#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdk h GLU 3 N 0.00 0.00 -0.91 1.64 4.81 -2.05 -2.24 114.58 115.84 3cdk h GLU 3 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3cdk h GLU 3 Cb 0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 3cdk h GLU 3 CO 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 179.01 177.77 3cdk n ALA 4 N -2.01 -0.51 0.24 2.92 0.00 -1.26 -0.41 120.51 119.48 3cdk n ALA 4 Ca 0.01 0.79 0.09 0.00 0.00 0.00 0.00 53.44 54.33 3cdk n ALA 4 Cb 0.48 -0.17 0.60 0.00 0.00 0.00 0.00 19.45 20.36 3cdk n ALA 4 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3cdk h ARG 5 N 0.00 0.00 -0.45 0.00 1.12 -1.81 -2.00 114.38 111.24 3cdk h ARG 5 Ca 0.17 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.95 3cdk h ARG 5 Cb 0.40 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 3cdk h ARG 5 CO -0.86 0.16 -0.07 -0.22 -3.11 0.00 0.00 179.97 175.87 3cdk h LYS 6 N 0.00 0.83 -0.36 0.20 3.64 -0.87 -0.50 116.57 119.51 3cdk h LYS 6 Ca -0.00 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 3cdk h LYS 6 Cb 0.34 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3cdk h LYS 6 CO 0.02 0.92 0.19 0.00 -2.27 0.00 0.00 179.45 178.32 3cdk h ARG 7 N 0.67 0.49 -0.10 1.90 3.08 -0.65 -2.58 114.38 117.19 3cdk h ARG 7 Ca 0.12 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.90 3cdk h ARG 7 Cb 0.59 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.55 3cdk h ARG 7 CO 0.04 0.37 -0.83 0.52 -1.07 0.00 0.00 179.97 178.99 3cdk h MET 8 N 0.50 0.68 0.04 0.04 2.86 -0.65 -2.82 114.93 115.57 3cdk h MET 8 Ca 0.13 -0.60 -0.16 0.00 -2.06 0.00 0.00 59.70 57.02 3cdk h MET 8 Cb 0.02 0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.83 3cdk h MET 8 CO -0.02 1.21 -0.64 0.28 1.06 0.00 0.00 176.91 178.79 3cdk h VAL 9 N 0.44 1.46 -0.47 -2.22 2.07 -1.14 -2.57 116.25 113.82 3cdk h VAL 9 Ca -0.07 -2.19 0.09 0.00 0.82 0.00 0.00 66.70 65.35 3cdk h VAL 9 Cb 1.46 2.76 -0.10 0.00 -1.52 0.00 0.00 31.29 33.89 3cdk h VAL 9 CO 0.16 0.63 -0.26 0.11 0.02 0.00 0.00 177.57 178.23 3cdk h LYS 10 N -0.19 -0.16 -0.06 1.57 1.79 -1.56 0.16 116.57 118.12 3cdk h LYS 10 Ca -0.09 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3cdk h LYS 10 Cb 1.39 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 3cdk h LYS 10 CO 0.12 -0.10 -0.08 -0.09 -1.08 0.00 0.00 179.45 178.22 3cdk h ARG 11 N -0.16 0.09 -0.03 3.15 9.65 -1.59 -2.97 114.38 122.52 3cdk h ARG 11 Ca 0.21 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.93 3cdk h ARG 11 Cb 0.50 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3cdk h ARG 11 CO -0.57 0.18 -0.64 0.00 2.80 0.00 0.00 179.97 181.74 3cdk h ALA 12 N 1.83 0.86 -0.66 2.80 0.00 -0.30 -2.81 119.26 120.98 3cdk h ALA 12 Ca 0.02 -0.57 0.19 0.00 0.00 0.00 0.00 54.91 54.54 3cdk h ALA 12 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3cdk h ALA 12 CO 0.01 0.77 0.47 0.28 0.00 0.00 0.00 179.25 180.79 3cdk h VAL 13 N 0.10 0.68 0.00 0.00 2.07 -1.07 -2.50 116.25 115.53 3cdk h VAL 13 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3cdk h VAL 13 Cb 1.15 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3cdk h VAL 13 CO 0.09 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3cdk n GLN 14 N -4.35 0.00 0.07 1.57 6.02 -1.06 -2.64 117.38 116.99 3cdk n GLN 14 Ca 0.13 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 3cdk n GLN 14 Cb 0.71 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.76 3cdk n GLN 14 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3cdk n GLU 15 N -1.50 0.25 -3.31 -1.09 -0.58 -0.94 -4.81 120.64 108.66 3cdk n GLU 15 Ca 0.06 0.12 -0.44 0.00 -0.42 0.00 0.00 57.16 56.48 3cdk n GLU 15 Cb 0.29 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.38 3cdk n GLU 15 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3cdk s ILE 16 N -3.12 5.11 0.56 -3.67 2.07 -1.08 -5.07 121.20 115.99 3cdk s ILE 16 Ca 0.09 -0.86 -0.02 0.00 -1.41 0.00 0.00 60.65 58.45 3cdk s ILE 16 Cb 0.14 -4.19 0.02 0.00 0.13 0.00 0.00 42.46 38.56 3cdk s ILE 16 CO 0.66 -0.66 0.82 -0.54 -1.91 0.00 0.00 174.94 173.32 3cdk s LYS 17 N 1.99 2.70 0.37 3.50 1.02 -1.26 -5.02 119.74 123.04 3cdk s LYS 17 Ca 0.08 -0.44 -0.28 0.00 0.02 0.00 0.00 55.97 55.35 3cdk s LYS 17 Cb -0.22 -2.40 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 3cdk s LYS 17 CO 0.09 -0.69 1.45 0.34 -0.92 0.00 0.00 175.35 175.62 3cdk s ASP 18 N -4.36 6.38 0.00 2.83 -1.08 -1.26 -2.84 116.67 116.33 3cdk s ASP 18 Ca 0.55 2.98 0.00 0.00 -0.52 0.00 0.00 52.55 55.55 3cdk s ASP 18 Cb -0.10 -2.66 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 3cdk s ASP 18 CO 0.41 -0.84 0.00 0.61 0.52 0.00 0.00 175.17 175.87 3cdk n GLY 19 N 0.52 2.26 3.72 2.66 0.00 -0.19 -4.99 105.19 109.17 3cdk n GLY 19 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.30 2.04 -0.26 1.61 -1.94 -1.13 -4.86 119.30 114.46 3cdk s MET 20 Ca 0.00 1.73 -0.04 0.00 -1.71 0.00 0.00 55.69 55.68 3cdk s MET 20 Cb 0.00 -1.82 0.02 0.00 2.01 0.00 0.00 34.83 35.03 3cdk s MET 20 CO 0.00 -1.91 -0.02 -0.80 -0.01 0.00 0.00 175.02 172.29 3cdk s ASN 21 N -2.12 4.56 0.01 3.03 0.01 -1.26 -2.98 114.94 116.19 3cdk s ASN 21 Ca 0.73 -0.74 0.07 0.00 -0.71 0.00 0.00 52.86 52.21 3cdk s ASN 21 Cb -0.28 -1.74 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 3cdk s ASN 21 CO 0.47 -0.13 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.04 3cdk s VAL 22 N 1.40 2.63 -0.19 1.60 1.01 -0.73 -1.98 120.40 124.14 3cdk s VAL 22 Ca 0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 3cdk s VAL 22 Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.18 3cdk s VAL 22 CO -0.02 0.44 -0.13 0.21 0.00 0.00 0.00 175.10 175.60 3cdk s ASN 23 N -1.10 3.70 -0.30 3.32 3.84 0.20 -0.86 114.94 123.74 3cdk s ASN 23 Ca 0.13 -0.51 -0.15 0.00 0.21 0.00 0.00 52.86 52.54 3cdk s ASN 23 Cb -0.10 -1.60 -0.03 0.00 -0.55 0.00 0.00 41.25 38.97 3cdk s ASN 23 CO 0.03 0.01 0.35 -0.76 -2.79 0.00 0.00 177.10 173.93 3cdk s LEU 24 N 1.27 4.19 0.72 3.21 1.02 -1.26 -1.11 118.68 126.72 3cdk s LEU 24 Ca 0.03 0.05 -0.14 0.00 0.02 0.00 0.00 54.13 54.10 3cdk s LEU 24 Cb -0.14 -2.36 0.04 0.00 0.02 0.00 0.00 46.19 43.75 3cdk s LEU 24 CO -0.07 -0.23 1.14 -0.83 0.02 0.00 0.00 176.35 176.38 3cdk s GLY 25 N 1.69 2.09 0.65 -3.19 0.00 0.13 -4.75 107.32 103.94 3cdk s GLY 25 Ca 0.13 0.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.28 3cdk s GLY 25 CO 0.11 0.99 1.29 -1.50 0.00 0.00 0.00 173.10 173.98 3cdk s ILE 26 N -2.35 2.05 0.00 0.90 1.10 -1.26 -3.08 121.20 118.57 3cdk s ILE 26 Ca 0.68 0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.86 3cdk s ILE 26 Cb -0.23 -2.99 0.00 0.00 0.15 0.00 0.00 42.46 39.39 3cdk s ILE 26 CO 0.46 -0.01 0.00 0.61 -2.11 0.00 0.00 174.94 173.90 3cdk n GLY 27 N 0.87 0.86 0.15 1.50 0.00 -1.26 -4.46 105.19 102.84 3cdk n GLY 27 Ca 0.16 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 0.07 0.00 1.61 4.05 -1.93 -2.85 114.93 115.88 3cdk h MET 28 Ca 0.00 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3cdk h MET 28 Cb 0.00 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.78 3cdk h MET 28 CO 0.00 0.05 -0.01 -1.35 0.23 0.00 0.00 176.91 175.83 3cdk h PRO 29 N 0.07 0.00 0.00 0.39 0.11 -1.78 -0.88 132.00 129.91 3cdk h PRO 29 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3cdk h PRO 29 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3cdk h PRO 29 CO -0.31 0.01 0.00 1.79 -0.21 0.00 0.00 178.00 179.28 3cdk h THR 30 N 0.00 0.00 0.00 -1.15 1.35 -1.43 -2.38 112.91 109.30 3cdk h THR 30 Ca -0.00 -0.35 -0.07 0.00 -0.55 0.00 0.00 66.41 65.44 3cdk h THR 30 Cb 0.03 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3cdk h THR 30 CO 0.00 0.00 -0.33 -0.07 -0.25 0.00 0.00 175.52 174.88 3cdk h LEU 31 N 0.00 0.00 -1.05 3.87 4.07 -1.32 -2.99 115.31 117.89 3cdk h LEU 31 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.08 3cdk h LEU 31 Cb 0.41 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.07 3cdk h LEU 31 CO 0.00 0.33 0.62 0.58 -1.08 0.00 0.00 178.44 178.89 3cdk h VAL 32 N 0.00 0.91 -0.81 1.22 2.07 -1.59 -2.46 116.25 115.59 3cdk h VAL 32 Ca -0.00 -0.33 0.33 0.00 0.82 0.00 0.00 66.70 67.53 3cdk h VAL 32 Cb 0.65 -0.12 -0.15 0.00 -1.52 0.00 0.00 31.29 30.15 3cdk h VAL 32 CO 0.04 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.22 3cdk n ALA 33 N -2.36 0.81 -0.28 1.67 0.00 -1.13 -0.13 120.51 119.10 3cdk n ALA 33 Ca 0.19 0.83 0.01 0.00 0.00 0.00 0.00 53.44 54.47 3cdk n ALA 33 Cb 0.37 -0.82 0.24 0.00 0.00 0.00 0.00 19.45 19.25 3cdk n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cdk n ASN 34 N -4.85 4.01 0.00 0.00 5.03 -0.92 -3.44 115.26 115.08 3cdk n ASN 34 Ca 0.30 -2.69 0.00 0.00 0.87 0.00 0.00 54.58 53.06 3cdk n ASN 34 Cb 1.02 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 3cdk n ASN 34 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3cdk n GLU 35 N 0.24 -0.00 -1.70 3.52 -0.58 0.82 -5.03 120.64 117.90 3cdk n GLU 35 Ca 0.22 -0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.41 3cdk n GLU 35 Cb 0.94 -0.58 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 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 -0.03 3.09 0.80 -3.67 1.01 -1.21 -4.96 121.20 116.23 3cdk s ILE 36 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 3cdk s ILE 36 Cb 0.00 -3.09 0.07 0.00 0.01 0.00 0.00 42.46 39.46 3cdk s ILE 36 CO 0.00 -0.03 1.10 -2.84 0.00 0.00 0.00 174.94 173.18 3cdk s PRO 37 N 4.95 2.00 0.17 2.79 0.02 -1.26 -4.95 135.00 138.72 3cdk s PRO 37 Ca 0.90 1.26 -0.14 0.00 0.02 0.00 0.00 61.00 63.03 3cdk s PRO 37 Cb -0.38 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.41 3cdk s PRO 37 CO 0.38 -1.85 1.75 -0.44 -0.33 0.00 0.00 177.00 176.52 3cdk h ASP 38 N -1.26 0.18 -0.96 2.53 3.32 -2.04 -2.47 116.42 115.72 3cdk h ASP 38 Ca -0.43 0.05 0.28 0.00 0.02 0.00 0.00 57.03 56.94 3cdk h ASP 38 Cb 1.24 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 3cdk h ASP 38 CO 0.49 0.14 0.86 1.23 -1.72 0.00 0.00 179.24 180.24 3cdk h GLY 39 N 0.34 0.00 -7.25 2.75 0.00 -2.02 -3.39 103.07 93.50 3cdk h GLY 39 Ca 0.21 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.81 3cdk h GLY 39 CO -0.21 0.00 -0.22 0.14 0.00 0.00 0.00 176.54 176.25 3cdk s VAL 40 N -4.70 5.14 -0.30 4.60 1.01 -0.93 -5.00 120.40 120.22 3cdk s VAL 40 Ca -0.04 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 3cdk s VAL 40 Cb 0.19 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3cdk s VAL 40 CO 0.64 -0.70 0.51 -1.00 0.00 0.00 0.00 175.10 174.56 3cdk s HIS 41 N 1.88 3.22 0.11 5.22 0.09 -1.26 -4.84 115.29 119.71 3cdk s HIS 41 Ca 0.06 0.44 -0.20 0.00 -0.00 0.00 0.00 55.06 55.36 3cdk s HIS 41 Cb -0.24 -2.81 0.05 0.00 -0.00 0.00 0.00 32.58 29.58 3cdk s HIS 41 CO 0.07 -0.39 0.48 0.08 -0.00 0.00 0.00 174.74 174.98 3cdk s VAL 42 N 2.35 0.04 -0.13 -0.90 1.01 -1.26 -1.02 120.40 120.49 3cdk s VAL 42 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3cdk s VAL 42 Cb -0.15 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3cdk s VAL 42 CO 0.11 -0.18 -0.13 -0.04 0.00 0.00 0.00 175.10 174.86 3cdk s MET 43 N -3.33 3.35 -0.25 2.72 -1.94 -1.16 -5.04 119.30 113.65 3cdk s MET 43 Ca -0.00 -0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 3cdk s MET 43 Cb 0.00 -2.63 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 3cdk s MET 43 CO -0.09 0.24 0.17 -0.51 -0.01 0.00 0.00 175.02 174.82 3cdk s LEU 44 N 0.29 4.09 -0.20 -0.03 1.02 -1.26 -1.78 118.68 120.80 3cdk s LEU 44 Ca -0.10 0.08 -0.14 0.00 0.02 0.00 0.00 54.13 54.00 3cdk s LEU 44 Cb -0.16 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 3cdk s LEU 44 CO 0.05 0.03 0.29 -1.58 0.02 0.00 0.00 176.35 175.16 3cdk s GLN 45 N 1.29 4.17 -0.26 1.70 -0.44 -0.04 -0.61 119.66 125.47 3cdk s GLN 45 Ca 0.08 0.02 -0.10 0.00 -2.50 0.00 0.00 55.36 52.85 3cdk s GLN 45 Cb -0.14 -3.51 -0.05 0.00 -1.64 0.00 0.00 33.01 27.67 3cdk s GLN 45 CO 0.07 0.07 0.17 0.45 0.50 0.00 0.00 175.29 176.54 3cdk s SER 46 N 0.88 5.99 0.05 6.67 0.15 0.80 -4.39 113.70 123.85 3cdk s SER 46 Ca 0.15 0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.88 3cdk s SER 46 Cb -0.14 -2.10 0.26 0.00 -1.71 0.00 0.00 66.02 62.34 3cdk s SER 46 CO 0.05 0.01 1.16 -1.84 1.20 0.00 0.00 173.24 173.83 3cdk n GLU 47 N 4.68 0.02 -0.00 5.44 0.00 -1.26 -0.94 120.64 128.58 3cdk n GLU 47 Ca -0.15 0.48 0.15 0.00 0.00 0.00 0.00 57.16 57.65 3cdk n GLU 47 Cb 0.52 -1.57 0.88 0.00 0.00 0.00 0.00 31.44 31.27 3cdk n GLU 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3cdk n ASN 48 N -1.62 0.14 0.00 -1.84 2.04 -1.26 -4.86 115.26 107.86 3cdk n ASN 48 Ca 0.00 -1.08 0.00 0.00 -0.44 0.00 0.00 54.58 53.06 3cdk n ASN 48 Cb 0.03 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 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 1.00 1.52 2.91 4.83 0.00 -0.12 -4.71 105.19 110.62 3cdk n GLY 49 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 1.34 -0.31 0.99 2.96 -0.90 -1.46 118.68 121.29 3cdk s LEU 50 Ca 0.00 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 3cdk s LEU 50 Cb 0.00 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.17 3cdk s LEU 50 CO 0.00 -0.05 0.11 -0.22 -1.32 0.00 0.00 176.35 174.87 3cdk s LEU 51 N 0.97 4.05 0.00 -0.68 2.96 0.37 -0.14 118.68 126.22 3cdk s LEU 51 Ca -0.10 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 3cdk s LEU 51 Cb -0.14 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.63 3cdk s LEU 51 CO 0.00 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 3cdk n GLY 52 N 4.89 1.28 3.62 7.98 0.00 0.22 -1.09 105.19 122.10 3cdk n GLY 52 Ca -0.14 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.02 0.07 -4.67 -0.61 5.41 -0.15 -0.94 119.36 118.44 3cdk n ILE 53 Ca 0.00 -0.01 -0.30 0.00 1.00 0.00 0.00 62.75 63.44 3cdk n ILE 53 Cb 0.00 -1.01 -0.07 0.00 -0.71 0.00 0.00 39.64 37.85 3cdk n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cdk n GLY 54 N 2.96 3.49 3.54 7.39 0.00 0.44 -4.60 105.19 118.42 3cdk n GLY 54 Ca 0.20 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 3cdk n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3cdk s PRO 55 N -3.71 -1.05 0.48 1.61 0.02 -1.26 -3.36 135.00 127.73 3cdk s PRO 55 Ca 0.06 0.30 -0.23 0.00 0.02 0.00 0.00 61.00 61.14 3cdk s PRO 55 Cb 0.00 -1.58 -0.07 0.00 0.02 0.00 0.00 34.50 32.87 3cdk s PRO 55 CO 0.04 -3.67 1.28 0.71 -0.33 0.00 0.00 177.00 175.02 3cdk s TYR 56 N -2.76 2.61 0.55 6.54 2.02 -1.26 -2.41 117.35 122.64 3cdk s TYR 56 Ca 0.68 1.44 -0.16 0.00 -0.37 0.00 0.00 57.07 58.67 3cdk s TYR 56 Cb -0.16 -3.62 -0.06 0.00 -0.40 0.00 0.00 41.96 37.72 3cdk s TYR 56 CO 0.59 -2.22 1.01 -1.25 -1.57 0.00 0.00 175.55 172.10 3cdk s PRO 57 N -2.69 3.73 0.22 -1.71 0.05 -1.26 -4.89 135.00 128.45 3cdk s PRO 57 Ca 0.65 1.00 -0.30 0.00 0.05 0.00 0.00 61.00 62.40 3cdk s PRO 57 Cb -0.36 -2.10 -0.10 0.00 0.05 0.00 0.00 34.50 32.00 3cdk s PRO 57 CO 0.43 -0.45 1.44 -0.51 0.05 0.00 0.00 177.00 177.96 3cdk s LEU 58 N -4.31 4.39 -0.01 -3.56 1.43 -1.26 -4.78 118.68 110.58 3cdk s LEU 58 Ca 0.60 2.61 -0.40 0.00 -1.03 0.00 0.00 54.13 55.91 3cdk s LEU 58 Cb -0.12 -3.61 -0.20 0.00 0.03 0.00 0.00 46.19 42.29 3cdk s LEU 58 CO 0.35 -0.70 1.12 -0.62 0.23 0.00 0.00 176.35 176.73 3cdk n GLU 59 N 2.73 0.14 -0.50 1.70 1.02 -1.26 -0.57 120.64 123.89 3cdk n GLU 59 Ca 0.08 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3cdk n GLU 59 Cb 0.40 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3cdk n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cdk n GLY 60 N 1.72 0.75 0.00 0.62 0.00 -1.26 -4.84 105.19 102.17 3cdk n GLY 60 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3cdk n GLY 60 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cdk n THR 61 N -2.18 0.11 -1.04 2.61 5.66 0.26 -5.06 114.28 114.65 3cdk n THR 61 Ca 0.00 -0.25 -0.34 0.00 -3.05 0.00 0.00 64.05 60.42 3cdk n THR 61 Cb 0.00 1.38 0.12 0.00 -1.55 0.00 0.00 70.33 70.28 3cdk n THR 61 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3cdk n GLU 62 N -0.06 0.06 -3.78 1.09 4.71 -1.24 -4.80 120.64 116.62 3cdk n GLU 62 Ca 0.00 0.09 -0.21 0.00 -0.01 0.00 0.00 57.16 57.02 3cdk n GLU 62 Cb 0.23 -2.22 -0.17 0.00 -1.01 0.00 0.00 31.44 28.27 3cdk n GLU 62 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3cdk s ASP 63 N -2.03 1.27 0.44 1.62 2.15 -1.26 -5.03 116.67 113.83 3cdk s ASP 63 Ca 0.68 -0.03 0.22 0.00 0.43 0.00 0.00 52.55 53.85 3cdk s ASP 63 Cb -0.28 -0.33 1.20 0.00 -0.30 0.00 0.00 42.92 43.21 3cdk s ASP 63 CO 0.56 -0.19 1.83 0.00 -0.17 0.00 0.00 175.17 177.20 3cdk h ALA 64 N 8.15 2.41 0.00 3.66 0.00 -2.00 -0.03 119.26 131.46 3cdk h ALA 64 Ca -0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3cdk h ALA 64 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3cdk h ALA 64 CO 0.27 -0.73 0.00 -0.25 0.00 0.00 0.00 179.25 178.54 3cdk n ASP 65 N -4.47 0.00 -3.89 0.00 8.00 -1.26 -4.66 116.55 110.27 3cdk n ASP 65 Ca 0.22 -0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 3cdk n ASP 65 Cb 0.85 -0.28 -0.15 0.00 -0.02 0.00 0.00 41.12 41.52 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 -2.56 3.34 0.13 0.64 0.20 -0.02 -5.10 118.68 115.30 3cdk s LEU 66 Ca 0.26 -1.76 -0.03 0.00 0.69 0.00 0.00 54.13 53.30 3cdk s LEU 66 Cb 0.18 -1.24 -0.03 0.00 -0.43 0.00 0.00 46.19 44.67 3cdk s LEU 66 CO 0.42 -0.37 0.09 0.27 -0.29 0.00 0.00 176.35 176.47 3cdk s ILE 67 N 1.28 0.11 0.70 6.68 -4.36 -1.26 -2.56 121.20 121.78 3cdk s ILE 67 Ca 0.07 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 3cdk s ILE 67 Cb -0.18 -1.95 0.11 0.00 1.25 0.00 0.00 42.46 41.69 3cdk s ILE 67 CO -0.14 -0.49 0.97 0.54 0.24 0.00 0.00 174.94 176.05 3cdk s ASN 68 N -3.02 4.48 0.60 4.36 2.20 -0.19 -4.87 114.94 118.51 3cdk s ASN 68 Ca 0.21 -0.26 0.36 0.00 -0.94 0.00 0.00 52.86 52.23 3cdk s ASN 68 Cb 0.07 -0.21 1.95 0.00 -2.00 0.00 0.00 41.25 41.06 3cdk s ASN 68 CO 0.00 -1.76 2.24 0.00 -2.94 0.00 0.00 177.10 174.64 3cdk h ALA 69 N -0.46 1.20 -0.06 3.54 0.00 -1.94 -0.44 119.26 121.10 3cdk h ALA 69 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3cdk h ALA 69 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3cdk h ALA 69 CO 0.43 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.12 3cdk n GLY 70 N -0.93 -0.51 2.54 0.00 0.00 -1.26 -4.90 105.19 100.13 3cdk n GLY 70 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.37 0.00 -2.59 1.61 4.01 -0.17 -5.02 118.16 115.62 3cdk n LYS 71 Ca 0.15 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.54 3cdk n LYS 71 Cb 0.17 -2.60 -0.04 0.00 -0.51 0.00 0.00 35.03 32.05 3cdk n LYS 71 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3cdk s GLU 72 N -0.03 4.59 0.23 1.97 2.02 -1.26 -4.79 118.70 121.43 3cdk s GLU 72 Ca 0.00 1.60 -0.31 0.00 0.02 0.00 0.00 54.97 56.28 3cdk s GLU 72 Cb 0.00 -3.35 -0.12 0.00 0.10 0.00 0.00 34.13 30.76 3cdk s GLU 72 CO 0.00 0.03 1.67 -0.08 0.02 0.00 0.00 175.26 176.90 3cdk s THR 73 N 0.28 2.09 0.00 3.63 -1.32 -1.26 -1.02 115.64 118.03 3cdk s THR 73 Ca 0.51 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 3cdk s THR 73 Cb -0.26 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 3cdk s THR 73 CO 0.31 0.01 0.00 2.30 -2.21 0.00 0.00 174.62 175.03 3cdk n ILE 74 N 3.42 0.00 -4.13 5.08 -5.35 -1.06 -4.56 119.36 112.77 3cdk n ILE 74 Ca 0.13 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.46 3cdk n ILE 74 Cb 0.36 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.14 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 -1.61 0.60 0.17 7.28 2.01 -1.01 -4.41 115.64 118.66 3cdk s THR 75 Ca 0.00 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 3cdk s THR 75 Cb 0.00 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3cdk s THR 75 CO 0.00 -0.20 0.40 -1.83 -0.69 0.00 0.00 174.62 172.30 3cdk s GLU 76 N -1.16 3.62 0.32 4.92 -1.05 -1.26 0.17 118.70 124.26 3cdk s GLU 76 Ca -0.05 -0.09 0.04 0.00 -0.15 0.00 0.00 54.97 54.71 3cdk s GLU 76 Cb -0.08 -2.82 0.06 0.00 -0.44 0.00 0.00 34.13 30.85 3cdk s GLU 76 CO 0.00 0.43 0.45 1.33 0.95 0.00 0.00 175.26 178.42 3cdk n VAL 77 N -0.10 0.00 -2.02 1.83 0.24 -0.12 -4.69 118.33 113.47 3cdk n VAL 77 Ca -0.02 -0.95 -0.42 0.00 -2.04 0.00 0.00 64.34 60.90 3cdk n VAL 77 Cb 0.52 -0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 32.00 3cdk n VAL 77 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3cdk s THR 78 N -1.05 2.84 -1.36 3.34 2.01 -1.26 -2.79 115.64 117.36 3cdk s THR 78 Ca 0.33 0.61 -0.06 0.00 0.31 0.00 0.00 61.69 62.88 3cdk s THR 78 Cb -0.02 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.10 3cdk s THR 78 CO 0.21 0.05 0.73 0.61 -0.69 0.00 0.00 174.62 175.53 3cdk n GLY 79 N 3.51 -0.41 3.78 4.40 0.00 -1.26 -5.01 105.19 110.19 3cdk n GLY 79 Ca 0.12 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3cdk n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdk s ALA 80 N -3.18 1.70 0.02 4.61 0.00 -1.12 -4.99 121.76 118.81 3cdk s ALA 80 Ca 0.36 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 3cdk s ALA 80 Cb -0.16 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3cdk s ALA 80 CO 0.45 -2.34 0.08 -1.54 0.00 0.00 0.00 175.76 172.41 3cdk s SER 81 N -3.99 0.14 0.05 0.00 1.04 -0.25 -5.01 113.70 105.68 3cdk s SER 81 Ca 0.64 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.71 3cdk s SER 81 Cb -0.15 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3cdk s SER 81 CO 0.54 -0.42 -0.15 -0.31 0.98 0.00 0.00 173.24 173.88 3cdk s TYR 82 N -1.97 2.64 0.31 5.02 2.02 -1.26 -0.48 117.35 123.63 3cdk s TYR 82 Ca -0.10 -0.21 -0.14 0.00 -0.37 0.00 0.00 57.07 56.25 3cdk s TYR 82 Cb -0.05 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 3cdk s TYR 82 CO -0.02 0.30 0.62 -0.59 -1.57 0.00 0.00 175.55 174.30 3cdk s PHE 83 N -0.99 0.29 0.50 2.71 -0.71 -0.54 -4.99 117.98 114.25 3cdk s PHE 83 Ca 0.16 -0.74 0.05 0.00 -1.04 0.00 0.00 56.93 55.36 3cdk s PHE 83 Cb -0.11 0.45 0.03 0.00 -1.21 0.00 0.00 43.02 42.19 3cdk s PHE 83 CO 0.07 -1.24 0.70 0.16 -1.34 0.00 0.00 175.22 173.56 3cdk s ASP 84 N -3.05 5.38 0.13 1.98 -4.77 -1.26 -4.38 116.67 110.70 3cdk s ASP 84 Ca 0.19 -0.27 -0.19 0.00 -3.30 0.00 0.00 52.55 48.98 3cdk s ASP 84 Cb -0.03 -0.65 -0.03 0.00 -1.09 0.00 0.00 42.92 41.12 3cdk s ASP 84 CO 0.11 -1.03 1.73 0.28 0.70 0.00 0.00 175.17 176.96 3cdk h SER 85 N 0.29 -0.01 -0.76 2.11 0.02 -1.89 -0.74 113.55 112.56 3cdk h SER 85 Ca -0.40 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 60.70 3cdk h SER 85 Cb 1.29 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.80 3cdk h SER 85 CO 0.48 0.02 0.37 0.00 -1.14 0.00 0.00 176.83 176.55 3cdk h ALA 86 N 1.15 1.08 -0.77 3.77 0.00 -1.96 -2.01 119.26 120.53 3cdk h ALA 86 Ca 0.09 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3cdk h ALA 86 Cb 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3cdk h ALA 86 CO -0.13 -0.09 0.27 0.93 0.00 0.00 0.00 179.25 180.23 3cdk h GLU 87 N 0.58 1.17 -0.44 0.00 3.07 -1.73 -1.65 114.58 115.57 3cdk h GLU 87 Ca 0.40 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3cdk h GLU 87 Cb 0.50 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 3cdk h GLU 87 CO -0.32 0.97 0.27 1.03 -1.40 0.00 0.00 179.01 179.55 3cdk h SER 88 N 1.12 0.52 0.66 1.42 0.87 -0.51 -0.59 113.55 117.04 3cdk h SER 88 Ca 0.25 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3cdk h SER 88 Cb 0.26 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3cdk h SER 88 CO -0.01 0.40 -1.06 0.49 -0.53 0.00 0.00 176.83 176.11 3cdk n PHE 89 N -4.45 0.54 0.08 2.24 3.72 -0.82 -2.31 117.46 116.47 3cdk n PHE 89 Ca 0.04 0.16 -0.13 0.00 -0.05 0.00 0.00 57.45 57.46 3cdk n PHE 89 Cb 0.07 -0.67 -0.08 0.00 -0.94 0.00 0.00 39.48 37.87 3cdk n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cdk h ALA 90 N 2.28 -0.13 -0.49 4.37 0.00 -0.71 0.86 119.26 125.45 3cdk h ALA 90 Ca 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3cdk h ALA 90 Cb 0.86 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3cdk h ALA 90 CO 0.00 -0.53 0.08 0.52 0.00 0.00 0.00 179.25 179.32 3cdk h MET 91 N -0.21 0.20 0.24 0.00 2.86 -1.10 0.69 114.93 117.61 3cdk h MET 91 Ca -0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3cdk h MET 91 Cb 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3cdk h MET 91 CO 0.02 0.13 -0.11 0.82 1.06 0.00 0.00 176.91 178.83 3cdk h ILE 92 N 0.20 0.68 -0.45 -1.22 2.04 -1.33 -1.67 117.51 115.76 3cdk h ILE 92 Ca 0.24 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 3cdk h ILE 92 Cb 0.34 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3cdk h ILE 92 CO -0.34 0.16 0.00 -0.09 0.00 0.00 0.00 178.15 177.88 3cdk h ARG 93 N -0.88 0.74 0.00 2.37 2.43 0.78 -2.47 114.38 117.34 3cdk h ARG 93 Ca -0.03 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3cdk h ARG 93 Cb 0.51 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3cdk h ARG 93 CO 0.05 0.75 0.00 0.41 -1.51 0.00 0.00 179.97 179.67 3cdk n GLY 94 N -0.69 -0.90 1.01 2.80 0.00 0.23 -4.70 105.19 102.95 3cdk n GLY 94 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.77 0.73 0.11 -0.02 0.00 -0.93 -4.93 105.19 100.93 3cdk n GLY 95 Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.09 1.61 3.86 -1.52 -3.43 115.15 112.58 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 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3cdk h HIS 96 CO 0.00 0.72 1.11 0.42 0.86 0.00 0.00 177.93 181.03 3cdk s ILE 97 N -3.20 3.82 0.24 2.45 -1.09 -1.23 -4.87 121.20 117.33 3cdk s ILE 97 Ca 0.00 0.86 -0.05 0.00 -2.23 0.00 0.00 60.65 59.23 3cdk s ILE 97 Cb 0.11 -4.03 0.20 0.00 -1.58 0.00 0.00 42.46 37.16 3cdk s ILE 97 CO 0.77 -0.61 1.76 0.44 -1.23 0.00 0.00 174.94 176.07 3cdk h ASP 98 N 10.99 0.40 -3.54 3.58 3.32 -1.67 -2.73 116.42 126.77 3cdk h ASP 98 Ca -0.29 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 3cdk h ASP 98 Cb 1.12 0.02 -0.24 0.00 0.22 0.00 0.00 39.33 40.46 3cdk h ASP 98 CO 1.06 0.20 -0.13 -0.22 -1.72 0.00 0.00 179.24 178.43 3cdk s LEU 99 N -10.37 -0.23 -0.07 1.55 2.96 -1.19 -2.72 118.68 108.60 3cdk s LEU 99 Ca -0.12 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.94 3cdk s LEU 99 Cb 0.19 1.80 -0.00 0.00 0.50 0.00 0.00 46.19 48.68 3cdk s LEU 99 CO 0.76 -0.20 -0.23 0.00 -1.32 0.00 0.00 176.35 175.37 3cdk s ALA 100 N 0.87 2.01 -0.14 5.97 0.00 0.04 -0.63 121.76 129.89 3cdk s ALA 100 Ca -0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 3cdk s ALA 100 Cb -0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3cdk s ALA 100 CO -0.07 0.33 -0.08 0.42 0.00 0.00 0.00 175.76 176.36 3cdk s ILE 101 N 0.12 3.51 0.09 0.00 1.01 -0.26 -1.08 121.20 124.58 3cdk s ILE 101 Ca -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3cdk s ILE 101 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3cdk s ILE 101 CO 0.06 0.51 -0.04 -0.76 0.00 0.00 0.00 174.94 174.71 3cdk s LEU 102 N 0.28 2.43 0.00 2.97 1.02 0.60 -0.70 118.68 125.28 3cdk s LEU 102 Ca -0.06 -1.03 -0.07 0.00 0.02 0.00 0.00 54.13 52.99 3cdk s LEU 102 Cb -0.15 0.06 0.18 0.00 0.02 0.00 0.00 46.19 46.30 3cdk s LEU 102 CO 0.04 -0.54 1.12 0.61 0.02 0.00 0.00 176.35 177.60 3cdk n GLY 103 N -0.00 -0.23 3.55 -3.19 0.00 -1.26 -0.85 105.19 103.21 3cdk n GLY 103 Ca -0.12 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 3cdk n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cdk s GLY 104 N -5.40 -0.44 0.11 -0.02 0.00 -1.26 -4.76 107.32 95.56 3cdk s GLY 104 Ca 0.69 1.70 0.20 0.00 0.00 0.00 0.00 44.72 47.31 3cdk s GLY 104 CO 0.47 1.07 0.88 1.03 0.00 0.00 0.00 173.10 176.55 3cdk n MET 105 N 1.00 0.62 -3.53 2.90 2.81 0.53 -4.79 117.12 116.66 3cdk n MET 105 Ca -0.15 0.14 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 3cdk n MET 105 Cb 0.57 -1.79 -0.06 0.00 -0.71 0.00 0.00 33.22 31.23 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 -3.15 1.04 -0.05 0.03 2.02 -0.98 -4.81 118.70 112.80 3cdk s GLU 106 Ca -0.02 0.31 0.03 0.00 0.02 0.00 0.00 54.97 55.30 3cdk s GLU 106 Cb 0.09 0.49 0.01 0.00 0.10 0.00 0.00 34.13 34.82 3cdk s GLU 106 CO 0.81 -0.31 -0.12 0.08 0.02 0.00 0.00 175.26 175.74 3cdk s VAL 107 N -1.08 1.10 0.98 2.63 1.01 -1.00 -2.02 120.40 122.01 3cdk s VAL 107 Ca -0.10 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3cdk s VAL 107 Cb -0.00 -0.99 0.23 0.00 0.00 0.00 0.00 36.38 35.61 3cdk s VAL 107 CO 0.09 0.34 1.22 -1.54 0.00 0.00 0.00 175.10 175.22 3cdk n SER 108 N 3.63 -0.31 0.05 3.32 3.41 0.24 -0.78 113.62 123.17 3cdk n SER 108 Ca -0.21 -1.40 -0.08 0.00 -0.26 0.00 0.00 58.87 56.92 3cdk n SER 108 Cb 0.52 -0.97 0.07 0.00 -0.26 0.00 0.00 64.21 63.57 3cdk n SER 108 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3cdk h GLU 109 N 0.00 0.39 -0.02 4.33 4.81 -1.31 -2.67 114.58 120.11 3cdk h GLU 109 Ca -0.41 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3cdk h GLU 109 Cb 1.14 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3cdk h GLU 109 CO 0.28 0.90 0.00 1.04 -0.73 0.00 0.00 179.01 180.50 3cdk n GLN 110 N -3.88 1.06 -2.67 1.92 6.02 -1.26 -4.09 117.38 114.47 3cdk n GLN 110 Ca -0.03 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 56.80 3cdk n GLN 110 Cb 0.65 -1.24 0.03 0.00 1.02 0.00 0.00 30.24 30.70 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 0.76 0.29 3.81 1.08 0.00 -1.01 -4.31 105.19 105.82 3cdk n GLY 111 Ca 0.11 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.31 7.06 -0.05 1.61 1.01 -1.26 -0.97 116.67 120.75 3cdk s ASP 112 Ca 0.09 1.54 0.05 0.00 0.71 0.00 0.00 52.55 54.95 3cdk s ASP 112 Cb -0.04 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 3cdk s ASP 112 CO 0.25 -0.10 -0.20 -0.22 0.21 0.00 0.00 175.17 175.10 3cdk s LEU 113 N -2.39 2.37 -0.18 1.23 2.96 0.30 -0.59 118.68 122.37 3cdk s LEU 113 Ca 0.50 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3cdk s LEU 113 Cb -0.15 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.12 3cdk s LEU 113 CO 0.20 0.29 -0.18 0.00 -1.32 0.00 0.00 176.35 175.34 3cdk s ALA 114 N -0.44 2.23 0.00 5.97 0.00 -0.86 0.84 121.76 129.50 3cdk s ALA 114 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3cdk s ALA 114 Cb -0.12 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3cdk s ALA 114 CO 0.01 -0.43 0.62 0.27 0.00 0.00 0.00 175.76 176.23 3cdk n ASN 115 N 4.64 0.00 -0.00 0.00 0.23 -1.26 -0.35 115.26 118.52 3cdk n ASN 115 Ca -0.19 -1.33 0.04 0.00 -0.53 0.00 0.00 54.58 52.56 3cdk n ASN 115 Cb 0.49 -0.07 -0.05 0.00 -2.08 0.00 0.00 39.78 38.08 3cdk n ASN 115 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 3cdk n TRP 116 N 0.00 0.00 -3.54 -2.53 4.27 -1.26 -4.81 117.44 109.57 3cdk n TRP 116 Ca 0.00 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.44 3cdk n TRP 116 Cb 0.57 -0.13 -0.06 0.00 -1.36 0.00 0.00 31.31 30.33 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 -2.31 1.02 -0.24 -2.67 0.00 -1.26 -3.05 119.30 110.79 3cdk s MET 117 Ca -0.01 0.39 0.02 0.00 0.00 0.00 0.00 55.69 56.09 3cdk s MET 117 Cb 0.05 0.48 0.05 0.00 0.00 0.00 0.00 34.83 35.41 3cdk s MET 117 CO 0.29 -0.29 -0.11 0.42 0.00 0.00 0.00 175.02 175.33 3cdk s ILE 118 N -0.90 2.03 0.02 10.11 1.01 -0.44 -4.34 121.20 128.69 3cdk s ILE 118 Ca -0.09 -1.45 -0.39 0.00 0.00 0.00 0.00 60.65 58.72 3cdk s ILE 118 Cb -0.01 -2.12 -0.19 0.00 0.01 0.00 0.00 42.46 40.15 3cdk s ILE 118 CO 0.08 0.04 1.12 -2.65 0.00 0.00 0.00 174.94 173.54 3cdk n PRO 119 N 4.50 0.27 -1.78 2.79 -0.02 -1.26 -3.14 135.00 136.37 3cdk n PRO 119 Ca -0.15 0.10 -0.11 0.00 -2.02 0.00 0.00 63.50 61.32 3cdk n PRO 119 Cb 0.44 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3cdk n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cdk n GLY 120 N 1.74 0.56 0.00 -1.23 0.00 -1.26 -5.11 105.19 99.89 3cdk n GLY 120 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3cdk n GLY 120 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3cdk n MET 122 N -2.37 0.00 -3.47 1.61 0.00 -1.19 -5.22 117.12 106.49 3cdk n MET 122 Ca -0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.31 3cdk n MET 122 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.61 3cdk n MET 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3cdk n VAL 123 N 0.17 -0.43 0.01 1.12 0.31 -1.26 -1.33 118.33 116.92 3cdk n VAL 123 Ca 0.00 -3.86 -0.12 0.00 -0.01 0.00 0.00 64.34 60.35 3cdk n VAL 123 Cb 0.00 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.04 3cdk n VAL 123 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3cdk h LYS 124 N 5.31 0.04 0.00 5.55 1.79 -1.99 -3.50 116.57 123.77 3cdk h LYS 124 Ca 0.22 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3cdk h LYS 124 Cb 0.86 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 3cdk h LYS 124 CO 0.47 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 3cdk n GLY 125 N -0.59 2.58 0.12 3.86 0.00 -1.17 -4.91 105.19 105.08 3cdk n GLY 125 Ca -0.07 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 3cdk n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdk h MET 126 N 0.00 0.04 0.00 1.61 -0.00 -1.96 -3.46 114.93 111.16 3cdk h MET 126 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 3cdk h MET 126 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 3cdk h MET 126 CO 0.00 0.77 0.00 0.41 -0.00 0.00 0.00 176.91 178.09 3cdk n GLY 127 N 0.61 2.95 0.05 -3.00 0.00 -1.26 -2.04 105.19 102.49 3cdk n GLY 127 Ca -0.01 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.19 0.24 -0.02 0.00 -1.26 -4.47 105.19 98.49 3cdk n GLY 128 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 3.32 0.33 -0.88 4.61 0.00 -1.81 -1.22 119.26 123.61 3cdk h ALA 129 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3cdk h ALA 129 Cb 0.41 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3cdk h ALA 129 CO 0.00 -0.46 0.59 0.52 0.00 0.00 0.00 179.25 179.90 3cdk h MET 130 N -0.02 1.16 -0.19 0.00 2.86 -1.78 0.12 114.93 117.08 3cdk h MET 130 Ca 0.27 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 3cdk h MET 130 Cb 0.43 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3cdk h MET 130 CO -0.59 0.77 -0.25 -0.44 1.06 0.00 0.00 176.91 177.46 3cdk h ASP 131 N 1.20 0.55 0.30 1.22 3.32 -1.70 -2.84 116.42 118.46 3cdk h ASP 131 Ca 0.32 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3cdk h ASP 131 Cb -0.14 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3cdk h ASP 131 CO -0.07 0.94 -0.31 -0.07 -1.72 0.00 0.00 179.24 178.02 3cdk h LEU 132 N 0.16 -0.83 -2.17 1.55 4.07 -0.84 0.06 115.31 117.32 3cdk h LEU 132 Ca 0.02 0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.10 3cdk h LEU 132 Cb 0.81 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 3cdk h LEU 132 CO 0.06 -0.44 0.13 0.58 -1.08 0.00 0.00 178.44 177.70 3cdk h VAL 133 N -0.64 0.68 0.00 1.22 2.07 -0.82 -0.29 116.25 118.47 3cdk h VAL 133 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3cdk h VAL 133 Cb 0.59 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3cdk h VAL 133 CO -0.06 0.00 -1.24 0.59 0.02 0.00 0.00 177.57 176.87 3cdk n ASN 134 N -4.13 0.74 -0.02 0.57 3.02 -1.01 -4.68 115.26 109.76 3cdk n ASN 134 Ca 0.01 -0.74 -0.02 0.00 -0.03 0.00 0.00 54.58 53.80 3cdk n ASN 134 Cb 0.26 1.24 -0.03 0.00 -0.61 0.00 0.00 39.78 40.63 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 1.44 -0.21 3.77 7.41 0.00 -0.02 -4.99 105.19 112.58 3cdk n GLY 135 Ca 0.02 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.11 3.26 -0.20 4.61 0.00 -0.18 -3.75 121.76 123.39 3cdk s ALA 136 Ca -0.02 1.27 0.17 0.00 0.00 0.00 0.00 51.96 53.38 3cdk s ALA 136 Cb 0.01 -3.50 0.15 0.00 0.00 0.00 0.00 23.12 19.78 3cdk s ALA 136 CO 0.18 -0.88 1.49 1.57 0.00 0.00 0.00 175.76 178.12 3cdk h LYS 137 N 2.62 0.00 -4.37 0.00 2.10 -1.60 -3.43 116.57 111.90 3cdk h LYS 137 Ca -0.50 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.60 3cdk h LYS 137 Cb 1.25 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 32.21 3cdk h LYS 137 CO 0.62 0.39 -0.81 0.50 -2.00 0.00 0.00 179.45 178.15 3cdk s ARG 138 N -3.03 1.78 -0.26 0.07 6.06 -1.10 -5.02 118.95 117.43 3cdk s ARG 138 Ca 0.04 -0.36 -0.04 0.00 -2.50 0.00 0.00 55.73 52.88 3cdk s ARG 138 Cb 0.07 -1.76 0.01 0.00 0.06 0.00 0.00 34.95 33.33 3cdk s ARG 138 CO 0.73 -0.26 0.00 0.42 -2.50 0.00 0.00 175.30 173.69 3cdk s ILE 139 N 1.64 3.42 -0.14 4.11 -1.09 -1.26 -0.78 121.20 127.10 3cdk s ILE 139 Ca 0.05 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 3cdk s ILE 139 Cb -0.13 -2.72 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 3cdk s ILE 139 CO -0.09 0.19 -0.16 -0.69 -1.23 0.00 0.00 174.94 172.95 3cdk s VAL 140 N 1.42 1.67 -0.22 2.92 1.01 -0.24 -1.75 120.40 125.21 3cdk s VAL 140 Ca 0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3cdk s VAL 140 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3cdk s VAL 140 CO -0.01 0.47 0.10 -0.69 0.00 0.00 0.00 175.10 174.97 3cdk s VAL 141 N 1.20 4.85 -0.19 2.92 1.01 -0.76 -0.29 120.40 129.15 3cdk s VAL 141 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 3cdk s VAL 141 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3cdk s VAL 141 CO -0.07 0.38 -0.05 0.27 0.00 0.00 0.00 175.10 175.63 3cdk s ILE 142 N 0.97 3.48 -0.17 2.22 -0.00 -0.03 -0.43 121.20 127.23 3cdk s ILE 142 Ca 0.05 -0.48 -0.23 0.00 -0.00 0.00 0.00 60.65 59.99 3cdk s ILE 142 Cb -0.14 -2.54 0.06 0.00 -0.00 0.00 0.00 42.46 39.84 3cdk s ILE 142 CO 0.03 0.46 0.60 -0.32 -0.00 0.00 0.00 174.94 175.71 3cdk s MET 143 N 0.97 0.79 0.50 0.37 1.75 -0.87 -4.09 119.30 118.71 3cdk s MET 143 Ca -0.00 0.62 -0.24 0.00 -1.25 0.00 0.00 55.69 54.83 3cdk s MET 143 Cb -0.15 0.38 -0.07 0.00 2.84 0.00 0.00 34.83 37.84 3cdk s MET 143 CO 0.01 -0.15 1.39 -1.21 -0.65 0.00 0.00 175.02 174.41 3cdk s GLU 144 N -0.17 3.43 0.15 4.11 2.02 -1.26 -4.14 118.70 122.84 3cdk s GLU 144 Ca -0.04 2.33 -0.02 0.00 0.02 0.00 0.00 54.97 57.26 3cdk s GLU 144 Cb -0.03 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 3cdk s GLU 144 CO 0.03 -0.99 1.37 1.25 0.02 0.00 0.00 175.26 176.94 3cdk h HIS 145 N 1.92 0.55 -3.09 1.61 -0.00 -1.94 -3.46 115.15 110.73 3cdk h HIS 145 Ca -0.51 -0.28 -0.40 0.00 -0.00 0.00 0.00 60.37 59.18 3cdk h HIS 145 Cb 1.28 -0.07 -0.14 0.00 -0.00 0.00 0.00 27.41 28.48 3cdk h HIS 145 CO 0.48 1.07 -0.70 0.08 -0.00 0.00 0.00 177.93 178.85 3cdk s VAL 146 N -3.41 1.40 -0.04 5.26 1.01 -1.26 -1.42 120.40 121.94 3cdk s VAL 146 Ca -0.05 -2.12 -0.24 0.00 0.00 0.00 0.00 61.98 59.57 3cdk s VAL 146 Cb 0.10 -2.10 -0.24 0.00 0.00 0.00 0.00 36.38 34.14 3cdk s VAL 146 CO 0.85 -0.55 1.03 -0.55 0.00 0.00 0.00 175.10 175.88 3cdk h ASN 147 N 2.57 0.27 -4.30 3.32 7.08 -1.97 -3.45 115.58 119.10 3cdk h ASN 147 Ca -0.38 -0.78 -0.50 0.00 -3.08 0.00 0.00 56.30 51.56 3cdk h ASN 147 Cb 1.21 -0.08 0.04 0.00 -2.08 0.00 0.00 38.32 37.42 3cdk h ASN 147 CO 0.64 1.02 0.40 -0.55 -2.08 0.00 0.00 177.43 176.86 3cdk s SER 152 N -6.39 6.37 0.00 6.14 0.15 -1.26 -5.26 113.70 113.45 3cdk s SER 152 Ca -0.15 1.47 0.00 0.00 0.70 0.00 0.00 55.95 57.97 3cdk s SER 152 Cb 0.01 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3cdk s SER 152 CO 0.75 -0.77 0.10 0.29 1.20 0.00 0.00 173.24 174.81 3cdk n LYS 153 N -2.35 3.61 -3.31 5.44 5.02 -0.51 -4.92 118.16 121.14 3cdk n LYS 153 Ca 0.06 -0.10 -0.46 0.00 -2.02 0.00 0.00 58.31 55.79 3cdk n LYS 153 Cb 0.54 -0.51 -0.04 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.54 5.37 0.19 -0.18 1.01 -1.24 -2.36 120.40 122.65 3cdk s VAL 154 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.09 3cdk s VAL 154 Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3cdk s VAL 154 CO 0.00 -0.94 0.37 -0.54 0.00 0.00 0.00 175.10 173.99 3cdk s LYS 155 N 1.02 3.50 0.06 2.72 -0.14 0.04 0.19 119.74 127.12 3cdk s LYS 155 Ca 0.09 -0.41 -0.15 0.00 -1.36 0.00 0.00 55.97 54.14 3cdk s LYS 155 Cb -0.22 -2.87 -0.26 0.00 -1.68 0.00 0.00 37.83 32.81 3cdk s LYS 155 CO -0.02 0.42 1.14 0.87 -0.76 0.00 0.00 175.35 177.00 3cdk h LYS 156 N 1.99 0.64 -4.14 1.68 1.57 -1.84 -1.68 116.57 114.78 3cdk h LYS 156 Ca -0.48 -0.76 -0.30 0.00 -1.87 0.00 0.00 60.65 57.24 3cdk h LYS 156 Cb 1.19 0.23 -0.28 0.00 0.08 0.00 0.00 32.23 33.45 3cdk h LYS 156 CO 0.68 1.33 -0.74 -0.08 -0.57 0.00 0.00 179.45 180.06 3cdk s THR 157 N -3.15 0.29 0.62 -0.16 -1.32 -1.26 -3.38 115.64 107.28 3cdk s THR 157 Ca -0.10 -0.16 -0.17 0.00 -1.21 0.00 0.00 61.69 60.05 3cdk s THR 157 Cb 0.06 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.78 3cdk s THR 157 CO 0.92 0.08 1.14 0.00 -2.21 0.00 0.00 174.62 174.55 3cdk n SER 159 N -2.00 1.28 -4.74 0.00 3.41 -1.26 -5.03 113.62 105.28 3cdk n SER 159 Ca 0.11 0.17 -0.36 0.00 -0.26 0.00 0.00 58.87 58.53 3cdk n SER 159 Cb 0.51 -0.44 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 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 -6.75 3.52 0.25 1.04 1.43 -1.26 -4.92 118.68 111.99 3cdk s LEU 160 Ca -0.22 2.42 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 3cdk s LEU 160 Cb 0.08 -4.60 -0.14 0.00 0.03 0.00 0.00 46.19 41.57 3cdk s LEU 160 CO 0.28 -1.91 1.32 -2.65 0.23 0.00 0.00 176.35 173.62 3cdk n PRO 161 N -2.06 1.87 -2.35 1.29 -0.02 -1.26 -4.85 135.00 127.62 3cdk n PRO 161 Ca 0.14 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3cdk n PRO 161 Cb 0.50 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.02 4.46 0.04 2.45 1.43 -1.26 -4.50 118.68 121.32 3cdk s LEU 162 Ca 0.66 2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.92 3cdk s LEU 162 Cb -0.67 -3.61 -0.34 0.00 0.03 0.00 0.00 46.19 41.60 3cdk s LEU 162 CO 0.53 -0.37 1.03 0.74 0.23 0.00 0.00 176.35 178.51 3cdk h THR 163 N 3.63 1.34 -2.10 5.49 2.02 0.10 -3.48 112.91 119.90 3cdk h THR 163 Ca -0.45 -2.80 -0.01 0.00 0.77 0.00 0.00 66.41 63.91 3cdk h THR 163 Cb 1.21 3.02 -0.18 0.00 -1.74 0.00 0.00 68.15 70.46 3cdk h THR 163 CO 0.73 0.83 0.28 -0.83 0.37 0.00 0.00 175.52 176.91 3cdk s GLY 164 N -4.63 -0.52 -0.21 2.16 0.00 -0.85 -4.58 107.32 98.70 3cdk s GLY 164 Ca -0.08 1.30 0.02 0.00 0.00 0.00 0.00 44.72 45.95 3cdk s GLY 164 CO 0.93 0.79 -0.13 1.62 0.00 0.00 0.00 173.10 176.32 3cdk s GLN 165 N -1.74 2.33 -0.99 2.90 0.74 -1.26 -0.54 119.66 121.10 3cdk s GLN 165 Ca -0.06 -0.99 -0.02 0.00 0.05 0.00 0.00 55.36 54.34 3cdk s GLN 165 Cb -0.00 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.51 3cdk s GLN 165 CO 0.03 -0.42 0.83 1.63 -0.55 0.00 0.00 175.29 176.82 3cdk n LYS 166 N 4.59 -5.56 -0.03 1.67 5.02 -1.10 -4.93 118.16 117.83 3cdk n LYS 166 Ca -0.16 0.67 -0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3cdk n LYS 166 Cb 0.46 -5.19 -0.07 0.00 -0.02 0.00 0.00 35.03 30.22 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 -3.75 0.33 -3.05 -0.18 0.24 -0.15 -4.95 118.33 106.81 3cdk n VAL 167 Ca -0.17 -0.29 -0.39 0.00 -2.04 0.00 0.00 64.34 61.45 3cdk n VAL 167 Cb 0.61 -0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 3cdk n VAL 167 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3cdk s VAL 168 N -2.37 4.74 -0.20 3.34 0.11 -1.13 -4.58 120.40 120.31 3cdk s VAL 168 Ca -0.04 1.52 -0.12 0.00 -2.93 0.00 0.00 61.98 60.41 3cdk s VAL 168 Cb 0.04 -4.06 -0.20 0.00 -1.53 0.00 0.00 36.38 30.63 3cdk s VAL 168 CO 0.35 0.40 0.10 1.41 -3.33 0.00 0.00 175.10 174.03 3cdk n HIS 169 N 2.61 0.77 -4.37 1.54 -0.00 -0.72 -4.63 115.22 110.43 3cdk n HIS 169 Ca -0.04 0.24 -0.21 0.00 -0.00 0.00 0.00 57.72 57.71 3cdk n HIS 169 Cb 0.50 -1.09 -0.16 0.00 -0.00 0.00 0.00 29.99 29.24 3cdk n HIS 169 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 3cdk s ARG 170 N -2.48 1.08 -0.11 -0.41 3.52 -1.07 -0.45 118.95 119.02 3cdk s ARG 170 Ca -0.29 -0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 3cdk s ARG 170 Cb 0.08 -0.99 -0.01 0.00 -1.56 0.00 0.00 34.95 32.48 3cdk s ARG 170 CO 0.64 0.04 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.81 3cdk s LEU 171 N 0.50 2.40 0.00 -0.88 2.96 0.18 -1.83 118.68 122.01 3cdk s LEU 171 Ca -0.08 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.46 3cdk s LEU 171 Cb -0.12 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3cdk s LEU 171 CO 0.01 0.17 -0.24 -0.51 -1.32 0.00 0.00 176.35 174.46 3cdk s ILE 172 N 0.33 2.28 0.30 6.68 -1.16 0.43 -0.41 121.20 129.64 3cdk s ILE 172 Ca -0.15 -1.15 0.02 0.00 -0.51 0.00 0.00 60.65 58.87 3cdk s ILE 172 Cb -0.17 -1.85 -0.04 0.00 0.61 0.00 0.00 42.46 41.01 3cdk s ILE 172 CO 0.07 0.50 0.12 0.42 -2.81 0.00 0.00 174.94 173.24 3cdk s THR 173 N -0.71 0.53 0.36 4.00 -4.23 -0.36 -2.05 115.64 113.17 3cdk s THR 173 Ca 0.11 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.81 3cdk s THR 173 Cb -0.10 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.51 3cdk s THR 173 CO 0.01 0.00 1.62 -2.24 -0.54 0.00 0.00 174.62 173.46 3cdk h ASP 174 N 2.23 0.41 0.00 3.99 -0.00 -1.81 -3.22 116.42 118.02 3cdk h ASP 174 Ca -0.36 0.22 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 3cdk h ASP 174 Cb 1.25 0.21 0.00 0.00 -0.00 0.00 0.00 39.33 40.79 3cdk h ASP 174 CO 0.58 -0.30 0.00 -0.11 -0.00 0.00 0.00 179.24 179.41 3cdk n LEU 175 N -5.15 0.29 0.00 0.15 7.94 -1.26 -4.94 117.00 114.02 3cdk n LEU 175 Ca 0.35 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 3cdk n LEU 175 Cb 1.16 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.66 3cdk n LEU 175 CO 0.06 -0.45 0.00 0.00 -1.11 0.00 0.00 177.39 175.88 3cdk n ALA 176 N -1.86 0.00 -3.33 1.96 0.00 -1.22 -4.74 120.51 111.33 3cdk n ALA 176 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3cdk n ALA 176 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3cdk n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cdk s VAL 177 N -2.16 1.71 0.02 0.00 1.01 -0.83 -1.23 120.40 118.93 3cdk s VAL 177 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3cdk s VAL 177 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3cdk s VAL 177 CO 0.00 0.48 -0.22 -0.36 0.00 0.00 0.00 175.10 175.00 3cdk s PHE 178 N 0.49 1.98 0.04 5.22 0.08 0.45 -1.70 117.98 124.53 3cdk s PHE 178 Ca -0.17 -0.38 0.06 0.00 0.12 0.00 0.00 56.93 56.56 3cdk s PHE 178 Cb -0.17 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3cdk s PHE 178 CO 0.06 0.06 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.56 3cdk s ASP 179 N -0.97 2.03 -0.09 1.36 1.01 -1.00 -0.65 116.67 118.37 3cdk s ASP 179 Ca 0.09 -0.46 0.04 0.00 0.71 0.00 0.00 52.55 52.93 3cdk s ASP 179 Cb -0.09 -0.16 -0.00 0.00 1.01 0.00 0.00 42.92 43.68 3cdk s ASP 179 CO 0.01 0.11 -0.24 -0.36 0.21 0.00 0.00 175.17 174.90 3cdk s PHE 180 N -0.77 2.51 -0.22 4.23 0.40 0.40 -1.29 117.98 123.23 3cdk s PHE 180 Ca 0.05 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.40 3cdk s PHE 180 Cb -0.08 -1.67 0.07 0.00 0.51 0.00 0.00 43.02 41.85 3cdk s PHE 180 CO 0.01 -0.37 0.03 0.08 0.70 0.00 0.00 175.22 175.67 3cdk s VAL 181 N 0.22 0.82 -1.43 -0.44 1.01 -1.04 -4.83 120.40 114.72 3cdk s VAL 181 Ca -0.15 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 3cdk s VAL 181 Cb -0.17 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.92 3cdk s VAL 181 CO 0.08 -0.27 1.05 0.59 0.00 0.00 0.00 175.10 176.55 3cdk n ASN 182 N 4.92 -5.92 0.00 3.32 3.02 -1.26 -3.55 115.26 115.80 3cdk n ASN 182 Ca -0.08 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 3cdk n ASN 182 Cb 0.45 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 3cdk n ASN 182 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cdk n GLY 183 N -1.86 0.92 3.07 7.41 0.00 -1.26 -5.09 105.19 108.38 3cdk n GLY 183 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.27 0.56 -0.06 1.61 1.04 -1.23 -4.29 118.95 116.31 3cdk s ARG 184 Ca 0.00 -0.95 0.01 0.00 -1.04 0.00 0.00 55.73 53.74 3cdk s ARG 184 Cb 0.00 -0.06 -0.03 0.00 -2.04 0.00 0.00 34.95 32.82 3cdk s ARG 184 CO 0.00 -0.03 -0.05 1.41 -0.04 0.00 0.00 175.30 176.59 3cdk s MET 185 N -2.58 2.75 0.41 3.89 1.75 -1.26 -2.50 119.30 121.77 3cdk s MET 185 Ca -0.03 -0.56 0.03 0.00 -1.25 0.00 0.00 55.69 53.89 3cdk s MET 185 Cb -0.03 -2.61 -0.03 0.00 2.84 0.00 0.00 34.83 35.00 3cdk s MET 185 CO -0.03 0.66 0.09 0.99 -0.65 0.00 0.00 175.02 176.07 3cdk s THR 186 N -0.86 0.89 -0.29 10.11 2.01 -0.41 -0.61 115.64 126.47 3cdk s THR 186 Ca 0.14 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.15 3cdk s THR 186 Cb -0.11 -2.45 0.09 0.00 0.01 0.00 0.00 72.50 70.04 3cdk s THR 186 CO 0.03 0.00 0.04 -1.48 -0.69 0.00 0.00 174.62 172.51 3cdk s LEU 187 N -3.63 3.07 0.30 4.42 2.34 0.25 -2.37 118.68 123.06 3cdk s LEU 187 Ca 0.24 -1.63 0.26 0.00 0.06 0.00 0.00 54.13 53.06 3cdk s LEU 187 Cb 0.04 -1.18 0.84 0.00 -0.56 0.00 0.00 46.19 45.33 3cdk s LEU 187 CO 0.13 -0.35 1.76 0.74 -1.06 0.00 0.00 176.35 177.57 3cdk h THR 188 N 6.58 0.00 -3.08 5.48 2.02 -1.66 -3.46 112.91 118.78 3cdk h THR 188 Ca -0.12 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 3cdk h THR 188 Cb 1.04 1.42 -0.14 0.00 -1.74 0.00 0.00 68.15 68.73 3cdk h THR 188 CO 0.46 0.00 0.01 -0.70 0.37 0.00 0.00 175.52 175.67 3cdk s GLU 189 N -3.24 1.08 0.00 6.66 2.12 -1.15 -4.98 118.70 119.19 3cdk s GLU 189 Ca 0.07 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.93 3cdk s GLU 189 Cb 0.10 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.98 3cdk s GLU 189 CO 0.55 -0.42 0.00 1.28 -0.54 0.00 0.00 175.26 176.13 3cdk n LEU 190 N 0.02 0.00 -4.66 2.70 4.32 -1.26 -1.96 117.00 116.16 3cdk n LEU 190 Ca -0.17 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.52 3cdk n LEU 190 Cb 0.62 0.00 0.22 0.00 -1.62 0.00 0.00 43.42 42.64 3cdk n LEU 190 CO 0.17 -0.10 0.66 0.42 -1.22 0.00 0.00 177.39 177.32 3cdk s THR 195 N 0.39 1.74 0.07 -5.08 -4.23 -1.26 -4.80 115.64 102.47 3cdk s THR 195 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.18 3cdk s THR 195 Cb 0.00 -2.57 -0.19 0.00 1.34 0.00 0.00 72.50 71.08 3cdk s THR 195 CO 0.00 0.00 1.59 0.16 -0.54 0.00 0.00 174.62 175.83 3cdk h ILE 196 N -2.29 0.32 0.00 2.99 3.07 -2.01 -3.29 117.51 116.31 3cdk h ILE 196 Ca -0.47 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 65.91 3cdk h ILE 196 Cb 1.30 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3cdk h ILE 196 CO 0.40 0.00 0.09 1.21 -1.05 0.00 0.00 178.15 178.81 3cdk n GLU 197 N -5.47 0.13 0.10 0.16 4.07 -1.26 -1.83 120.64 116.53 3cdk n GLU 197 Ca -0.14 0.62 0.13 0.00 -0.06 0.00 0.00 57.16 57.71 3cdk n GLU 197 Cb 0.37 -2.01 0.30 0.00 -0.06 0.00 0.00 31.44 30.04 3cdk n GLU 197 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3cdk h GLU 198 N 0.00 0.00 0.14 5.31 5.08 -2.02 -3.39 114.58 119.70 3cdk h GLU 198 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3cdk h GLU 198 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 3cdk h GLU 198 CO 0.00 0.00 -1.33 0.28 -1.00 0.00 0.00 179.01 176.96 3cdk h VAL 199 N 0.00 1.13 -0.64 3.13 2.07 -1.59 -0.36 116.25 119.99 3cdk h VAL 199 Ca 0.00 -2.46 0.08 0.00 0.82 0.00 0.00 66.70 65.14 3cdk h VAL 199 Cb 0.76 2.84 -0.11 0.00 -1.52 0.00 0.00 31.29 33.27 3cdk h VAL 199 CO 0.00 0.73 -0.50 1.88 0.02 0.00 0.00 177.57 179.70 3cdk h TYR 200 N -0.24 -1.52 -0.80 1.57 -1.99 -1.79 0.34 116.97 112.53 3cdk h TYR 200 Ca -0.27 0.09 0.13 0.00 2.00 0.00 0.00 58.73 60.68 3cdk h TYR 200 Cb 1.80 0.75 -0.09 0.00 2.00 0.00 0.00 36.73 41.19 3cdk h TYR 200 CO 0.14 -0.43 0.39 0.93 -0.00 0.00 0.00 178.16 179.19 3cdk h GLU 201 N -0.22 0.57 0.05 4.88 5.08 -1.73 -3.23 114.58 119.98 3cdk h GLU 201 Ca 0.15 -0.03 -0.30 0.00 -1.00 0.00 0.00 59.36 58.18 3cdk h GLU 201 Cb 0.55 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3cdk h GLU 201 CO -0.73 0.38 -1.67 0.87 -1.00 0.00 0.00 179.01 176.86 3cdk h LYS 202 N 0.59 0.11 -5.88 2.33 1.57 -0.07 -3.45 116.57 111.78 3cdk h LYS 202 Ca 0.43 -0.20 -0.58 0.00 -1.87 0.00 0.00 60.65 58.43 3cdk h LYS 202 Cb 0.59 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 3cdk h LYS 202 CO -0.35 0.83 0.26 0.99 -0.57 0.00 0.00 179.45 180.61 3cdk s THR 203 N -2.60 4.95 0.06 -0.16 2.01 0.11 -4.85 115.64 115.16 3cdk s THR 203 Ca -0.09 1.47 0.28 0.00 0.31 0.00 0.00 61.69 63.66 3cdk s THR 203 Cb 0.08 -4.06 0.31 0.00 0.01 0.00 0.00 72.50 68.83 3cdk s THR 203 CO 0.82 0.09 1.87 -0.08 -0.69 0.00 0.00 174.62 176.63 3cdk h GLU 204 N 7.28 0.00 -7.35 4.92 4.81 -1.35 -3.45 114.58 119.43 3cdk h GLU 204 Ca -0.32 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.41 3cdk h GLU 204 Cb 1.15 0.00 0.06 0.00 0.63 0.00 0.00 28.75 30.59 3cdk h GLU 204 CO 0.80 0.11 0.39 0.00 -0.73 0.00 0.00 179.01 179.58 3cdk s ALA 205 N -3.60 3.08 -0.03 2.92 0.00 0.13 -3.55 121.76 120.71 3cdk s ALA 205 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 3cdk s ALA 205 Cb 0.09 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3cdk s ALA 205 CO 0.60 -0.76 0.09 0.34 0.00 0.00 0.00 175.76 176.03 3cdk s ASP 206 N -4.22 5.81 0.16 0.00 2.15 -1.26 -4.90 116.67 114.41 3cdk s ASP 206 Ca 0.55 0.21 -0.13 0.00 0.43 0.00 0.00 52.55 53.61 3cdk s ASP 206 Cb -0.11 -1.72 0.01 0.00 -0.30 0.00 0.00 42.92 40.81 3cdk s ASP 206 CO 0.53 0.30 0.38 0.72 -0.17 0.00 0.00 175.17 176.93 3cdk s PHE 207 N -1.16 0.08 0.27 -5.34 -0.12 -1.26 -4.57 117.98 105.89 3cdk s PHE 207 Ca 0.21 -0.43 0.04 0.00 -0.05 0.00 0.00 56.93 56.70 3cdk s PHE 207 Cb -0.12 0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.38 3cdk s PHE 207 CO 0.12 -0.77 0.00 0.00 -0.05 0.00 0.00 175.22 174.52 3cdk s ALA 208 N -3.89 2.11 0.16 1.99 0.00 0.22 -4.97 121.76 117.38 3cdk s ALA 208 Ca 0.10 -1.89 -0.19 0.00 0.00 0.00 0.00 51.96 49.98 3cdk s ALA 208 Cb 0.02 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.66 3cdk s ALA 208 CO -0.04 -0.23 0.52 0.54 0.00 0.00 0.00 175.76 176.55 3cdk s VAL 209 N -3.28 0.03 -1.56 0.00 0.11 -1.26 -0.58 120.40 113.86 3cdk s VAL 209 Ca 0.31 -0.38 0.12 0.00 -2.93 0.00 0.00 61.98 59.11 3cdk s VAL 209 Cb 0.06 -1.19 0.10 0.00 -1.53 0.00 0.00 36.38 33.82 3cdk s VAL 209 CO 0.12 -0.14 0.90 -1.54 -3.33 0.00 0.00 175.10 171.11