#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdk n LYS 2 N 0.00 0.65 0.12 0.03 5.02 -1.26 -3.22 118.16 119.50 3cdk n LYS 2 Ca 0.00 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 3cdk n LYS 2 Cb 0.00 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.22 3cdk n LYS 2 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3cdk h GLU 3 N 0.00 0.56 -0.70 1.97 3.07 -2.04 -2.11 114.58 115.32 3cdk h GLU 3 Ca -0.24 -0.87 0.09 0.00 -0.50 0.00 0.00 59.36 57.84 3cdk h GLU 3 Cb 1.64 0.31 -0.12 0.00 -0.84 0.00 0.00 28.75 29.75 3cdk h GLU 3 CO 0.03 1.41 -0.47 0.00 -1.40 0.00 0.00 179.01 178.58 3cdk h ALA 4 N 0.19 -0.33 -0.64 3.43 0.00 -1.95 0.51 119.26 120.47 3cdk h ALA 4 Ca -0.23 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3cdk h ALA 4 Cb 2.05 1.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.87 3cdk h ALA 4 CO 0.26 -0.84 0.38 -0.09 0.00 0.00 0.00 179.25 178.95 3cdk h ARG 5 N -0.17 0.88 -0.04 0.00 2.43 -1.64 -1.31 114.38 114.54 3cdk h ARG 5 Ca 0.19 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3cdk h ARG 5 Cb 0.54 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3cdk h ARG 5 CO -0.77 0.64 -0.57 -0.22 -1.51 0.00 0.00 179.97 177.54 3cdk h LYS 6 N 0.87 0.11 0.21 0.20 3.11 -0.56 -0.56 116.57 119.96 3cdk h LYS 6 Ca 0.23 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.99 3cdk h LYS 6 Cb -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 3cdk h LYS 6 CO -0.04 0.65 -0.10 0.00 -2.81 0.00 0.00 179.45 177.15 3cdk h ARG 7 N 0.09 -0.27 -0.18 1.90 3.08 0.19 -2.10 114.38 117.09 3cdk h ARG 7 Ca -0.00 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3cdk h ARG 7 Cb 1.03 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 3cdk h ARG 7 CO 0.08 0.03 0.05 0.52 -1.07 0.00 0.00 179.97 179.58 3cdk h MET 8 N -0.59 0.12 -0.32 0.04 2.86 -1.13 -2.36 114.93 113.55 3cdk h MET 8 Ca -0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3cdk h MET 8 Cb 0.43 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3cdk h MET 8 CO 0.05 0.08 0.14 0.28 1.06 0.00 0.00 176.91 178.52 3cdk h VAL 9 N 0.13 1.17 -0.50 -2.22 2.07 -1.15 -2.32 116.25 113.43 3cdk h VAL 9 Ca 0.08 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3cdk h VAL 9 Cb 0.06 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3cdk h VAL 9 CO -0.10 0.18 0.14 0.50 0.02 0.00 0.00 177.57 178.31 3cdk h LYS 10 N 0.37 0.75 -0.38 1.57 3.11 -1.25 -1.95 116.57 118.79 3cdk h LYS 10 Ca 0.11 -0.14 -0.14 0.00 -2.81 0.00 0.00 60.65 57.67 3cdk h LYS 10 Cb 0.15 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 3cdk h LYS 10 CO -0.01 0.67 -0.32 -0.09 -2.81 0.00 0.00 179.45 176.89 3cdk h ARG 11 N 0.73 0.85 -0.46 1.90 9.65 -1.24 -3.21 114.38 122.61 3cdk h ARG 11 Ca 0.17 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.63 3cdk h ARG 11 Cb 0.25 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3cdk h ARG 11 CO -0.01 1.05 0.26 0.00 2.80 0.00 0.00 179.97 184.07 3cdk h ALA 12 N 0.92 0.59 -0.97 2.80 0.00 -0.81 -3.00 119.26 118.79 3cdk h ALA 12 Ca 0.08 -0.08 0.32 0.00 0.00 0.00 0.00 54.91 55.22 3cdk h ALA 12 Cb 0.88 -0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.32 3cdk h ALA 12 CO 0.08 0.10 0.40 0.28 0.00 0.00 0.00 179.25 180.11 3cdk h VAL 13 N 0.60 0.18 0.00 0.00 2.07 -1.39 0.49 116.25 118.21 3cdk h VAL 13 Ca 0.16 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3cdk h VAL 13 Cb 0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3cdk h VAL 13 CO -0.03 0.03 0.06 0.00 0.02 0.00 0.00 177.57 177.65 3cdk n GLN 14 N -5.22 0.00 0.12 1.57 6.02 -1.13 -1.56 117.38 117.18 3cdk n GLN 14 Ca 0.30 0.34 0.12 0.00 -0.01 0.00 0.00 57.00 57.74 3cdk n GLN 14 Cb 0.96 -1.56 0.11 0.00 1.02 0.00 0.00 30.24 30.77 3cdk n GLN 14 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3cdk h GLU 15 N 0.00 0.00 -6.47 -1.09 4.39 -0.18 -3.44 114.58 107.79 3cdk h GLU 15 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3cdk h GLU 15 Cb 0.12 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 3cdk h GLU 15 CO 0.00 0.00 0.83 0.42 -1.16 0.00 0.00 179.01 179.10 3cdk s ILE 16 N -3.26 4.23 0.06 3.13 1.01 -0.60 -5.02 121.20 120.76 3cdk s ILE 16 Ca 0.04 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 3cdk s ILE 16 Cb 0.10 -4.59 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 3cdk s ILE 16 CO 0.73 -1.07 0.24 -0.54 0.00 0.00 0.00 174.94 174.30 3cdk s LYS 17 N 4.38 3.48 0.26 2.79 -0.14 -1.26 -5.04 119.74 124.20 3cdk s LYS 17 Ca 0.43 -0.35 -0.28 0.00 -1.36 0.00 0.00 55.97 54.41 3cdk s LYS 17 Cb -0.08 -3.02 -0.15 0.00 -1.68 0.00 0.00 37.83 32.90 3cdk s LYS 17 CO 0.28 0.60 0.74 -3.47 -0.76 0.00 0.00 175.35 172.73 3cdk n ASP 18 N 0.37 -0.10 0.00 2.83 -0.08 -1.26 -2.66 116.55 115.65 3cdk n ASP 18 Ca -0.06 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.36 3cdk n ASP 18 Cb 0.51 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.86 3cdk n ASP 18 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cdk n GLY 19 N 1.64 2.13 3.75 0.27 0.00 0.27 -4.94 105.19 108.31 3cdk n GLY 19 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3cdk n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cdk s MET 20 N -0.60 2.99 -0.15 1.61 -1.94 -1.09 -4.83 119.30 115.29 3cdk s MET 20 Ca 0.00 2.18 -0.06 0.00 -1.71 0.00 0.00 55.69 56.10 3cdk s MET 20 Cb 0.00 -2.14 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 3cdk s MET 20 CO 0.00 -1.29 0.07 -0.80 -0.01 0.00 0.00 175.02 172.98 3cdk s ASN 21 N -1.08 5.71 0.00 3.03 0.01 -1.26 -1.81 114.94 119.54 3cdk s ASN 21 Ca 0.75 0.17 0.01 0.00 -0.71 0.00 0.00 52.86 53.08 3cdk s ASN 21 Cb -0.39 -1.89 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 3cdk s ASN 21 CO 0.45 0.26 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.56 3cdk s VAL 22 N -0.14 0.38 -0.16 1.60 1.01 -0.68 -1.66 120.40 120.75 3cdk s VAL 22 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3cdk s VAL 22 Cb -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3cdk s VAL 22 CO 0.01 0.01 -0.18 0.21 0.00 0.00 0.00 175.10 175.15 3cdk s ASN 23 N -0.37 3.37 -0.22 3.32 3.84 -0.23 -0.09 114.94 124.57 3cdk s ASN 23 Ca -0.01 -0.55 -0.09 0.00 0.21 0.00 0.00 52.86 52.42 3cdk s ASN 23 Cb -0.03 -1.51 -0.04 0.00 -0.55 0.00 0.00 41.25 39.11 3cdk s ASN 23 CO -0.00 0.06 0.11 -0.76 -2.79 0.00 0.00 177.10 173.72 3cdk s LEU 24 N 0.95 3.90 0.77 3.21 1.02 -1.26 -1.66 118.68 125.61 3cdk s LEU 24 Ca -0.03 0.05 -0.10 0.00 0.02 0.00 0.00 54.13 54.07 3cdk s LEU 24 Cb -0.15 -2.03 0.07 0.00 0.02 0.00 0.00 46.19 44.11 3cdk s LEU 24 CO -0.04 0.09 1.12 -0.83 0.02 0.00 0.00 176.35 176.71 3cdk s GLY 25 N 0.90 1.62 0.56 -3.19 0.00 -0.42 -4.78 107.32 102.01 3cdk s GLY 25 Ca 0.06 -0.73 -0.21 0.00 0.00 0.00 0.00 44.72 43.84 3cdk s GLY 25 CO 0.03 -0.27 1.33 4.51 0.00 0.00 0.00 173.10 178.70 3cdk n ILE 26 N -3.17 3.98 -0.95 0.90 0.13 -1.26 -3.18 119.36 115.81 3cdk n ILE 26 Ca 0.08 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.23 3cdk n ILE 26 Cb 0.61 -1.62 0.00 0.00 -0.84 0.00 0.00 39.64 37.79 3cdk n ILE 26 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3cdk n GLY 27 N 0.80 -0.04 0.37 4.50 0.00 -1.26 -4.47 105.19 105.09 3cdk n GLY 27 Ca 0.11 -1.64 0.22 0.00 0.00 0.00 0.00 46.02 44.71 3cdk n GLY 27 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3cdk h MET 28 N 0.00 0.43 0.00 1.61 1.85 -1.95 -1.92 114.93 114.95 3cdk h MET 28 Ca 0.00 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 3cdk h MET 28 Cb 0.00 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 31.93 3cdk h MET 28 CO 0.00 0.28 -0.07 -1.35 -0.40 0.00 0.00 176.91 175.38 3cdk h PRO 29 N 0.44 0.00 0.00 0.39 0.11 -1.79 -1.90 132.00 129.25 3cdk h PRO 29 Ca 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.76 3cdk h PRO 29 Cb 1.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.61 3cdk h PRO 29 CO -0.44 0.07 -0.05 1.79 -0.21 0.00 0.00 178.00 179.16 3cdk h THR 30 N 0.00 0.18 -0.25 -1.15 1.35 -1.30 -2.38 112.91 109.36 3cdk h THR 30 Ca -0.00 -0.43 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 3cdk h THR 30 Cb 0.25 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 3cdk h THR 30 CO 0.01 0.05 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.18 3cdk h LEU 31 N 0.00 0.37 -1.84 3.87 4.07 -1.52 -3.16 115.31 117.10 3cdk h LEU 31 Ca -0.00 -0.07 0.20 0.00 0.08 0.00 0.00 57.88 58.09 3cdk h LEU 31 Cb 0.35 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 3cdk h LEU 31 CO 0.01 0.49 0.54 0.58 -1.08 0.00 0.00 178.44 178.98 3cdk h VAL 32 N 0.37 0.66 -0.69 1.22 2.07 -1.58 -2.89 116.25 115.41 3cdk h VAL 32 Ca 0.08 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3cdk h VAL 32 Cb 0.37 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3cdk h VAL 32 CO 0.02 0.03 0.39 0.00 0.02 0.00 0.00 177.57 178.02 3cdk h ALA 33 N 1.63 1.39 -0.29 1.67 0.00 -1.74 -2.75 119.26 119.17 3cdk h ALA 33 Ca 0.38 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3cdk h ALA 33 Cb 1.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3cdk h ALA 33 CO -0.06 0.51 -0.12 -0.97 0.00 0.00 0.00 179.25 178.62 3cdk h ASN 34 N 0.96 0.48 -0.98 0.00 -1.24 -1.75 -3.05 115.58 109.99 3cdk h ASN 34 Ca 0.25 -0.12 -0.55 0.00 0.71 0.00 0.00 56.30 56.58 3cdk h ASN 34 Cb 0.00 -0.13 -0.30 0.00 0.73 0.00 0.00 38.32 38.63 3cdk h ASN 34 CO -0.04 0.63 0.71 -0.62 -1.29 0.00 0.00 177.43 176.82 3cdk n GLU 35 N -4.21 2.34 -2.83 6.67 -0.58 -1.04 -4.88 120.64 116.12 3cdk n GLU 35 Ca 0.01 -3.03 -0.42 0.00 -0.42 0.00 0.00 57.16 53.30 3cdk n GLU 35 Cb 0.32 -2.19 -0.04 0.00 -0.57 0.00 0.00 31.44 28.97 3cdk n GLU 35 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3cdk s ILE 36 N -3.64 4.87 0.44 -3.67 1.01 -1.16 -4.93 121.20 114.13 3cdk s ILE 36 Ca 0.58 1.77 -0.19 0.00 0.00 0.00 0.00 60.65 62.81 3cdk s ILE 36 Cb 0.48 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 3cdk s ILE 36 CO 0.08 0.07 0.94 -2.16 0.00 0.00 0.00 174.94 173.86 3cdk s PRO 37 N 1.80 4.12 0.46 2.79 0.05 -1.26 -4.97 135.00 138.00 3cdk s PRO 37 Ca 0.43 1.02 0.14 0.00 0.05 0.00 0.00 61.00 62.64 3cdk s PRO 37 Cb -0.18 -2.19 1.10 0.00 0.05 0.00 0.00 34.50 33.28 3cdk s PRO 37 CO 0.16 -0.08 2.06 -0.44 0.05 0.00 0.00 177.00 178.75 3cdk h ASP 38 N 1.65 0.24 -0.94 6.66 5.19 -1.99 -0.27 116.42 126.95 3cdk h ASP 38 Ca -0.48 -0.00 0.20 0.00 -0.62 0.00 0.00 57.03 56.13 3cdk h ASP 38 Cb 1.18 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 40.56 3cdk h ASP 38 CO 0.62 0.16 0.61 1.23 -3.12 0.00 0.00 179.24 178.74 3cdk h GLY 39 N 0.28 1.16 -6.90 2.75 0.00 -2.05 -3.42 103.07 94.90 3cdk h GLY 39 Ca 0.16 -0.24 -0.63 0.00 0.00 0.00 0.00 47.33 46.61 3cdk h GLY 39 CO -0.03 -0.02 0.08 0.14 0.00 0.00 0.00 176.54 176.70 3cdk s VAL 40 N -5.57 4.95 -0.22 4.60 1.01 -0.11 -4.96 120.40 120.10 3cdk s VAL 40 Ca -0.09 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 3cdk s VAL 40 Cb 0.23 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3cdk s VAL 40 CO 0.79 -0.20 -0.03 -1.00 0.00 0.00 0.00 175.10 174.66 3cdk s HIS 41 N 2.56 2.98 0.20 5.22 0.09 -1.26 -4.81 115.29 120.26 3cdk s HIS 41 Ca 0.23 -0.80 -0.05 0.00 -0.00 0.00 0.00 55.06 54.44 3cdk s HIS 41 Cb -0.15 -2.10 -0.03 0.00 -0.00 0.00 0.00 32.58 30.30 3cdk s HIS 41 CO 0.13 -0.47 0.23 0.54 -0.00 0.00 0.00 174.74 175.17 3cdk s VAL 42 N 1.37 0.02 -0.09 -0.90 0.11 -1.26 0.94 120.40 120.59 3cdk s VAL 42 Ca 0.04 -1.76 0.01 0.00 -2.93 0.00 0.00 61.98 57.35 3cdk s VAL 42 Cb -0.14 -2.28 0.02 0.00 -1.53 0.00 0.00 36.38 32.45 3cdk s VAL 42 CO -0.01 -0.10 -0.11 -0.04 -3.33 0.00 0.00 175.10 171.50 3cdk s MET 43 N -4.08 1.71 -0.10 1.54 1.00 -0.75 -5.01 119.30 113.61 3cdk s MET 43 Ca 0.30 -0.38 -0.22 0.00 0.00 0.00 0.00 55.69 55.39 3cdk s MET 43 Cb 0.05 -1.53 -0.03 0.00 0.00 0.00 0.00 34.83 33.31 3cdk s MET 43 CO 0.08 -0.09 0.66 -0.51 0.00 0.00 0.00 175.02 175.17 3cdk s LEU 44 N 1.06 4.27 -0.12 -0.03 2.01 -1.26 -1.68 118.68 122.94 3cdk s LEU 44 Ca -0.07 1.06 -0.16 0.00 0.01 0.00 0.00 54.13 54.97 3cdk s LEU 44 Cb -0.15 -2.99 -0.05 0.00 0.01 0.00 0.00 46.19 43.02 3cdk s LEU 44 CO -0.01 -0.14 0.41 -1.58 1.01 0.00 0.00 176.35 176.04 3cdk s GLN 45 N 1.05 4.26 -0.17 1.70 -0.44 0.87 -1.23 119.66 125.69 3cdk s GLN 45 Ca 0.34 0.34 -0.01 0.00 -2.50 0.00 0.00 55.36 53.52 3cdk s GLN 45 Cb -0.17 -3.40 -0.01 0.00 -1.64 0.00 0.00 33.01 27.79 3cdk s GLN 45 CO 0.15 0.25 -0.10 0.45 0.50 0.00 0.00 175.29 176.54 3cdk s SER 46 N 0.36 4.00 0.00 6.67 0.15 0.16 -4.47 113.70 120.56 3cdk s SER 46 Ca 0.23 -0.40 0.25 0.00 0.70 0.00 0.00 55.95 56.73 3cdk s SER 46 Cb -0.15 -1.64 1.10 0.00 -1.71 0.00 0.00 66.02 63.62 3cdk s SER 46 CO 0.09 0.07 1.82 -1.84 1.20 0.00 0.00 173.24 174.57 3cdk n GLU 47 N 4.20 0.04 0.00 5.44 0.28 -1.26 0.03 120.64 129.37 3cdk n GLU 47 Ca -0.19 0.06 0.15 0.00 -0.16 0.00 0.00 57.16 57.03 3cdk n GLU 47 Cb 0.52 -1.50 0.81 0.00 1.43 0.00 0.00 31.44 32.70 3cdk n GLU 47 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3cdk n ASN 48 N -1.48 0.01 0.00 -1.84 2.04 -1.26 -4.78 115.26 107.94 3cdk n ASN 48 Ca 0.07 -0.39 0.00 0.00 -0.44 0.00 0.00 54.58 53.81 3cdk n ASN 48 Cb 0.29 -0.20 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 3cdk n ASN 48 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3cdk n GLY 49 N 1.20 0.94 2.99 4.83 0.00 0.10 -4.71 105.19 110.56 3cdk n GLY 49 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3cdk n GLY 49 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cdk s LEU 50 N 0.00 0.47 -0.42 0.99 2.96 0.36 -2.70 118.68 120.35 3cdk s LEU 50 Ca 0.00 0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 54.22 3cdk s LEU 50 Cb 0.00 0.57 0.05 0.00 0.50 0.00 0.00 46.19 47.31 3cdk s LEU 50 CO 0.00 -0.17 0.29 -0.22 -1.32 0.00 0.00 176.35 174.93 3cdk s LEU 51 N 1.32 5.12 0.00 -0.68 2.96 -0.06 0.35 118.68 127.70 3cdk s LEU 51 Ca -0.08 -1.15 0.00 0.00 -0.22 0.00 0.00 54.13 52.67 3cdk s LEU 51 Cb -0.11 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.49 3cdk s LEU 51 CO -0.07 -0.50 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 3cdk n GLY 52 N 5.07 0.68 3.53 7.98 0.00 -0.37 -1.67 105.19 120.41 3cdk n GLY 52 Ca -0.11 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.40 3cdk n GLY 52 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cdk n ILE 53 N 0.00 0.99 -4.72 -0.61 5.41 -0.89 -1.09 119.36 118.46 3cdk n ILE 53 Ca 0.00 -0.25 -0.32 0.00 1.00 0.00 0.00 62.75 63.18 3cdk n ILE 53 Cb 0.00 -0.51 -0.07 0.00 -0.71 0.00 0.00 39.64 38.35 3cdk n ILE 53 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3cdk s GLY 54 N -0.24 3.01 1.22 7.39 0.00 0.29 -4.50 107.32 114.49 3cdk s GLY 54 Ca 0.74 -0.34 -0.18 0.00 0.00 0.00 0.00 44.72 44.93 3cdk s GLY 54 CO 0.54 -2.12 1.06 2.56 0.00 0.00 0.00 173.10 175.15 3cdk s PRO 55 N -3.84 -1.34 0.42 2.90 0.04 -1.26 -3.33 135.00 128.59 3cdk s PRO 55 Ca 0.06 0.15 -0.26 0.00 0.04 0.00 0.00 61.00 61.00 3cdk s PRO 55 Cb 0.01 -1.56 -0.08 0.00 0.04 0.00 0.00 34.50 32.90 3cdk s PRO 55 CO 0.04 -3.84 1.30 0.71 0.04 0.00 0.00 177.00 175.25 3cdk s TYR 56 N -2.78 2.79 0.69 0.56 2.02 -1.26 -2.21 117.35 117.16 3cdk s TYR 56 Ca 0.69 1.42 -0.14 0.00 -0.37 0.00 0.00 57.07 58.66 3cdk s TYR 56 Cb -0.13 -3.66 0.02 0.00 -0.40 0.00 0.00 41.96 37.79 3cdk s TYR 56 CO 0.58 -2.09 1.13 -1.25 -1.57 0.00 0.00 175.55 172.35 3cdk s PRO 57 N -2.31 2.54 0.31 -1.71 0.04 -1.26 -4.89 135.00 127.72 3cdk s PRO 57 Ca 0.58 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 3cdk s PRO 57 Cb -0.37 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.12 3cdk s PRO 57 CO 0.48 -1.46 1.16 -0.11 0.04 0.00 0.00 177.00 177.10 3cdk n LEU 58 N -2.63 2.68 -4.68 -3.56 0.00 -1.26 -4.80 117.00 102.74 3cdk n LEU 58 Ca 0.11 1.19 -0.49 0.00 0.00 0.00 0.00 56.01 56.83 3cdk n LEU 58 Cb 0.52 -1.39 -0.05 0.00 0.00 0.00 0.00 43.42 42.50 3cdk n LEU 58 CO 0.48 -0.93 1.45 1.21 0.00 0.00 0.00 177.39 179.60 3cdk n GLU 59 N 0.70 2.11 0.00 1.96 2.13 -1.26 -0.90 120.64 125.38 3cdk n GLU 59 Ca 0.07 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3cdk n GLU 59 Cb 0.34 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.45 3cdk n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cdk n GLY 60 N 4.28 2.69 0.03 8.31 0.00 -1.26 -4.90 105.19 114.33 3cdk n GLY 60 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 3cdk n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cdk n THR 61 N -0.80 0.11 -1.52 2.61 -1.04 -0.08 -4.98 114.28 108.58 3cdk n THR 61 Ca 0.00 -0.37 -0.49 0.00 -2.04 0.00 0.00 64.05 61.15 3cdk n THR 61 Cb 0.00 0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 3cdk n THR 61 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3cdk n GLU 62 N -2.12 0.76 -4.45 -2.82 0.00 -1.22 -4.96 120.64 105.84 3cdk n GLU 62 Ca -0.01 0.27 -0.24 0.00 0.00 0.00 0.00 57.16 57.18 3cdk n GLU 62 Cb 0.50 -1.61 -0.17 0.00 0.00 0.00 0.00 31.44 30.16 3cdk n GLU 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3cdk s ASP 63 N -0.39 1.66 0.63 -1.84 1.01 -1.26 -5.04 116.67 111.43 3cdk s ASP 63 Ca 0.70 -0.27 0.40 0.00 0.71 0.00 0.00 52.55 54.09 3cdk s ASP 63 Cb -0.89 -0.76 2.09 0.00 1.01 0.00 0.00 42.92 44.37 3cdk s ASP 63 CO 0.55 0.00 2.26 0.00 0.21 0.00 0.00 175.17 178.19 3cdk h ALA 64 N 7.12 1.04 -0.24 5.23 0.00 -2.00 0.80 119.26 131.21 3cdk h ALA 64 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3cdk h ALA 64 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3cdk h ALA 64 CO 0.47 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.48 3cdk n ASP 65 N -3.16 1.40 -3.65 0.00 8.00 -1.26 -4.74 116.55 113.14 3cdk n ASP 65 Ca -0.02 -1.93 -0.29 0.00 0.71 0.00 0.00 54.79 53.26 3cdk n ASP 65 Cb 0.14 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 3cdk n ASP 65 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3cdk s LEU 66 N -1.11 1.29 0.04 0.64 2.96 0.27 -5.12 118.68 117.66 3cdk s LEU 66 Ca 0.21 -1.30 -0.03 0.00 -0.22 0.00 0.00 54.13 52.78 3cdk s LEU 66 Cb 0.11 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.19 3cdk s LEU 66 CO 0.15 -0.40 0.04 0.27 -1.32 0.00 0.00 176.35 175.09 3cdk s ILE 67 N 1.87 0.16 0.00 6.68 -4.36 -1.26 -2.87 121.20 121.43 3cdk s ILE 67 Ca 0.07 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3cdk s ILE 67 Cb -0.17 -1.02 0.00 0.00 1.25 0.00 0.00 42.46 42.52 3cdk s ILE 67 CO -0.26 -0.71 0.00 -0.46 0.24 0.00 0.00 174.94 173.75 3cdk n ASN 68 N 0.63 0.00 0.25 4.36 0.23 0.14 -4.88 115.26 115.99 3cdk n ASN 68 Ca -0.18 -0.97 0.12 0.00 -0.53 0.00 0.00 54.58 53.02 3cdk n ASN 68 Cb 0.59 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.95 3cdk n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cdk h ALA 69 N -1.15 1.22 -0.33 -2.53 0.00 -1.95 -1.70 119.26 112.82 3cdk h ALA 69 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3cdk h ALA 69 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3cdk h ALA 69 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3cdk n GLY 70 N -0.49 1.57 2.35 0.00 0.00 -1.26 -4.88 105.19 102.48 3cdk n GLY 70 Ca -0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 3cdk n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cdk n LYS 71 N 0.45 -0.92 -3.67 1.61 5.02 -0.64 -4.98 118.16 115.03 3cdk n LYS 71 Ca 0.13 0.90 -0.27 0.00 -2.02 0.00 0.00 58.31 57.06 3cdk n LYS 71 Cb 0.54 -4.98 -0.03 0.00 -0.02 0.00 0.00 35.03 30.55 3cdk n LYS 71 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3cdk s GLU 72 N -3.33 3.52 0.05 1.97 2.02 -1.26 -4.86 118.70 116.81 3cdk s GLU 72 Ca 0.00 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 3cdk s GLU 72 Cb 0.00 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 3cdk s GLU 72 CO 0.00 0.38 1.02 -0.08 0.02 0.00 0.00 175.26 176.60 3cdk s THR 73 N -1.90 4.59 0.00 3.63 -1.32 -1.26 -0.68 115.64 118.70 3cdk s THR 73 Ca 0.39 1.94 0.00 0.00 -1.21 0.00 0.00 61.69 62.81 3cdk s THR 73 Cb -0.11 -4.24 0.00 0.00 -1.51 0.00 0.00 72.50 66.64 3cdk s THR 73 CO 0.29 0.20 0.00 2.30 -2.21 0.00 0.00 174.62 175.20 3cdk n ILE 74 N 3.55 0.00 -4.20 5.08 -5.35 -1.14 -4.48 119.36 112.83 3cdk n ILE 74 Ca 0.05 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.42 3cdk n ILE 74 Cb 0.50 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.29 3cdk n ILE 74 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3cdk s THR 75 N -1.20 0.17 -0.01 7.28 2.01 -0.94 -4.26 115.64 118.68 3cdk s THR 75 Ca 0.00 -1.96 0.01 0.00 0.31 0.00 0.00 61.69 60.05 3cdk s THR 75 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 3cdk s THR 75 CO 0.00 -0.23 -0.00 -1.83 -0.69 0.00 0.00 174.62 171.86 3cdk s GLU 76 N -4.08 2.81 0.44 4.92 -1.05 -1.26 0.10 118.70 120.57 3cdk s GLU 76 Ca 0.31 -0.59 0.04 0.00 -0.15 0.00 0.00 54.97 54.58 3cdk s GLU 76 Cb 0.07 -2.68 0.01 0.00 -0.44 0.00 0.00 34.13 31.09 3cdk s GLU 76 CO 0.07 0.63 0.62 0.14 0.95 0.00 0.00 175.26 177.68 3cdk s VAL 77 N -1.05 3.56 -0.25 1.83 -7.23 -0.25 -4.69 120.40 112.31 3cdk s VAL 77 Ca 0.19 -0.76 -0.39 0.00 -1.81 0.00 0.00 61.98 59.20 3cdk s VAL 77 Cb -0.11 -3.27 -0.15 0.00 0.56 0.00 0.00 36.38 33.40 3cdk s VAL 77 CO 0.09 -0.15 1.75 0.41 -0.31 0.00 0.00 175.10 176.89 3cdk n THR 78 N -1.98 0.33 -0.52 5.32 -1.04 -1.26 -2.16 114.28 112.97 3cdk n THR 78 Ca 0.03 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3cdk n THR 78 Cb 0.58 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 3cdk n THR 78 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cdk n GLY 79 N 4.19 0.74 3.39 3.41 0.00 -1.26 -5.06 105.19 110.60 3cdk n GLY 79 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3cdk n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdk n ALA 80 N -0.45 -3.18 -3.38 4.61 0.00 -0.92 -4.99 120.51 112.21 3cdk n ALA 80 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 3cdk n ALA 80 Cb 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 3cdk n ALA 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cdk s SER 81 N -2.06 -0.43 0.17 0.00 1.04 -0.67 -5.00 113.70 106.74 3cdk s SER 81 Ca 0.59 0.50 0.07 0.00 0.48 0.00 0.00 55.95 57.59 3cdk s SER 81 Cb -0.18 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3cdk s SER 81 CO 0.66 -0.46 -0.00 -0.31 0.98 0.00 0.00 173.24 174.10 3cdk s TYR 82 N -0.98 2.85 0.15 5.02 2.02 -1.26 -0.88 117.35 124.26 3cdk s TYR 82 Ca -0.10 -0.13 -0.25 0.00 -0.37 0.00 0.00 57.07 56.22 3cdk s TYR 82 Cb -0.03 -1.39 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 3cdk s TYR 82 CO 0.06 0.51 0.87 -0.59 -1.57 0.00 0.00 175.55 174.83 3cdk s PHE 83 N -1.69 -0.22 0.84 2.71 -0.12 -1.10 -5.00 117.98 113.41 3cdk s PHE 83 Ca 0.27 -0.08 -0.09 0.00 -0.05 0.00 0.00 56.93 56.99 3cdk s PHE 83 Cb -0.09 0.63 0.16 0.00 -0.63 0.00 0.00 43.02 43.08 3cdk s PHE 83 CO 0.18 -0.85 1.16 0.16 -0.05 0.00 0.00 175.22 175.82 3cdk s ASP 84 N -2.84 3.75 0.30 1.98 1.47 -1.26 -4.48 116.67 115.60 3cdk s ASP 84 Ca 0.10 -0.02 0.05 0.00 1.18 0.00 0.00 52.55 53.86 3cdk s ASP 84 Cb -0.02 -0.20 0.48 0.00 -0.34 0.00 0.00 42.92 42.84 3cdk s ASP 84 CO -0.00 -2.29 1.74 0.28 0.68 0.00 0.00 175.17 175.58 3cdk h SER 85 N -1.09 0.36 -0.15 2.11 0.02 -1.87 -0.08 113.55 112.85 3cdk h SER 85 Ca -0.41 -0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.24 3cdk h SER 85 Cb 1.25 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3cdk h SER 85 CO 0.40 0.64 -0.59 0.00 -1.14 0.00 0.00 176.83 176.15 3cdk h ALA 86 N 1.39 0.52 -0.79 3.77 0.00 -1.94 -1.72 119.26 120.49 3cdk h ALA 86 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3cdk h ALA 86 Cb 0.68 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3cdk h ALA 86 CO 0.05 0.69 0.47 0.93 0.00 0.00 0.00 179.25 181.39 3cdk h GLU 87 N 0.56 1.08 -0.62 0.00 4.39 -1.85 -0.81 114.58 117.33 3cdk h GLU 87 Ca 0.00 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3cdk h GLU 87 Cb 1.18 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 3cdk h GLU 87 CO 0.12 0.77 0.21 1.03 -1.16 0.00 0.00 179.01 179.98 3cdk h SER 88 N 1.08 0.89 1.35 1.42 0.87 -0.22 -1.23 113.55 117.71 3cdk h SER 88 Ca 0.28 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3cdk h SER 88 Cb -0.03 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3cdk h SER 88 CO -0.05 0.84 -0.67 -0.26 -0.53 0.00 0.00 176.83 176.16 3cdk h PHE 89 N 0.88 0.00 -0.61 2.24 0.04 -1.32 -2.51 116.94 115.66 3cdk h PHE 89 Ca 0.20 0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.09 3cdk h PHE 89 Cb 0.26 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.31 3cdk h PHE 89 CO 0.02 0.31 0.05 0.00 -0.60 0.00 0.00 178.31 178.09 3cdk h ALA 90 N 1.69 0.65 -0.40 2.45 0.00 -0.61 0.84 119.26 123.89 3cdk h ALA 90 Ca -0.04 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cdk h ALA 90 Cb 1.27 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3cdk h ALA 90 CO 0.03 -0.36 0.25 0.52 0.00 0.00 0.00 179.25 179.69 3cdk h MET 91 N 0.17 0.53 0.16 0.00 2.86 -0.82 -0.47 114.93 117.37 3cdk h MET 91 Ca 0.32 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 3cdk h MET 91 Cb 0.51 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3cdk h MET 91 CO -0.48 0.38 -0.08 0.82 1.06 0.00 0.00 176.91 178.62 3cdk h ILE 92 N 0.53 0.89 -0.35 -1.22 2.04 -1.10 -2.20 117.51 116.10 3cdk h ILE 92 Ca 0.14 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3cdk h ILE 92 Cb -0.02 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3cdk h ILE 92 CO -0.03 0.22 0.16 -0.09 0.00 0.00 0.00 178.15 178.41 3cdk h ARG 93 N -0.82 0.49 0.00 2.37 2.43 0.61 -2.91 114.38 116.55 3cdk h ARG 93 Ca -0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3cdk h ARG 93 Cb 0.53 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3cdk h ARG 93 CO 0.04 0.39 0.00 0.41 -1.51 0.00 0.00 179.97 179.30 3cdk n GLY 94 N -1.28 -1.25 1.20 2.80 0.00 -0.18 -4.76 105.19 101.71 3cdk n GLY 94 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3cdk n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cdk n GLY 95 N 1.20 0.65 0.12 -0.02 0.00 -1.10 -4.97 105.19 101.07 3cdk n GLY 95 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3cdk n GLY 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3cdk h HIS 96 N 0.00 0.00 -3.01 1.61 3.86 -1.62 -3.43 115.15 112.56 3cdk h HIS 96 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3cdk h HIS 96 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 3cdk h HIS 96 CO 0.00 0.61 0.82 0.42 0.86 0.00 0.00 177.93 180.64 3cdk s ILE 97 N -2.90 4.45 0.21 2.45 -1.09 -1.24 -4.81 121.20 118.26 3cdk s ILE 97 Ca 0.02 1.76 0.18 0.00 -2.23 0.00 0.00 60.65 60.37 3cdk s ILE 97 Cb 0.08 -4.13 0.12 0.00 -1.58 0.00 0.00 42.46 36.95 3cdk s ILE 97 CO 0.77 -0.13 1.75 0.44 -1.23 0.00 0.00 174.94 176.54 3cdk h ASP 98 N 7.78 0.00 -3.27 3.58 3.32 -1.60 0.25 116.42 126.48 3cdk h ASP 98 Ca -0.25 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.81 3cdk h ASP 98 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 3cdk h ASP 98 CO 0.96 0.39 0.06 -0.22 -1.72 0.00 0.00 179.24 178.71 3cdk s LEU 99 N -7.22 -0.88 -0.12 1.55 2.96 -1.21 -1.89 118.68 111.87 3cdk s LEU 99 Ca -0.00 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 3cdk s LEU 99 Cb 0.12 2.39 0.02 0.00 0.50 0.00 0.00 46.19 49.22 3cdk s LEU 99 CO 0.69 -0.24 -0.13 0.00 -1.32 0.00 0.00 176.35 175.36 3cdk s ALA 100 N 1.26 1.62 -0.23 5.97 0.00 -0.61 -1.06 121.76 128.71 3cdk s ALA 100 Ca -0.07 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 3cdk s ALA 100 Cb -0.05 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 3cdk s ALA 100 CO -0.14 -0.25 0.15 0.42 0.00 0.00 0.00 175.76 175.94 3cdk s ILE 101 N 1.32 5.31 0.12 0.00 1.01 -0.66 -1.64 121.20 126.66 3cdk s ILE 101 Ca -0.00 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.85 3cdk s ILE 101 Cb -0.14 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3cdk s ILE 101 CO -0.06 0.37 -0.11 -0.76 0.00 0.00 0.00 174.94 174.38 3cdk s LEU 102 N 0.93 2.46 0.86 2.97 1.02 0.48 -1.30 118.68 126.11 3cdk s LEU 102 Ca 0.07 -0.90 -0.12 0.00 0.02 0.00 0.00 54.13 53.20 3cdk s LEU 102 Cb -0.13 -0.37 0.14 0.00 0.02 0.00 0.00 46.19 45.86 3cdk s LEU 102 CO 0.03 -0.27 1.21 -0.83 0.02 0.00 0.00 176.35 176.51 3cdk s GLY 103 N -2.77 1.72 -0.05 -3.19 0.00 -1.26 -1.80 107.32 99.97 3cdk s GLY 103 Ca 0.11 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 43.55 3cdk s GLY 103 CO 0.01 -0.44 0.48 -0.32 0.00 0.00 0.00 173.10 172.82 3cdk s GLY 104 N -4.74 -0.34 -0.05 0.20 0.00 -1.26 -4.83 107.32 96.29 3cdk s GLY 104 Ca 0.68 0.83 0.16 0.00 0.00 0.00 0.00 44.72 46.39 3cdk s GLY 104 CO 0.50 0.56 0.54 1.03 0.00 0.00 0.00 173.10 175.73 3cdk n MET 105 N 1.28 0.65 -3.55 2.90 2.81 -0.68 -4.84 117.12 115.69 3cdk n MET 105 Ca -0.20 0.16 -0.17 0.00 -1.81 0.00 0.00 57.70 55.68 3cdk n MET 105 Cb 0.56 -1.71 -0.06 0.00 -0.71 0.00 0.00 33.22 31.30 3cdk n MET 105 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3cdk s GLU 106 N -2.73 1.00 0.10 0.03 2.02 -1.04 -4.85 118.70 113.23 3cdk s GLU 106 Ca -0.06 0.28 0.04 0.00 0.02 0.00 0.00 54.97 55.25 3cdk s GLU 106 Cb 0.08 0.47 -0.04 0.00 0.10 0.00 0.00 34.13 34.75 3cdk s GLU 106 CO 0.83 -0.30 -0.11 0.08 0.02 0.00 0.00 175.26 175.79 3cdk s VAL 107 N -1.06 0.98 0.29 2.63 1.01 -0.67 -2.18 120.40 121.40 3cdk s VAL 107 Ca -0.10 -1.63 0.08 0.00 0.00 0.00 0.00 61.98 60.33 3cdk s VAL 107 Cb -0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 3cdk s VAL 107 CO 0.09 -0.53 -0.09 -0.94 0.00 0.00 0.00 175.10 173.63 3cdk s SER 108 N -2.41 3.13 0.28 3.32 1.04 -0.98 -0.64 113.70 117.44 3cdk s SER 108 Ca 0.05 -1.17 0.06 0.00 0.48 0.00 0.00 55.95 55.38 3cdk s SER 108 Cb -0.03 -0.24 0.79 0.00 0.10 0.00 0.00 66.02 66.64 3cdk s SER 108 CO 0.00 -0.25 1.35 -0.62 0.98 0.00 0.00 173.24 174.70 3cdk n GLU 109 N -0.64 -0.06 -0.02 4.02 1.02 0.15 -0.35 120.64 124.76 3cdk n GLU 109 Ca -0.05 1.26 0.13 0.00 -0.02 0.00 0.00 57.16 58.48 3cdk n GLU 109 Cb 0.63 -2.07 0.55 0.00 -0.02 0.00 0.00 31.44 30.53 3cdk n GLU 109 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3cdk n GLN 110 N -5.17 1.55 -0.96 3.49 6.02 -1.24 -3.32 117.38 117.75 3cdk n GLN 110 Ca 0.24 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 3cdk n GLN 110 Cb 0.78 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.59 3cdk n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cdk n GLY 111 N 1.12 0.42 3.74 1.08 0.00 0.53 -4.35 105.19 107.73 3cdk n GLY 111 Ca 0.19 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 3cdk n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cdk s ASP 112 N -2.93 4.56 0.07 1.61 1.01 -1.26 -0.36 116.67 119.37 3cdk s ASP 112 Ca 0.00 2.16 0.05 0.00 0.71 0.00 0.00 52.55 55.47 3cdk s ASP 112 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3cdk s ASP 112 CO 0.00 -2.01 -0.14 -0.22 0.21 0.00 0.00 175.17 173.01 3cdk s LEU 113 N -5.12 2.27 -0.22 1.23 2.96 -0.85 -2.32 118.68 116.63 3cdk s LEU 113 Ca 0.70 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3cdk s LEU 113 Cb -0.24 -0.50 0.09 0.00 0.50 0.00 0.00 46.19 46.04 3cdk s LEU 113 CO 0.44 -0.08 0.20 0.00 -1.32 0.00 0.00 176.35 175.59 3cdk s ALA 114 N -1.27 -0.07 0.00 5.97 0.00 -0.93 0.37 121.76 125.83 3cdk s ALA 114 Ca -0.02 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.88 3cdk s ALA 114 Cb -0.10 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.70 3cdk s ALA 114 CO 0.02 -1.33 0.85 0.27 0.00 0.00 0.00 175.76 175.58 3cdk n ASN 115 N 5.30 0.03 -0.01 0.00 2.04 -1.26 -1.68 115.26 119.68 3cdk n ASN 115 Ca -0.05 -1.68 0.03 0.00 -0.44 0.00 0.00 54.58 52.44 3cdk n ASN 115 Cb 0.48 -0.12 -0.07 0.00 -2.53 0.00 0.00 39.78 37.54 3cdk n ASN 115 CO 0.00 0.00 0.00 -2.67 -0.44 0.00 0.00 177.26 174.15 3cdk n TRP 116 N 0.03 0.00 -3.71 -2.53 4.27 -1.26 -4.77 117.44 109.47 3cdk n TRP 116 Ca -0.01 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.48 3cdk n TRP 116 Cb 0.66 -0.21 -0.10 0.00 -1.36 0.00 0.00 31.31 30.30 3cdk n TRP 116 CO 0.00 0.00 0.00 1.41 -2.29 0.00 0.00 177.69 176.81 3cdk s MET 117 N -2.54 0.52 -0.27 -2.67 0.00 -1.26 -4.28 119.30 108.79 3cdk s MET 117 Ca -0.03 0.70 -0.07 0.00 0.00 0.00 0.00 55.69 56.30 3cdk s MET 117 Cb 0.05 0.20 -0.00 0.00 0.00 0.00 0.00 34.83 35.07 3cdk s MET 117 CO 0.35 -0.09 0.07 0.42 0.00 0.00 0.00 175.02 175.76 3cdk s ILE 118 N 0.56 4.01 -0.07 10.11 1.09 -1.26 -4.20 121.20 131.44 3cdk s ILE 118 Ca -0.03 -0.52 -0.35 0.00 -1.10 0.00 0.00 60.65 58.66 3cdk s ILE 118 Cb -0.04 -2.99 -0.12 0.00 -1.06 0.00 0.00 42.46 38.24 3cdk s ILE 118 CO -0.03 0.19 1.82 -0.81 -0.10 0.00 0.00 174.94 176.01 3cdk n PRO 119 N 4.88 2.07 -2.28 2.79 -0.04 -1.26 -1.28 135.00 139.88 3cdk n PRO 119 Ca -0.15 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 3cdk n PRO 119 Cb 0.49 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3cdk n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cdk n GLY 120 N 4.22 0.94 0.00 0.55 0.00 -1.26 -5.14 105.19 104.49 3cdk n GLY 120 Ca 0.22 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3cdk n GLY 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cdk n LYS 121 N -0.49 2.92 -3.79 1.61 3.00 -0.40 -5.26 118.16 115.74 3cdk n LYS 121 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 3cdk n LYS 121 Cb 0.46 -0.24 -0.14 0.00 0.00 0.00 0.00 35.03 35.11 3cdk n LYS 121 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3cdk s VAL 123 N 0.00 1.46 -0.20 3.15 1.01 -1.26 -4.96 120.40 119.61 3cdk s VAL 123 Ca 0.00 -2.16 -0.16 0.00 0.00 0.00 0.00 61.98 59.66 3cdk s VAL 123 Cb 0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 3cdk s VAL 123 CO 0.00 -0.76 -0.30 0.29 0.00 0.00 0.00 175.10 174.33 3cdk n LYS 124 N 4.10 0.53 0.00 2.72 4.76 -1.26 -5.14 118.16 123.88 3cdk n LYS 124 Ca 0.04 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 3cdk n LYS 124 Cb 0.38 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3cdk n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cdk n GLY 125 N 1.44 2.94 0.01 0.72 0.00 -1.26 -4.99 105.19 104.04 3cdk n GLY 125 Ca -0.23 -1.98 0.07 0.00 0.00 0.00 0.00 46.02 43.89 3cdk n GLY 125 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3cdk n MET 126 N -1.32 0.81 0.00 1.61 0.00 -1.26 -4.84 117.12 112.12 3cdk n MET 126 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.59 3cdk n MET 126 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 31.92 3cdk n MET 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3cdk n GLY 127 N 1.62 2.89 0.01 3.17 0.00 -1.26 -2.19 105.19 109.43 3cdk n GLY 127 Ca -0.02 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3cdk n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cdk n GLY 128 N 0.00 -1.33 0.30 -0.02 0.00 -1.26 -4.41 105.19 98.46 3cdk n GLY 128 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3cdk n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdk h ALA 129 N 3.02 1.11 -0.15 4.61 0.00 -1.87 -1.82 119.26 124.16 3cdk h ALA 129 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3cdk h ALA 129 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3cdk h ALA 129 CO 0.00 0.09 -0.15 0.52 0.00 0.00 0.00 179.25 179.70 3cdk h MET 130 N 0.77 0.23 0.02 0.00 2.86 -1.77 -1.23 114.93 115.81 3cdk h MET 130 Ca 0.38 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3cdk h MET 130 Cb 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3cdk h MET 130 CO -0.23 0.39 -0.01 -0.44 1.06 0.00 0.00 176.91 177.68 3cdk h ASP 131 N 0.22 -0.02 -0.69 1.22 3.32 -1.68 -3.23 116.42 115.55 3cdk h ASP 131 Ca 0.04 -0.69 0.15 0.00 0.02 0.00 0.00 57.03 56.55 3cdk h ASP 131 Cb 0.41 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 39.85 3cdk h ASP 131 CO 0.03 0.70 0.03 -0.07 -1.72 0.00 0.00 179.24 178.20 3cdk h LEU 132 N -0.76 -0.26 -1.27 1.55 -0.00 -1.31 -1.14 115.31 112.11 3cdk h LEU 132 Ca -0.00 0.17 -0.05 0.00 -0.00 0.00 0.00 57.88 57.99 3cdk h LEU 132 Cb 0.71 0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 3cdk h LEU 132 CO 0.00 -0.13 -0.25 -0.37 -0.00 0.00 0.00 178.44 177.70 3cdk h VAL 133 N 0.13 0.69 0.00 1.22 -1.51 -1.29 -1.26 116.25 114.23 3cdk h VAL 133 Ca 0.37 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3cdk h VAL 133 Cb 0.63 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3cdk h VAL 133 CO -0.58 0.24 -0.98 0.59 -1.23 0.00 0.00 177.57 175.61 3cdk n ASN 134 N -3.53 0.62 -0.05 4.19 3.02 -0.95 -4.67 115.26 113.89 3cdk n ASN 134 Ca -0.01 -0.16 -0.06 0.00 -0.03 0.00 0.00 54.58 54.32 3cdk n ASN 134 Cb 0.40 0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 40.24 3cdk n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cdk n GLY 135 N 1.36 -0.29 3.77 7.41 0.00 -0.47 -4.99 105.19 111.98 3cdk n GLY 135 Ca 0.02 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3cdk n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdk s ALA 136 N -2.21 3.44 0.18 4.61 0.00 -0.54 -3.69 121.76 123.55 3cdk s ALA 136 Ca -0.09 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 3cdk s ALA 136 Cb 0.03 -3.60 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3cdk s ALA 136 CO 0.30 -1.10 1.84 0.87 0.00 0.00 0.00 175.76 177.66 3cdk h LYS 137 N 2.73 0.72 -5.64 0.00 1.57 -1.06 -3.42 116.57 111.47 3cdk h LYS 137 Ca -0.51 -0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 57.57 3cdk h LYS 137 Cb 1.25 -0.16 -0.32 0.00 0.08 0.00 0.00 32.23 33.08 3cdk h LYS 137 CO 0.63 0.48 -0.87 0.50 -0.57 0.00 0.00 179.45 179.62 3cdk s ARG 138 N -6.14 2.50 -0.21 3.15 3.52 -0.79 -4.99 118.95 115.99 3cdk s ARG 138 Ca -0.13 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 54.62 3cdk s ARG 138 Cb 0.12 -2.05 -0.00 0.00 -1.56 0.00 0.00 34.95 31.46 3cdk s ARG 138 CO 0.75 0.29 -0.07 0.42 -0.81 0.00 0.00 175.30 175.87 3cdk s ILE 139 N 0.05 3.11 -0.05 4.11 -1.09 -1.26 -1.57 121.20 124.49 3cdk s ILE 139 Ca -0.08 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 3cdk s ILE 139 Cb -0.15 -2.40 0.01 0.00 -1.58 0.00 0.00 42.46 38.34 3cdk s ILE 139 CO 0.05 0.45 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.40 3cdk s VAL 140 N 1.43 1.07 -0.10 2.92 1.01 -0.65 -1.01 120.40 125.07 3cdk s VAL 140 Ca 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3cdk s VAL 140 Cb -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3cdk s VAL 140 CO -0.05 0.33 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 3cdk s VAL 141 N 0.45 2.59 -0.14 2.92 1.01 -0.87 -0.39 120.40 125.97 3cdk s VAL 141 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3cdk s VAL 141 Cb -0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3cdk s VAL 141 CO 0.02 0.55 -0.15 0.27 0.00 0.00 0.00 175.10 175.80 3cdk s ILE 142 N 0.10 2.79 -0.18 2.22 -4.36 -0.74 -0.21 121.20 120.82 3cdk s ILE 142 Ca -0.09 -0.74 -0.16 0.00 -0.26 0.00 0.00 60.65 59.40 3cdk s ILE 142 Cb -0.15 -2.17 0.05 0.00 1.25 0.00 0.00 42.46 41.43 3cdk s ILE 142 CO 0.05 0.52 0.48 -0.32 0.24 0.00 0.00 174.94 175.91 3cdk s MET 143 N 0.63 0.55 0.32 0.37 1.75 -0.72 -4.00 119.30 118.21 3cdk s MET 143 Ca -0.08 0.66 -0.29 0.00 -1.25 0.00 0.00 55.69 54.73 3cdk s MET 143 Cb -0.16 0.27 -0.11 0.00 2.84 0.00 0.00 34.83 37.67 3cdk s MET 143 CO 0.03 -0.07 1.56 -2.00 -0.65 0.00 0.00 175.02 173.89 3cdk s GLU 144 N 0.27 4.11 0.24 4.11 2.12 -1.26 -3.90 118.70 124.38 3cdk s GLU 144 Ca -0.00 2.59 -0.00 0.00 0.36 0.00 0.00 54.97 57.91 3cdk s GLU 144 Cb -0.03 -3.00 0.26 0.00 0.26 0.00 0.00 34.13 31.62 3cdk s GLU 144 CO 0.00 -0.60 1.62 1.25 -0.54 0.00 0.00 175.26 176.99 3cdk h HIS 145 N 4.17 0.63 -4.17 5.30 -0.00 -1.94 -3.44 115.15 115.70 3cdk h HIS 145 Ca -0.48 -0.17 -0.52 0.00 -0.00 0.00 0.00 60.37 59.19 3cdk h HIS 145 Cb 1.23 -0.14 -0.27 0.00 -0.00 0.00 0.00 27.41 28.23 3cdk h HIS 145 CO 0.57 0.83 -0.82 0.08 -0.00 0.00 0.00 177.93 178.59 3cdk s VAL 146 N -4.29 1.37 0.76 5.26 1.01 -1.26 -1.03 120.40 122.23 3cdk s VAL 146 Ca -0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 3cdk s VAL 146 Cb 0.13 -1.19 0.11 0.00 0.00 0.00 0.00 36.38 35.43 3cdk s VAL 146 CO 0.82 0.20 1.06 0.54 0.00 0.00 0.00 175.10 177.71 3cdk s ASN 147 N -0.91 4.30 0.20 3.32 2.20 -0.39 -4.93 114.94 118.73 3cdk s ASN 147 Ca 0.05 0.12 -0.12 0.00 -0.94 0.00 0.00 52.86 51.98 3cdk s ASN 147 Cb -0.08 -0.56 0.23 0.00 -2.00 0.00 0.00 41.25 38.85 3cdk s ASN 147 CO 0.01 -1.92 1.69 0.11 -2.94 0.00 0.00 177.10 174.06 3cdk h LYS 148 N -0.78 0.17 0.00 3.55 1.79 -2.02 -1.10 116.57 118.19 3cdk h LYS 148 Ca -0.42 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3cdk h LYS 148 Cb 1.28 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3cdk h LYS 148 CO 0.48 0.12 0.00 0.72 -1.08 0.00 0.00 179.45 179.69 3cdk n HIS 149 N -5.18 0.00 -0.07 -1.35 8.25 -1.26 -4.85 115.22 110.76 3cdk n HIS 149 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3cdk n HIS 149 Cb 0.29 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3cdk n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cdk n GLY 150 N 0.11 0.47 3.75 -1.41 0.00 -0.42 -5.06 105.19 102.63 3cdk n GLY 150 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3cdk n GLY 150 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cdk s GLU 151 N -0.88 4.74 0.53 1.61 2.56 -1.26 -4.73 118.70 121.28 3cdk s GLU 151 Ca 0.00 1.63 -0.18 0.00 0.00 0.00 0.00 54.97 56.41 3cdk s GLU 151 Cb 0.00 -3.22 -0.06 0.00 2.00 0.00 0.00 34.13 32.85 3cdk s GLU 151 CO 0.00 0.37 1.06 -1.54 -0.56 0.00 0.00 175.26 174.58 3cdk s SER 152 N -1.06 6.06 0.00 -1.70 1.04 -1.26 -1.26 113.70 115.52 3cdk s SER 152 Ca 0.43 1.92 0.22 0.00 0.48 0.00 0.00 55.95 59.00 3cdk s SER 152 Cb -0.28 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.55 3cdk s SER 152 CO 0.36 -0.98 1.27 0.29 0.98 0.00 0.00 173.24 175.16 3cdk n LYS 153 N -1.40 2.23 -3.64 4.02 5.02 -0.19 -4.83 118.16 119.37 3cdk n LYS 153 Ca 0.09 -1.99 -0.39 0.00 -2.02 0.00 0.00 58.31 54.00 3cdk n LYS 153 Cb 0.52 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.99 3cdk n LYS 153 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cdk s VAL 154 N -1.68 3.87 0.29 -0.18 1.01 -1.26 -1.67 120.40 120.78 3cdk s VAL 154 Ca 0.30 -1.87 0.10 0.00 0.00 0.00 0.00 61.98 60.51 3cdk s VAL 154 Cb 0.20 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 3cdk s VAL 154 CO 0.29 -0.73 -0.13 -0.54 0.00 0.00 0.00 175.10 173.98 3cdk s LYS 155 N 1.28 1.66 0.06 2.72 1.02 0.19 -0.28 119.74 126.39 3cdk s LYS 155 Ca 0.06 -1.81 -0.33 0.00 0.02 0.00 0.00 55.97 53.92 3cdk s LYS 155 Cb -0.25 -1.55 -0.19 0.00 -0.52 0.00 0.00 37.83 35.32 3cdk s LYS 155 CO -0.02 0.19 1.53 0.87 -0.92 0.00 0.00 175.35 177.00 3cdk h LYS 156 N 2.22 -0.95 -5.17 1.68 1.57 -1.86 0.47 116.57 114.53 3cdk h LYS 156 Ca -0.40 0.06 -0.45 0.00 -1.87 0.00 0.00 60.65 57.99 3cdk h LYS 156 Cb 1.25 0.22 -0.27 0.00 0.08 0.00 0.00 32.23 33.50 3cdk h LYS 156 CO 0.65 -0.62 -0.80 -0.08 -0.57 0.00 0.00 179.45 178.03 3cdk s THR 157 N -5.79 1.01 0.32 -0.16 -1.32 -1.26 -3.45 115.64 104.99 3cdk s THR 157 Ca -0.18 -0.71 -0.28 0.00 -1.21 0.00 0.00 61.69 59.32 3cdk s THR 157 Cb 0.03 -0.88 -0.09 0.00 -1.51 0.00 0.00 72.50 70.05 3cdk s THR 157 CO 0.59 0.16 1.10 0.00 -2.21 0.00 0.00 174.62 174.26 3cdk n SER 159 N 0.82 1.59 -4.66 0.00 3.41 -1.26 -4.97 113.62 108.55 3cdk n SER 159 Ca 0.01 -1.24 -0.23 0.00 -0.26 0.00 0.00 58.87 57.14 3cdk n SER 159 Cb 0.46 0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 64.79 3cdk n SER 159 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cdk s LEU 160 N -2.57 3.27 0.22 1.04 1.43 -1.26 -4.99 118.68 115.82 3cdk s LEU 160 Ca 0.18 -0.58 -0.31 0.00 -1.03 0.00 0.00 54.13 52.39 3cdk s LEU 160 Cb 0.18 -1.80 -0.15 0.00 0.03 0.00 0.00 46.19 44.45 3cdk s LEU 160 CO 0.60 0.00 1.20 -2.65 0.23 0.00 0.00 176.35 175.74 3cdk n PRO 161 N -0.86 1.47 -2.78 1.29 -0.02 -1.26 -4.88 135.00 127.96 3cdk n PRO 161 Ca -0.07 0.52 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 3cdk n PRO 161 Cb 0.59 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 3cdk n PRO 161 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3cdk s LEU 162 N 0.41 4.56 0.07 2.45 1.43 -1.26 -4.34 118.68 121.99 3cdk s LEU 162 Ca 0.68 1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 55.52 3cdk s LEU 162 Cb -0.75 -3.54 -0.30 0.00 0.03 0.00 0.00 46.19 41.62 3cdk s LEU 162 CO 0.53 0.04 1.11 0.74 0.23 0.00 0.00 176.35 179.01 3cdk h THR 163 N 3.67 1.45 -2.42 5.49 2.02 -0.41 -3.47 112.91 119.24 3cdk h THR 163 Ca -0.44 -2.97 0.03 0.00 0.77 0.00 0.00 66.41 63.79 3cdk h THR 163 Cb 1.21 2.96 -0.16 0.00 -1.74 0.00 0.00 68.15 70.42 3cdk h THR 163 CO 0.70 0.87 0.34 -0.83 0.37 0.00 0.00 175.52 176.97 3cdk s GLY 164 N -4.64 -0.52 -0.22 2.16 0.00 -1.06 -4.56 107.32 98.48 3cdk s GLY 164 Ca -0.05 0.99 -0.06 0.00 0.00 0.00 0.00 44.72 45.60 3cdk s GLY 164 CO 0.90 0.46 0.02 1.62 0.00 0.00 0.00 173.10 176.11 3cdk s GLN 165 N -2.77 3.60 -1.22 2.90 0.74 -1.26 -2.01 119.66 119.64 3cdk s GLN 165 Ca -0.00 -0.52 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 3cdk s GLN 165 Cb -0.01 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 3cdk s GLN 165 CO -0.06 -0.10 0.77 1.63 -0.55 0.00 0.00 175.29 176.98 3cdk n LYS 166 N 4.60 -3.78 -0.02 1.67 5.02 -1.24 -4.88 118.16 119.53 3cdk n LYS 166 Ca -0.17 0.64 0.01 0.00 -2.02 0.00 0.00 58.31 56.77 3cdk n LYS 166 Cb 0.51 -5.10 -0.07 0.00 -0.02 0.00 0.00 35.03 30.36 3cdk n LYS 166 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3cdk n VAL 167 N -4.07 0.25 -2.71 -0.18 0.24 0.51 -4.87 118.33 107.50 3cdk n VAL 167 Ca -0.22 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 3cdk n VAL 167 Cb 0.65 -0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3cdk n VAL 167 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3cdk s VAL 168 N -2.45 4.77 -0.06 3.34 1.01 -0.23 -4.59 120.40 122.20 3cdk s VAL 168 Ca -0.04 1.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.86 3cdk s VAL 168 Cb 0.04 -4.29 -0.29 0.00 0.00 0.00 0.00 36.38 31.85 3cdk s VAL 168 CO 0.36 -0.03 0.61 0.45 0.00 0.00 0.00 175.10 176.49 3cdk h HIS 169 N 7.20 0.57 -3.43 5.22 -0.00 -1.40 -3.41 115.15 119.91 3cdk h HIS 169 Ca -0.28 -0.42 -0.24 0.00 -0.00 0.00 0.00 60.37 59.43 3cdk h HIS 169 Cb 1.13 -0.02 -0.30 0.00 -0.00 0.00 0.00 27.41 28.21 3cdk h HIS 169 CO 0.72 1.63 -0.63 0.50 -0.00 0.00 0.00 177.93 180.14 3cdk s ARG 170 N -2.58 0.07 -0.15 2.45 3.52 -0.78 -1.34 118.95 120.14 3cdk s ARG 170 Ca -0.16 0.22 -0.02 0.00 -0.13 0.00 0.00 55.73 55.65 3cdk s ARG 170 Cb 0.06 -0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 3cdk s ARG 170 CO 0.83 -0.10 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.96 3cdk s LEU 171 N 0.66 2.91 -0.15 -0.88 2.96 0.14 -2.05 118.68 122.26 3cdk s LEU 171 Ca -0.05 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3cdk s LEU 171 Cb -0.07 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.93 3cdk s LEU 171 CO -0.03 0.14 -0.14 0.27 -1.32 0.00 0.00 176.35 175.27 3cdk s ILE 172 N 0.51 2.76 0.15 6.68 -4.36 0.71 -0.12 121.20 127.54 3cdk s ILE 172 Ca -0.06 -0.74 0.01 0.00 -0.26 0.00 0.00 60.65 59.60 3cdk s ILE 172 Cb -0.15 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.40 3cdk s ILE 172 CO 0.03 0.51 0.12 0.35 0.24 0.00 0.00 174.94 176.20 3cdk n THR 173 N 4.02 0.00 0.86 8.37 -2.24 0.13 -1.76 114.28 123.66 3cdk n THR 173 Ca -0.19 -0.60 0.12 0.00 -2.27 0.00 0.00 64.05 61.11 3cdk n THR 173 Cb 0.52 -0.41 0.53 0.00 -2.10 0.00 0.00 70.33 68.86 3cdk n THR 173 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3cdk n ASP 174 N -2.03 0.00 -0.06 3.42 5.75 -1.25 -3.92 116.55 118.47 3cdk n ASP 174 Ca -0.00 0.47 -0.07 0.00 -0.01 0.00 0.00 54.79 55.17 3cdk n ASP 174 Cb 0.17 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 39.72 3cdk n ASP 174 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3cdk n LEU 175 N -1.49 2.63 -3.92 -2.12 4.32 -1.26 -4.73 117.00 110.43 3cdk n LEU 175 Ca 0.06 -0.05 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 3cdk n LEU 175 Cb 0.28 -0.33 -0.07 0.00 -1.62 0.00 0.00 43.42 41.69 3cdk n LEU 175 CO 0.23 0.64 -0.02 0.00 -1.22 0.00 0.00 177.39 177.01 3cdk s ALA 176 N -2.23 -0.11 -0.06 -1.18 0.00 -1.25 -0.71 121.76 116.22 3cdk s ALA 176 Ca -0.14 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3cdk s ALA 176 Cb 0.04 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3cdk s ALA 176 CO 0.28 -0.62 -0.23 0.08 0.00 0.00 0.00 175.76 175.26 3cdk s VAL 177 N -3.94 2.20 -0.02 0.00 1.01 -0.48 0.19 120.40 119.36 3cdk s VAL 177 Ca 0.14 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3cdk s VAL 177 Cb 0.03 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3cdk s VAL 177 CO -0.03 0.57 -0.18 -0.36 0.00 0.00 0.00 175.10 175.10 3cdk s PHE 178 N -0.18 1.71 0.09 5.22 0.08 0.83 -0.77 117.98 124.96 3cdk s PHE 178 Ca -0.03 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.69 3cdk s PHE 178 Cb -0.14 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 3cdk s PHE 178 CO 0.03 -0.08 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.55 3cdk s ASP 179 N -0.28 4.95 -0.12 1.36 1.01 -0.66 0.25 116.67 123.18 3cdk s ASP 179 Ca 0.03 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.13 3cdk s ASP 179 Cb -0.09 -1.16 0.00 0.00 1.01 0.00 0.00 42.92 42.69 3cdk s ASP 179 CO 0.00 0.18 -0.22 -0.36 0.21 0.00 0.00 175.17 174.98 3cdk s PHE 180 N -1.29 2.63 -0.30 4.23 0.40 -0.45 -1.62 117.98 121.57 3cdk s PHE 180 Ca 0.25 -1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 55.45 3cdk s PHE 180 Cb -0.12 -1.77 0.10 0.00 0.51 0.00 0.00 43.02 41.74 3cdk s PHE 180 CO 0.17 -0.48 0.09 0.08 0.70 0.00 0.00 175.22 175.79 3cdk s VAL 181 N 0.54 0.88 -1.09 -0.44 1.01 -0.92 -4.84 120.40 115.53 3cdk s VAL 181 Ca -0.13 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.37 3cdk s VAL 181 Cb -0.17 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3cdk s VAL 181 CO 0.04 -0.64 0.86 -3.20 0.00 0.00 0.00 175.10 172.17 3cdk n ASN 182 N 4.85 -5.92 0.00 3.32 5.15 -1.26 -3.41 115.26 117.99 3cdk n ASN 182 Ca -0.03 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 3cdk n ASN 182 Cb 0.42 -4.39 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 3cdk n ASN 182 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cdk n GLY 183 N -1.43 2.99 3.84 8.20 0.00 -1.26 -5.02 105.19 112.50 3cdk n GLY 183 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3cdk n GLY 183 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cdk s ARG 184 N -0.18 3.94 -0.06 1.61 1.70 -1.22 -3.62 118.95 121.12 3cdk s ARG 184 Ca 0.00 0.43 -0.03 0.00 -0.47 0.00 0.00 55.73 55.66 3cdk s ARG 184 Cb 0.00 -3.15 -0.04 0.00 -0.57 0.00 0.00 34.95 31.19 3cdk s ARG 184 CO 0.00 0.64 0.09 1.41 -1.08 0.00 0.00 175.30 176.36 3cdk s MET 185 N -1.32 3.20 -0.03 3.89 -2.45 -1.21 -2.17 119.30 119.21 3cdk s MET 185 Ca 0.28 -0.34 -0.00 0.00 -1.25 0.00 0.00 55.69 54.37 3cdk s MET 185 Cb -0.16 -2.97 0.03 0.00 1.25 0.00 0.00 34.83 32.98 3cdk s MET 185 CO 0.16 0.70 0.03 0.99 1.05 0.00 0.00 175.02 177.95 3cdk s THR 186 N -1.08 0.02 -0.04 10.11 2.01 -0.64 -0.44 115.64 125.58 3cdk s THR 186 Ca 0.19 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 3cdk s THR 186 Cb -0.12 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 3cdk s THR 186 CO 0.08 0.13 1.02 -0.22 -0.69 0.00 0.00 174.62 174.95 3cdk s LEU 187 N 1.32 4.32 0.00 4.42 2.96 0.74 -1.65 118.68 130.79 3cdk s LEU 187 Ca -0.06 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 3cdk s LEU 187 Cb -0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3cdk s LEU 187 CO -0.03 -0.37 0.00 1.07 -1.32 0.00 0.00 176.35 175.71 3cdk n THR 188 N 4.20 0.00 -4.05 3.68 5.66 0.05 -1.33 114.28 122.49 3cdk n THR 188 Ca 0.08 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.97 3cdk n THR 188 Cb 0.49 -0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 68.44 3cdk n THR 188 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3cdk s GLU 189 N -1.98 1.60 -0.01 1.09 2.02 -1.14 -4.43 118.70 115.85 3cdk s GLU 189 Ca 0.00 -1.45 0.01 0.00 0.02 0.00 0.00 54.97 53.55 3cdk s GLU 189 Cb 0.00 0.44 0.01 0.00 0.10 0.00 0.00 34.13 34.67 3cdk s GLU 189 CO 0.00 -0.65 -0.02 -1.17 0.02 0.00 0.00 175.26 173.44 3cdk s LEU 190 N -3.10 1.76 0.98 1.80 2.96 -1.26 -1.38 118.68 120.44 3cdk s LEU 190 Ca 0.27 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.99 3cdk s LEU 190 Cb 0.01 -0.16 0.18 0.00 0.50 0.00 0.00 46.19 46.72 3cdk s LEU 190 CO 0.12 -0.01 1.20 -1.10 -1.32 0.00 0.00 176.35 175.25 3cdk s GLN 191 N 0.25 0.57 0.24 1.98 -1.52 0.11 -4.96 119.66 116.33 3cdk s GLN 191 Ca -0.02 -0.04 -0.06 0.00 -1.95 0.00 0.00 55.36 53.28 3cdk s GLN 191 Cb -0.05 -1.80 0.28 0.00 -0.22 0.00 0.00 33.01 31.22 3cdk s GLN 191 CO -0.01 -2.52 1.89 -0.44 -0.25 0.00 0.00 175.29 173.97 3cdk h ASP 192 N -1.72 1.00 1.71 5.90 5.19 -1.87 -2.81 116.42 123.81 3cdk h ASP 192 Ca -0.47 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 3cdk h ASP 192 Cb 1.29 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.57 3cdk h ASP 192 CO 0.49 0.69 -0.18 1.23 -3.12 0.00 0.00 179.24 178.34 3cdk h GLY 193 N 1.17 0.00 -5.06 2.75 0.00 -1.93 -3.48 103.07 96.51 3cdk h GLY 193 Ca 0.36 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.06 3cdk h GLY 193 CO -0.11 0.00 -0.51 -1.34 0.00 0.00 0.00 176.54 174.58 3cdk s VAL 194 N -3.21 5.31 0.50 4.60 -7.23 -1.06 -5.12 120.40 114.18 3cdk s VAL 194 Ca 0.06 -0.28 0.04 0.00 -1.81 0.00 0.00 61.98 59.99 3cdk s VAL 194 Cb 0.07 -3.51 -0.00 0.00 0.56 0.00 0.00 36.38 33.50 3cdk s VAL 194 CO 0.68 0.26 0.19 0.42 -0.31 0.00 0.00 175.10 176.34 3cdk s THR 195 N -1.37 1.56 0.17 5.32 -4.23 -1.26 -4.77 115.64 111.06 3cdk s THR 195 Ca 0.29 -1.75 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3cdk s THR 195 Cb -0.13 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.46 3cdk s THR 195 CO 0.21 0.00 1.67 0.40 -0.54 0.00 0.00 174.62 176.36 3cdk h ILE 196 N 1.14 1.25 0.08 2.99 5.03 -2.00 -2.71 117.51 123.30 3cdk h ILE 196 Ca -0.41 -0.94 0.01 0.00 -0.12 0.00 0.00 64.86 63.39 3cdk h ILE 196 Cb 1.30 0.74 -0.03 0.00 -3.03 0.00 0.00 36.82 35.80 3cdk h ILE 196 CO 0.67 0.35 -0.32 -0.33 -0.68 0.00 0.00 178.15 177.84 3cdk h GLU 197 N 0.86 -0.44 -0.94 2.37 5.08 -1.99 0.12 114.58 119.63 3cdk h GLU 197 Ca 0.18 0.03 0.26 0.00 -1.00 0.00 0.00 59.36 58.84 3cdk h GLU 197 Cb 0.39 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.57 3cdk h GLU 197 CO 0.01 -0.29 0.11 1.49 -1.00 0.00 0.00 179.01 179.33 3cdk h GLU 198 N -0.46 0.06 -0.29 2.33 4.81 -1.95 0.32 114.58 119.40 3cdk h GLU 198 Ca -0.01 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3cdk h GLU 198 Cb 0.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3cdk h GLU 198 CO -0.17 0.04 -0.29 0.28 -0.73 0.00 0.00 179.01 178.14 3cdk h VAL 199 N 0.06 1.28 0.52 0.32 2.07 -1.04 0.14 116.25 119.61 3cdk h VAL 199 Ca 0.59 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3cdk h VAL 199 Cb 1.24 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3cdk h VAL 199 CO -0.82 0.45 -0.26 1.88 0.02 0.00 0.00 177.57 178.83 3cdk h TYR 200 N 0.52 -0.67 -1.11 1.57 0.05 0.15 -2.42 116.97 115.06 3cdk h TYR 200 Ca 0.07 -0.01 0.36 0.00 0.05 0.00 0.00 58.73 59.19 3cdk h TYR 200 Cb 0.77 0.23 -0.14 0.00 1.01 0.00 0.00 36.73 38.59 3cdk h TYR 200 CO 0.03 -0.41 0.67 0.93 -1.05 0.00 0.00 178.16 178.33 3cdk h GLU 201 N -0.71 0.21 -0.63 4.88 5.08 -0.76 0.39 114.58 123.04 3cdk h GLU 201 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3cdk h GLU 201 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3cdk h GLU 201 CO 0.11 0.14 0.00 1.63 -1.00 0.00 0.00 179.01 179.89 3cdk n LYS 202 N -4.91 2.51 -4.54 2.33 5.02 0.48 -4.91 118.16 114.15 3cdk n LYS 202 Ca 0.33 -2.28 -0.23 0.00 -2.02 0.00 0.00 58.31 54.11 3cdk n LYS 202 Cb 1.15 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 34.49 3cdk n LYS 202 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3cdk s THR 203 N -1.19 1.04 -0.08 -0.18 2.01 0.12 -4.66 115.64 112.70 3cdk s THR 203 Ca 0.42 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 62.01 3cdk s THR 203 Cb 0.22 -0.93 -0.24 0.00 0.01 0.00 0.00 72.50 71.56 3cdk s THR 203 CO 0.28 0.32 0.52 -0.62 -0.69 0.00 0.00 174.62 174.44 3cdk n GLU 204 N 3.52 0.68 -1.30 4.92 1.02 0.26 -4.89 120.64 124.86 3cdk n GLU 204 Ca -0.21 0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 56.85 3cdk n GLU 204 Cb 0.53 -1.75 0.09 0.00 -0.02 0.00 0.00 31.44 30.28 3cdk n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cdk n ALA 205 N -2.74 -0.64 -2.58 0.62 0.00 0.62 -4.11 120.51 111.68 3cdk n ALA 205 Ca -0.23 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 52.60 3cdk n ALA 205 Cb 1.05 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 3cdk n ALA 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cdk s ASP 206 N -1.63 6.87 -0.01 0.00 1.11 -1.26 -4.88 116.67 116.86 3cdk s ASP 206 Ca 0.71 1.04 -0.05 0.00 0.18 0.00 0.00 52.55 54.42 3cdk s ASP 206 Cb -0.34 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.32 3cdk s ASP 206 CO 0.53 0.07 0.11 0.72 1.18 0.00 0.00 175.17 177.78 3cdk s PHE 207 N 0.08 0.00 0.37 4.23 -0.12 -1.26 -4.37 117.98 116.91 3cdk s PHE 207 Ca 0.29 -0.01 -0.26 0.00 -0.05 0.00 0.00 56.93 56.90 3cdk s PHE 207 Cb -0.17 -0.03 -0.09 0.00 -0.63 0.00 0.00 43.02 42.10 3cdk s PHE 207 CO 0.15 -0.20 1.13 0.00 -0.05 0.00 0.00 175.22 176.25 3cdk s ALA 208 N -0.88 3.22 -0.17 1.99 0.00 0.41 -4.88 121.76 121.44 3cdk s ALA 208 Ca -0.10 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.62 3cdk s ALA 208 Cb -0.06 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3cdk s ALA 208 CO 0.01 -0.36 0.30 0.54 0.00 0.00 0.00 175.76 176.25 3cdk s VAL 209 N -1.40 5.29 0.65 0.00 0.11 -1.26 -0.19 120.40 123.60 3cdk s VAL 209 Ca 0.54 0.56 -0.17 0.00 -2.93 0.00 0.00 61.98 59.97 3cdk s VAL 209 Cb -0.29 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 3cdk s VAL 209 CO 0.37 0.36 0.74 -0.24 -3.33 0.00 0.00 175.10 173.00 3cdk n SER 210 N 3.76 -0.27 -0.04 3.54 2.88 -0.45 -4.89 113.62 118.16 3cdk n SER 210 Ca -0.11 0.70 -0.09 0.00 -1.33 0.00 0.00 58.87 58.04 3cdk n SER 210 Cb 0.52 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.66 3cdk n SER 210 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3cdk h GLN 211 N 0.04 -0.31 -6.42 -1.46 5.75 -1.96 -3.40 115.11 107.35 3cdk h GLN 211 Ca -0.47 0.02 -0.67 0.00 -0.15 0.00 0.00 58.65 57.38 3cdk h GLN 211 Cb 1.36 0.07 -0.17 0.00 1.07 0.00 0.00 27.48 29.82 3cdk h GLN 211 CO 0.47 -0.20 -0.72 -1.12 -2.65 0.00 0.00 178.83 174.60 3cdk s SER 212 N -4.99 4.48 0.00 -0.69 0.01 -1.26 -5.24 113.70 106.01 3cdk s SER 212 Ca -0.15 -0.27 0.11 0.00 1.31 0.00 0.00 55.95 56.96 3cdk s SER 212 Cb 0.12 -0.95 0.09 0.00 0.21 0.00 0.00 66.02 65.49 3cdk s SER 212 CO 0.67 0.23 0.86 0.52 0.41 0.00 0.00 173.24 175.93