#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkv s ASN 2 N 0.00 5.23 -0.01 6.12 0.01 -1.26 -1.56 114.94 123.47 3dkv s ASN 2 Ca 0.00 -1.90 0.06 0.00 -0.71 0.00 0.00 52.86 50.31 3dkv s ASN 2 Cb 0.00 -1.82 -0.02 0.00 0.41 0.00 0.00 41.25 39.82 3dkv s ASN 2 CO 0.00 -0.50 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.26 3dkv s ILE 3 N 1.17 1.52 -0.05 0.60 -1.09 -0.65 -0.19 121.20 122.51 3dkv s ILE 3 Ca 0.06 -0.85 0.05 0.00 -2.23 0.00 0.00 60.65 57.69 3dkv s ILE 3 Cb -0.22 -1.27 -0.02 0.00 -1.58 0.00 0.00 42.46 39.37 3dkv s ILE 3 CO -0.03 0.41 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.18 3dkv s VAL 4 N -0.48 2.43 -0.14 2.92 1.01 -0.73 -0.94 120.40 124.46 3dkv s VAL 4 Ca 0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3dkv s VAL 4 Cb -0.07 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3dkv s VAL 4 CO -0.01 0.58 -0.02 -0.76 0.00 0.00 0.00 175.10 174.89 3dkv s LEU 5 N -0.41 3.40 0.22 3.92 1.43 0.59 -0.81 118.68 127.01 3dkv s LEU 5 Ca 0.04 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 3dkv s LEU 5 Cb -0.12 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 3dkv s LEU 5 CO 0.02 0.22 -0.11 0.00 0.23 0.00 0.00 176.35 176.71 3dkv s MET 6 N 0.06 1.36 0.00 1.70 0.23 -0.31 -2.84 119.30 119.50 3dkv s MET 6 Ca 0.01 -1.63 0.00 0.00 -1.03 0.00 0.00 55.69 53.04 3dkv s MET 6 Cb -0.13 -1.06 0.00 0.00 -1.53 0.00 0.00 34.83 32.11 3dkv s MET 6 CO 0.02 0.12 0.00 0.41 -2.03 0.00 0.00 175.02 173.54 3dkv n GLY 7 N -0.42 3.10 3.73 3.16 0.00 -1.26 -1.51 105.19 111.99 3dkv n GLY 7 Ca -0.07 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3dkv n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dkv s LEU 8 N 0.00 3.04 -0.10 0.99 1.43 -1.26 -4.86 118.68 117.92 3dkv s LEU 8 Ca 0.00 2.06 -0.38 0.00 -1.03 0.00 0.00 54.13 54.78 3dkv s LEU 8 Cb 0.00 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.51 3dkv s LEU 8 CO 0.00 -2.44 1.58 -2.65 0.23 0.00 0.00 176.35 173.07 3dkv n PRO 9 N -3.56 1.25 -0.01 1.29 -0.02 -1.26 -1.28 135.00 131.41 3dkv n PRO 9 Ca 0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3dkv n PRO 9 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3dkv n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkv n GLY 10 N 3.49 0.74 0.29 -1.23 0.00 -1.26 -4.87 105.19 102.35 3dkv n GLY 10 Ca 0.23 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.41 3dkv n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkv h ALA 11 N 0.00 1.19 0.00 4.61 0.00 -1.52 -3.46 119.26 120.08 3dkv h ALA 11 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dkv h ALA 11 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dkv h ALA 11 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3dkv n GLY 12 N -0.74 1.80 0.12 0.00 0.00 -1.26 -4.86 105.19 100.26 3dkv n GLY 12 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3dkv n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dkv h LYS 13 N 0.00 -0.06 -0.48 1.61 1.57 -1.90 -0.80 116.57 116.52 3dkv h LYS 13 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3dkv h LYS 13 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3dkv h LYS 13 CO 0.00 -0.04 -0.15 0.78 -0.57 0.00 0.00 179.45 179.48 3dkv h GLY 14 N -0.06 0.98 0.99 3.86 0.00 -1.98 0.38 103.07 107.25 3dkv h GLY 14 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3dkv h GLY 14 CO -0.19 0.73 0.22 -0.84 0.00 0.00 0.00 176.54 176.46 3dkv h THR 15 N 0.80 1.10 -0.41 4.70 2.02 -1.92 -1.43 112.91 117.77 3dkv h THR 15 Ca 0.12 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 3dkv h THR 15 Cb 0.68 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3dkv h THR 15 CO 0.05 0.10 -0.28 1.56 0.37 0.00 0.00 175.52 177.32 3dkv h GLN 16 N 0.45 0.91 -0.87 6.66 1.08 -0.90 -3.17 115.11 119.28 3dkv h GLN 16 Ca 0.12 -0.44 0.07 0.00 -1.45 0.00 0.00 58.65 56.96 3dkv h GLN 16 Cb -0.02 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 3dkv h GLN 16 CO -0.03 1.09 0.54 0.00 -0.95 0.00 0.00 178.83 179.48 3dkv h ALA 17 N 0.80 1.21 -0.65 3.87 0.00 0.04 0.23 119.26 124.76 3dkv h ALA 17 Ca 0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3dkv h ALA 17 Cb 0.87 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3dkv h ALA 17 CO 0.08 0.26 0.23 0.93 0.00 0.00 0.00 179.25 180.74 3dkv h GLU 18 N 0.96 0.98 -0.11 0.00 5.08 -1.25 -1.34 114.58 118.90 3dkv h GLU 18 Ca 0.39 -0.18 -0.20 0.00 -1.00 0.00 0.00 59.36 58.37 3dkv h GLU 18 Cb 0.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3dkv h GLU 18 CO -0.19 0.82 -0.73 0.00 -1.00 0.00 0.00 179.01 177.91 3dkv h ARG 19 N 0.95 0.55 -0.21 2.33 3.08 -1.36 -2.35 114.38 117.37 3dkv h ARG 19 Ca 0.22 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 3dkv h ARG 19 Cb 0.24 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3dkv h ARG 19 CO -0.01 1.07 0.03 0.82 -1.07 0.00 0.00 179.97 180.80 3dkv h ILE 20 N 0.38 1.23 -0.52 2.04 2.04 -0.61 -1.58 117.51 120.49 3dkv h ILE 20 Ca -0.03 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.09 3dkv h ILE 20 Cb 1.32 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 3dkv h ILE 20 CO 0.14 0.24 0.31 0.58 0.00 0.00 0.00 178.15 179.41 3dkv h VAL 21 N 0.15 1.05 -0.68 1.67 2.07 -1.27 0.17 116.25 119.41 3dkv h VAL 21 Ca 0.06 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 3dkv h VAL 21 Cb 0.33 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3dkv h VAL 21 CO 0.00 0.11 0.12 -0.08 0.02 0.00 0.00 177.57 177.75 3dkv h GLU 22 N 0.61 1.11 0.01 1.57 4.81 -1.34 -0.29 114.58 121.06 3dkv h GLU 22 Ca 0.21 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 3dkv h GLU 22 Cb 0.03 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.29 3dkv h GLU 22 CO -0.10 1.00 -0.53 -0.22 -0.73 0.00 0.00 179.01 178.44 3dkv h LYS 23 N 1.04 0.33 -0.00 1.92 1.63 -1.00 -3.39 116.57 117.10 3dkv h LYS 23 Ca 0.21 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 3dkv h LYS 23 Cb 0.42 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3dkv h LYS 23 CO 0.01 1.07 -0.72 0.66 -3.45 0.00 0.00 179.45 177.03 3dkv n TYR 24 N -4.29 0.00 -3.25 1.91 4.01 0.59 -5.03 117.16 111.10 3dkv n TYR 24 Ca -0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.47 3dkv n TYR 24 Cb 0.64 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.74 3dkv n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dkv n GLY 25 N 1.36 -0.21 3.33 2.72 0.00 -0.12 -5.03 105.19 107.23 3dkv n GLY 25 Ca 0.04 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3dkv n GLY 25 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dkv s ILE 26 N -3.27 1.96 0.33 -0.61 -4.36 -1.26 -4.98 121.20 109.01 3dkv s ILE 26 Ca 0.22 -1.59 -0.28 0.00 -0.26 0.00 0.00 60.65 58.75 3dkv s ILE 26 Cb -0.10 -1.74 -0.09 0.00 1.25 0.00 0.00 42.46 41.78 3dkv s ILE 26 CO 0.58 0.06 1.15 -2.16 0.24 0.00 0.00 174.94 174.81 3dkv s PRO 27 N -1.85 4.40 -0.10 0.37 0.04 -1.26 -4.61 135.00 131.99 3dkv s PRO 27 Ca 0.10 1.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.73 3dkv s PRO 27 Cb -0.10 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 3dkv s PRO 27 CO 0.05 -0.03 0.93 -1.58 0.04 0.00 0.00 177.00 176.41 3dkv s HIS 28 N -1.26 3.52 -0.28 0.56 2.46 -1.26 -0.91 115.29 118.12 3dkv s HIS 28 Ca 0.50 1.50 0.03 0.00 0.47 0.00 0.00 55.06 57.56 3dkv s HIS 28 Cb -0.32 -3.10 0.07 0.00 -0.13 0.00 0.00 32.58 29.09 3dkv s HIS 28 CO 0.42 -0.16 -0.07 0.42 -2.47 0.00 0.00 174.74 172.87 3dkv s ILE 29 N 1.76 2.18 -0.21 0.89 1.01 0.65 -4.94 121.20 122.55 3dkv s ILE 29 Ca 0.46 -1.79 0.01 0.00 0.00 0.00 0.00 60.65 59.33 3dkv s ILE 29 Cb -0.18 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 39.95 3dkv s ILE 29 CO 0.18 -0.16 -0.16 -0.55 0.00 0.00 0.00 174.94 174.26 3dkv s SER 30 N 1.06 3.59 0.24 3.58 0.15 -1.26 -0.33 113.70 120.73 3dkv s SER 30 Ca -0.05 -0.81 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 3dkv s SER 30 Cb -0.20 -1.53 0.26 0.00 -1.71 0.00 0.00 66.02 62.84 3dkv s SER 30 CO -0.06 -0.05 1.82 0.71 1.20 0.00 0.00 173.24 176.86 3dkv h THR 31 N 6.11 1.25 -0.31 6.45 1.35 -1.86 -1.43 112.91 124.46 3dkv h THR 31 Ca -0.39 -0.76 0.07 0.00 -0.55 0.00 0.00 66.41 64.78 3dkv h THR 31 Cb 1.12 0.34 -0.07 0.00 -1.73 0.00 0.00 68.15 67.80 3dkv h THR 31 CO 0.59 0.31 -0.20 1.23 -0.25 0.00 0.00 175.52 177.21 3dkv h GLY 32 N 1.12 0.00 0.89 5.82 0.00 -1.90 -0.33 103.07 108.68 3dkv h GLY 32 Ca 0.25 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 3dkv h GLY 32 CO -0.02 -0.19 0.05 -0.55 0.00 0.00 0.00 176.54 175.83 3dkv h ASP 33 N -0.16 0.14 -0.46 0.19 3.32 -1.85 -1.50 116.42 116.10 3dkv h ASP 33 Ca 0.16 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3dkv h ASP 33 Cb 0.41 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 3dkv h ASP 33 CO -0.41 0.24 0.10 0.24 -1.72 0.00 0.00 179.24 177.69 3dkv h MET 34 N 0.03 0.23 -0.15 3.56 2.86 -1.12 -0.63 114.93 119.72 3dkv h MET 34 Ca 0.04 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3dkv h MET 34 Cb 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3dkv h MET 34 CO -0.00 0.15 0.06 0.74 1.06 0.00 0.00 176.91 178.92 3dkv h PHE 35 N 0.24 0.23 -0.48 -0.22 0.05 -0.92 -2.00 116.94 113.83 3dkv h PHE 35 Ca 0.23 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.94 3dkv h PHE 35 Cb 0.29 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 3dkv h PHE 35 CO -0.21 0.30 0.04 0.00 -0.18 0.00 0.00 178.31 178.26 3dkv h ARG 36 N 0.09 0.78 -0.36 1.51 3.08 -1.07 0.21 114.38 118.61 3dkv h ARG 36 Ca 0.05 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3dkv h ARG 36 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3dkv h ARG 36 CO -0.00 0.76 0.22 0.00 -1.07 0.00 0.00 179.97 179.87 3dkv h ALA 37 N 1.30 0.45 -0.63 0.04 0.00 -1.07 -0.54 119.26 118.82 3dkv h ALA 37 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3dkv h ALA 37 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dkv h ALA 37 CO 0.01 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.43 3dkv h ALA 38 N 1.10 1.20 -0.13 0.00 0.00 -0.76 -1.95 119.26 118.72 3dkv h ALA 38 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dkv h ALA 38 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3dkv h ALA 38 CO -0.02 0.57 0.09 0.52 0.00 0.00 0.00 179.25 180.40 3dkv h MET 39 N 0.92 0.17 -0.71 0.00 2.07 -0.41 -0.85 114.93 116.12 3dkv h MET 39 Ca 0.21 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.86 3dkv h MET 39 Cb 0.23 -0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 29.88 3dkv h MET 39 CO -0.01 0.12 0.47 -0.22 1.07 0.00 0.00 176.91 178.33 3dkv h LYS 40 N 0.18 0.86 0.00 1.72 3.64 -0.77 0.12 116.57 122.32 3dkv h LYS 40 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dkv h LYS 40 Cb -0.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3dkv h LYS 40 CO -0.01 0.57 0.00 0.39 -2.27 0.00 0.00 179.45 178.13 3dkv n GLU 41 N -4.45 0.27 -3.72 1.90 1.02 -0.76 -4.95 120.64 109.94 3dkv n GLU 41 Ca 0.09 0.23 -0.26 0.00 -0.02 0.00 0.00 57.16 57.19 3dkv n GLU 41 Cb 0.10 -1.81 0.06 0.00 -0.02 0.00 0.00 31.44 29.77 3dkv n GLU 41 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dkv n GLU 42 N -2.28 -6.83 -1.49 3.49 1.02 0.41 -5.01 120.64 109.96 3dkv n GLU 42 Ca 0.05 0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 57.62 3dkv n GLU 42 Cb 0.43 -5.70 0.09 0.00 -0.02 0.00 0.00 31.44 26.24 3dkv n GLU 42 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3dkv s THR 43 N -3.33 3.18 0.23 2.62 -4.23 -1.06 -4.72 115.64 108.33 3dkv s THR 43 Ca 0.56 0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 61.40 3dkv s THR 43 Cb -0.26 -3.08 0.19 0.00 1.34 0.00 0.00 72.50 70.69 3dkv s THR 43 CO 0.77 -0.50 1.79 -0.65 -0.54 0.00 0.00 174.62 175.50 3dkv h PRO 44 N -1.09 0.67 -0.52 3.99 0.11 -1.95 0.65 132.00 133.86 3dkv h PRO 44 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3dkv h PRO 44 Cb 1.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3dkv h PRO 44 CO 0.58 0.45 0.29 1.25 -0.21 0.00 0.00 178.00 180.36 3dkv h LEU 45 N 0.70 0.64 -0.53 2.35 7.12 -1.93 -0.04 115.31 123.61 3dkv h LEU 45 Ca 0.37 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.27 3dkv h LEU 45 Cb 0.36 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 3dkv h LEU 45 CO -0.26 0.53 0.21 1.23 -0.13 0.00 0.00 178.44 180.03 3dkv h GLY 46 N 0.69 0.85 1.86 3.75 0.00 -1.26 0.46 103.07 109.42 3dkv h GLY 46 Ca 0.18 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 3dkv h GLY 46 CO -0.03 0.44 -0.41 1.41 0.00 0.00 0.00 176.54 177.95 3dkv h LEU 47 N 0.72 0.17 -0.24 3.11 3.38 0.40 -0.17 115.31 122.68 3dkv h LEU 47 Ca 0.18 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3dkv h LEU 47 Cb 0.20 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dkv h LEU 47 CO -0.01 0.56 -0.36 -0.08 0.09 0.00 0.00 178.44 178.64 3dkv h GLU 48 N 0.14 0.67 -0.49 1.13 4.81 -0.74 -3.33 114.58 116.78 3dkv h GLU 48 Ca 0.01 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 3dkv h GLU 48 Cb 0.79 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 3dkv h GLU 48 CO 0.06 1.01 -0.03 0.00 -0.73 0.00 0.00 179.01 179.33 3dkv h ALA 49 N 0.65 0.66 -0.98 2.92 0.00 -0.54 -3.25 119.26 118.72 3dkv h ALA 49 Ca 0.02 -0.30 0.20 0.00 0.00 0.00 0.00 54.91 54.84 3dkv h ALA 49 Cb 0.94 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 3dkv h ALA 49 CO 0.08 0.49 0.57 -0.22 0.00 0.00 0.00 179.25 180.17 3dkv h LYS 50 N 0.73 0.66 -0.78 0.00 3.64 -1.14 -1.02 116.57 118.67 3dkv h LYS 50 Ca 0.13 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3dkv h LYS 50 Cb 0.55 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 3dkv h LYS 50 CO 0.03 0.44 0.46 0.77 -2.27 0.00 0.00 179.45 178.88 3dkv h SER 51 N 0.68 0.71 0.01 4.20 0.02 -1.70 0.64 113.55 118.12 3dkv h SER 51 Ca 0.58 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.55 3dkv h SER 51 Cb 0.96 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3dkv h SER 51 CO -0.41 0.46 -0.01 1.88 -1.14 0.00 0.00 176.83 177.61 3dkv h TYR 52 N 0.85 -0.02 -0.63 3.45 -1.99 -1.42 -3.31 116.97 113.90 3dkv h TYR 52 Ca 0.34 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.13 3dkv h TYR 52 Cb 0.18 0.01 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 3dkv h TYR 52 CO -0.05 0.76 0.35 0.82 -0.00 0.00 0.00 178.16 180.04 3dkv h ILE 53 N -0.86 0.97 -0.49 -2.88 2.04 -1.01 -1.01 117.51 114.27 3dkv h ILE 53 Ca -0.00 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.70 3dkv h ILE 53 Cb 0.79 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3dkv h ILE 53 CO 0.00 0.12 0.33 0.44 0.00 0.00 0.00 178.15 179.04 3dkv h ASP 54 N 0.65 0.34 0.40 1.72 3.45 -1.03 -1.41 116.42 120.54 3dkv h ASP 54 Ca 0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.74 3dkv h ASP 54 Cb 0.16 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3dkv h ASP 54 CO -0.17 0.22 -0.19 0.29 -1.57 0.00 0.00 179.24 177.82 3dkv n LYS 55 N -4.47 0.59 -1.04 3.56 5.02 -0.59 -4.93 118.16 116.30 3dkv n LYS 55 Ca 0.07 -0.26 -0.01 0.00 -2.02 0.00 0.00 58.31 56.09 3dkv n LYS 55 Cb 0.27 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 3dkv n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dkv n GLY 56 N 1.34 0.52 3.91 0.72 0.00 -0.53 -4.69 105.19 106.46 3dkv n GLY 56 Ca 0.12 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3dkv n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkv s GLU 57 N -1.27 3.59 0.24 1.61 2.02 -0.49 -3.89 118.70 120.51 3dkv s GLU 57 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 3dkv s GLU 57 Cb 0.00 -2.62 -0.09 0.00 0.10 0.00 0.00 34.13 31.51 3dkv s GLU 57 CO 0.00 0.16 1.33 -0.51 0.02 0.00 0.00 175.26 176.25 3dkv s LEU 58 N -3.85 4.42 0.33 1.80 1.43 -1.26 -3.94 118.68 117.60 3dkv s LEU 58 Ca 0.43 2.50 -0.29 0.00 -1.03 0.00 0.00 54.13 55.75 3dkv s LEU 58 Cb -0.10 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 3dkv s LEU 58 CO 0.33 -0.55 1.34 -0.69 0.23 0.00 0.00 176.35 177.02 3dkv s VAL 59 N -0.19 2.62 0.39 -1.59 1.01 -1.26 -4.93 120.40 116.45 3dkv s VAL 59 Ca 0.55 0.61 -0.22 0.00 0.00 0.00 0.00 61.98 62.92 3dkv s VAL 59 Cb -0.38 -3.39 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 3dkv s VAL 59 CO 0.42 0.14 0.36 -2.65 0.00 0.00 0.00 175.10 173.37 3dkv n PRO 60 N 0.88 0.29 -0.28 2.72 -0.02 -1.26 -4.84 135.00 132.50 3dkv n PRO 60 Ca 0.01 0.11 -0.03 0.00 -2.02 0.00 0.00 63.50 61.56 3dkv n PRO 60 Cb 0.41 -1.26 0.08 0.00 -0.02 0.00 0.00 33.50 32.72 3dkv n PRO 60 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3dkv h ASP 61 N 0.63 0.83 0.30 2.55 3.32 -2.00 -2.97 116.42 119.09 3dkv h ASP 61 Ca -0.38 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 3dkv h ASP 61 Cb 1.42 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3dkv h ASP 61 CO 0.50 0.58 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.31 3dkv h GLU 62 N 0.98 -0.49 -0.67 3.56 4.81 -2.00 0.49 114.58 121.26 3dkv h GLU 62 Ca 0.30 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3dkv h GLU 62 Cb -0.03 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3dkv h GLU 62 CO -0.10 -0.33 0.19 -0.39 -0.73 0.00 0.00 179.01 177.66 3dkv h VAL 63 N -0.51 1.25 -0.05 0.32 -1.51 -1.95 -2.16 116.25 111.64 3dkv h VAL 63 Ca -0.03 -0.88 -0.00 0.00 -1.23 0.00 0.00 66.70 64.56 3dkv h VAL 63 Cb 0.43 0.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.12 3dkv h VAL 63 CO 0.01 0.34 0.02 0.74 -1.23 0.00 0.00 177.57 177.45 3dkv h THR 64 N 0.99 1.13 -0.81 7.19 2.02 -1.28 -2.15 112.91 120.00 3dkv h THR 64 Ca 0.22 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 67.04 3dkv h THR 64 Cb 0.31 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3dkv h THR 64 CO -0.01 0.10 0.53 0.40 0.37 0.00 0.00 175.52 176.92 3dkv h ILE 65 N -0.06 1.17 -0.33 3.11 2.04 -0.85 -2.51 117.51 120.08 3dkv h ILE 65 Ca 0.02 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3dkv h ILE 65 Cb 0.15 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 3dkv h ILE 65 CO -0.00 0.19 0.09 1.23 0.00 0.00 0.00 178.15 179.66 3dkv h GLY 66 N 1.06 0.40 1.98 5.37 0.00 -1.15 0.13 103.07 110.86 3dkv h GLY 66 Ca 0.31 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 3dkv h GLY 66 CO -0.08 0.00 -0.49 0.16 0.00 0.00 0.00 176.54 176.13 3dkv h ILE 67 N 0.22 1.36 -0.06 2.60 3.07 -1.10 -1.70 117.51 121.90 3dkv h ILE 67 Ca 0.15 -1.70 -0.19 0.00 1.55 0.00 0.00 64.86 64.68 3dkv h ILE 67 Cb 0.15 1.91 0.01 0.00 -0.27 0.00 0.00 36.82 38.62 3dkv h ILE 67 CO -0.18 0.49 -0.69 0.58 -1.05 0.00 0.00 178.15 177.30 3dkv h VAL 68 N 0.02 1.35 -0.35 0.16 2.07 -1.03 -1.63 116.25 116.84 3dkv h VAL 68 Ca -0.00 -2.01 0.06 0.00 0.82 0.00 0.00 66.70 65.56 3dkv h VAL 68 Cb 0.88 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 3dkv h VAL 68 CO 0.07 0.61 0.05 -0.09 0.02 0.00 0.00 177.57 178.22 3dkv h ARG 69 N 0.17 0.16 -0.27 1.57 2.43 -0.61 -0.44 114.38 117.39 3dkv h ARG 69 Ca -0.07 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3dkv h ARG 69 Cb 1.35 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 3dkv h ARG 69 CO 0.14 0.10 0.06 1.49 -1.51 0.00 0.00 179.97 180.25 3dkv h GLU 70 N 0.16 0.16 -0.91 0.20 4.81 -1.30 -1.90 114.58 115.80 3dkv h GLU 70 Ca 0.17 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3dkv h GLU 70 Cb 0.20 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3dkv h GLU 70 CO -0.24 0.10 0.53 -0.09 -0.73 0.00 0.00 179.01 178.58 3dkv h ARG 71 N 0.16 1.25 0.00 1.92 9.65 -0.87 -2.50 114.38 124.00 3dkv h ARG 71 Ca 0.12 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3dkv h ARG 71 Cb 0.12 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 3dkv h ARG 71 CO -0.16 0.89 0.00 -0.07 2.80 0.00 0.00 179.97 183.43 3dkv h LEU 72 N 1.27 0.00 0.00 3.80 3.38 -0.72 -2.62 115.31 120.42 3dkv h LEU 72 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3dkv h LEU 72 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3dkv h LEU 72 CO -0.06 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.93 3dkv n SER 73 N -2.88 0.00 -4.78 -0.43 3.41 -0.75 -4.75 113.62 103.45 3dkv n SER 73 Ca 0.02 0.10 -0.36 0.00 -0.26 0.00 0.00 58.87 58.36 3dkv n SER 73 Cb 0.33 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 3dkv n SER 73 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dkv s LYS 74 N -2.72 3.80 0.39 4.33 -0.14 -0.99 -4.96 119.74 119.46 3dkv s LYS 74 Ca 0.22 1.63 0.10 0.00 -1.36 0.00 0.00 55.97 56.56 3dkv s LYS 74 Cb 0.19 -2.33 0.89 0.00 -1.68 0.00 0.00 37.83 34.90 3dkv s LYS 74 CO 0.46 -0.48 1.95 0.77 -0.76 0.00 0.00 175.35 177.29 3dkv h SER 75 N 1.95 0.52 0.16 2.83 0.02 -1.89 -2.78 113.55 114.35 3dkv h SER 75 Ca -0.49 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 3dkv h SER 75 Cb 1.24 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 3dkv h SER 75 CO 0.60 0.32 -0.13 -2.24 -1.14 0.00 0.00 176.83 174.24 3dkv h ASP 76 N 0.58 0.00 0.36 3.07 -0.00 -1.94 -2.26 116.42 116.24 3dkv h ASP 76 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.35 3dkv h ASP 76 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 3dkv h ASP 76 CO -0.11 0.13 0.00 0.00 -0.00 0.00 0.00 179.24 179.26 3dkv h GLU 78 N 0.00 0.40 -0.00 0.00 5.08 -1.59 -1.85 114.58 116.62 3dkv h GLU 78 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dkv h GLU 78 Cb 0.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3dkv h GLU 78 CO 0.00 0.27 -0.29 2.89 -1.00 0.00 0.00 179.01 180.88 3dkv n ARG 79 N -4.47 0.01 0.00 2.33 1.85 -1.14 -5.04 116.66 110.20 3dkv n ARG 79 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 3dkv n ARG 79 Cb 0.32 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 3dkv n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dkv n GLY 80 N 1.50 0.91 3.56 2.89 0.00 -0.70 -4.50 105.19 108.85 3dkv n GLY 80 Ca 0.06 -2.05 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 3dkv n GLY 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dkv s PHE 81 N -1.14 -0.22 -0.28 1.61 -0.12 -0.60 -4.26 117.98 112.97 3dkv s PHE 81 Ca 0.00 0.14 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 3dkv s PHE 81 Cb 0.00 0.52 0.08 0.00 -0.63 0.00 0.00 43.02 42.99 3dkv s PHE 81 CO 0.00 -0.34 0.00 -1.17 -0.05 0.00 0.00 175.22 173.66 3dkv s LEU 82 N -2.28 3.14 -0.12 -1.99 1.98 -0.09 -1.64 118.68 117.67 3dkv s LEU 82 Ca 0.07 -1.55 -0.23 0.00 -2.89 0.00 0.00 54.13 49.53 3dkv s LEU 82 Cb -0.01 -1.25 -0.03 0.00 0.66 0.00 0.00 46.19 45.56 3dkv s LEU 82 CO -0.06 -0.31 0.71 -0.76 -1.89 0.00 0.00 176.35 174.04 3dkv s LEU 83 N 1.29 4.24 -0.23 -0.68 1.43 -0.12 -0.25 118.68 124.37 3dkv s LEU 83 Ca 0.02 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.23 3dkv s LEU 83 Cb -0.19 -3.06 0.05 0.00 0.03 0.00 0.00 46.19 43.02 3dkv s LEU 83 CO -0.11 -0.22 -0.11 -0.62 0.23 0.00 0.00 176.35 175.52 3dkv s ASP 84 N 0.97 3.92 0.00 2.29 2.15 0.55 -0.30 116.67 126.25 3dkv s ASP 84 Ca 0.35 -1.14 0.00 0.00 0.43 0.00 0.00 52.55 52.20 3dkv s ASP 84 Cb -0.17 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 3dkv s ASP 84 CO 0.15 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 3dkv n GLY 85 N 4.55 0.51 2.94 2.66 0.00 -1.13 -3.49 105.19 111.23 3dkv n GLY 85 Ca -0.15 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3dkv n GLY 85 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dkv s PHE 86 N -2.00 -0.09 0.64 1.61 2.19 -1.26 -4.32 117.98 114.75 3dkv s PHE 86 Ca 0.00 0.24 -0.14 0.00 0.33 0.00 0.00 56.93 57.36 3dkv s PHE 86 Cb 0.00 -0.00 -0.02 0.00 -1.31 0.00 0.00 43.02 41.69 3dkv s PHE 86 CO 0.00 -0.06 1.06 -1.25 1.83 0.00 0.00 175.22 176.80 3dkv s PRO 87 N 0.26 3.13 -0.02 10.12 0.04 -1.26 -4.70 135.00 142.57 3dkv s PRO 87 Ca -0.02 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.18 3dkv s PRO 87 Cb -0.03 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.55 3dkv s PRO 87 CO -0.01 -0.96 0.85 2.89 0.04 0.00 0.00 177.00 179.82 3dkv n ARG 88 N -2.47 1.16 -4.14 4.56 1.85 -1.26 -4.95 116.66 111.41 3dkv n ARG 88 Ca 0.08 -1.24 -0.10 0.00 -1.00 0.00 0.00 57.85 55.59 3dkv n ARG 88 Cb 0.53 -0.82 -0.10 0.00 -1.05 0.00 0.00 32.46 31.02 3dkv n ARG 88 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3dkv s THR 89 N -0.78 0.59 0.36 8.89 -4.23 -1.26 -4.87 115.64 114.34 3dkv s THR 89 Ca 0.05 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 3dkv s THR 89 Cb 0.04 -1.48 0.22 0.00 1.34 0.00 0.00 72.50 72.62 3dkv s THR 89 CO 0.00 -0.82 1.96 0.58 -0.54 0.00 0.00 174.62 175.81 3dkv h VAL 90 N 3.24 1.16 -0.76 2.29 2.07 -1.92 -1.82 116.25 120.51 3dkv h VAL 90 Ca -0.35 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 3dkv h VAL 90 Cb 1.17 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3dkv h VAL 90 CO 0.61 0.19 0.32 0.00 0.02 0.00 0.00 177.57 178.71 3dkv h ALA 91 N 1.59 1.12 -0.67 1.67 0.00 -1.99 -0.02 119.26 120.95 3dkv h ALA 91 Ca 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3dkv h ALA 91 Cb 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3dkv h ALA 91 CO -0.02 0.64 0.16 1.96 0.00 0.00 0.00 179.25 181.99 3dkv h GLN 92 N 1.10 1.08 -0.73 0.00 4.20 -1.84 -2.15 115.11 116.77 3dkv h GLN 92 Ca 0.26 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3dkv h GLN 92 Cb 0.19 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3dkv h GLN 92 CO -0.02 0.96 0.21 0.00 -0.67 0.00 0.00 178.83 179.31 3dkv h ALA 93 N 1.07 0.96 -0.44 3.87 0.00 -0.83 -0.01 119.26 123.88 3dkv h ALA 93 Ca 0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3dkv h ALA 93 Cb 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dkv h ALA 93 CO 0.00 0.66 -0.03 0.93 0.00 0.00 0.00 179.25 180.81 3dkv h GLU 94 N 1.09 0.80 -0.40 0.00 5.08 -0.94 -1.29 114.58 118.91 3dkv h GLU 94 Ca 0.23 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3dkv h GLU 94 Cb 0.34 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3dkv h GLU 94 CO -0.00 0.88 0.07 0.00 -1.00 0.00 0.00 179.01 178.96 3dkv h ALA 95 N 0.89 0.54 -0.64 3.43 0.00 -1.25 -2.50 119.26 119.73 3dkv h ALA 95 Ca 0.12 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dkv h ALA 95 Cb 0.54 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3dkv h ALA 95 CO 0.03 0.24 0.33 1.25 0.00 0.00 0.00 179.25 181.11 3dkv h LEU 96 N 0.52 0.47 -0.62 0.00 5.85 -0.89 -0.24 115.31 120.41 3dkv h LEU 96 Ca 0.12 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3dkv h LEU 96 Cb 0.36 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3dkv h LEU 96 CO 0.01 0.30 0.33 -0.33 -0.34 0.00 0.00 178.44 178.41 3dkv h GLU 97 N 0.61 0.60 -0.18 1.25 4.39 -0.98 0.24 114.58 120.51 3dkv h GLU 97 Ca 0.29 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 3dkv h GLU 97 Cb 0.22 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3dkv h GLU 97 CO -0.20 0.40 -0.04 0.93 -1.16 0.00 0.00 179.01 178.94 3dkv h GLU 98 N 0.62 0.34 -0.29 2.33 5.08 -0.97 -0.06 114.58 121.63 3dkv h GLU 98 Ca 0.28 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3dkv h GLU 98 Cb 0.18 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3dkv h GLU 98 CO -0.18 0.60 -0.11 0.82 -1.00 0.00 0.00 179.01 179.14 3dkv h ILE 99 N 0.06 0.62 -0.09 3.13 2.04 -0.80 -1.73 117.51 120.74 3dkv h ILE 99 Ca 0.05 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 3dkv h ILE 99 Cb 0.47 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3dkv h ILE 99 CO 0.02 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.64 3dkv h LEU 100 N -0.06 0.22 -0.18 1.44 3.38 -0.88 0.14 115.31 119.37 3dkv h LEU 100 Ca 0.15 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3dkv h LEU 100 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3dkv h LEU 100 CO -0.33 0.65 0.09 -0.08 0.09 0.00 0.00 178.44 178.85 3dkv h GLU 101 N 0.17 0.18 -0.77 1.13 4.81 -0.81 0.68 114.58 119.97 3dkv h GLU 101 Ca 0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3dkv h GLU 101 Cb 0.87 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.16 3dkv h GLU 101 CO 0.07 0.12 0.48 0.93 -0.73 0.00 0.00 179.01 179.88 3dkv h GLU 102 N 0.19 0.90 0.00 1.92 5.08 -0.86 -2.74 114.58 119.07 3dkv h GLU 102 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3dkv h GLU 102 Cb 0.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3dkv h GLU 102 CO -0.05 0.60 0.00 -1.33 -1.00 0.00 0.00 179.01 177.22 3dkv n MET 103 N -4.63 0.25 -3.02 2.33 2.81 -0.00 -4.93 117.12 109.91 3dkv n MET 103 Ca 0.09 0.28 -0.14 0.00 -1.81 0.00 0.00 57.70 56.12 3dkv n MET 103 Cb 0.10 -1.83 0.04 0.00 -0.71 0.00 0.00 33.22 30.82 3dkv n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dkv n GLY 104 N 0.94 0.06 2.32 3.03 0.00 0.09 -4.99 105.19 106.64 3dkv n GLY 104 Ca 0.05 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3dkv n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dkv n ARG 105 N -2.99 1.30 -1.82 1.61 1.74 -0.35 -5.04 116.66 111.12 3dkv n ARG 105 Ca -0.01 -3.57 -0.35 0.00 -0.77 0.00 0.00 57.85 53.14 3dkv n ARG 105 Cb 0.54 -1.75 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 3dkv n ARG 105 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dkv s PRO 106 N -2.62 2.73 0.29 5.56 0.04 -1.26 -4.83 135.00 134.91 3dkv s PRO 106 Ca 0.40 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3dkv s PRO 106 Cb 0.35 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.87 3dkv s PRO 106 CO -0.08 -1.37 1.54 0.42 0.04 0.00 0.00 177.00 177.55 3dkv s ILE 107 N -1.85 2.23 -0.12 0.56 1.01 -1.26 -4.71 121.20 117.06 3dkv s ILE 107 Ca 0.74 0.19 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 3dkv s ILE 107 Cb -0.28 -3.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 3dkv s ILE 107 CO 0.38 0.03 0.17 0.44 0.00 0.00 0.00 174.94 175.96 3dkv h ASP 108 N 4.76 0.00 -4.36 3.58 3.32 -0.93 -3.49 116.42 119.30 3dkv h ASP 108 Ca -0.47 -0.26 -0.28 0.00 0.02 0.00 0.00 57.03 56.04 3dkv h ASP 108 Cb 1.22 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.53 3dkv h ASP 108 CO 0.78 0.69 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.94 3dkv s TYR 109 N -1.82 0.52 -0.31 4.55 1.51 -1.22 -4.77 117.35 115.80 3dkv s TYR 109 Ca -0.07 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.58 3dkv s TYR 109 Cb -0.00 -0.32 -0.01 0.00 -0.11 0.00 0.00 41.96 41.51 3dkv s TYR 109 CO 0.21 -0.05 0.16 0.08 -1.11 0.00 0.00 175.55 174.84 3dkv s VAL 110 N -0.78 4.72 -0.33 0.71 1.01 0.20 -1.77 120.40 124.16 3dkv s VAL 110 Ca -0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 3dkv s VAL 110 Cb -0.06 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3dkv s VAL 110 CO 0.00 0.10 0.34 -0.63 0.00 0.00 0.00 175.10 174.91 3dkv s ILE 111 N 1.64 5.19 -0.39 2.22 1.01 0.01 -0.58 121.20 130.30 3dkv s ILE 111 Ca 0.05 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.63 3dkv s ILE 111 Cb -0.17 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.53 3dkv s ILE 111 CO 0.07 -0.04 0.34 0.21 0.00 0.00 0.00 174.94 175.52 3dkv s ASN 112 N 1.72 6.14 -0.51 3.58 2.47 0.23 -1.16 114.94 127.40 3dkv s ASN 112 Ca 0.11 -0.64 -0.23 0.00 0.42 0.00 0.00 52.86 52.52 3dkv s ASN 112 Cb -0.17 -2.18 0.04 0.00 -1.45 0.00 0.00 41.25 37.49 3dkv s ASN 112 CO 0.11 -0.43 0.82 -0.63 -3.72 0.00 0.00 177.10 173.26 3dkv s ILE 113 N 1.87 4.58 -0.19 -5.21 1.01 -0.57 -0.46 121.20 122.23 3dkv s ILE 113 Ca 0.08 0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 3dkv s ILE 113 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 3dkv s ILE 113 CO 0.11 -0.92 0.37 -1.10 0.00 0.00 0.00 174.94 173.40 3dkv s GLN 114 N 3.45 4.19 -0.01 2.79 -0.21 0.36 -4.45 119.66 125.79 3dkv s GLN 114 Ca 0.27 0.16 0.01 0.00 0.02 0.00 0.00 55.36 55.82 3dkv s GLN 114 Cb -0.14 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.37 3dkv s GLN 114 CO 0.19 0.03 -0.02 0.08 -2.12 0.00 0.00 175.29 173.44 3dkv s VAL 115 N 1.11 0.20 0.20 1.09 1.01 -1.26 -0.80 120.40 121.96 3dkv s VAL 115 Ca 0.18 -0.06 -0.32 0.00 0.00 0.00 0.00 61.98 61.78 3dkv s VAL 115 Cb -0.14 -0.21 -0.14 0.00 0.00 0.00 0.00 36.38 35.89 3dkv s VAL 115 CO 0.07 0.09 1.46 0.47 0.00 0.00 0.00 175.10 177.19 3dkv n ASP 116 N 3.34 2.80 -0.08 3.32 8.00 -1.26 -4.86 116.55 127.82 3dkv n ASP 116 Ca -0.17 1.12 0.11 0.00 0.71 0.00 0.00 54.79 56.56 3dkv n ASP 116 Cb 0.56 -1.41 0.49 0.00 -0.02 0.00 0.00 41.12 40.74 3dkv n ASP 116 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3dkv h LYS 117 N 4.85 0.42 0.00 -1.24 2.10 -2.01 -0.98 116.57 119.70 3dkv h LYS 117 Ca -0.45 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3dkv h LYS 117 Cb 1.27 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3dkv h LYS 117 CO 0.81 0.28 0.00 0.39 -2.00 0.00 0.00 179.45 178.92 3dkv n GLU 118 N -4.47 0.15 0.10 0.07 4.71 -1.26 -1.71 120.64 118.23 3dkv n GLU 118 Ca 0.09 0.57 0.12 0.00 -0.01 0.00 0.00 57.16 57.93 3dkv n GLU 118 Cb 0.34 -1.92 0.03 0.00 -1.01 0.00 0.00 31.44 28.88 3dkv n GLU 118 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3dkv h GLU 119 N 0.00 0.00 -0.09 3.49 4.39 -1.53 -3.42 114.58 117.42 3dkv h GLU 119 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 3dkv h GLU 119 Cb 0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3dkv h GLU 119 CO 0.00 0.00 -0.73 -0.07 -1.16 0.00 0.00 179.01 177.05 3dkv h LEU 120 N 0.00 0.55 -0.09 1.33 3.38 -1.44 -2.61 115.31 116.43 3dkv h LEU 120 Ca 0.00 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3dkv h LEU 120 Cb 0.96 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3dkv h LEU 120 CO 0.00 1.10 -0.20 -0.03 0.09 0.00 0.00 178.44 179.40 3dkv h MET 121 N 0.32 -0.26 -0.61 1.13 4.05 -1.81 -2.07 114.93 115.68 3dkv h MET 121 Ca -0.03 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 3dkv h MET 121 Cb 1.31 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.14 3dkv h MET 121 CO 0.13 -0.18 0.15 1.49 0.23 0.00 0.00 176.91 178.74 3dkv h GLU 122 N -0.27 0.95 -0.64 0.39 4.81 -1.85 -0.31 114.58 117.65 3dkv h GLU 122 Ca 0.09 -0.20 0.13 0.00 -0.13 0.00 0.00 59.36 59.24 3dkv h GLU 122 Cb 0.40 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 3dkv h GLU 122 CO -0.25 0.84 0.15 0.00 -0.73 0.00 0.00 179.01 179.01 3dkv h ARG 123 N 0.91 0.26 0.19 1.92 2.47 -1.10 -2.07 114.38 116.97 3dkv h ARG 123 Ca 0.20 -0.02 -0.29 0.00 -1.26 0.00 0.00 59.98 58.61 3dkv h ARG 123 Cb 0.31 -0.06 0.02 0.00 -1.65 0.00 0.00 29.97 28.60 3dkv h ARG 123 CO -0.00 0.17 -1.36 -0.07 0.56 0.00 0.00 179.97 179.27 3dkv h LEU 124 N 0.27 0.63 -1.04 3.04 3.38 -0.94 -3.15 115.31 117.50 3dkv h LEU 124 Ca 0.34 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 3dkv h LEU 124 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3dkv h LEU 124 CO -0.43 1.63 -0.19 0.71 0.09 0.00 0.00 178.44 180.25 3dkv h THR 125 N -0.07 0.45 -0.14 0.22 1.35 -1.03 -2.70 112.91 111.00 3dkv h THR 125 Ca -0.25 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3dkv h THR 125 Cb 1.96 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 3dkv h THR 125 CO 0.19 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 3dkv n GLY 126 N 0.25 0.93 3.75 5.82 0.00 -0.78 -4.96 105.19 110.20 3dkv n GLY 126 Ca 0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3dkv n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dkv s ARG 127 N -1.85 4.63 0.00 1.61 3.52 -1.02 -1.39 118.95 124.46 3dkv s ARG 127 Ca 0.33 1.76 0.04 0.00 -0.13 0.00 0.00 55.73 57.73 3dkv s ARG 127 Cb 0.21 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 3dkv s ARG 127 CO 0.31 0.17 -0.12 1.03 -0.81 0.00 0.00 175.30 175.87 3dkv s ARG 128 N -0.99 0.96 -0.02 5.12 1.81 -0.39 -4.70 118.95 120.74 3dkv s ARG 128 Ca 0.46 -0.51 0.05 0.00 -1.72 0.00 0.00 55.73 54.01 3dkv s ARG 128 Cb -0.31 -0.93 -0.01 0.00 -0.45 0.00 0.00 34.95 33.25 3dkv s ARG 128 CO 0.38 0.25 -0.17 0.42 -0.68 0.00 0.00 175.30 175.50 3dkv s ILE 129 N -0.43 1.39 0.02 1.52 1.01 0.13 0.49 121.20 125.33 3dkv s ILE 129 Ca 0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 3dkv s ILE 129 Cb -0.05 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 3dkv s ILE 129 CO -0.00 0.40 1.29 0.00 0.00 0.00 0.00 174.94 176.62 3dkv h SER 131 N 7.29 0.00 0.02 0.00 4.64 -1.72 -0.25 113.55 123.52 3dkv h SER 131 Ca -0.39 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.63 3dkv h SER 131 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3dkv h SER 131 CO 0.86 0.00 -1.65 0.52 -0.87 0.00 0.00 176.83 175.70 3dkv n VAL 132 N -2.73 1.57 0.15 0.95 0.31 -1.26 -4.74 118.33 112.58 3dkv n VAL 132 Ca 0.02 -0.20 0.03 0.00 -0.01 0.00 0.00 64.34 64.18 3dkv n VAL 132 Cb 0.33 -1.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.28 3dkv n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dkv n GLY 134 N 1.63 0.78 3.76 0.00 0.00 -0.11 -5.00 105.19 106.25 3dkv n GLY 134 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3dkv n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dkv s THR 135 N -3.04 2.96 0.03 2.61 -1.32 -1.26 -4.58 115.64 111.03 3dkv s THR 135 Ca 0.00 0.46 0.06 0.00 -1.21 0.00 0.00 61.69 61.00 3dkv s THR 135 Cb 0.00 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 67.96 3dkv s THR 135 CO 0.00 -0.26 -0.14 0.42 -2.21 0.00 0.00 174.62 172.43 3dkv s THR 136 N -2.19 3.11 0.38 5.08 -4.23 -1.26 -0.37 115.64 116.16 3dkv s THR 136 Ca 0.70 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 3dkv s THR 136 Cb -0.23 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 3dkv s THR 136 CO 0.41 0.35 0.07 -0.31 -0.54 0.00 0.00 174.62 174.61 3dkv s TYR 137 N -0.96 1.93 -0.03 3.99 1.51 0.18 -4.99 117.35 118.98 3dkv s TYR 137 Ca 0.16 -1.05 -0.00 0.00 -1.01 0.00 0.00 57.07 55.17 3dkv s TYR 137 Cb -0.11 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.47 3dkv s TYR 137 CO 0.06 -0.04 0.05 -1.58 -1.11 0.00 0.00 175.55 172.93 3dkv s HIS 138 N -3.19 0.01 0.52 2.71 2.46 -0.05 -1.26 115.29 116.50 3dkv s HIS 138 Ca 0.29 0.18 0.18 0.00 0.47 0.00 0.00 55.06 56.19 3dkv s HIS 138 Cb 0.06 -0.24 1.31 0.00 -0.13 0.00 0.00 32.58 33.59 3dkv s HIS 138 CO 0.14 -0.11 2.12 -0.07 -2.47 0.00 0.00 174.74 174.35 3dkv h LEU 139 N 7.37 0.00 0.00 8.88 3.38 -1.50 -0.18 115.31 133.26 3dkv h LEU 139 Ca -0.43 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.22 3dkv h LEU 139 Cb 1.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 3dkv h LEU 139 CO 0.45 0.00 -1.94 0.52 0.09 0.00 0.00 178.44 177.57 3dkv n VAL 140 N -4.48 1.52 0.12 1.22 0.31 -1.26 -4.58 118.33 111.17 3dkv n VAL 140 Ca -0.00 -0.20 0.11 0.00 -0.01 0.00 0.00 64.34 64.24 3dkv n VAL 140 Cb 0.21 -2.02 0.03 0.00 -0.91 0.00 0.00 33.84 31.15 3dkv n VAL 140 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3dkv h PHE 141 N -1.00 0.00 -0.03 3.52 0.04 -1.93 -3.41 116.94 114.13 3dkv h PHE 141 Ca -0.48 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.04 3dkv h PHE 141 Cb 1.39 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.39 3dkv h PHE 141 CO -0.12 0.02 -0.45 -1.71 -0.60 0.00 0.00 178.31 175.45 3dkv n ASN 142 N -2.76 -2.34 -4.77 2.17 5.15 -0.44 -4.92 115.26 107.35 3dkv n ASN 142 Ca 0.00 -3.68 -0.34 0.00 -0.60 0.00 0.00 54.58 49.97 3dkv n ASN 142 Cb 0.56 1.90 0.03 0.00 -0.53 0.00 0.00 39.78 41.73 3dkv n ASN 142 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3dkv s PRO 143 N 0.26 3.00 1.04 1.20 0.04 -0.21 -0.87 135.00 139.46 3dkv s PRO 143 Ca 0.23 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 3dkv s PRO 143 Cb 0.29 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 33.06 3dkv s PRO 143 CO -0.06 -1.10 1.07 -1.25 0.04 0.00 0.00 177.00 175.70 3dkv s PRO 144 N -3.85 0.12 0.19 0.56 0.04 -1.26 -4.89 135.00 125.92 3dkv s PRO 144 Ca 0.68 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 3dkv s PRO 144 Cb -0.21 -1.68 0.11 0.00 0.04 0.00 0.00 34.50 32.76 3dkv s PRO 144 CO 0.37 -3.00 1.51 0.87 0.04 0.00 0.00 177.00 176.78 3dkv h LYS 145 N -2.10 0.58 -5.15 4.56 1.57 -1.96 -3.42 116.57 110.66 3dkv h LYS 145 Ca -0.55 -0.36 -0.66 0.00 -1.87 0.00 0.00 60.65 57.21 3dkv h LYS 145 Cb 1.32 0.04 -0.34 0.00 0.08 0.00 0.00 32.23 33.33 3dkv h LYS 145 CO 0.53 0.96 -0.87 0.99 -0.57 0.00 0.00 179.45 180.50 3dkv s THR 146 N -4.05 1.96 0.30 -0.16 2.01 -1.26 -5.10 115.64 109.34 3dkv s THR 146 Ca -0.08 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 3dkv s THR 146 Cb 0.11 -1.73 -0.12 0.00 0.01 0.00 0.00 72.50 70.77 3dkv s THR 146 CO 0.84 0.53 1.45 -2.65 -0.69 0.00 0.00 174.62 174.11 3dkv n PRO 147 N 3.96 2.35 -0.25 4.92 -0.02 -1.26 -2.17 135.00 142.52 3dkv n PRO 147 Ca -0.20 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3dkv n PRO 147 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3dkv n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkv n GLY 148 N 1.63 2.36 3.16 -1.23 0.00 -1.26 -5.01 105.19 104.84 3dkv n GLY 148 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3dkv n GLY 148 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dkv s ILE 149 N -3.20 1.00 0.08 -0.61 -5.25 -0.92 -0.88 121.20 111.42 3dkv s ILE 149 Ca 0.00 -1.37 -0.30 0.00 -0.99 0.00 0.00 60.65 57.99 3dkv s ILE 149 Cb 0.00 -1.09 -0.05 0.00 2.95 0.00 0.00 42.46 44.26 3dkv s ILE 149 CO 0.00 -0.33 1.07 0.00 -1.79 0.00 0.00 174.94 173.88 3dkv h ASP 151 N 6.14 0.54 0.38 0.00 3.32 -1.92 -1.17 116.42 123.72 3dkv h ASP 151 Ca -0.42 0.04 -0.32 0.00 0.02 0.00 0.00 57.03 56.34 3dkv h ASP 151 Cb 1.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3dkv h ASP 151 CO 0.75 0.27 -1.57 0.11 -1.72 0.00 0.00 179.24 177.08 3dkv h LYS 152 N 0.57 0.31 0.00 3.56 1.57 -1.98 -3.42 116.57 117.18 3dkv h LYS 152 Ca 0.43 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dkv h LYS 152 Cb 0.81 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3dkv h LYS 152 CO -0.18 1.19 0.00 -0.40 -0.57 0.00 0.00 179.45 179.49 3dkv n ASP 153 N -3.51 0.11 0.00 0.86 5.68 -1.22 -5.02 116.55 113.46 3dkv n ASP 153 Ca -0.18 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 3dkv n ASP 153 Cb 1.06 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 3dkv n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dkv n GLY 154 N 0.03 1.43 3.63 6.12 0.00 -0.44 -4.98 105.19 110.98 3dkv n GLY 154 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3dkv n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkv n GLY 155 N -2.00 -0.32 3.72 -0.02 0.00 -1.26 -4.31 105.19 101.00 3dkv n GLY 155 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3dkv n GLY 155 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dkv s GLU 156 N -3.20 4.48 0.47 1.61 2.12 -1.26 -0.81 118.70 122.10 3dkv s GLU 156 Ca 0.75 1.73 -0.20 0.00 0.36 0.00 0.00 54.97 57.61 3dkv s GLU 156 Cb -0.36 -3.34 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 3dkv s GLU 156 CO 0.48 -0.17 1.00 -0.51 -0.54 0.00 0.00 175.26 175.52 3dkv s LEU 157 N 0.74 3.87 0.21 2.70 1.43 -0.06 -2.04 118.68 125.54 3dkv s LEU 157 Ca 0.56 1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 55.45 3dkv s LEU 157 Cb -0.29 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.35 3dkv s LEU 157 CO 0.30 -0.61 0.19 -0.72 0.23 0.00 0.00 176.35 175.75 3dkv s TYR 158 N -2.09 1.05 -0.19 0.29 -0.85 0.70 -4.89 117.35 111.37 3dkv s TYR 158 Ca 0.65 -1.28 -0.08 0.00 -0.52 0.00 0.00 57.07 55.84 3dkv s TYR 158 Cb -0.13 -0.44 -0.04 0.00 0.38 0.00 0.00 41.96 41.72 3dkv s TYR 158 CO 0.18 -0.70 0.07 -0.65 -1.52 0.00 0.00 175.55 172.92 3dkv s GLN 159 N -4.12 3.99 0.40 -3.49 -0.21 -1.26 -0.69 119.66 114.29 3dkv s GLN 159 Ca 0.36 -0.33 -0.27 0.00 0.02 0.00 0.00 55.36 55.15 3dkv s GLN 159 Cb 0.06 -3.24 -0.09 0.00 1.00 0.00 0.00 33.01 30.74 3dkv s GLN 159 CO 0.12 0.27 1.39 0.50 -2.12 0.00 0.00 175.29 175.45 3dkv s ARG 160 N 0.39 3.95 0.36 2.91 3.52 -1.26 -4.90 118.95 123.92 3dkv s ARG 160 Ca 0.04 2.35 0.05 0.00 -0.13 0.00 0.00 55.73 58.03 3dkv s ARG 160 Cb -0.12 -2.81 0.68 0.00 -1.56 0.00 0.00 34.95 31.14 3dkv s ARG 160 CO -0.00 -0.57 1.95 0.00 -0.81 0.00 0.00 175.30 175.87 3dkv h ALA 161 N 2.72 1.50 -0.06 6.12 0.00 -2.02 -1.66 119.26 125.86 3dkv h ALA 161 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3dkv h ALA 161 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dkv h ALA 161 CO 0.63 0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.86 3dkv n ASP 162 N -4.36 0.66 -0.54 0.00 5.75 -1.26 -4.02 116.55 112.77 3dkv n ASP 162 Ca 0.03 -1.50 0.05 0.00 -0.01 0.00 0.00 54.79 53.36 3dkv n ASP 162 Cb 0.16 -0.04 0.14 0.00 -1.03 0.00 0.00 41.12 40.35 3dkv n ASP 162 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3dkv n ASP 163 N -0.36 1.57 -4.78 -1.12 8.00 -0.62 -3.91 116.55 115.32 3dkv n ASP 163 Ca 0.16 -1.98 -0.36 0.00 0.71 0.00 0.00 54.79 53.32 3dkv n ASP 163 Cb 0.17 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 3dkv n ASP 163 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dkv s ASN 164 N -1.03 6.32 0.25 -2.24 2.20 -1.26 -4.34 114.94 114.84 3dkv s ASN 164 Ca 0.20 2.11 -0.07 0.00 -0.94 0.00 0.00 52.86 54.16 3dkv s ASN 164 Cb 0.11 -2.58 0.43 0.00 -2.00 0.00 0.00 41.25 37.20 3dkv s ASN 164 CO 0.14 -0.80 1.63 -0.08 -2.94 0.00 0.00 177.10 175.05 3dkv h GLU 165 N 1.93 0.08 -0.73 3.55 4.81 -1.97 -0.76 114.58 121.49 3dkv h GLU 165 Ca -0.49 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3dkv h GLU 165 Cb 1.23 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3dkv h GLU 165 CO 0.60 0.05 0.42 0.93 -0.73 0.00 0.00 179.01 180.28 3dkv h GLU 166 N 0.08 1.00 -0.22 1.92 4.39 -1.95 -1.77 114.58 118.03 3dkv h GLU 166 Ca 0.41 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.83 3dkv h GLU 166 Cb 0.72 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3dkv h GLU 166 CO -0.70 0.73 -0.59 1.15 -1.16 0.00 0.00 179.01 178.45 3dkv h THR 167 N 1.00 1.30 -0.25 1.13 2.02 -1.61 -2.94 112.91 113.56 3dkv h THR 167 Ca 0.26 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3dkv h THR 167 Cb 0.01 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3dkv h THR 167 CO -0.04 0.58 0.16 0.58 0.37 0.00 0.00 175.52 177.16 3dkv h VAL 168 N 0.54 1.05 -0.64 3.16 2.07 -1.00 0.14 116.25 121.57 3dkv h VAL 168 Ca 0.00 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.53 3dkv h VAL 168 Cb 1.17 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 3dkv h VAL 168 CO 0.12 0.06 0.15 0.74 0.02 0.00 0.00 177.57 178.66 3dkv h THR 169 N 0.33 0.61 -0.22 2.57 2.02 -1.30 0.84 112.91 117.77 3dkv h THR 169 Ca 0.09 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 3dkv h THR 169 Cb -0.03 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3dkv h THR 169 CO -0.03 0.05 -0.04 0.50 0.37 0.00 0.00 175.52 176.38 3dkv h LYS 170 N 0.28 0.41 -0.98 6.66 1.63 -1.24 -2.31 116.57 121.02 3dkv h LYS 170 Ca 0.34 -0.15 0.08 0.00 -0.85 0.00 0.00 60.65 60.08 3dkv h LYS 170 Cb 0.53 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.06 3dkv h LYS 170 CO -0.43 0.63 0.63 0.00 -3.45 0.00 0.00 179.45 176.84 3dkv h ARG 171 N 0.14 1.05 -0.24 1.90 3.08 -0.03 -0.68 114.38 119.60 3dkv h ARG 171 Ca 0.06 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3dkv h ARG 171 Cb 0.48 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3dkv h ARG 171 CO 0.02 0.70 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.49 3dkv h LEU 172 N 1.08 0.46 -0.29 3.04 3.38 -0.73 -2.24 115.31 120.01 3dkv h LEU 172 Ca 0.44 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3dkv h LEU 172 Cb 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3dkv h LEU 172 CO -0.19 0.72 0.15 -0.08 0.09 0.00 0.00 178.44 179.13 3dkv h GLU 173 N 0.20 0.30 -0.25 1.13 4.81 -0.93 -0.74 114.58 119.10 3dkv h GLU 173 Ca 0.06 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3dkv h GLU 173 Cb 0.52 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3dkv h GLU 173 CO 0.02 0.20 0.14 0.28 -0.73 0.00 0.00 179.01 178.92 3dkv h VAL 174 N 0.31 1.02 0.06 0.32 2.07 -1.09 -3.10 116.25 115.85 3dkv h VAL 174 Ca 0.12 -0.10 -0.24 0.00 0.82 0.00 0.00 66.70 67.30 3dkv h VAL 174 Cb 0.04 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3dkv h VAL 174 CO -0.08 0.05 -1.13 0.78 0.02 0.00 0.00 177.57 177.21 3dkv h ASN 175 N 0.30 0.20 -0.48 0.57 2.35 -1.36 -3.20 115.58 113.96 3dkv h ASN 175 Ca 0.10 -0.22 0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3dkv h ASN 175 Cb -0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3dkv h ASN 175 CO -0.05 1.17 0.32 0.24 -1.65 0.00 0.00 177.43 177.46 3dkv h MET 176 N 0.03 0.39 -0.10 0.81 2.86 -1.13 -0.53 114.93 117.26 3dkv h MET 176 Ca -0.07 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3dkv h MET 176 Cb 1.87 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.44 3dkv h MET 176 CO 0.16 0.26 0.11 0.87 1.06 0.00 0.00 176.91 179.37 3dkv h LYS 177 N 0.40 0.00 0.00 1.72 1.57 -1.53 -2.86 116.57 115.87 3dkv h LYS 177 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3dkv h LYS 177 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3dkv h LYS 177 CO -0.05 0.00 -1.00 1.04 -0.57 0.00 0.00 179.45 178.87 3dkv n GLN 178 N -3.92 0.32 0.34 3.15 1.13 -0.22 -4.56 117.38 113.62 3dkv n GLN 178 Ca -0.00 0.01 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 3dkv n GLN 178 Cb 0.21 -1.62 -0.09 0.00 0.11 0.00 0.00 30.24 28.86 3dkv n GLN 178 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3dkv h THR 179 N 0.00 0.36 -0.01 5.09 2.02 -1.37 -2.29 112.91 116.71 3dkv h THR 179 Ca 0.00 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.10 3dkv h THR 179 Cb 0.75 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3dkv h THR 179 CO 0.00 0.01 -0.03 0.00 0.37 0.00 0.00 175.52 175.87 3dkv h ALA 180 N -0.56 -0.02 -0.92 6.16 0.00 -1.80 -1.37 119.26 120.74 3dkv h ALA 180 Ca -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dkv h ALA 180 Cb 0.67 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3dkv h ALA 180 CO 0.14 -0.52 0.54 -1.00 0.00 0.00 0.00 179.25 178.41 3dkv h PRO 181 N -0.05 1.27 -0.45 0.00 0.13 -1.82 0.05 132.00 131.13 3dkv h PRO 181 Ca 0.02 -0.13 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 3dkv h PRO 181 Cb 0.07 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 30.93 3dkv h PRO 181 CO -0.04 0.90 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.50 3dkv h LEU 182 N 1.28 0.84 -0.33 1.56 3.38 -1.28 0.82 115.31 121.58 3dkv h LEU 182 Ca 0.33 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dkv h LEU 182 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3dkv h LEU 182 CO -0.06 0.98 0.20 -0.07 0.09 0.00 0.00 178.44 179.58 3dkv h LEU 183 N 0.68 0.39 -1.05 1.67 3.38 -1.09 -1.16 115.31 118.12 3dkv h LEU 183 Ca 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dkv h LEU 183 Cb 0.59 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3dkv h LEU 183 CO 0.04 0.31 0.53 0.00 0.09 0.00 0.00 178.44 179.41 3dkv h ALA 184 N 1.09 1.29 0.13 1.53 0.00 -0.83 0.22 119.26 122.70 3dkv h ALA 184 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dkv h ALA 184 Cb -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3dkv h ALA 184 CO -0.02 0.61 -0.06 0.35 0.00 0.00 0.00 179.25 180.13 3dkv h PHE 185 N 1.20 -0.16 0.00 0.00 3.04 -0.34 -2.76 116.94 117.92 3dkv h PHE 185 Ca 0.32 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.11 3dkv h PHE 185 Cb -0.06 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 3dkv h PHE 185 CO 0.00 -0.09 -0.90 1.88 -2.02 0.00 0.00 178.31 177.19 3dkv h TYR 186 N -0.19 0.00 -0.47 0.41 0.05 -1.00 -3.03 116.97 112.74 3dkv h TYR 186 Ca -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3dkv h TYR 186 Cb 0.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3dkv h TYR 186 CO -0.07 0.66 0.10 0.22 -1.05 0.00 0.00 178.16 178.02 3dkv h ASP 187 N 0.00 0.66 -0.78 3.88 -0.00 -0.61 -2.16 116.42 117.42 3dkv h ASP 187 Ca -0.06 -0.11 0.02 0.00 -0.00 0.00 0.00 57.03 56.88 3dkv h ASP 187 Cb 1.55 -0.17 -0.04 0.00 -0.00 0.00 0.00 39.33 40.67 3dkv h ASP 187 CO 0.08 0.67 0.50 -1.28 -0.00 0.00 0.00 179.24 179.21 3dkv h SER 188 N 0.69 0.84 0.08 2.28 0.87 -1.38 -2.63 113.55 114.31 3dkv h SER 188 Ca 0.15 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3dkv h SER 188 Cb 0.28 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3dkv h SER 188 CO -0.00 0.59 0.00 0.29 -0.53 0.00 0.00 176.83 177.18 3dkv n LYS 189 N -4.59 0.88 -3.85 2.24 4.76 -0.85 -4.92 118.16 111.82 3dkv n LYS 189 Ca 0.09 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 3dkv n LYS 189 Cb 0.07 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 3dkv n LYS 189 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3dkv n GLU 190 N -1.04 -5.98 0.00 1.97 -0.58 -0.97 -4.89 120.64 109.14 3dkv n GLU 190 Ca 0.22 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 3dkv n GLU 190 Cb 0.13 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.44 3dkv n GLU 190 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3dkv n VAL 191 N -4.74 0.00 -2.80 2.62 0.24 -1.18 -5.05 118.33 107.41 3dkv n VAL 191 Ca 0.03 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.42 3dkv n VAL 191 Cb 0.53 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 3dkv n VAL 191 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3dkv s LEU 192 N -0.22 4.33 -0.08 1.34 2.96 -1.24 -0.62 118.68 125.14 3dkv s LEU 192 Ca 0.00 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.43 3dkv s LEU 192 Cb 0.00 -3.43 0.02 0.00 0.50 0.00 0.00 46.19 43.28 3dkv s LEU 192 CO 0.00 -0.25 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.98 3dkv s VAL 193 N 1.14 1.11 -0.01 1.68 1.01 0.26 -4.94 120.40 120.64 3dkv s VAL 193 Ca 0.47 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 3dkv s VAL 193 Cb -0.20 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3dkv s VAL 193 CO 0.24 0.36 0.62 0.20 0.00 0.00 0.00 175.10 176.51 3dkv s ASN 194 N 1.04 6.99 -0.03 3.32 0.01 -1.26 -0.61 114.94 124.40 3dkv s ASN 194 Ca -0.07 1.18 0.06 0.00 -0.71 0.00 0.00 52.86 53.32 3dkv s ASN 194 Cb -0.15 -2.38 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 3dkv s ASN 194 CO -0.01 0.07 -0.22 0.54 -1.51 0.00 0.00 177.10 175.97 3dkv s VAL 195 N -0.05 2.36 -0.57 1.60 0.11 0.39 -4.92 120.40 119.33 3dkv s VAL 195 Ca 0.32 -0.98 -0.28 0.00 -2.93 0.00 0.00 61.98 58.11 3dkv s VAL 195 Cb -0.18 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 3dkv s VAL 195 CO 0.18 0.58 1.47 0.21 -3.33 0.00 0.00 175.10 174.21 3dkv s ASN 196 N -0.58 6.03 0.00 3.54 2.47 -1.26 -0.49 114.94 124.65 3dkv s ASN 196 Ca 0.08 0.29 0.29 0.00 0.42 0.00 0.00 52.86 53.95 3dkv s ASN 196 Cb -0.11 -2.54 1.31 0.00 -1.45 0.00 0.00 41.25 38.46 3dkv s ASN 196 CO 0.00 -1.79 1.90 0.61 -3.72 0.00 0.00 177.10 174.11 3dkv n GLY 197 N 5.32 -0.73 2.63 1.21 0.00 0.02 -4.37 105.19 109.28 3dkv n GLY 197 Ca 0.13 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3dkv n GLY 197 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dkv n GLN 198 N -0.69 4.63 -4.11 1.61 7.27 -1.22 -4.88 117.38 119.98 3dkv n GLN 198 Ca 0.17 -3.87 -0.11 0.00 0.07 0.00 0.00 57.00 53.26 3dkv n GLN 198 Cb 0.26 -2.63 -0.08 0.00 2.41 0.00 0.00 30.24 30.21 3dkv n GLN 198 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3dkv s GLN 199 N -1.83 1.40 0.51 3.69 -0.21 -1.26 -5.10 119.66 116.87 3dkv s GLN 199 Ca 0.46 -1.47 -0.21 0.00 0.02 0.00 0.00 55.36 54.15 3dkv s GLN 199 Cb 0.16 0.37 -0.08 0.00 1.00 0.00 0.00 33.01 34.46 3dkv s GLN 199 CO -0.07 -0.53 0.90 -0.25 -2.12 0.00 0.00 175.29 173.23 3dkv n ASP 200 N -0.40 0.66 -0.20 5.90 8.00 -1.26 -4.71 116.55 124.54 3dkv n ASP 200 Ca 0.00 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.40 3dkv n ASP 200 Cb 0.64 -1.33 0.08 0.00 -0.02 0.00 0.00 41.12 40.49 3dkv n ASP 200 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3dkv h ILE 201 N 0.91 0.45 0.00 0.53 2.04 -1.95 -1.16 117.51 118.33 3dkv h ILE 201 Ca -0.46 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3dkv h ILE 201 Cb 1.36 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3dkv h ILE 201 CO 0.53 0.01 -0.21 0.06 0.00 0.00 0.00 178.15 178.54 3dkv h GLN 202 N 0.06 0.00 0.00 2.37 3.07 -1.99 -0.99 115.11 117.64 3dkv h GLN 202 Ca 0.31 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.81 3dkv h GLN 202 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.06 3dkv h GLN 202 CO -0.57 0.21 -0.98 -0.44 0.09 0.00 0.00 178.83 177.14 3dkv h ASP 203 N 0.00 0.67 -0.42 0.06 3.32 -1.60 -0.01 116.42 118.44 3dkv h ASP 203 Ca -0.00 -0.54 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 3dkv h ASP 203 Cb 0.45 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3dkv h ASP 203 CO 0.03 1.34 0.17 0.58 -1.72 0.00 0.00 179.24 179.64 3dkv h VAL 204 N 0.29 1.20 -0.53 -1.35 2.07 -0.91 -2.72 116.25 114.29 3dkv h VAL 204 Ca -0.10 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3dkv h VAL 204 Cb 1.63 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3dkv h VAL 204 CO 0.18 0.22 0.07 0.15 0.02 0.00 0.00 177.57 178.21 3dkv h PHE 205 N 0.53 0.90 -0.68 1.57 3.57 -1.13 -1.20 116.94 120.49 3dkv h PHE 205 Ca 0.14 -0.11 0.14 0.00 3.53 0.00 0.00 57.97 61.68 3dkv h PHE 205 Cb 0.18 -0.25 -0.10 0.00 2.79 0.00 0.00 35.95 38.56 3dkv h PHE 205 CO -0.00 0.78 0.12 0.00 -2.23 0.00 0.00 178.31 176.98 3dkv h ALA 206 N 1.27 0.82 -0.41 2.41 0.00 -0.89 0.19 119.26 122.64 3dkv h ALA 206 Ca 0.17 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 3dkv h ALA 206 Cb 0.38 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3dkv h ALA 206 CO 0.01 -0.34 -0.32 -0.44 0.00 0.00 0.00 179.25 178.15 3dkv h ASP 207 N 0.23 0.99 -0.83 0.00 3.45 -1.10 -2.50 116.42 116.67 3dkv h ASP 207 Ca 0.37 -0.44 0.04 0.00 0.43 0.00 0.00 57.03 57.43 3dkv h ASP 207 Cb 0.61 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 39.05 3dkv h ASP 207 CO -0.49 1.23 0.52 0.58 -1.57 0.00 0.00 179.24 179.51 3dkv h VAL 208 N 0.77 1.10 -0.28 -1.35 2.07 -0.68 -2.65 116.25 115.24 3dkv h VAL 208 Ca 0.08 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3dkv h VAL 208 Cb 0.91 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3dkv h VAL 208 CO 0.08 0.18 -0.09 0.11 0.02 0.00 0.00 177.57 177.87 3dkv h LYS 209 N 1.00 0.45 -0.39 1.57 1.57 -0.37 -1.05 116.57 119.36 3dkv h LYS 209 Ca 0.34 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 59.08 3dkv h LYS 209 Cb 0.07 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 3dkv h LYS 209 CO -0.14 0.56 -0.05 0.28 -0.57 0.00 0.00 179.45 179.53 3dkv h VAL 210 N 0.43 0.66 0.60 0.50 2.07 -1.08 0.41 116.25 119.84 3dkv h VAL 210 Ca 0.08 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3dkv h VAL 210 Cb 0.43 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3dkv h VAL 210 CO 0.02 0.01 -0.29 0.40 0.02 0.00 0.00 177.57 177.73 3dkv h ILE 211 N 0.05 0.21 -0.01 4.57 2.04 -1.40 -3.21 117.51 119.76 3dkv h ILE 211 Ca 0.19 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.55 3dkv h ILE 211 Cb 0.28 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3dkv h ILE 211 CO -0.36 0.03 -0.67 -0.07 0.00 0.00 0.00 178.15 177.08 3dkv h LEU 212 N -1.10 0.08 -2.31 1.44 3.38 -1.15 -2.45 115.31 113.19 3dkv h LEU 212 Ca -0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3dkv h LEU 212 Cb 0.67 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dkv h LEU 212 CO 0.14 0.73 -0.01 1.23 0.09 0.00 0.00 178.44 180.62 3dkv h GLY 213 N 1.88 0.00 2.00 0.83 0.00 -0.28 -2.63 103.07 104.87 3dkv h GLY 213 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3dkv h GLY 213 CO 0.09 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 175.14 3dkv h GLY 214 N 0.88 0.00 -4.35 4.60 0.00 -1.44 -3.45 103.07 99.31 3dkv h GLY 214 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3dkv h GLY 214 CO 0.00 0.00 0.60 1.08 0.00 0.00 0.00 176.54 178.22 3dkv s LEU 215 N -6.48 4.40 -0.02 3.11 1.43 -0.99 -5.02 118.68 115.11 3dkv s LEU 215 Ca 0.02 2.20 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 3dkv s LEU 215 Cb 0.09 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.71 3dkv s LEU 215 CO 0.63 -0.48 -0.12 -0.75 0.23 0.00 0.00 176.35 175.86 3dkv s LYS 216 N 0.48 1.16 0.00 1.70 2.20 -1.26 -5.08 119.74 118.93 3dkv s LYS 216 Ca 0.58 -0.44 0.17 0.00 -0.36 0.00 0.00 55.97 55.92 3dkv s LYS 216 Cb -0.33 -1.08 1.01 0.00 -1.51 0.00 0.00 37.83 35.92 3dkv s LYS 216 CO 0.33 0.22 1.42 0.94 -0.36 0.00 0.00 175.35 177.89