#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb2 n GLU 2 N 0.00 0.00 -2.27 1.61 2.13 -1.26 -5.11 120.64 115.74 2kb2 n GLU 2 Ca 0.00 -0.19 -0.41 0.00 0.66 0.00 0.00 57.16 57.23 2kb2 n GLU 2 Cb 0.00 -0.22 -0.03 0.00 0.27 0.00 0.00 31.44 31.46 2kb2 n GLU 2 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2kb2 s PHE 3 N 0.00 3.29 0.71 4.31 -0.71 -1.26 -5.03 117.98 119.30 2kb2 s PHE 3 Ca 0.00 1.45 -0.09 0.00 -1.04 0.00 0.00 56.93 57.26 2kb2 s PHE 3 Cb 0.00 -3.52 0.05 0.00 -1.21 0.00 0.00 43.02 38.34 2kb2 s PHE 3 CO 0.00 -1.42 1.05 -1.64 -1.34 0.00 0.00 175.22 171.87 2kb2 s MET 4 N -1.12 2.33 1.29 1.99 -1.94 -1.26 -5.03 119.30 115.56 2kb2 s MET 4 Ca 0.50 -0.03 -0.18 0.00 -1.71 0.00 0.00 55.69 54.27 2kb2 s MET 4 Cb -0.36 -2.11 0.32 0.00 2.01 0.00 0.00 34.83 34.69 2kb2 s MET 4 CO 0.44 -1.22 0.99 -1.17 -0.01 0.00 0.00 175.02 174.05 2kb2 s LEU 5 N -5.31 -0.10 0.05 -0.03 2.96 0.14 -4.42 118.68 111.97 2kb2 s LEU 5 Ca 0.59 1.09 -0.24 0.00 -0.22 0.00 0.00 54.13 55.35 2kb2 s LEU 5 Cb -0.11 -2.76 0.06 0.00 0.50 0.00 0.00 46.19 43.88 2kb2 s LEU 5 CO 0.47 -4.72 0.57 -0.89 -1.32 0.00 0.00 176.35 170.46 2kb2 s THR 6 N -2.45 0.02 -0.35 3.68 2.01 0.16 0.44 115.64 119.15 2kb2 s THR 6 Ca 0.69 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.58 2kb2 s THR 6 Cb -0.18 -0.99 0.11 0.00 0.01 0.00 0.00 72.50 71.45 2kb2 s THR 6 CO 0.60 -0.08 0.09 -0.89 -0.69 0.00 0.00 174.62 173.66 2kb2 s THR 7 N -2.48 1.86 -0.14 -0.82 2.01 0.23 0.11 115.64 116.40 2kb2 s THR 7 Ca -0.05 -2.19 -0.15 0.00 0.31 0.00 0.00 61.69 59.61 2kb2 s THR 7 Cb -0.01 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2kb2 s THR 7 CO -0.02 -0.66 0.36 -0.22 -0.69 0.00 0.00 174.62 173.40 2kb2 s LEU 8 N 0.95 4.27 0.13 4.42 0.20 0.11 -2.05 118.68 126.71 2kb2 s LEU 8 Ca 0.12 0.64 0.09 0.00 0.69 0.00 0.00 54.13 55.66 2kb2 s LEU 8 Cb -0.20 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 2kb2 s LEU 8 CO -0.12 0.07 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.19 2kb2 s ILE 9 N 0.45 1.80 0.28 6.68 1.01 0.62 -0.01 121.20 132.03 2kb2 s ILE 9 Ca 0.20 -1.74 -0.19 0.00 0.00 0.00 0.00 60.65 58.93 2kb2 s ILE 9 Cb -0.14 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.63 2kb2 s ILE 9 CO 0.07 -0.17 0.67 -0.72 0.00 0.00 0.00 174.94 174.78 2kb2 s TYR 10 N -1.57 -0.04 -0.14 3.97 -0.85 -0.88 0.98 117.35 118.82 2kb2 s TYR 10 Ca 0.11 -0.40 -0.09 0.00 -0.52 0.00 0.00 57.07 56.17 2kb2 s TYR 10 Cb -0.08 0.60 0.05 0.00 0.38 0.00 0.00 41.96 42.90 2kb2 s TYR 10 CO 0.06 -1.20 0.35 -0.98 -1.52 0.00 0.00 175.55 172.25 2kb2 s ARG 11 N -3.85 0.35 0.00 -3.49 1.70 -0.64 -1.12 118.95 111.89 2kb2 s ARG 11 Ca 0.14 0.63 0.00 0.00 -0.47 0.00 0.00 55.73 56.03 2kb2 s ARG 11 Cb -0.05 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 2kb2 s ARG 11 CO 0.08 -0.13 0.00 -1.13 -1.08 0.00 0.00 175.30 173.04 2kb2 n SER 12 N 3.85 1.39 0.00 -2.89 3.41 -0.19 -0.77 113.62 118.41 2kb2 n SER 12 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2kb2 n SER 12 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2kb2 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kb2 n GLN 13 N 0.00 1.11 -3.11 4.33 6.02 -1.26 -2.34 117.38 122.13 2kb2 n GLN 13 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kb2 n GLN 13 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2kb2 n GLN 13 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2kb2 n VAL 14 N 0.00 0.00 -3.22 5.09 3.14 0.45 -3.83 118.33 119.97 2kb2 n VAL 14 Ca 0.00 -0.24 -0.46 0.00 -2.96 0.00 0.00 64.34 60.68 2kb2 n VAL 14 Cb 0.00 0.44 -0.03 0.00 -1.06 0.00 0.00 33.84 33.19 2kb2 n VAL 14 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2kb2 s HIS 15 N -2.97 3.44 0.22 1.45 3.76 -1.25 -4.77 115.29 115.17 2kb2 s HIS 15 Ca 0.17 -1.61 0.23 0.00 -0.15 0.00 0.00 55.06 53.70 2kb2 s HIS 15 Cb -0.01 -3.93 1.28 0.00 1.11 0.00 0.00 32.58 31.02 2kb2 s HIS 15 CO 0.02 -1.14 1.68 -1.00 -0.85 0.00 0.00 174.74 173.45 2kb2 h PRO 16 N 8.37 0.00 0.00 8.40 0.13 -1.92 0.21 132.00 147.19 2kb2 h PRO 16 Ca -0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.86 2kb2 h PRO 16 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2kb2 h PRO 16 CO 0.92 0.00 -1.65 -3.47 -0.23 0.00 0.00 178.00 173.56 2kb2 n ASP 17 N -2.45 0.84 -4.76 1.44 2.03 -1.26 -4.94 116.55 107.45 2kb2 n ASP 17 Ca -0.02 0.39 -0.26 0.00 0.52 0.00 0.00 54.79 55.43 2kb2 n ASP 17 Cb 0.24 0.03 0.09 0.00 -0.72 0.00 0.00 41.12 40.76 2kb2 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb2 s ARG 18 N -2.68 1.87 0.95 -0.67 1.70 0.75 -5.10 118.95 115.77 2kb2 s ARG 18 Ca -0.04 -0.41 -0.16 0.00 -0.47 0.00 0.00 55.73 54.65 2kb2 s ARG 18 Cb 0.08 -2.14 0.19 0.00 -0.57 0.00 0.00 34.95 32.51 2kb2 s ARG 18 CO 0.82 -1.46 1.32 -1.25 -1.08 0.00 0.00 175.30 173.65 2kb2 s PRO 19 N -5.34 0.71 0.99 3.89 0.05 -1.26 -4.90 135.00 129.14 2kb2 s PRO 19 Ca 0.63 -0.39 -0.13 0.00 0.05 0.00 0.00 61.00 61.16 2kb2 s PRO 19 Cb -0.09 -1.85 0.09 0.00 0.05 0.00 0.00 34.50 32.70 2kb2 s PRO 19 CO 0.46 -2.37 0.52 -2.30 0.05 0.00 0.00 177.00 173.36 2kb2 n PRO 20 N -3.74 -0.73 -3.38 0.56 -0.02 -1.26 -4.95 135.00 121.48 2kb2 n PRO 20 Ca 0.15 -0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 2kb2 n PRO 20 Cb 0.59 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 2kb2 n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kb2 s VAL 21 N -2.41 4.97 -1.55 -1.45 1.01 -1.26 -4.97 120.40 114.74 2kb2 s VAL 21 Ca 0.59 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 2kb2 s VAL 21 Cb -0.20 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2kb2 s VAL 21 CO 0.65 -0.17 2.81 0.47 0.00 0.00 0.00 175.10 178.86 2kb2 n ASP 22 N -0.45 8.55 0.00 3.32 8.00 -1.26 -4.71 116.55 129.99 2kb2 n ASP 22 Ca -0.00 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.77 2kb2 n ASP 22 Cb 0.53 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb2 n LEU 23 N 3.11 0.00 -0.12 0.64 4.77 -1.26 0.14 117.00 124.28 2kb2 n LEU 23 Ca 0.74 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.51 2kb2 n LEU 23 Cb 0.24 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2kb2 n LEU 23 CO 0.81 0.00 -1.32 0.47 -1.33 0.00 0.00 177.39 176.03 2kb2 n ASP 24 N -0.65 1.98 0.05 -1.43 9.92 -1.26 -4.24 116.55 120.92 2kb2 n ASP 24 Ca 0.00 0.08 -0.03 0.00 -0.53 0.00 0.00 54.79 54.31 2kb2 n ASP 24 Cb 0.00 -0.55 -0.08 0.00 -0.64 0.00 0.00 41.12 39.85 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kb2 h ALA 25 N -0.44 0.61 -0.49 2.24 0.00 -0.59 -2.69 119.26 117.91 2kb2 h ALA 25 Ca -0.58 -0.92 -0.07 0.00 0.00 0.00 0.00 54.91 53.34 2kb2 h ALA 25 Cb 1.69 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2kb2 h ALA 25 CO -0.23 1.09 0.02 1.25 0.00 0.00 0.00 179.25 181.39 2kb2 h LEU 26 N 0.00 0.82 0.01 0.00 6.46 0.94 -2.86 115.31 120.68 2kb2 h LEU 26 Ca -0.12 -0.29 -0.26 0.00 -0.12 0.00 0.00 57.88 57.09 2kb2 h LEU 26 Cb 1.69 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 41.36 2kb2 h LEU 26 CO 0.08 0.91 -1.40 1.62 -0.62 0.00 0.00 178.44 179.03 2kb2 h VAL 27 N 0.70 1.23 0.35 1.05 3.04 -1.74 -3.32 116.25 117.57 2kb2 h VAL 27 Ca 0.14 -3.01 -0.00 0.00 -1.01 0.00 0.00 66.70 62.82 2kb2 h VAL 27 Cb 0.48 2.63 -0.03 0.00 -2.01 0.00 0.00 31.29 32.35 2kb2 h VAL 27 CO 0.02 0.72 -0.45 -0.74 -1.01 0.00 0.00 177.57 176.11 2kb2 h HIS 28 N 0.01 -1.25 0.00 3.17 -0.00 -1.39 0.93 115.15 116.62 2kb2 h HIS 28 Ca -0.17 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2kb2 h HIS 28 Cb 1.91 0.50 -0.00 0.00 -0.00 0.00 0.00 27.41 29.82 2kb2 h HIS 28 CO 0.01 -0.59 -0.02 0.00 -0.00 0.00 0.00 177.93 177.33 2kb2 h ARG 29 N -0.84 0.00 0.13 5.26 -0.00 -1.68 -2.51 114.38 114.74 2kb2 h ARG 29 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 2kb2 h ARG 29 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.74 2kb2 h ARG 29 CO -0.12 0.02 -0.06 0.00 0.00 0.00 0.00 179.97 179.81 2kb2 h ALA 30 N 1.98 -0.19 -0.62 0.04 0.00 -1.35 -3.10 119.26 116.02 2kb2 h ALA 30 Ca -0.00 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.05 2kb2 h ALA 30 Cb 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kb2 h ALA 30 CO 0.00 -0.18 0.51 1.03 0.00 0.00 0.00 179.25 180.62 2kb2 h SER 31 N -0.91 0.00 0.70 0.00 0.87 -0.79 0.37 113.55 113.80 2kb2 h SER 31 Ca -0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2kb2 h SER 31 Cb 0.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2kb2 h SER 31 CO 0.03 0.00 -0.67 -1.28 -0.53 0.00 0.00 176.83 174.38 2kb2 h SER 32 N 0.00 0.00 0.06 6.23 0.87 -1.54 -2.21 113.55 116.96 2kb2 h SER 32 Ca 0.30 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.65 2kb2 h SER 32 Cb 1.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2kb2 h SER 32 CO -0.00 0.67 -1.06 0.50 -0.53 0.00 0.00 176.83 176.41 2kb2 h LYS 33 N 0.00 0.12 -0.58 2.24 3.64 -0.28 -3.38 116.57 118.33 2kb2 h LYS 33 Ca -0.01 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 2kb2 h LYS 33 Cb 1.20 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2kb2 h LYS 33 CO 0.09 1.10 0.10 -0.91 -2.27 0.00 0.00 179.45 177.55 2kb2 h ASN 34 N -0.65 0.89 0.05 4.20 2.35 -1.08 -2.62 115.58 118.72 2kb2 h ASN 34 Ca -0.25 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.32 2kb2 h ASN 34 Cb 1.47 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.56 2kb2 h ASN 34 CO -0.03 0.89 -0.48 0.25 -1.65 0.00 0.00 177.43 176.41 2kb2 h LEU 35 N 0.89 -1.46 -1.49 1.61 5.85 -1.51 0.29 115.31 119.49 2kb2 h LEU 35 Ca 0.18 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2kb2 h LEU 35 Cb 0.39 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2kb2 h LEU 35 CO 0.01 -0.48 -0.21 1.55 -0.34 0.00 0.00 178.44 178.97 2kb2 h PRO 36 N -0.64 0.00 0.00 5.25 0.13 -1.73 -2.42 132.00 132.59 2kb2 h PRO 36 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 2kb2 h PRO 36 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2kb2 h PRO 36 CO -0.29 0.21 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.44 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -0.92 -3.46 115.31 116.56 2kb2 h LEU 37 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kb2 h LEU 37 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2kb2 h LEU 37 CO 0.03 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.17 2kb2 n GLY 38 N 0.46 0.74 3.87 0.83 0.00 0.71 -4.99 105.19 106.81 2kb2 n GLY 38 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2kb2 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kb2 s ILE 39 N -2.20 4.83 0.06 -0.61 1.01 0.60 -4.65 121.20 120.25 2kb2 s ILE 39 Ca 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 2kb2 s ILE 39 Cb 0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2kb2 s ILE 39 CO 0.00 -0.19 0.08 0.42 0.00 0.00 0.00 174.94 175.26 2kb2 s THR 40 N -1.97 0.17 -4.34 2.92 -4.23 -0.83 -3.89 115.64 103.49 2kb2 s THR 40 Ca 0.50 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2kb2 s THR 40 Cb -0.11 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.41 2kb2 s THR 40 CO 0.22 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2kb2 n GLY 41 N 0.17 -0.78 3.28 3.99 0.00 0.13 0.80 105.19 112.78 2kb2 n GLY 41 Ca -0.15 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 2kb2 n GLY 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kb2 s ILE 42 N -3.00 0.06 0.31 -0.61 2.07 -0.61 -3.58 121.20 115.84 2kb2 s ILE 42 Ca 0.00 -0.46 0.10 0.00 -1.41 0.00 0.00 60.65 58.88 2kb2 s ILE 42 Cb 0.00 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.77 2kb2 s ILE 42 CO 0.00 -0.25 -0.05 -0.76 -1.91 0.00 0.00 174.94 171.96 2kb2 s LEU 43 N -1.56 2.91 0.04 8.50 1.43 -0.61 -0.63 118.68 128.76 2kb2 s LEU 43 Ca -0.10 -0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 52.00 2kb2 s LEU 43 Cb -0.03 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 2kb2 s LEU 43 CO 0.02 -0.12 0.08 -0.76 0.23 0.00 0.00 176.35 175.80 2kb2 s LEU 44 N -3.65 1.90 -0.14 1.79 1.02 0.17 0.11 118.68 119.88 2kb2 s LEU 44 Ca 0.33 -0.59 -0.09 0.00 0.02 0.00 0.00 54.13 53.80 2kb2 s LEU 44 Cb -0.02 0.54 0.05 0.00 0.02 0.00 0.00 46.19 46.77 2kb2 s LEU 44 CO 0.18 -0.51 0.35 0.12 0.02 0.00 0.00 176.35 176.51 2kb2 s PHE 45 N -2.71 -0.47 -0.03 0.29 5.36 -0.58 -2.05 117.98 117.79 2kb2 s PHE 45 Ca -0.04 1.06 0.04 0.00 -0.96 0.00 0.00 56.93 57.03 2kb2 s PHE 45 Cb -0.01 0.17 0.07 0.00 -0.34 0.00 0.00 43.02 42.91 2kb2 s PHE 45 CO -0.05 -0.27 1.02 0.27 -1.46 0.00 0.00 175.22 174.73 2kb2 n ASN 46 N 3.88 2.00 0.00 6.13 0.23 -1.16 0.98 115.26 127.32 2kb2 n ASN 46 Ca -0.21 -2.22 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 2kb2 n ASN 46 Cb 0.55 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2kb2 n ASN 46 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kb2 n GLY 47 N -0.69 0.55 0.00 4.83 0.00 -1.26 -4.73 105.19 103.88 2kb2 n GLY 47 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kb2 n GLY 47 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kb2 n LEU 48 N 0.00 0.00 -4.59 0.99 -0.00 -1.26 -4.93 117.00 107.21 2kb2 n LEU 48 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 2kb2 n LEU 48 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2kb2 n LEU 48 CO 0.00 0.00 -0.33 -1.10 -0.00 0.00 0.00 177.39 175.96 2kb2 s GLN 49 N -1.00 1.94 -0.22 1.96 -0.21 -1.26 -0.41 119.66 120.45 2kb2 s GLN 49 Ca 0.00 -1.92 -0.00 0.00 0.02 0.00 0.00 55.36 53.46 2kb2 s GLN 49 Cb 0.00 -1.77 0.06 0.00 1.00 0.00 0.00 33.01 32.30 2kb2 s GLN 49 CO 0.00 0.09 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.18 2kb2 s PHE 50 N -2.60 1.95 -0.12 0.91 0.08 -0.99 -2.99 117.98 114.22 2kb2 s PHE 50 Ca 0.34 -1.47 -0.09 0.00 0.12 0.00 0.00 56.93 55.83 2kb2 s PHE 50 Cb 0.03 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2kb2 s PHE 50 CO 0.18 -0.72 0.19 0.12 -0.10 0.00 0.00 175.22 174.88 2kb2 s PHE 51 N 1.55 3.59 -0.04 0.36 5.36 -0.87 -1.03 117.98 126.90 2kb2 s PHE 51 Ca -0.04 0.58 -0.01 0.00 -0.96 0.00 0.00 56.93 56.49 2kb2 s PHE 51 Cb -0.18 -2.04 0.03 0.00 -0.34 0.00 0.00 43.02 40.49 2kb2 s PHE 51 CO -0.07 0.64 0.04 -1.14 -1.46 0.00 0.00 175.22 173.23 2kb2 s GLN 52 N -0.78 0.01 -0.56 10.12 0.74 -0.28 0.42 119.66 129.34 2kb2 s GLN 52 Ca 0.15 0.28 -0.18 0.00 0.05 0.00 0.00 55.36 55.67 2kb2 s GLN 52 Cb -0.13 -0.46 0.10 0.00 1.10 0.00 0.00 33.01 33.62 2kb2 s GLN 52 CO 0.05 -0.27 0.61 0.08 -0.55 0.00 0.00 175.29 175.21 2kb2 s VAL 53 N 1.75 4.97 -0.05 1.34 1.01 0.20 -2.08 120.40 127.55 2kb2 s VAL 53 Ca -0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 2kb2 s VAL 53 Cb -0.12 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2kb2 s VAL 53 CO -0.03 -0.97 0.13 -0.22 0.00 0.00 0.00 175.10 174.00 2kb2 s LEU 54 N 2.28 4.19 0.11 3.92 2.96 0.98 -1.58 118.68 131.55 2kb2 s LEU 54 Ca 0.09 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2kb2 s LEU 54 Cb -0.25 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2kb2 s LEU 54 CO 0.06 0.32 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.71 2kb2 s GLU 55 N -1.51 0.91 0.00 1.98 2.02 0.24 0.06 118.70 122.40 2kb2 s GLU 55 Ca 0.21 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.89 2kb2 s GLU 55 Cb -0.12 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.64 2kb2 s GLU 55 CO 0.11 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.85 2kb2 n GLY 56 N 0.13 0.83 3.76 -1.39 0.00 0.30 -1.96 105.19 106.85 2kb2 n GLY 56 Ca -0.13 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 2kb2 n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kb2 n THR 57 N 0.60 1.97 -0.00 2.61 -2.24 -1.26 0.40 114.28 116.36 2kb2 n THR 57 Ca 0.00 -0.49 0.22 0.00 -2.27 0.00 0.00 64.05 61.51 2kb2 n THR 57 Cb 0.00 -1.88 0.72 0.00 -2.10 0.00 0.00 70.33 67.07 2kb2 n THR 57 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kb2 h GLU 58 N 2.90 0.00 -0.14 -0.78 4.81 -1.86 0.23 114.58 119.74 2kb2 h GLU 58 Ca -0.50 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.59 2kb2 h GLU 58 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2kb2 h GLU 58 CO 0.64 0.00 -0.55 1.05 -0.73 0.00 0.00 179.01 179.42 2kb2 h GLU 59 N 0.00 0.41 0.10 1.92 4.11 -1.95 -2.06 114.58 117.10 2kb2 h GLU 59 Ca 0.27 -0.25 -0.29 0.00 0.07 0.00 0.00 59.36 59.15 2kb2 h GLU 59 Cb 1.22 0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.53 2kb2 h GLU 59 CO -0.00 0.85 -1.21 0.00 0.07 0.00 0.00 179.01 178.71 2kb2 h ALA 60 N 1.10 0.01 -0.38 1.06 0.00 -0.96 -3.09 119.26 117.01 2kb2 h ALA 60 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2kb2 h ALA 60 Cb 1.06 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2kb2 h ALA 60 CO 0.09 0.68 0.16 -0.07 0.00 0.00 0.00 179.25 180.11 2kb2 h LEU 61 N 0.30 0.52 0.85 0.00 3.38 -1.20 -0.93 115.31 118.22 2kb2 h LEU 61 Ca -0.18 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2kb2 h LEU 61 Cb 1.88 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2kb2 h LEU 61 CO 0.23 0.54 -0.47 -0.08 0.09 0.00 0.00 178.44 178.75 2kb2 h GLU 62 N 0.47 -1.18 -0.41 1.13 4.81 -1.47 0.16 114.58 118.10 2kb2 h GLU 62 Ca 0.13 0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 2kb2 h GLU 62 Cb 0.18 0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2kb2 h GLU 62 CO -0.01 -0.79 0.09 0.77 -0.73 0.00 0.00 179.01 178.34 2kb2 h SER 63 N -1.22 0.02 0.67 1.04 0.02 -1.56 0.14 113.55 112.66 2kb2 h SER 63 Ca -0.11 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2kb2 h SER 63 Cb 0.96 0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.60 2kb2 h SER 63 CO 0.15 0.05 -0.32 0.25 -1.14 0.00 0.00 176.83 175.82 2kb2 h LEU 64 N 0.22 -0.76 -1.78 5.07 7.12 -1.10 -0.68 115.31 123.39 2kb2 h LEU 64 Ca 0.20 0.03 0.33 0.00 0.13 0.00 0.00 57.88 58.56 2kb2 h LEU 64 Cb 0.24 0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 40.50 2kb2 h LEU 64 CO -0.25 -0.54 0.80 0.15 -0.13 0.00 0.00 178.44 178.47 2kb2 h PHE 65 N -0.92 0.22 0.00 1.25 3.57 -0.57 1.02 116.94 121.51 2kb2 h PHE 65 Ca -0.09 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.27 2kb2 h PHE 65 Cb 0.69 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2kb2 h PHE 65 CO 0.07 0.01 -0.68 0.77 -2.23 0.00 0.00 178.31 176.26 2kb2 h SER 66 N 0.12 0.00 0.59 0.41 0.02 -0.20 -2.68 113.55 111.81 2kb2 h SER 66 Ca 0.58 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.41 2kb2 h SER 66 Cb 2.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.58 2kb2 h SER 66 CO -0.11 0.68 -0.58 -0.33 -1.14 0.00 0.00 176.83 175.34 2kb2 h GLU 67 N 0.00 0.00 0.24 3.45 4.39 0.26 -3.20 114.58 119.71 2kb2 h GLU 67 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2kb2 h GLU 67 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2kb2 h GLU 67 CO 0.09 0.58 -0.12 0.82 -1.16 0.00 0.00 179.01 179.22 2kb2 h ILE 68 N 0.00 0.82 0.00 3.13 5.03 -0.85 -2.54 117.51 123.10 2kb2 h ILE 68 Ca -0.01 -0.43 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 2kb2 h ILE 68 Cb 1.03 1.07 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 2kb2 h ILE 68 CO 0.08 0.09 0.00 0.00 -0.68 0.00 0.00 178.15 177.64 2kb2 n GLN 69 N -5.13 0.00 -0.46 2.37 6.02 -1.06 -0.25 117.38 118.87 2kb2 n GLN 69 Ca -0.09 0.42 0.10 0.00 -0.01 0.00 0.00 57.00 57.42 2kb2 n GLN 69 Cb 0.22 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.28 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kb2 n SER 70 N -1.50 4.16 -4.80 1.08 7.64 -0.97 -4.98 113.62 114.26 2kb2 n SER 70 Ca 0.01 -2.27 -0.36 0.00 1.01 0.00 0.00 58.87 57.26 2kb2 n SER 70 Cb 0.05 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kb2 s ASP 71 N -1.02 7.19 -0.22 6.43 1.01 0.66 -4.97 116.67 125.75 2kb2 s ASP 71 Ca 0.45 1.69 0.04 0.00 0.71 0.00 0.00 52.55 55.45 2kb2 s ASP 71 Cb 0.27 -2.53 0.40 0.00 1.01 0.00 0.00 42.92 42.08 2kb2 s ASP 71 CO 0.25 -0.09 1.42 -0.81 0.21 0.00 0.00 175.17 176.15 2kb2 n PRO 72 N 0.38 2.14 0.00 8.23 -0.04 -1.26 -4.49 135.00 139.96 2kb2 n PRO 72 Ca 0.02 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 2kb2 n PRO 72 Cb 0.51 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2kb2 n PRO 72 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kb2 n ARG 73 N -0.19 0.00 0.00 0.54 0.63 -1.26 -5.07 116.66 111.30 2kb2 n ARG 73 Ca 0.28 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 2kb2 n ARG 73 Cb 1.05 -0.06 0.00 0.00 0.45 0.00 0.00 32.46 33.90 2kb2 n ARG 73 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2kb2 n HIS 74 N -2.00 -0.18 0.20 -0.14 1.44 -1.26 -3.84 115.22 109.43 2kb2 n HIS 74 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kb2 n HIS 74 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2kb2 n HIS 74 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2kb2 n ARG 75 N 0.00 0.00 -1.38 -1.40 1.85 -1.26 -4.68 116.66 109.79 2kb2 n ARG 75 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 2kb2 n ARG 75 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 2kb2 n ARG 75 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2kb2 n ASP 76 N -3.35 6.24 -4.73 2.89 2.03 -1.26 -4.84 116.55 113.54 2kb2 n ASP 76 Ca 0.00 -3.01 -0.42 0.00 0.52 0.00 0.00 54.79 51.89 2kb2 n ASP 76 Cb 0.00 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.08 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb2 s VAL 77 N -1.31 3.19 -0.01 5.18 0.11 -1.25 -3.94 120.40 122.37 2kb2 s VAL 77 Ca 0.61 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 60.59 2kb2 s VAL 77 Cb 0.36 -3.59 0.02 0.00 -1.53 0.00 0.00 36.38 31.63 2kb2 s VAL 77 CO -0.16 0.12 0.02 -0.69 -3.33 0.00 0.00 175.10 171.05 2kb2 s VAL 78 N 0.45 -0.03 -0.26 2.04 1.01 0.05 -4.90 120.40 118.75 2kb2 s VAL 78 Ca 0.60 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.42 2kb2 s VAL 78 Cb -0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2kb2 s VAL 78 CO 0.36 0.05 2.00 -0.70 0.00 0.00 0.00 175.10 176.81 2kb2 s GLU 79 N 0.61 3.28 -0.06 2.72 2.12 -1.26 -1.63 118.70 124.47 2kb2 s GLU 79 Ca -0.05 1.77 -0.05 0.00 0.36 0.00 0.00 54.97 57.00 2kb2 s GLU 79 Cb -0.07 -4.28 -0.28 0.00 0.26 0.00 0.00 34.13 29.76 2kb2 s GLU 79 CO -0.02 -1.93 0.60 -0.07 -0.54 0.00 0.00 175.26 173.30 2kb2 h LEU 80 N 14.20 0.44 -8.37 2.70 4.07 0.32 -3.47 115.31 125.19 2kb2 h LEU 80 Ca -0.38 -0.77 -0.14 0.00 0.08 0.00 0.00 57.88 56.67 2kb2 h LEU 80 Cb 1.20 -0.14 -0.12 0.00 1.08 0.00 0.00 40.66 42.68 2kb2 h LEU 80 CO 0.99 1.67 -0.37 -0.32 -1.08 0.00 0.00 178.44 179.33 2kb2 s MET 81 N -2.58 1.34 0.00 1.13 1.75 0.21 -4.89 119.30 116.26 2kb2 s MET 81 Ca -0.16 -1.41 0.00 0.00 -1.25 0.00 0.00 55.69 52.88 2kb2 s MET 81 Cb 0.06 0.37 0.00 0.00 2.84 0.00 0.00 34.83 38.10 2kb2 s MET 81 CO 0.82 -0.50 0.00 -2.13 -0.65 0.00 0.00 175.02 172.56 2kb2 n ARG 82 N -0.31 0.00 -4.13 4.11 0.63 -1.05 -0.28 116.66 115.63 2kb2 n ARG 82 Ca -0.01 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.77 2kb2 n ARG 82 Cb 0.64 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.42 2kb2 n ARG 82 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kb2 s ASP 83 N 0.00 0.89 1.14 6.15 2.15 -0.87 -4.90 116.67 121.22 2kb2 s ASP 83 Ca 0.00 -0.39 -0.12 0.00 0.43 0.00 0.00 52.55 52.46 2kb2 s ASP 83 Cb 0.00 -0.02 0.27 0.00 -0.30 0.00 0.00 42.92 42.87 2kb2 s ASP 83 CO 0.00 -0.09 1.04 -0.31 -0.17 0.00 0.00 175.17 175.65 2kb2 s TYR 84 N -0.91 1.39 0.15 -5.34 2.02 -1.26 0.74 117.35 114.14 2kb2 s TYR 84 Ca -0.05 1.25 -0.24 0.00 -0.37 0.00 0.00 57.07 57.66 2kb2 s TYR 84 Cb -0.07 -3.13 0.08 0.00 -0.40 0.00 0.00 41.96 38.44 2kb2 s TYR 84 CO 0.00 -3.76 1.07 -1.54 -1.57 0.00 0.00 175.55 169.76 2kb2 s SER 85 N -2.55 -0.02 0.00 2.29 1.04 0.17 -4.61 113.70 110.02 2kb2 s SER 85 Ca 0.68 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2kb2 s SER 85 Cb -0.25 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2kb2 s SER 85 CO 0.64 -0.87 0.51 0.00 0.98 0.00 0.00 173.24 174.49 2kb2 n ALA 86 N -0.69 1.02 -3.14 5.32 0.00 -1.26 -0.68 120.51 121.09 2kb2 n ALA 86 Ca -0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 2kb2 n ALA 86 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 2kb2 n ALA 86 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kb2 s TYR 87 N -0.08 -0.26 -0.26 0.00 1.13 -1.26 -4.96 117.35 111.66 2kb2 s TYR 87 Ca 0.00 0.17 -0.07 0.00 -1.41 0.00 0.00 57.07 55.76 2kb2 s TYR 87 Cb 0.00 0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 41.08 2kb2 s TYR 87 CO 0.00 -0.61 0.06 1.03 -2.51 0.00 0.00 175.55 173.52 2kb2 s ARG 88 N -2.77 3.50 -0.00 -3.49 0.52 -1.26 -4.96 118.95 110.49 2kb2 s ARG 88 Ca -0.03 -0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 54.36 2kb2 s ARG 88 Cb -0.00 -3.30 -0.15 0.00 0.52 0.00 0.00 34.95 32.02 2kb2 s ARG 88 CO -0.04 -0.25 1.10 0.00 0.02 0.00 0.00 175.30 176.12 2kb2 h ARG 89 N 8.23 -0.52 -1.75 3.54 -0.00 -1.96 -3.22 114.38 118.70 2kb2 h ARG 89 Ca -0.37 0.04 -0.33 0.00 -0.50 0.00 0.00 59.98 58.82 2kb2 h ARG 89 Cb 1.16 0.12 -0.13 0.00 0.00 0.00 0.00 29.97 31.12 2kb2 h ARG 89 CO 0.59 -0.21 0.29 1.19 0.00 0.00 0.00 179.97 181.83 2kb2 n PHE 90 N -5.18 1.24 0.06 3.04 3.72 -1.26 -4.56 117.46 114.53 2kb2 n PHE 90 Ca -0.10 -1.81 0.04 0.00 -0.05 0.00 0.00 57.45 55.53 2kb2 n PHE 90 Cb 0.28 -1.09 0.20 0.00 -0.94 0.00 0.00 39.48 37.93 2kb2 n PHE 90 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2kb2 n HIS 91 N 0.83 0.25 -0.02 1.38 1.44 -1.22 -0.47 115.22 117.42 2kb2 n HIS 91 Ca 0.33 0.13 0.07 0.00 -2.01 0.00 0.00 57.72 56.25 2kb2 n HIS 91 Cb 0.60 -0.65 -0.15 0.00 0.12 0.00 0.00 29.99 29.90 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kb2 n GLY 92 N -1.38 -1.04 2.80 -1.39 0.00 -1.26 -4.86 105.19 98.05 2kb2 n GLY 92 Ca -0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 2kb2 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb2 s THR 93 N -3.31 0.76 0.23 2.61 2.01 0.38 -5.02 115.64 113.30 2kb2 s THR 93 Ca -0.08 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 2kb2 s THR 93 Cb 0.12 -1.12 0.20 0.00 0.01 0.00 0.00 72.50 71.71 2kb2 s THR 93 CO 0.88 -0.06 1.84 1.23 -0.69 0.00 0.00 174.62 177.83 2kb2 h GLY 94 N 8.19 1.32 -5.02 4.40 0.00 -1.83 -3.26 103.07 106.88 2kb2 h GLY 94 Ca -0.19 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 2kb2 h GLY 94 CO 0.35 0.59 0.07 -0.29 0.00 0.00 0.00 176.54 177.26 2kb2 s MET 95 N -5.79 0.77 -0.27 4.80 1.75 -1.25 -0.70 119.30 118.61 2kb2 s MET 95 Ca -0.13 1.06 0.00 0.00 -1.25 0.00 0.00 55.69 55.38 2kb2 s MET 95 Cb 0.17 0.30 0.16 0.00 2.84 0.00 0.00 34.83 38.30 2kb2 s MET 95 CO 0.83 -0.12 0.45 0.50 -0.65 0.00 0.00 175.02 176.03 2kb2 s ARG 96 N 0.84 0.43 0.87 4.11 3.00 -1.23 -4.50 118.95 122.47 2kb2 s ARG 96 Ca -0.04 0.46 -0.10 0.00 -1.00 0.00 0.00 55.73 55.06 2kb2 s ARG 96 Cb -0.05 -0.16 0.12 0.00 0.00 0.00 0.00 34.95 34.86 2kb2 s ARG 96 CO -0.07 -0.83 1.13 -1.50 0.00 0.00 0.00 175.30 174.03 2kb2 s ILE 97 N 2.63 2.44 -0.39 4.11 -1.16 -1.26 -1.57 121.20 126.00 2kb2 s ILE 97 Ca 0.13 0.14 0.01 0.00 -0.51 0.00 0.00 60.65 60.42 2kb2 s ILE 97 Cb -0.14 -2.30 0.13 0.00 0.61 0.00 0.00 42.46 40.76 2kb2 s ILE 97 CO -0.23 -0.19 0.21 -0.22 -2.81 0.00 0.00 174.94 171.71 2kb2 s LEU 98 N -6.41 1.86 -0.91 8.50 2.96 0.31 -4.75 118.68 120.25 2kb2 s LEU 98 Ca 0.65 -2.32 -0.26 0.00 -0.22 0.00 0.00 54.13 51.99 2kb2 s LEU 98 Cb -0.21 -0.73 -0.13 0.00 0.50 0.00 0.00 46.19 45.62 2kb2 s LEU 98 CO 0.57 -0.30 2.20 -0.62 -1.32 0.00 0.00 176.35 176.88 2kb2 s ASP 99 N 0.81 4.16 0.63 3.68 -1.08 -1.26 -1.53 116.67 122.07 2kb2 s ASP 99 Ca 0.17 -0.49 0.33 0.00 -0.52 0.00 0.00 52.55 52.04 2kb2 s ASP 99 Cb -0.23 -2.57 1.82 0.00 -1.46 0.00 0.00 42.92 40.49 2kb2 s ASP 99 CO -0.02 -3.76 2.11 -0.07 0.52 0.00 0.00 175.17 173.94 2kb2 h LEU 100 N 21.09 0.00 -1.46 -1.34 3.38 0.26 0.18 115.31 137.42 2kb2 h LEU 100 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kb2 h LEU 100 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kb2 h LEU 100 CO 1.07 0.00 0.12 0.03 0.09 0.00 0.00 178.44 179.76 2kb2 h ARG 101 N 0.00 0.00 0.05 1.13 2.47 -1.84 -1.04 114.38 115.16 2kb2 h ARG 101 Ca 0.05 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.43 2kb2 h ARG 101 Cb 0.45 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.73 2kb2 h ARG 101 CO -0.00 0.00 -1.88 1.28 0.56 0.00 0.00 179.97 179.92 2kb2 n LEU 102 N -2.33 2.35 0.00 3.04 4.77 0.62 -5.00 117.00 120.45 2kb2 n LEU 102 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kb2 n LEU 102 Cb 0.16 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2kb2 n LEU 102 CO 0.10 0.65 0.00 0.49 -1.33 0.00 0.00 177.39 177.29 2kb2 n PHE 103 N -3.85 0.00 -2.51 -1.77 3.72 -0.39 -5.05 117.46 107.59 2kb2 n PHE 103 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2kb2 n PHE 103 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 2kb2 n PHE 103 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kb2 n GLU 104 N 0.00 0.00 0.42 -1.08 0.28 -1.26 -4.82 120.64 114.18 2kb2 n GLU 104 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2kb2 n GLU 104 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 2kb2 n GLU 104 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kb2 h THR 105 N 0.00 0.10 0.00 3.84 2.02 -1.93 0.23 112.91 117.16 2kb2 h THR 105 Ca 0.00 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 2kb2 h THR 105 Cb 0.00 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2kb2 h THR 105 CO 0.00 0.01 -0.25 -0.78 0.37 0.00 0.00 175.52 174.87 2kb2 h ASP 106 N -1.22 0.00 0.11 4.18 3.58 -1.98 -2.66 116.42 118.43 2kb2 h ASP 106 Ca -0.11 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2kb2 h ASP 106 Cb 0.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2kb2 h ASP 106 CO 0.18 0.25 -0.05 1.23 -2.88 0.00 0.00 179.24 177.97 2kb2 h GLY 107 N 3.35 -0.15 0.88 -0.78 0.00 -1.92 -2.50 103.07 101.95 2kb2 h GLY 107 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2kb2 h GLY 107 CO 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 176.54 176.53 2kb2 h ALA 108 N -0.25 0.04 -0.46 3.60 0.00 -0.64 -1.46 119.26 120.10 2kb2 h ALA 108 Ca -0.01 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2kb2 h ALA 108 Cb 0.56 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2kb2 h ALA 108 CO 0.02 -0.39 -0.01 1.25 0.00 0.00 0.00 179.25 180.12 2kb2 h LEU 109 N -0.07 -0.21 -1.65 0.00 5.85 -1.61 0.15 115.31 117.77 2kb2 h LEU 109 Ca 0.01 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2kb2 h LEU 109 Cb 0.13 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2kb2 h LEU 109 CO -0.00 -0.07 0.33 -0.33 -0.34 0.00 0.00 178.44 178.03 2kb2 h GLU 110 N 0.10 0.43 0.03 1.25 4.39 -1.21 -1.83 114.58 117.74 2kb2 h GLU 110 Ca 0.23 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.93 2kb2 h GLU 110 Cb 0.34 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2kb2 h GLU 110 CO -0.39 0.28 -0.33 0.93 -1.16 0.00 0.00 179.01 178.35 2kb2 h GLU 111 N 0.44 -0.48 -0.88 2.33 4.39 0.40 0.30 114.58 121.08 2kb2 h GLU 111 Ca 0.21 0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.16 2kb2 h GLU 111 Cb 0.28 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 28.92 2kb2 h GLU 111 CO -0.05 -0.32 0.38 0.82 -1.16 0.00 0.00 179.01 178.67 2kb2 h ILE 112 N -0.50 0.49 0.00 3.13 5.03 -1.04 0.61 117.51 125.24 2kb2 h ILE 112 Ca 0.05 -0.14 -0.06 0.00 -0.12 0.00 0.00 64.86 64.60 2kb2 h ILE 112 Cb 0.57 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 34.41 2kb2 h ILE 112 CO -0.25 0.07 -0.28 -0.07 -0.68 0.00 0.00 178.15 176.94 2kb2 h LEU 113 N 0.40 0.00 -0.37 1.44 -0.00 -0.66 0.33 115.31 116.45 2kb2 h LEU 113 Ca 0.54 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 58.48 2kb2 h LEU 113 Cb 1.01 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.61 2kb2 h LEU 113 CO -0.52 0.28 0.05 0.03 -0.00 0.00 0.00 178.44 178.28 2kb2 h ARG 114 N 0.00 0.16 -0.80 1.13 3.08 0.38 0.52 114.38 118.84 2kb2 h ARG 114 Ca -0.00 -0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.53 2kb2 h ARG 114 Cb 0.54 -0.04 -0.28 0.00 0.08 0.00 0.00 29.97 30.28 2kb2 h ARG 114 CO 0.04 0.10 0.30 1.97 -1.07 0.00 0.00 179.97 181.31 2kb2 n PHE 115 N -5.13 2.62 0.00 3.04 -1.74 -1.01 -4.88 117.46 110.35 2kb2 n PHE 115 Ca 0.02 -2.30 0.00 0.00 -0.56 0.00 0.00 57.45 54.61 2kb2 n PHE 115 Cb 0.18 -0.92 0.00 0.00 1.52 0.00 0.00 39.48 40.26 2kb2 n PHE 115 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2kb2 n SER 116 N -0.98 0.00 -1.77 5.98 3.41 0.11 -4.78 113.62 115.60 2kb2 n SER 116 Ca 0.52 0.26 -0.18 0.00 -0.26 0.00 0.00 58.87 59.22 2kb2 n SER 116 Cb 1.03 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.93 2kb2 n SER 116 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kb2 n THR 117 N -0.59 -0.24 -1.55 6.66 -2.24 -1.26 -4.76 114.28 110.31 2kb2 n THR 117 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2kb2 n THR 117 Cb 0.00 -1.92 -0.07 0.00 -2.10 0.00 0.00 70.33 66.24 2kb2 n THR 117 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2kb2 n PHE 118 N -2.62 1.17 1.60 4.78 3.01 -1.26 -4.66 117.46 119.49 2kb2 n PHE 118 Ca -0.19 0.05 0.05 0.00 1.01 0.00 0.00 57.45 58.37 2kb2 n PHE 118 Cb 0.60 -2.50 0.20 0.00 -0.01 0.00 0.00 39.48 37.77 2kb2 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kb2 n GLY 119 N 6.44 -0.40 3.84 1.37 0.00 -1.26 -4.88 105.19 110.30 2kb2 n GLY 119 Ca 0.45 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 2kb2 n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kb2 s VAL 120 N -1.85 1.96 0.03 1.61 -7.23 -1.26 -5.00 120.40 108.66 2kb2 s VAL 120 Ca 0.16 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.02 2kb2 s VAL 120 Cb 0.08 -2.86 -0.17 0.00 0.56 0.00 0.00 36.38 33.99 2kb2 s VAL 120 CO 0.12 0.00 1.30 0.74 -0.31 0.00 0.00 175.10 176.95 2kb2 h THR 121 N -1.50 0.09 -2.49 5.32 2.02 -1.98 -3.46 112.91 110.91 2kb2 h THR 121 Ca -0.47 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 2kb2 h THR 121 Cb 1.31 0.11 -0.23 0.00 -1.74 0.00 0.00 68.15 67.60 2kb2 h THR 121 CO 0.55 0.01 -0.12 -1.83 0.37 0.00 0.00 175.52 174.50 2kb2 s GLU 122 N -5.19 0.59 0.00 6.66 -1.05 -1.26 -5.02 118.70 113.44 2kb2 s GLU 122 Ca -0.16 0.72 0.00 0.00 -0.15 0.00 0.00 54.97 55.39 2kb2 s GLU 122 Cb 0.02 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 2kb2 s GLU 122 CO 0.50 -0.08 0.99 -2.30 0.95 0.00 0.00 175.26 175.33 2kb2 n PRO 123 N 2.88 0.00 0.00 -4.83 -0.02 -1.26 -3.51 135.00 128.25 2kb2 n PRO 123 Ca -0.14 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2kb2 n PRO 123 Cb 0.56 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kb2 n VAL 124 N -1.49 0.00 -0.39 -1.45 0.31 -1.26 -3.78 118.33 110.27 2kb2 n VAL 124 Ca -0.00 0.73 -0.04 0.00 -0.01 0.00 0.00 64.34 65.03 2kb2 n VAL 124 Cb 0.01 -1.47 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 2kb2 n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kb2 n ASN 125 N -0.50 5.23 -4.56 4.52 0.23 -1.23 -4.85 115.26 114.10 2kb2 n ASN 125 Ca 0.00 -2.50 -0.43 0.00 -0.53 0.00 0.00 54.58 51.12 2kb2 n ASN 125 Cb 0.00 -1.03 -0.05 0.00 -2.08 0.00 0.00 39.78 36.62 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2kb2 s ASP 126 N 1.46 6.47 0.24 0.53 2.15 -1.23 -4.93 116.67 121.35 2kb2 s ASP 126 Ca 0.07 0.06 -0.05 0.00 0.43 0.00 0.00 52.55 53.06 2kb2 s ASP 126 Cb 0.05 -2.40 0.45 0.00 -0.30 0.00 0.00 42.92 40.72 2kb2 s ASP 126 CO 0.00 -0.90 1.69 0.03 -0.17 0.00 0.00 175.17 175.82 2kb2 h ARG 127 N 8.88 0.28 -0.18 4.34 2.47 -1.93 -0.81 114.38 127.44 2kb2 h ARG 127 Ca -0.25 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 2kb2 h ARG 127 Cb 1.08 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2kb2 h ARG 127 CO 0.97 0.19 0.06 1.98 0.56 0.00 0.00 179.97 183.72 2kb2 h MET 128 N 0.29 0.27 -0.12 0.04 1.85 -1.95 -2.44 114.93 112.88 2kb2 h MET 128 Ca 0.41 -0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.48 2kb2 h MET 128 Cb 0.67 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.66 2kb2 h MET 128 CO -0.48 0.37 0.14 0.35 -0.40 0.00 0.00 176.91 176.88 2kb2 h PHE 129 N 0.12 0.00 -0.35 1.39 3.57 -1.59 -0.60 116.94 119.48 2kb2 h PHE 129 Ca 0.06 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2kb2 h PHE 129 Cb 0.21 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 2kb2 h PHE 129 CO -0.00 0.00 -0.02 0.00 -2.23 0.00 0.00 178.31 176.06 2kb2 h ARG 130 N 0.00 0.08 0.09 1.11 2.47 -0.68 0.36 114.38 117.81 2kb2 h ARG 130 Ca 0.06 -0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.65 2kb2 h ARG 130 Cb 0.33 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2kb2 h ARG 130 CO -0.00 0.05 -0.56 -0.07 0.56 0.00 0.00 179.97 179.95 2kb2 h LEU 131 N 0.08 0.31 -0.42 3.04 -0.00 -1.42 -3.07 115.31 113.84 2kb2 h LEU 131 Ca 0.17 -0.96 0.05 0.00 -0.00 0.00 0.00 57.88 57.14 2kb2 h LEU 131 Cb 0.24 -0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 40.72 2kb2 h LEU 131 CO -0.30 1.27 -0.54 0.25 -0.00 0.00 0.00 178.44 179.12 2kb2 h LEU 132 N -0.58 -1.80 -1.36 1.67 5.85 -0.97 0.99 115.31 119.10 2kb2 h LEU 132 Ca -0.10 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2kb2 h LEU 132 Cb 1.43 0.75 -0.00 0.00 0.37 0.00 0.00 40.66 43.21 2kb2 h LEU 132 CO 0.10 -0.40 -0.04 0.77 -0.34 0.00 0.00 178.44 178.53 2kb2 h SER 133 N -0.38 0.00 0.80 1.25 4.64 -1.10 -1.94 113.55 116.82 2kb2 h SER 133 Ca 0.09 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 2kb2 h SER 133 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2kb2 h SER 133 CO -0.60 0.04 -0.64 0.00 -0.87 0.00 0.00 176.83 174.76 2kb2 h ALA 134 N 1.96 0.83 0.09 5.18 0.00 -0.80 0.16 119.26 126.68 2kb2 h ALA 134 Ca -0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 54.91 54.04 2kb2 h ALA 134 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kb2 h ALA 134 CO 0.01 0.80 -1.46 0.35 0.00 0.00 0.00 179.25 178.95 2kb2 h PHE 135 N 0.00 0.34 -0.09 0.00 3.57 -0.62 0.14 116.94 120.29 2kb2 h PHE 135 Ca -0.01 -0.25 -0.13 0.00 3.53 0.00 0.00 57.97 61.11 2kb2 h PHE 135 Cb 1.21 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2kb2 h PHE 135 CO 0.00 1.28 -0.53 0.82 -2.23 0.00 0.00 178.31 177.65 2kb2 h ILE 136 N 0.05 1.36 0.00 1.41 5.03 -1.30 0.16 117.51 124.22 2kb2 h ILE 136 Ca -0.21 -1.81 -0.04 0.00 -0.12 0.00 0.00 64.86 62.68 2kb2 h ILE 136 Cb 1.98 1.88 -0.01 0.00 -3.03 0.00 0.00 36.82 37.64 2kb2 h ILE 136 CO 0.15 0.54 -0.47 0.00 -0.68 0.00 0.00 178.15 177.68 2kb2 h ALA 137 N 1.25 0.05 0.00 1.87 0.00 -0.74 -3.30 119.26 118.40 2kb2 h ALA 137 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 54.91 54.04 2kb2 h ALA 137 Cb 1.00 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2kb2 h ALA 137 CO 0.08 0.37 -2.37 -0.25 0.00 0.00 0.00 179.25 177.09 2kb2 n ASP 138 N -4.62 0.08 -3.89 0.00 8.00 0.45 -4.96 116.55 111.61 2kb2 n ASP 138 Ca -0.10 0.01 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 2kb2 n ASP 138 Cb 0.29 0.93 -0.01 0.00 -0.02 0.00 0.00 41.12 42.31 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kb2 n GLY 139 N 1.76 -0.24 2.02 0.44 0.00 0.57 -2.37 105.19 107.37 2kb2 n GLY 139 Ca -0.33 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 2kb2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kb2 n GLY 140 N -1.88 0.14 3.27 -0.02 0.00 -1.26 -4.41 105.19 101.03 2kb2 n GLY 140 Ca -0.31 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kb2 n ARG 141 N -2.17 -1.20 0.19 1.61 5.12 -1.12 -4.88 116.66 114.21 2kb2 n ARG 141 Ca -0.08 1.21 -0.15 0.00 -1.93 0.00 0.00 57.85 56.91 2kb2 n ARG 141 Cb 0.56 -1.87 -0.07 0.00 -1.16 0.00 0.00 32.46 29.91 2kb2 n ARG 141 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 2kb2 h TYR 142 N 2.92 -0.92 0.00 -1.55 -0.00 -1.68 -3.48 116.97 112.28 2kb2 h TYR 142 Ca -0.22 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.52 2kb2 h TYR 142 Cb 1.09 0.37 0.00 0.00 -0.00 0.00 0.00 36.73 38.19 2kb2 h TYR 142 CO 0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 178.16 177.70 2kb2 n LEU 144 N 0.00 1.95 -4.38 0.00 4.32 -1.26 -5.02 117.00 112.61 2kb2 n LEU 144 Ca 0.00 0.35 -0.37 0.00 -0.02 0.00 0.00 56.01 55.97 2kb2 n LEU 144 Cb 0.00 -0.84 0.05 0.00 -1.62 0.00 0.00 43.42 41.01 2kb2 n LEU 144 CO 0.00 0.52 -0.22 -2.65 -1.22 0.00 0.00 177.39 173.83 2kb2 n PRO 145 N -4.28 0.24 -2.94 3.23 -0.02 -1.26 -4.18 135.00 125.80 2kb2 n PRO 145 Ca -0.51 0.11 -0.08 0.00 -2.02 0.00 0.00 63.50 61.00 2kb2 n PRO 145 Cb 0.86 -1.56 0.01 0.00 -0.02 0.00 0.00 33.50 32.79 2kb2 n PRO 145 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2kb2 n GLU 146 N 0.15 -2.43 -3.27 -0.52 2.13 -1.26 -4.94 120.64 110.50 2kb2 n GLU 146 Ca 0.09 2.08 -0.39 0.00 0.66 0.00 0.00 57.16 59.60 2kb2 n GLU 146 Cb 0.49 -4.34 -0.07 0.00 0.27 0.00 0.00 31.44 27.79 2kb2 n GLU 146 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2kb2 s PRO 147 N -1.96 4.11 0.00 5.31 0.04 -1.26 -5.05 135.00 136.20 2kb2 s PRO 147 Ca 0.13 0.31 0.10 0.00 0.04 0.00 0.00 61.00 61.59 2kb2 s PRO 147 Cb -0.03 -3.61 0.08 0.00 0.04 0.00 0.00 34.50 30.98 2kb2 s PRO 147 CO 0.67 -0.25 0.83 1.47 0.04 0.00 0.00 177.00 179.76