU 153 CO 0.35 -0.13 0.22 0.00 -1.33 0.00 0.00 177.39 176.50