#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 0.54 -2.38 1.61 1.02 -1.26 -5.04 120.64 115.13 2kb2 n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 2kb2 n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2kb2 n GLU 2 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2kb2 s PHE 3 N -0.02 3.44 0.50 -0.32 -0.71 -1.26 -5.05 117.98 114.56 2kb2 s PHE 3 Ca 0.00 1.50 0.01 0.00 -1.04 0.00 0.00 56.93 57.40 2kb2 s PHE 3 Cb 0.00 -3.41 0.10 0.00 -1.21 0.00 0.00 43.02 38.50 2kb2 s PHE 3 CO 0.00 -1.08 0.69 -1.33 -1.34 0.00 0.00 175.22 172.16 2kb2 n MET 4 N 2.02 0.20 -0.36 1.99 2.81 -1.26 -5.04 117.12 117.49 2kb2 n MET 4 Ca 0.03 -1.98 -0.29 0.00 -1.81 0.00 0.00 57.70 53.65 2kb2 n MET 4 Cb 0.44 -0.42 0.28 0.00 -0.71 0.00 0.00 33.22 32.81 2kb2 n MET 4 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2kb2 n LEU 5 N 0.00 -1.27 -3.53 4.03 7.94 -0.05 -4.34 117.00 119.78 2kb2 n LEU 5 Ca 0.12 -0.50 -0.13 0.00 -1.11 0.00 0.00 56.01 54.39 2kb2 n LEU 5 Cb 0.42 -1.15 -0.04 0.00 0.53 0.00 0.00 43.42 43.18 2kb2 n LEU 5 CO 0.28 -3.93 0.32 -0.89 -1.11 0.00 0.00 177.39 172.06 2kb2 s THR 6 N -2.27 0.02 -0.38 1.96 2.01 0.13 0.01 115.64 117.12 2kb2 s THR 6 Ca 0.69 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.52 2kb2 s THR 6 Cb -0.20 -1.01 0.11 0.00 0.01 0.00 0.00 72.50 71.41 2kb2 s THR 6 CO 0.62 -0.10 0.14 -0.89 -0.69 0.00 0.00 174.62 173.70 2kb2 s THR 7 N -2.88 1.75 -0.05 -0.82 2.01 0.19 0.66 115.64 116.49 2kb2 s THR 7 Ca -0.03 -2.30 -0.23 0.00 0.31 0.00 0.00 61.69 59.44 2kb2 s THR 7 Cb -0.00 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2kb2 s THR 7 CO -0.05 -0.72 0.70 -0.22 -0.69 0.00 0.00 174.62 173.64 2kb2 s LEU 8 N 0.77 4.34 0.09 4.42 1.98 0.11 -2.48 118.68 127.91 2kb2 s LEU 8 Ca 0.13 1.22 0.06 0.00 -2.89 0.00 0.00 54.13 52.65 2kb2 s LEU 8 Cb -0.21 -3.09 -0.03 0.00 0.66 0.00 0.00 46.19 43.52 2kb2 s LEU 8 CO -0.10 -0.09 -0.16 -0.63 -1.89 0.00 0.00 176.35 173.49 2kb2 s ILE 9 N 0.64 1.27 0.27 6.68 1.01 0.47 0.10 121.20 131.63 2kb2 s ILE 9 Ca 0.37 -1.43 -0.19 0.00 0.00 0.00 0.00 60.65 59.40 2kb2 s ILE 9 Cb -0.18 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.06 2kb2 s ILE 9 CO 0.19 -0.22 0.66 -0.72 0.00 0.00 0.00 174.94 174.84 2kb2 s TYR 10 N -1.40 -0.09 -0.13 3.97 -0.85 -0.88 0.49 117.35 118.46 2kb2 s TYR 10 Ca 0.02 -0.34 -0.08 0.00 -0.52 0.00 0.00 57.07 56.15 2kb2 s TYR 10 Cb -0.09 0.59 0.05 0.00 0.38 0.00 0.00 41.96 42.89 2kb2 s TYR 10 CO 0.03 -1.17 0.32 -0.98 -1.52 0.00 0.00 175.55 172.23 2kb2 s ARG 11 N -3.93 0.31 0.00 -3.49 1.70 -0.77 -1.00 118.95 111.77 2kb2 s ARG 11 Ca 0.13 0.59 0.00 0.00 -0.47 0.00 0.00 55.73 55.97 2kb2 s ARG 11 Cb -0.05 -0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 2kb2 s ARG 11 CO 0.06 -0.13 0.00 -1.13 -1.08 0.00 0.00 175.30 173.02 2kb2 n SER 12 N 3.88 1.01 0.00 -2.89 3.41 -0.03 -1.04 113.62 117.96 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 1.27 -2.54 4.33 6.02 -1.26 -2.14 117.38 123.06 2kb2 n GLN 13 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 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 -3.17 5.09 3.14 0.35 -3.91 118.33 119.84 2kb2 n VAL 14 Ca 0.00 -0.26 -0.45 0.00 -2.96 0.00 0.00 64.34 60.67 2kb2 n VAL 14 Cb 0.00 0.35 -0.03 0.00 -1.06 0.00 0.00 33.84 33.10 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 -4.22 3.29 0.30 1.45 3.76 -1.23 -4.76 115.29 113.88 2kb2 s HIS 15 Ca 0.10 -1.40 0.25 0.00 -0.15 0.00 0.00 55.06 53.86 2kb2 s HIS 15 Cb -0.01 -3.98 1.34 0.00 1.11 0.00 0.00 32.58 31.04 2kb2 s HIS 15 CO 0.02 -1.20 1.72 -1.00 -0.85 0.00 0.00 174.74 173.43 2kb2 h PRO 16 N 8.65 0.00 0.00 8.40 0.13 -1.93 0.19 132.00 147.44 2kb2 h PRO 16 Ca -0.09 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.75 2kb2 h PRO 16 Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2kb2 h PRO 16 CO 0.99 0.00 -1.73 -3.47 -0.23 0.00 0.00 178.00 173.56 2kb2 n ASP 17 N -2.52 0.82 -4.82 1.44 -0.08 -1.26 -4.94 116.55 105.19 2kb2 n ASP 17 Ca -0.02 0.39 -0.28 0.00 -1.51 0.00 0.00 54.79 53.38 2kb2 n ASP 17 Cb 0.27 0.01 0.09 0.00 2.34 0.00 0.00 41.12 43.83 2kb2 n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb2 s ARG 18 N -2.61 1.89 0.96 -0.67 1.70 0.67 -5.09 118.95 115.80 2kb2 s ARG 18 Ca -0.05 -0.09 -0.15 0.00 -0.47 0.00 0.00 55.73 54.98 2kb2 s ARG 18 Cb 0.08 -2.02 0.21 0.00 -0.57 0.00 0.00 34.95 32.65 2kb2 s ARG 18 CO 0.82 -1.57 1.31 -1.25 -1.08 0.00 0.00 175.30 173.54 2kb2 s PRO 19 N -5.50 0.56 0.96 3.89 0.05 -1.26 -4.91 135.00 128.79 2kb2 s PRO 19 Ca 0.63 -0.54 -0.13 0.00 0.05 0.00 0.00 61.00 61.01 2kb2 s PRO 19 Cb -0.10 -1.87 0.04 0.00 0.05 0.00 0.00 34.50 32.62 2kb2 s PRO 19 CO 0.48 -2.44 0.39 -2.30 0.05 0.00 0.00 177.00 173.18 2kb2 n PRO 20 N -3.75 -0.38 -3.21 0.56 -0.02 -1.26 -4.97 135.00 121.97 2kb2 n PRO 20 Ca 0.16 -0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 2kb2 n PRO 20 Cb 0.59 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.39 4.95 -1.11 -1.45 1.01 -1.26 -4.97 120.40 115.18 2kb2 s VAL 21 Ca 0.57 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 2kb2 s VAL 21 Cb -0.21 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2kb2 s VAL 21 CO 0.67 -0.36 2.79 0.47 0.00 0.00 0.00 175.10 178.67 2kb2 n ASP 22 N -1.00 7.67 0.00 3.32 8.00 -1.26 -4.73 116.55 128.56 2kb2 n ASP 22 Ca -0.00 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.61 2kb2 n ASP 22 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 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 2.27 0.00 -0.12 0.64 4.77 -1.26 0.16 117.00 123.47 2kb2 n LEU 23 Ca 0.63 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.41 2kb2 n LEU 23 Cb 0.38 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2kb2 n LEU 23 CO 0.61 0.00 -1.28 -0.67 -1.33 0.00 0.00 177.39 174.72 2kb2 n ASP 24 N -0.68 2.03 0.08 -1.43 2.03 -1.26 -4.24 116.55 113.07 2kb2 n ASP 24 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2kb2 n ASP 24 Cb 0.00 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 39.86 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb2 h ALA 25 N -0.35 0.64 -0.46 -1.67 0.00 -0.42 -2.69 119.26 114.31 2kb2 h ALA 25 Ca -0.55 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 53.57 2kb2 h ALA 25 Cb 1.68 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2kb2 h ALA 25 CO -0.20 0.83 -0.12 1.25 0.00 0.00 0.00 179.25 181.01 2kb2 h LEU 26 N 0.00 0.89 0.08 0.00 6.46 0.14 -2.85 115.31 120.04 2kb2 h LEU 26 Ca -0.08 -0.36 -0.30 0.00 -0.12 0.00 0.00 57.88 57.01 2kb2 h LEU 26 Cb 1.52 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 2kb2 h LEU 26 CO 0.06 1.05 -1.56 1.62 -0.62 0.00 0.00 178.44 178.99 2kb2 h VAL 27 N 0.72 1.09 0.11 1.05 3.04 -1.74 -3.34 116.25 117.19 2kb2 h VAL 27 Ca 0.11 -2.79 0.02 0.00 -1.01 0.00 0.00 66.70 63.04 2kb2 h VAL 27 Cb 0.66 2.67 -0.04 0.00 -2.01 0.00 0.00 31.29 32.58 2kb2 h VAL 27 CO 0.05 0.78 -0.29 -0.74 -1.01 0.00 0.00 177.57 176.35 2kb2 h HIS 28 N 0.05 -0.80 0.00 3.17 -0.00 -1.47 0.82 115.15 116.93 2kb2 h HIS 28 Ca -0.25 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.14 2kb2 h HIS 28 Cb 1.99 0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 29.74 2kb2 h HIS 28 CO 0.05 -0.40 -0.01 0.00 -0.00 0.00 0.00 177.93 177.57 2kb2 h ARG 29 N -0.51 0.00 0.00 5.26 -0.00 -1.68 -2.56 114.38 114.90 2kb2 h ARG 29 Ca 0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2kb2 h ARG 29 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.51 2kb2 h ARG 29 CO -0.18 0.01 -0.00 0.00 0.00 0.00 0.00 179.97 179.80 2kb2 h ALA 30 N 1.99 -0.00 -0.66 0.04 0.00 -1.30 -3.29 119.26 116.04 2kb2 h ALA 30 Ca -0.00 -0.47 0.13 0.00 0.00 0.00 0.00 54.91 54.57 2kb2 h ALA 30 Cb 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2kb2 h ALA 30 CO 0.00 -0.02 0.18 0.66 0.00 0.00 0.00 179.25 180.07 2kb2 h SER 31 N -0.97 0.08 -0.01 0.00 4.64 -0.50 0.12 113.55 116.91 2kb2 h SER 31 Ca -0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2kb2 h SER 31 Cb 0.94 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2kb2 h SER 31 CO 0.00 0.03 0.01 0.77 -0.87 0.00 0.00 176.83 176.77 2kb2 h SER 32 N 0.31 0.00 0.03 4.97 4.64 -1.62 -0.06 113.55 121.83 2kb2 h SER 32 Ca 0.36 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.50 2kb2 h SER 32 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2kb2 h SER 32 CO -0.42 0.00 -0.96 0.50 -0.87 0.00 0.00 176.83 175.09 2kb2 h LYS 33 N 0.00 0.07 -0.53 4.77 3.64 -1.02 -3.38 116.57 120.11 2kb2 h LYS 33 Ca 0.01 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2kb2 h LYS 33 Cb 0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2kb2 h LYS 33 CO -0.00 1.06 0.21 -0.91 -2.27 0.00 0.00 179.45 177.54 2kb2 h ASN 34 N -0.80 0.74 -0.14 4.20 4.21 -0.75 -2.50 115.58 120.54 2kb2 h ASN 34 Ca -0.24 -0.17 0.03 0.00 1.21 0.00 0.00 56.30 57.13 2kb2 h ASN 34 Cb 1.35 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 38.30 2kb2 h ASN 34 CO -0.07 0.70 -0.53 0.25 -1.29 0.00 0.00 177.43 176.49 2kb2 h LEU 35 N 0.72 -1.67 -1.55 1.61 5.85 -1.10 0.33 115.31 119.51 2kb2 h LEU 35 Ca 0.18 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 2kb2 h LEU 35 Cb 0.20 0.65 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2kb2 h LEU 35 CO -0.01 -0.46 -0.17 1.55 -0.34 0.00 0.00 178.44 179.01 2kb2 h PRO 36 N -0.56 0.00 0.00 5.25 0.13 -1.73 -2.27 132.00 132.82 2kb2 h PRO 36 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2kb2 h PRO 36 Cb 0.65 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2kb2 h PRO 36 CO -0.43 0.17 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.35 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -0.73 -3.47 115.31 116.75 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 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2kb2 h LEU 37 CO 0.02 0.09 0.00 0.61 -1.08 0.00 0.00 178.44 178.08 2kb2 n GLY 38 N 0.72 0.68 3.82 0.83 0.00 0.87 -4.98 105.19 107.12 2kb2 n GLY 38 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.28 4.56 0.01 -0.61 1.01 0.48 -4.63 121.20 119.73 2kb2 s ILE 39 Ca 0.00 1.29 -0.05 0.00 0.00 0.00 0.00 60.65 61.89 2kb2 s ILE 39 Cb 0.00 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2kb2 s ILE 39 CO 0.00 0.17 0.08 0.42 0.00 0.00 0.00 174.94 175.61 2kb2 s THR 40 N -1.57 0.09 -2.27 2.92 -4.23 -1.00 -3.80 115.64 105.78 2kb2 s THR 40 Ca 0.44 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2kb2 s THR 40 Cb -0.16 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.31 2kb2 s THR 40 CO 0.21 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 2kb2 n GLY 41 N 1.54 -0.55 3.29 3.99 0.00 0.64 0.60 105.19 114.70 2kb2 n GLY 41 Ca -0.23 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.13 0.06 0.31 -0.61 2.07 -0.64 -3.49 121.20 115.78 2kb2 s ILE 42 Ca 0.00 -0.51 0.10 0.00 -1.41 0.00 0.00 60.65 58.84 2kb2 s ILE 42 Cb 0.00 -0.89 -0.06 0.00 0.13 0.00 0.00 42.46 41.64 2kb2 s ILE 42 CO 0.00 -0.28 -0.12 -0.76 -1.91 0.00 0.00 174.94 171.87 2kb2 s LEU 43 N -1.87 2.74 0.03 8.50 1.43 -0.10 -0.70 118.68 128.72 2kb2 s LEU 43 Ca -0.07 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 51.92 2kb2 s LEU 43 Cb -0.02 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2kb2 s LEU 43 CO -0.01 -0.10 0.07 -0.76 0.23 0.00 0.00 176.35 175.78 2kb2 s LEU 44 N -3.59 1.92 -0.14 1.79 1.02 0.18 0.12 118.68 119.98 2kb2 s LEU 44 Ca 0.32 -0.54 -0.09 0.00 0.02 0.00 0.00 54.13 53.84 2kb2 s LEU 44 Cb -0.01 0.48 0.05 0.00 0.02 0.00 0.00 46.19 46.73 2kb2 s LEU 44 CO 0.17 -0.46 0.35 0.12 0.02 0.00 0.00 176.35 176.54 2kb2 s PHE 45 N -2.39 -0.48 -0.13 0.29 5.36 -0.70 -1.89 117.98 118.04 2kb2 s PHE 45 Ca -0.07 1.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 2kb2 s PHE 45 Cb -0.03 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.86 2kb2 s PHE 45 CO -0.04 -0.28 0.83 0.27 -1.46 0.00 0.00 175.22 174.54 2kb2 n ASN 46 N 3.95 1.69 0.00 6.13 0.23 -1.17 0.11 115.26 126.20 2kb2 n ASN 46 Ca -0.22 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 2kb2 n ASN 46 Cb 0.55 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 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 -0.20 0.74 0.00 4.83 0.00 -1.26 -4.65 105.19 104.65 2kb2 n GLY 47 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.61 0.99 -0.00 -1.26 -4.96 117.00 107.16 2kb2 n LEU 48 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 2kb2 n LEU 48 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2kb2 n LEU 48 CO 0.00 0.00 -0.34 -1.10 -0.00 0.00 0.00 177.39 175.95 2kb2 s GLN 49 N -1.00 2.08 -0.23 1.96 -0.21 -1.26 -0.49 119.66 120.50 2kb2 s GLN 49 Ca 0.00 -1.64 0.00 0.00 0.02 0.00 0.00 55.36 53.75 2kb2 s GLN 49 Cb 0.00 -1.98 0.06 0.00 1.00 0.00 0.00 33.01 32.09 2kb2 s GLN 49 CO 0.00 0.25 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.33 2kb2 s PHE 50 N -2.45 2.18 -0.04 0.91 0.08 -0.91 -3.02 117.98 114.73 2kb2 s PHE 50 Ca 0.33 -1.64 -0.06 0.00 0.12 0.00 0.00 56.93 55.68 2kb2 s PHE 50 Cb -0.03 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 2kb2 s PHE 50 CO 0.19 -0.76 0.21 0.12 -0.10 0.00 0.00 175.22 174.88 2kb2 s PHE 51 N 1.47 3.59 -0.09 0.36 5.36 -0.79 -0.85 117.98 127.02 2kb2 s PHE 51 Ca -0.04 0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 56.42 2kb2 s PHE 51 Cb -0.19 -1.95 0.05 0.00 -0.34 0.00 0.00 43.02 40.59 2kb2 s PHE 51 CO -0.07 0.67 0.20 -1.14 -1.46 0.00 0.00 175.22 173.42 2kb2 s GLN 52 N -1.50 0.13 -0.45 10.12 0.74 -0.17 0.52 119.66 129.06 2kb2 s GLN 52 Ca 0.23 0.50 -0.16 0.00 0.05 0.00 0.00 55.36 55.98 2kb2 s GLN 52 Cb -0.13 -0.15 0.05 0.00 1.10 0.00 0.00 33.01 33.88 2kb2 s GLN 52 CO 0.12 -0.20 0.37 0.08 -0.55 0.00 0.00 175.29 175.12 2kb2 s VAL 53 N 1.49 5.22 -0.12 1.34 1.01 0.12 -2.07 120.40 127.39 2kb2 s VAL 53 Ca -0.07 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2kb2 s VAL 53 Cb -0.11 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2kb2 s VAL 53 CO -0.07 -0.48 -0.04 -0.22 0.00 0.00 0.00 175.10 174.29 2kb2 s LEU 54 N 1.73 3.30 0.18 3.92 2.96 0.11 -1.61 118.68 129.26 2kb2 s LEU 54 Ca 0.05 -0.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.03 2kb2 s LEU 54 Cb -0.22 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2kb2 s LEU 54 CO 0.09 0.26 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.53 2kb2 s GLU 55 N -0.18 1.46 0.00 1.98 0.41 0.20 0.06 118.70 122.62 2kb2 s GLU 55 Ca 0.03 -1.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.12 2kb2 s GLU 55 Cb -0.13 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 2kb2 s GLU 55 CO 0.02 0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.59 2kb2 n GLY 56 N 0.37 2.04 3.66 -1.39 0.00 0.21 -2.38 105.19 107.71 2kb2 n GLY 56 Ca -0.13 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.69 2.02 0.09 2.61 -2.24 -1.26 0.23 114.28 114.03 2kb2 n THR 57 Ca 0.00 -0.50 0.20 0.00 -2.27 0.00 0.00 64.05 61.48 2kb2 n THR 57 Cb 0.00 -1.38 0.73 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.34 0.00 -0.07 -0.78 4.81 -1.84 0.26 114.58 119.30 2kb2 h GLU 58 Ca -0.44 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 2kb2 h GLU 58 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2kb2 h GLU 58 CO 0.62 0.00 -0.77 1.05 -0.73 0.00 0.00 179.01 179.18 2kb2 h GLU 59 N 0.00 0.43 -0.00 1.92 4.11 -1.94 -2.14 114.58 116.96 2kb2 h GLU 59 Ca 0.20 -0.37 -0.23 0.00 0.07 0.00 0.00 59.36 59.03 2kb2 h GLU 59 Cb 1.15 0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.50 2kb2 h GLU 59 CO -0.00 1.01 -0.90 0.00 0.07 0.00 0.00 179.01 179.19 2kb2 h ALA 60 N 0.88 0.12 -0.29 1.06 0.00 -0.86 -3.14 119.26 117.02 2kb2 h ALA 60 Ca -0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2kb2 h ALA 60 Cb 1.36 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2kb2 h ALA 60 CO 0.13 0.58 0.11 -0.07 0.00 0.00 0.00 179.25 180.00 2kb2 h LEU 61 N 0.25 0.41 0.29 0.00 3.38 -1.29 -0.66 115.31 117.69 2kb2 h LEU 61 Ca -0.11 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kb2 h LEU 61 Cb 1.57 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 2kb2 h LEU 61 CO 0.18 0.48 -0.47 -0.08 0.09 0.00 0.00 178.44 178.64 2kb2 h GLU 62 N 0.32 -0.79 -0.36 1.13 4.81 -1.47 0.26 114.58 118.48 2kb2 h GLU 62 Ca 0.10 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2kb2 h GLU 62 Cb 0.20 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2kb2 h GLU 62 CO -0.01 -0.53 0.17 0.77 -0.73 0.00 0.00 179.01 178.69 2kb2 h SER 63 N -0.82 0.25 0.90 1.04 0.02 -1.54 -0.11 113.55 113.29 2kb2 h SER 63 Ca -0.02 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2kb2 h SER 63 Cb 0.77 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.29 2kb2 h SER 63 CO -0.17 0.19 -0.43 0.25 -1.14 0.00 0.00 176.83 175.53 2kb2 h LEU 64 N 0.36 -1.02 -2.01 5.07 7.12 -0.89 0.72 115.31 124.65 2kb2 h LEU 64 Ca 0.15 0.03 0.15 0.00 0.13 0.00 0.00 57.88 58.35 2kb2 h LEU 64 Cb 0.07 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 2kb2 h LEU 64 CO -0.11 -0.69 0.42 0.15 -0.13 0.00 0.00 178.44 178.08 2kb2 h PHE 65 N -1.28 0.00 0.00 1.25 3.57 -0.46 0.72 116.94 120.74 2kb2 h PHE 65 Ca -0.12 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.28 2kb2 h PHE 65 Cb 0.93 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2kb2 h PHE 65 CO -0.00 0.00 -0.48 0.77 -2.23 0.00 0.00 178.31 176.37 2kb2 h SER 66 N 0.00 0.00 0.63 0.41 0.02 -0.45 -2.88 113.55 111.28 2kb2 h SER 66 Ca 0.25 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.04 2kb2 h SER 66 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2kb2 h SER 66 CO -0.00 0.48 -0.75 -0.33 -1.14 0.00 0.00 176.83 175.08 2kb2 h GLU 67 N 0.00 0.10 0.67 3.45 4.39 0.28 -3.23 114.58 120.23 2kb2 h GLU 67 Ca -0.00 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2kb2 h GLU 67 Cb 1.32 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2kb2 h GLU 67 CO 0.06 0.80 -0.32 0.82 -1.16 0.00 0.00 179.01 179.22 2kb2 h ILE 68 N 0.06 0.25 0.00 3.13 5.03 -0.97 -2.48 117.51 122.54 2kb2 h ILE 68 Ca -0.02 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 2kb2 h ILE 68 Cb 1.33 0.31 0.00 0.00 -3.03 0.00 0.00 36.82 35.43 2kb2 h ILE 68 CO 0.11 0.02 0.05 0.00 -0.68 0.00 0.00 178.15 177.65 2kb2 n GLN 69 N -5.42 0.01 -0.60 2.37 6.02 -1.10 0.50 117.38 119.15 2kb2 n GLN 69 Ca -0.13 0.46 0.09 0.00 -0.01 0.00 0.00 57.00 57.41 2kb2 n GLN 69 Cb 0.38 -1.58 0.35 0.00 1.02 0.00 0.00 30.24 30.40 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 -1.49 4.62 -4.88 1.08 7.64 -0.94 -4.95 113.62 114.69 2kb2 n SER 70 Ca -0.00 -2.43 -0.31 0.00 1.01 0.00 0.00 58.87 57.13 2kb2 n SER 70 Cb 0.06 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.87 6.57 0.00 6.43 1.01 0.18 -5.01 116.67 124.99 2kb2 s ASP 71 Ca 0.49 0.82 0.27 0.00 0.71 0.00 0.00 52.55 54.85 2kb2 s ASP 71 Cb 0.32 -2.19 0.96 0.00 1.01 0.00 0.00 42.92 43.02 2kb2 s ASP 71 CO 0.24 -0.06 1.69 -0.81 0.21 0.00 0.00 175.17 176.44 2kb2 n PRO 72 N -0.19 1.73 0.00 8.23 -0.04 -1.26 -4.57 135.00 138.91 2kb2 n PRO 72 Ca -0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2kb2 n PRO 72 Cb 0.52 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.30 0.00 0.00 0.54 0.63 -1.26 -4.95 116.66 111.91 2kb2 n ARG 73 Ca 0.18 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 2kb2 n ARG 73 Cb 0.38 -0.43 0.00 0.00 0.45 0.00 0.00 32.46 32.86 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 -1.12 -0.70 0.23 -0.14 1.44 -1.26 -3.56 115.22 110.11 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 -1.23 -1.40 1.85 -1.26 -4.66 116.66 109.96 2kb2 n ARG 75 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2kb2 n ARG 75 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 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 -3.43 6.20 -4.64 2.89 2.03 -1.26 -4.84 116.55 113.50 2kb2 n ASP 76 Ca 0.00 -3.01 -0.43 0.00 0.52 0.00 0.00 54.79 51.87 2kb2 n ASP 76 Cb 0.00 -1.23 -0.02 0.00 -0.72 0.00 0.00 41.12 39.15 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 -1.57 3.77 -0.03 5.18 0.11 -1.24 -3.89 120.40 122.73 2kb2 s VAL 77 Ca 0.52 0.88 0.05 0.00 -2.93 0.00 0.00 61.98 60.50 2kb2 s VAL 77 Cb 0.33 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 2kb2 s VAL 77 CO -0.13 -0.27 -0.18 0.54 -3.33 0.00 0.00 175.10 171.74 2kb2 s VAL 78 N 4.85 1.44 -0.05 2.04 0.11 -0.21 -4.90 120.40 123.68 2kb2 s VAL 78 Ca 0.69 -0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 2kb2 s VAL 78 Cb -0.25 -1.21 -0.07 0.00 -1.53 0.00 0.00 36.38 33.32 2kb2 s VAL 78 CO 0.27 0.41 1.89 -0.70 -3.33 0.00 0.00 175.10 173.64 2kb2 s GLU 79 N -0.22 3.98 -0.18 1.54 -6.30 -1.26 -1.84 118.70 114.41 2kb2 s GLU 79 Ca 0.02 2.33 0.00 0.00 -2.50 0.00 0.00 54.97 54.82 2kb2 s GLU 79 Cb -0.09 -4.13 -0.22 0.00 0.00 0.00 0.00 34.13 29.69 2kb2 s GLU 79 CO 0.01 -1.12 0.11 1.28 0.02 0.00 0.00 175.26 175.55 2kb2 n LEU 80 N 8.10 2.48 -3.96 2.70 4.32 0.18 -4.92 117.00 125.90 2kb2 n LEU 80 Ca 0.20 0.06 -0.10 0.00 -0.02 0.00 0.00 56.01 56.16 2kb2 n LEU 80 Cb 0.42 -0.83 -0.07 0.00 -1.62 0.00 0.00 43.42 41.33 2kb2 n LEU 80 CO 0.66 0.83 0.03 -0.32 -1.22 0.00 0.00 177.39 177.37 2kb2 s MET 81 N -2.54 1.24 0.00 3.23 1.75 -0.61 -4.93 119.30 117.45 2kb2 s MET 81 Ca -0.26 -1.18 0.00 0.00 -1.25 0.00 0.00 55.69 53.00 2kb2 s MET 81 Cb 0.08 0.40 0.00 0.00 2.84 0.00 0.00 34.83 38.15 2kb2 s MET 81 CO 0.71 -0.47 0.00 -2.13 -0.65 0.00 0.00 175.02 172.47 2kb2 n ARG 82 N -0.26 0.00 -4.15 4.11 0.63 -1.10 -0.40 116.66 115.49 2kb2 n ARG 82 Ca -0.06 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.72 2kb2 n ARG 82 Cb 0.63 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.41 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 0.93 0.87 6.15 2.15 -1.03 -4.90 116.67 120.84 2kb2 s ASP 83 Ca 0.00 -0.38 -0.10 0.00 0.43 0.00 0.00 52.55 52.50 2kb2 s ASP 83 Cb 0.00 -0.03 0.12 0.00 -0.30 0.00 0.00 42.92 42.71 2kb2 s ASP 83 CO 0.00 -0.07 1.12 -0.31 -0.17 0.00 0.00 175.17 175.74 2kb2 s TYR 84 N -0.86 2.00 0.25 -5.34 2.02 -1.26 0.52 117.35 114.68 2kb2 s TYR 84 Ca -0.04 1.66 -0.18 0.00 -0.37 0.00 0.00 57.07 58.14 2kb2 s TYR 84 Cb -0.07 -3.22 0.01 0.00 -0.40 0.00 0.00 41.96 38.29 2kb2 s TYR 84 CO 0.00 -2.45 0.61 -1.12 -1.57 0.00 0.00 175.55 171.02 2kb2 s SER 85 N -2.97 -0.21 0.00 2.29 0.01 0.10 -4.73 113.70 108.19 2kb2 s SER 85 Ca 0.65 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2kb2 s SER 85 Cb -0.20 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2kb2 s SER 85 CO 0.57 -1.22 0.49 0.00 0.41 0.00 0.00 173.24 173.49 2kb2 n ALA 86 N -0.41 1.39 -3.40 1.44 0.00 -1.26 -0.87 120.51 117.40 2kb2 n ALA 86 Ca -0.05 -0.49 -0.16 0.00 0.00 0.00 0.00 53.44 52.75 2kb2 n ALA 86 Cb 0.61 0.00 -0.07 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 -0.24 -0.45 -0.42 0.00 1.13 -1.26 -4.97 117.35 111.15 2kb2 s TYR 87 Ca 0.00 0.75 -0.19 0.00 -1.41 0.00 0.00 57.07 56.22 2kb2 s TYR 87 Cb 0.00 0.27 0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2kb2 s TYR 87 CO 0.00 -0.52 0.54 1.03 -2.51 0.00 0.00 175.55 174.09 2kb2 s ARG 88 N -1.26 3.24 0.18 -3.49 0.52 -1.26 -4.95 118.95 111.93 2kb2 s ARG 88 Ca -0.12 -0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 54.44 2kb2 s ARG 88 Cb -0.02 -3.94 0.09 0.00 0.52 0.00 0.00 34.95 31.60 2kb2 s ARG 88 CO 0.07 -0.89 1.82 0.00 0.02 0.00 0.00 175.30 176.32 2kb2 h ARG 89 N 8.76 0.60 -5.46 3.54 -0.00 -1.97 -3.39 114.38 116.47 2kb2 h ARG 89 Ca -0.26 -0.04 -0.61 0.00 -0.50 0.00 0.00 59.98 58.57 2kb2 h ARG 89 Cb 1.11 -0.14 -0.12 0.00 0.00 0.00 0.00 29.97 30.82 2kb2 h ARG 89 CO 0.83 0.40 0.10 -0.06 0.00 0.00 0.00 179.97 181.24 2kb2 s PHE 90 N -6.14 3.26 -0.19 3.04 0.08 -1.26 -4.27 117.98 112.50 2kb2 s PHE 90 Ca -0.13 0.69 -0.01 0.00 0.12 0.00 0.00 56.93 57.61 2kb2 s PHE 90 Cb 0.13 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.74 2kb2 s PHE 90 CO 0.74 -0.35 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.79 2kb2 s HIS 91 N 2.47 2.84 0.00 0.36 5.65 -1.26 -4.55 115.29 120.80 2kb2 s HIS 91 Ca 0.24 -1.30 0.00 0.00 0.25 0.00 0.00 55.06 54.25 2kb2 s HIS 91 Cb -0.15 -1.98 0.00 0.00 -1.18 0.00 0.00 32.58 29.27 2kb2 s HIS 91 CO 0.10 -0.66 0.00 0.41 -0.65 0.00 0.00 174.74 173.93 2kb2 n GLY 92 N 4.59 0.76 2.60 1.59 0.00 -1.26 -4.99 105.19 108.48 2kb2 n GLY 92 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.74 1.15 0.13 2.61 2.01 -1.26 -4.99 115.64 112.55 2kb2 s THR 93 Ca 0.00 -2.81 -0.21 0.00 0.31 0.00 0.00 61.69 58.98 2kb2 s THR 93 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2kb2 s THR 93 CO 0.00 -1.05 1.70 1.23 -0.69 0.00 0.00 174.62 175.81 2kb2 h GLY 94 N 6.12 0.09 -5.48 4.40 0.00 -1.84 -3.12 103.07 103.24 2kb2 h GLY 94 Ca 0.13 0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 2kb2 h GLY 94 CO 0.46 -0.08 -0.38 -0.29 0.00 0.00 0.00 176.54 176.24 2kb2 s MET 95 N -6.19 0.32 -0.28 4.80 1.75 -1.26 -0.26 119.30 118.18 2kb2 s MET 95 Ca -0.14 0.47 0.01 0.00 -1.25 0.00 0.00 55.69 54.78 2kb2 s MET 95 Cb 0.10 0.10 0.16 0.00 2.84 0.00 0.00 34.83 38.02 2kb2 s MET 95 CO 0.68 -0.08 0.44 0.50 -0.65 0.00 0.00 175.02 175.91 2kb2 s ARG 96 N 0.48 0.43 0.86 4.11 3.00 -1.23 -4.60 118.95 122.00 2kb2 s ARG 96 Ca -0.03 0.40 -0.11 0.00 -1.00 0.00 0.00 55.73 55.00 2kb2 s ARG 96 Cb -0.04 -0.21 0.11 0.00 0.00 0.00 0.00 34.95 34.81 2kb2 s ARG 96 CO -0.03 -0.86 1.10 -1.50 0.00 0.00 0.00 175.30 174.01 2kb2 s ILE 97 N 2.61 2.77 -0.36 4.11 -1.16 -1.26 -0.92 121.20 126.99 2kb2 s ILE 97 Ca 0.12 0.25 -0.00 0.00 -0.51 0.00 0.00 60.65 60.51 2kb2 s ILE 97 Cb -0.13 -2.58 0.13 0.00 0.61 0.00 0.00 42.46 40.49 2kb2 s ILE 97 CO -0.24 -0.33 0.20 -0.22 -2.81 0.00 0.00 174.94 171.54 2kb2 s LEU 98 N -6.25 1.48 -0.91 8.50 2.96 0.32 -4.73 118.68 120.06 2kb2 s LEU 98 Ca 0.64 -2.14 -0.26 0.00 -0.22 0.00 0.00 54.13 52.15 2kb2 s LEU 98 Cb -0.19 -0.60 -0.14 0.00 0.50 0.00 0.00 46.19 45.76 2kb2 s LEU 98 CO 0.57 -0.32 2.22 -0.62 -1.32 0.00 0.00 176.35 176.88 2kb2 s ASP 99 N 1.07 4.09 0.64 3.68 2.15 -1.26 -1.73 116.67 125.31 2kb2 s ASP 99 Ca 0.16 -0.44 0.35 0.00 0.43 0.00 0.00 52.55 53.04 2kb2 s ASP 99 Cb -0.22 -2.57 1.94 0.00 -0.30 0.00 0.00 42.92 41.78 2kb2 s ASP 99 CO -0.06 -3.82 2.16 -0.07 -0.17 0.00 0.00 175.17 173.21 2kb2 h LEU 100 N 21.32 0.00 -1.75 -1.34 3.38 0.38 0.16 115.31 137.46 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 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kb2 h LEU 100 CO 1.06 0.00 0.15 0.03 0.09 0.00 0.00 178.44 179.77 2kb2 h ARG 101 N 0.00 0.00 0.04 1.13 3.08 -1.82 -1.40 114.38 115.42 2kb2 h ARG 101 Ca 0.03 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.74 2kb2 h ARG 101 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2kb2 h ARG 101 CO -0.00 0.00 -1.91 1.28 -1.07 0.00 0.00 179.97 178.27 2kb2 n LEU 102 N -2.52 2.32 0.00 3.04 4.77 0.58 -5.01 117.00 120.17 2kb2 n LEU 102 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kb2 n LEU 102 Cb 0.19 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2kb2 n LEU 102 CO 0.12 0.63 0.00 0.49 -1.33 0.00 0.00 177.39 177.29 2kb2 n PHE 103 N -3.90 0.00 -2.81 -1.77 3.72 -0.53 -5.06 117.46 107.11 2kb2 n PHE 103 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2kb2 n PHE 103 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 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 0.41 -1.08 0.28 -1.26 -4.84 120.64 114.16 2kb2 n GLU 104 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 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 0.00 0.00 3.84 2.02 -1.94 0.99 112.91 117.82 2kb2 h THR 105 Ca 0.00 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 2kb2 h THR 105 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2kb2 h THR 105 CO 0.00 0.00 -0.34 0.44 0.37 0.00 0.00 175.52 175.99 2kb2 h ASP 106 N -1.29 0.00 0.25 4.18 3.32 -1.98 -2.90 116.42 117.99 2kb2 h ASP 106 Ca -0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2kb2 h ASP 106 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2kb2 h ASP 106 CO 0.18 0.34 -0.12 1.23 -1.72 0.00 0.00 179.24 179.15 2kb2 h GLY 107 N 2.78 -0.35 -0.01 2.75 0.00 -1.93 -2.56 103.07 103.75 2kb2 h GLY 107 Ca -0.00 0.13 0.15 0.00 0.00 0.00 0.00 47.33 47.61 2kb2 h GLY 107 CO 0.04 -0.13 0.18 0.00 0.00 0.00 0.00 176.54 176.64 2kb2 h ALA 108 N -1.52 0.92 -0.60 3.60 0.00 -0.91 0.14 119.26 120.90 2kb2 h ALA 108 Ca -0.03 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2kb2 h ALA 108 Cb 0.26 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2kb2 h ALA 108 CO 0.06 -0.32 0.27 1.25 0.00 0.00 0.00 179.25 180.50 2kb2 h LEU 109 N 0.28 0.33 -0.62 0.00 5.85 -1.61 -1.04 115.31 118.49 2kb2 h LEU 109 Ca 0.40 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.22 2kb2 h LEU 109 Cb 0.66 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2kb2 h LEU 109 CO -0.48 0.21 0.35 -0.33 -0.34 0.00 0.00 178.44 177.85 2kb2 h GLU 110 N 0.49 0.66 -0.46 1.25 5.08 -0.32 -2.68 114.58 118.59 2kb2 h GLU 110 Ca 0.29 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2kb2 h GLU 110 Cb 0.29 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 2kb2 h GLU 110 CO -0.25 0.43 -0.51 0.93 -1.00 0.00 0.00 179.01 178.61 2kb2 h GLU 111 N 0.68 -0.33 -0.53 2.33 3.07 -0.07 0.47 114.58 120.19 2kb2 h GLU 111 Ca 0.27 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.23 2kb2 h GLU 111 Cb 0.12 0.08 -0.10 0.00 -0.84 0.00 0.00 28.75 28.00 2kb2 h GLU 111 CO -0.15 -0.22 -0.47 0.82 -1.40 0.00 0.00 179.01 177.59 2kb2 h ILE 112 N -0.34 0.06 -0.73 3.13 5.03 -1.18 0.37 117.51 123.85 2kb2 h ILE 112 Ca 0.11 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 65.00 2kb2 h ILE 112 Cb 0.58 0.06 -0.10 0.00 -3.03 0.00 0.00 36.82 34.33 2kb2 h ILE 112 CO -0.62 0.00 0.20 -0.07 -0.68 0.00 0.00 178.15 176.98 2kb2 h LEU 113 N -0.28 0.06 -0.92 1.44 4.07 -0.96 1.45 115.31 120.18 2kb2 h LEU 113 Ca 0.15 0.14 0.20 0.00 0.08 0.00 0.00 57.88 58.44 2kb2 h LEU 113 Cb 0.57 0.17 -0.11 0.00 1.08 0.00 0.00 40.66 42.37 2kb2 h LEU 113 CO -0.66 -0.01 0.48 0.03 -1.08 0.00 0.00 178.44 177.21 2kb2 h ARG 114 N 0.30 0.55 -0.11 1.13 3.08 0.12 -2.36 114.38 117.10 2kb2 h ARG 114 Ca 0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2kb2 h ARG 114 Cb 0.67 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2kb2 h ARG 114 CO -0.48 0.37 0.00 1.97 -1.07 0.00 0.00 179.97 180.76 2kb2 n PHE 115 N -4.91 0.15 0.05 3.04 1.16 -0.31 -4.61 117.46 112.02 2kb2 n PHE 115 Ca 0.22 -0.50 -0.08 0.00 -1.87 0.00 0.00 57.45 55.21 2kb2 n PHE 115 Cb 0.58 -0.04 -0.13 0.00 -1.61 0.00 0.00 39.48 38.28 2kb2 n PHE 115 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2kb2 h SER 116 N 0.63 0.05 -1.11 5.98 0.87 0.25 -3.45 113.55 116.77 2kb2 h SER 116 Ca 0.00 -0.06 -0.28 0.00 -1.23 0.00 0.00 61.79 60.23 2kb2 h SER 116 Cb 0.58 -0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 62.41 2kb2 h SER 116 CO 0.00 1.04 -0.25 0.35 -0.53 0.00 0.00 176.83 177.44 2kb2 n THR 117 N -3.31 0.00 -1.57 2.23 -2.24 -1.22 -4.26 114.28 103.91 2kb2 n THR 117 Ca -0.04 0.00 -0.56 0.00 -2.27 0.00 0.00 64.05 61.18 2kb2 n THR 117 Cb 0.97 -1.38 -0.08 0.00 -2.10 0.00 0.00 70.33 67.74 2kb2 n THR 117 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2kb2 n PHE 118 N -1.96 1.80 -0.46 4.78 -1.74 -1.26 -4.81 117.46 113.81 2kb2 n PHE 118 Ca -0.14 0.48 0.03 0.00 -0.56 0.00 0.00 57.45 57.27 2kb2 n PHE 118 Cb 0.49 -2.46 0.05 0.00 1.52 0.00 0.00 39.48 39.07 2kb2 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2kb2 n GLY 119 N 5.40 3.30 0.65 4.97 0.00 -1.26 -5.05 105.19 113.20 2kb2 n GLY 119 Ca 0.35 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 2kb2 n GLY 119 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kb2 n VAL 120 N -0.78 0.00 0.31 1.61 0.24 -1.26 -4.94 118.33 113.51 2kb2 n VAL 120 Ca 0.05 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.34 62.15 2kb2 n VAL 120 Cb 0.40 -0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 32.16 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2kb2 h THR 121 N -2.10 0.33 -1.45 3.34 2.02 -2.04 -3.45 112.91 109.57 2kb2 h THR 121 Ca -0.08 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.22 2kb2 h THR 121 Cb 0.26 0.33 -0.25 0.00 -1.74 0.00 0.00 68.15 66.75 2kb2 h THR 121 CO 0.05 0.00 0.25 -1.83 0.37 0.00 0.00 175.52 174.36 2kb2 s GLU 122 N -6.04 0.40 0.00 6.66 -1.05 -1.26 -5.02 118.70 112.39 2kb2 s GLU 122 Ca -0.17 0.81 0.10 0.00 -0.15 0.00 0.00 54.97 55.56 2kb2 s GLU 122 Cb 0.04 0.28 0.49 0.00 -0.44 0.00 0.00 34.13 34.50 2kb2 s GLU 122 CO 0.63 -0.10 1.18 -0.35 0.95 0.00 0.00 175.26 177.56 2kb2 n PRO 123 N 4.34 0.15 0.00 -4.83 -0.04 -1.26 -3.86 135.00 129.50 2kb2 n PRO 123 Ca -0.15 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2kb2 n PRO 123 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kb2 n VAL 124 N -1.27 0.00 -0.64 0.52 0.31 -1.26 -3.37 118.33 112.61 2kb2 n VAL 124 Ca 0.05 1.02 -0.05 0.00 -0.01 0.00 0.00 64.34 65.35 2kb2 n VAL 124 Cb 0.07 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 30.99 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 -0.58 5.56 -4.62 4.52 0.23 -1.25 -4.80 115.26 114.31 2kb2 n ASN 125 Ca 0.00 -2.55 -0.41 0.00 -0.53 0.00 0.00 54.58 51.10 2kb2 n ASN 125 Cb 0.00 -1.15 -0.06 0.00 -2.08 0.00 0.00 39.78 36.49 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 1.65 6.57 0.25 0.53 -1.08 -1.22 -4.96 116.67 118.40 2kb2 s ASP 126 Ca 0.14 0.69 -0.07 0.00 -0.52 0.00 0.00 52.55 52.78 2kb2 s ASP 126 Cb 0.08 -2.33 0.43 0.00 -1.46 0.00 0.00 42.92 39.64 2kb2 s ASP 126 CO -0.01 -0.37 1.63 0.03 0.52 0.00 0.00 175.17 176.97 2kb2 h ARG 127 N 7.91 0.08 0.21 4.34 2.47 -1.92 -0.22 114.38 127.26 2kb2 h ARG 127 Ca -0.27 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 2kb2 h ARG 127 Cb 1.12 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2kb2 h ARG 127 CO 0.77 0.05 -0.10 1.98 0.56 0.00 0.00 179.97 183.23 2kb2 h MET 128 N 0.08 -0.27 -0.26 0.04 1.85 -1.95 -2.27 114.93 112.16 2kb2 h MET 128 Ca 0.41 0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.60 2kb2 h MET 128 Cb 0.72 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.81 2kb2 h MET 128 CO -0.69 -0.16 0.30 0.35 -0.40 0.00 0.00 176.91 176.30 2kb2 h PHE 129 N -0.31 0.00 -0.53 1.39 3.57 -1.42 -1.30 116.94 118.35 2kb2 h PHE 129 Ca -0.03 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.54 2kb2 h PHE 129 Cb 0.24 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 2kb2 h PHE 129 CO -0.06 0.00 0.20 0.00 -2.23 0.00 0.00 178.31 176.22 2kb2 h ARG 130 N 0.00 0.37 0.18 1.11 2.47 -0.48 0.22 114.38 118.25 2kb2 h ARG 130 Ca 0.12 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 58.57 2kb2 h ARG 130 Cb 0.71 -0.08 0.03 0.00 -1.65 0.00 0.00 29.97 28.97 2kb2 h ARG 130 CO -0.00 0.25 -1.14 -0.07 0.56 0.00 0.00 179.97 179.57 2kb2 h LEU 131 N 0.38 0.61 -0.06 3.04 -0.00 -1.37 -3.12 115.31 114.80 2kb2 h LEU 131 Ca 0.25 -0.93 0.03 0.00 -0.00 0.00 0.00 57.88 57.23 2kb2 h LEU 131 Cb 0.27 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 40.67 2kb2 h LEU 131 CO -0.25 1.54 -0.49 0.25 -0.00 0.00 0.00 178.44 179.50 2kb2 h LEU 132 N -0.16 -1.51 -1.46 1.67 5.85 -1.06 -0.09 115.31 118.55 2kb2 h LEU 132 Ca -0.20 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kb2 h LEU 132 Cb 1.86 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 43.48 2kb2 h LEU 132 CO 0.19 -0.48 -0.04 0.77 -0.34 0.00 0.00 178.44 178.54 2kb2 h SER 133 N -0.59 0.00 0.65 1.25 4.64 -1.13 -1.76 113.55 116.61 2kb2 h SER 133 Ca 0.04 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 2kb2 h SER 133 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 2kb2 h SER 133 CO -0.38 0.04 -0.64 0.00 -0.87 0.00 0.00 176.83 174.98 2kb2 h ALA 134 N 1.96 0.94 0.09 5.18 0.00 -1.08 0.21 119.26 126.55 2kb2 h ALA 134 Ca -0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 54.91 54.04 2kb2 h ALA 134 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kb2 h ALA 134 CO 0.01 0.80 -1.44 0.35 0.00 0.00 0.00 179.25 178.96 2kb2 h PHE 135 N 0.00 0.35 -0.06 0.00 3.57 -0.64 0.15 116.94 120.31 2kb2 h PHE 135 Ca -0.01 -0.26 -0.12 0.00 3.53 0.00 0.00 57.97 61.12 2kb2 h PHE 135 Cb 1.14 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2kb2 h PHE 135 CO 0.00 1.28 -0.50 0.82 -2.23 0.00 0.00 178.31 177.68 2kb2 h ILE 136 N 0.05 1.35 0.00 1.41 5.03 -1.25 0.20 117.51 124.31 2kb2 h ILE 136 Ca -0.20 -1.74 -0.03 0.00 -0.12 0.00 0.00 64.86 62.77 2kb2 h ILE 136 Cb 1.98 1.87 -0.00 0.00 -3.03 0.00 0.00 36.82 37.63 2kb2 h ILE 136 CO 0.15 0.51 -0.44 0.00 -0.68 0.00 0.00 178.15 177.69 2kb2 h ALA 137 N 1.36 0.03 0.00 1.87 0.00 -0.63 -3.31 119.26 118.57 2kb2 h ALA 137 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 2kb2 h ALA 137 Cb 0.93 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2kb2 h ALA 137 CO 0.07 0.38 -2.32 -0.25 0.00 0.00 0.00 179.25 177.14 2kb2 n ASP 138 N -4.64 0.02 0.00 0.00 9.92 0.47 -4.26 116.55 118.06 2kb2 n ASP 138 Ca -0.08 0.01 0.08 0.00 -0.53 0.00 0.00 54.79 54.27 2kb2 n ASP 138 Cb 0.25 1.10 0.43 0.00 -0.64 0.00 0.00 41.12 42.27 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kb2 n GLY 139 N 1.68 -0.79 1.57 0.44 0.00 0.61 -3.20 105.19 105.49 2kb2 n GLY 139 Ca -0.29 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 0.12 3.18 5.06 -0.02 0.00 -0.66 -4.72 105.19 108.15 2kb2 n GLY 140 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.04 0.00 -4.07 1.61 5.12 -1.19 -4.48 116.66 113.61 2kb2 n ARG 141 Ca 0.25 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 56.05 2kb2 n ARG 141 Cb 0.90 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 32.09 2kb2 n ARG 141 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2kb2 s TYR 142 N 0.00 0.63 -0.02 -1.55 1.13 -1.26 -5.01 117.35 111.27 2kb2 s TYR 142 Ca 0.00 -0.60 -0.30 0.00 -1.41 0.00 0.00 57.07 54.75 2kb2 s TYR 142 Cb 0.00 -0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 40.43 2kb2 s TYR 142 CO 0.00 -0.13 1.36 0.00 -2.51 0.00 0.00 175.55 174.27 2kb2 n LEU 144 N 5.40 2.64 -4.52 0.00 7.99 -1.26 -4.86 117.00 122.39 2kb2 n LEU 144 Ca 0.13 0.83 -0.43 0.00 -0.01 0.00 0.00 56.01 56.52 2kb2 n LEU 144 Cb 0.44 -1.32 -0.00 0.00 -0.11 0.00 0.00 43.42 42.43 2kb2 n LEU 144 CO 0.58 -2.13 0.32 -2.65 -1.51 0.00 0.00 177.39 172.00 2kb2 n PRO 145 N -0.52 0.90 -3.14 3.23 -0.02 -1.26 -4.98 135.00 129.21 2kb2 n PRO 145 Ca 0.12 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.73 2kb2 n PRO 145 Cb 0.46 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.60 0.43 -2.44 -0.52 2.13 -1.26 -5.14 120.64 114.44 2kb2 n GLU 146 Ca 0.11 -2.77 -0.39 0.00 0.66 0.00 0.00 57.16 54.77 2kb2 n GLU 146 Cb 0.35 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.51 2kb2 n GLU 146 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2kb2 s PRO 147 N 0.07 4.35 0.00 5.31 0.02 -1.26 -5.31 135.00 138.19 2kb2 s PRO 147 Ca 0.33 1.74 0.00 0.00 0.02 0.00 0.00 61.00 63.09 2kb2 s PRO 147 Cb 0.07 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.72 2kb2 s PRO 147 CO -0.15 -0.03 0.00 -0.11 -0.33 0.00 0.00 177.00 176.37