#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb2 s GLU 2 N 0.00 2.05 -0.02 1.61 0.41 -1.26 -5.13 118.70 116.36 2kb2 s GLU 2 Ca 0.00 -1.59 0.07 0.00 -0.41 0.00 0.00 54.97 53.04 2kb2 s GLU 2 Cb 0.00 -2.55 -0.02 0.00 -1.78 0.00 0.00 34.13 29.78 2kb2 s GLU 2 CO 0.00 -1.10 -0.23 0.12 -0.49 0.00 0.00 175.26 173.55 2kb2 s PHE 3 N -2.83 2.12 1.27 1.61 5.36 -1.26 -5.14 117.98 119.11 2kb2 s PHE 3 Ca 0.64 -0.44 -0.21 0.00 -0.96 0.00 0.00 56.93 55.96 2kb2 s PHE 3 Cb -0.05 -1.37 0.32 0.00 -0.34 0.00 0.00 43.02 41.58 2kb2 s PHE 3 CO 0.41 -0.07 1.06 0.00 -1.46 0.00 0.00 175.22 175.16 2kb2 n MET 4 N 2.59 -3.46 -3.09 10.12 0.00 -1.26 -5.03 117.12 116.99 2kb2 n MET 4 Ca -0.16 -1.70 -0.13 0.00 0.00 0.00 0.00 57.70 55.71 2kb2 n MET 4 Cb 0.52 -1.68 -0.03 0.00 0.00 0.00 0.00 33.22 32.03 2kb2 n MET 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kb2 n LEU 5 N 0.00 0.00 -3.50 3.17 4.32 0.37 -4.62 117.00 116.74 2kb2 n LEU 5 Ca 0.15 -1.33 -0.13 0.00 -0.02 0.00 0.00 56.01 54.67 2kb2 n LEU 5 Cb 0.59 0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 42.59 2kb2 n LEU 5 CO 0.40 -0.19 0.35 -0.89 -1.22 0.00 0.00 177.39 175.84 2kb2 s THR 6 N -1.89 0.01 -0.36 -5.08 2.01 0.76 -0.00 115.64 111.09 2kb2 s THR 6 Ca 0.03 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2kb2 s THR 6 Cb 0.00 -1.01 0.11 0.00 0.01 0.00 0.00 72.50 71.61 2kb2 s THR 6 CO 0.02 -0.07 0.11 -0.89 -0.69 0.00 0.00 174.62 173.11 2kb2 s THR 7 N -3.04 1.67 -0.11 -0.82 2.01 0.13 0.15 115.64 115.64 2kb2 s THR 7 Ca -0.02 -2.13 -0.15 0.00 0.31 0.00 0.00 61.69 59.70 2kb2 s THR 7 Cb -0.00 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 2kb2 s THR 7 CO -0.07 -0.69 0.37 -0.22 -0.69 0.00 0.00 174.62 173.33 2kb2 s LEU 8 N 0.96 4.31 0.06 4.42 0.20 0.32 -1.95 118.68 127.01 2kb2 s LEU 8 Ca 0.12 0.70 0.06 0.00 0.69 0.00 0.00 54.13 55.70 2kb2 s LEU 8 Cb -0.20 -2.51 -0.03 0.00 -0.43 0.00 0.00 46.19 43.02 2kb2 s LEU 8 CO -0.12 0.13 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.28 2kb2 s ILE 9 N 0.12 1.26 0.18 6.68 1.01 -0.18 -0.30 121.20 129.96 2kb2 s ILE 9 Ca 0.21 -1.23 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 2kb2 s ILE 9 Cb -0.14 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.17 2kb2 s ILE 9 CO 0.08 -0.08 0.38 -0.72 0.00 0.00 0.00 174.94 174.59 2kb2 s TYR 10 N -1.07 0.20 -0.03 3.97 -0.85 -0.87 0.13 117.35 118.83 2kb2 s TYR 10 Ca 0.01 -0.56 0.01 0.00 -0.52 0.00 0.00 57.07 56.02 2kb2 s TYR 10 Cb -0.09 0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.38 2kb2 s TYR 10 CO 0.02 -0.80 -0.03 1.03 -1.52 0.00 0.00 175.55 174.25 2kb2 s ARG 11 N -3.93 0.54 0.00 -3.49 0.52 -0.30 -1.34 118.95 110.94 2kb2 s ARG 11 Ca 0.14 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 2kb2 s ARG 11 Cb 0.02 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.90 2kb2 s ARG 11 CO -0.01 -0.04 0.00 -1.13 0.02 0.00 0.00 175.30 174.14 2kb2 n SER 12 N 3.75 0.93 0.00 0.23 3.41 -0.66 0.38 113.62 121.66 2kb2 n SER 12 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2kb2 n SER 12 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -3.17 4.33 6.02 -1.26 -2.46 117.38 121.95 2kb2 n GLN 13 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 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 -3.16 5.09 3.14 0.45 -4.02 118.33 119.84 2kb2 n VAL 14 Ca 0.00 -0.39 -0.45 0.00 -2.96 0.00 0.00 64.34 60.53 2kb2 n VAL 14 Cb 0.00 0.55 -0.04 0.00 -1.06 0.00 0.00 33.84 33.29 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 -3.22 3.24 0.66 1.45 3.76 -1.21 -4.77 115.29 115.21 2kb2 s HIS 15 Ca 0.16 -1.34 0.31 0.00 -0.15 0.00 0.00 55.06 54.05 2kb2 s HIS 15 Cb -0.02 -3.99 1.71 0.00 1.11 0.00 0.00 32.58 31.39 2kb2 s HIS 15 CO 0.04 -1.22 1.97 -1.00 -0.85 0.00 0.00 174.74 173.67 2kb2 h PRO 16 N 8.73 0.00 0.03 8.40 0.13 -1.93 -1.28 132.00 146.09 2kb2 h PRO 16 Ca -0.11 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.80 2kb2 h PRO 16 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2kb2 h PRO 16 CO 1.01 0.00 -1.16 0.22 -0.23 0.00 0.00 178.00 177.84 2kb2 h ASP 17 N 0.00 0.11 -3.26 1.44 1.82 -2.01 -3.48 116.42 111.05 2kb2 h ASP 17 Ca 0.00 -0.69 -0.43 0.00 -0.39 0.00 0.00 57.03 55.52 2kb2 h ASP 17 Cb 0.59 -0.04 0.21 0.00 0.68 0.00 0.00 39.33 40.78 2kb2 h ASP 17 CO 0.00 1.47 0.01 -0.13 -1.61 0.00 0.00 179.24 178.98 2kb2 s ARG 18 N -2.38 -1.15 0.92 0.28 0.52 -0.48 -5.04 118.95 111.63 2kb2 s ARG 18 Ca -0.25 0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 55.50 2kb2 s ARG 18 Cb 0.04 -1.54 0.18 0.00 0.52 0.00 0.00 34.95 34.15 2kb2 s ARG 18 CO 0.66 -3.83 1.27 -1.25 0.02 0.00 0.00 175.30 172.17 2kb2 s PRO 19 N -4.58 0.88 0.97 3.54 0.05 -1.26 -4.91 135.00 129.69 2kb2 s PRO 19 Ca 0.68 -0.43 -0.13 0.00 0.05 0.00 0.00 61.00 61.17 2kb2 s PRO 19 Cb -0.23 -1.91 0.05 0.00 0.05 0.00 0.00 34.50 32.46 2kb2 s PRO 19 CO 0.63 -2.23 0.37 -2.30 0.05 0.00 0.00 177.00 173.52 2kb2 n PRO 20 N -3.62 -0.48 -3.24 0.56 -0.02 -1.26 -4.95 135.00 121.98 2kb2 n PRO 20 Ca 0.14 -0.10 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 2kb2 n PRO 20 Cb 0.60 -1.85 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 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 -2.38 4.86 -1.30 -1.45 1.01 -1.26 -4.97 120.40 114.91 2kb2 s VAL 21 Ca 0.57 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 2kb2 s VAL 21 Cb -0.20 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2kb2 s VAL 21 CO 0.67 -0.21 2.71 0.47 0.00 0.00 0.00 175.10 178.74 2kb2 n ASP 22 N -0.50 8.05 0.00 3.32 9.92 -1.26 -4.73 116.55 131.36 2kb2 n ASP 22 Ca 0.01 -2.89 0.00 0.00 -0.53 0.00 0.00 54.79 51.38 2kb2 n ASP 22 Cb 0.53 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2kb2 n LEU 23 N 2.41 0.00 -0.12 0.64 4.77 -1.26 0.16 117.00 123.60 2kb2 n LEU 23 Ca 0.67 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.43 2kb2 n LEU 23 Cb 0.30 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2kb2 n LEU 23 CO 0.69 0.00 -1.33 0.47 -1.33 0.00 0.00 177.39 175.89 2kb2 n ASP 24 N -0.69 1.99 0.08 -1.43 9.92 -1.26 -4.24 116.55 120.92 2kb2 n ASP 24 Ca 0.00 0.07 0.01 0.00 -0.53 0.00 0.00 54.79 54.34 2kb2 n ASP 24 Cb 0.00 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 39.89 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 -0.42 0.64 -0.55 2.24 0.00 -0.30 -2.86 119.26 118.01 2kb2 h ALA 25 Ca -0.59 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 53.53 2kb2 h ALA 25 Cb 1.71 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2kb2 h ALA 25 CO -0.23 0.81 -0.09 1.25 0.00 0.00 0.00 179.25 180.99 2kb2 h LEU 26 N 0.00 1.03 0.10 0.00 6.46 0.14 -2.86 115.31 120.18 2kb2 h LEU 26 Ca -0.09 -0.34 -0.31 0.00 -0.12 0.00 0.00 57.88 57.02 2kb2 h LEU 26 Cb 1.51 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 2kb2 h LEU 26 CO 0.06 1.13 -1.57 1.62 -0.62 0.00 0.00 178.44 179.06 2kb2 h VAL 27 N 0.92 1.09 0.26 1.05 3.04 -1.74 -3.29 116.25 117.59 2kb2 h VAL 27 Ca 0.15 -2.77 0.01 0.00 -1.01 0.00 0.00 66.70 63.07 2kb2 h VAL 27 Cb 0.66 2.70 -0.04 0.00 -2.01 0.00 0.00 31.29 32.60 2kb2 h VAL 27 CO 0.05 0.79 -0.47 -0.74 -1.01 0.00 0.00 177.57 176.19 2kb2 h HIS 28 N 0.06 -1.33 0.00 3.17 -0.00 -1.47 0.13 115.15 115.70 2kb2 h HIS 28 Ca -0.25 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.13 2kb2 h HIS 28 Cb 2.01 0.55 -0.00 0.00 -0.00 0.00 0.00 27.41 29.96 2kb2 h HIS 28 CO 0.05 -0.59 -0.03 0.00 -0.00 0.00 0.00 177.93 177.36 2kb2 h ARG 29 N -0.81 0.00 0.19 5.26 -0.00 -1.69 -2.57 114.38 114.76 2kb2 h ARG 29 Ca -0.02 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 -0.18 0.03 -0.09 0.00 0.00 0.00 0.00 179.97 179.73 2kb2 h ALA 30 N 1.97 -0.26 -0.84 0.04 0.00 -1.30 -3.20 119.26 115.67 2kb2 h ALA 30 Ca -0.00 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.09 2kb2 h ALA 30 Cb 0.18 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2kb2 h ALA 30 CO 0.00 -0.24 0.59 1.03 0.00 0.00 0.00 179.25 180.63 2kb2 h SER 31 N -1.00 0.09 0.16 0.00 0.87 -0.73 0.37 113.55 113.30 2kb2 h SER 31 Ca -0.03 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2kb2 h SER 31 Cb 0.19 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2kb2 h SER 31 CO 0.04 0.04 -0.25 -1.28 -0.53 0.00 0.00 176.83 174.85 2kb2 h SER 32 N 0.09 0.16 0.14 6.23 0.87 -1.54 -0.15 113.55 119.36 2kb2 h SER 32 Ca 0.41 -0.05 -0.31 0.00 -1.23 0.00 0.00 61.79 60.61 2kb2 h SER 32 Cb 1.48 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2kb2 h SER 32 CO -0.05 0.42 -1.59 0.50 -0.53 0.00 0.00 176.83 175.59 2kb2 h LYS 33 N 0.15 0.31 0.00 2.24 3.64 -0.33 -3.37 116.57 119.21 2kb2 h LYS 33 Ca 0.03 -0.52 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 2kb2 h LYS 33 Cb 0.53 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2kb2 h LYS 33 CO 0.04 1.25 -0.44 -0.91 -2.27 0.00 0.00 179.45 177.11 2kb2 h ASN 34 N -0.12 0.00 0.66 4.20 4.21 -1.13 -2.83 115.58 120.58 2kb2 h ASN 34 Ca -0.33 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.15 2kb2 h ASN 34 Cb 1.91 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.11 2kb2 h ASN 34 CO 0.11 0.44 -0.44 0.25 -1.29 0.00 0.00 177.43 176.50 2kb2 h LEU 35 N 0.00 -1.14 -1.54 1.61 5.85 -1.15 0.28 115.31 119.22 2kb2 h LEU 35 Ca -0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2kb2 h LEU 35 Cb 0.89 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2kb2 h LEU 35 CO 0.06 -0.66 -0.21 1.55 -0.34 0.00 0.00 178.44 178.84 2kb2 h PRO 36 N -1.05 0.00 0.00 5.25 0.13 -1.73 -2.29 132.00 132.31 2kb2 h PRO 36 Ca -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2kb2 h PRO 36 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kb2 h PRO 36 CO 0.07 0.21 -0.12 -0.07 -0.23 0.00 0.00 178.00 177.85 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.23 -3.46 115.31 116.25 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 0.03 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 2kb2 n GLY 38 N 0.14 0.75 3.88 0.83 0.00 -0.40 -4.88 105.19 105.51 2kb2 n GLY 38 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.24 4.93 0.02 -0.61 1.01 0.84 -4.64 121.20 120.51 2kb2 s ILE 39 Ca 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 2kb2 s ILE 39 Cb 0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2kb2 s ILE 39 CO 0.00 -0.16 0.10 0.42 0.00 0.00 0.00 174.94 175.30 2kb2 s THR 40 N -1.92 0.11 -1.65 2.92 -4.23 -0.53 -3.99 115.64 106.35 2kb2 s THR 40 Ca 0.47 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2kb2 s THR 40 Cb -0.11 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.08 2kb2 s THR 40 CO 0.24 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2kb2 n GLY 41 N 1.11 -0.63 3.37 3.99 0.00 -0.49 -0.92 105.19 111.63 2kb2 n GLY 41 Ca -0.21 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.35 -0.61 2.07 -0.87 -3.41 121.20 115.73 2kb2 s ILE 42 Ca 0.00 -0.04 0.08 0.00 -1.41 0.00 0.00 60.65 59.28 2kb2 s ILE 42 Cb 0.00 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 2kb2 s ILE 42 CO 0.00 -0.02 0.28 -0.76 -1.91 0.00 0.00 174.94 172.53 2kb2 s LEU 43 N 0.06 3.51 0.02 8.50 1.43 0.07 -0.43 118.68 131.85 2kb2 s LEU 43 Ca -0.02 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 2kb2 s LEU 43 Cb -0.03 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 2kb2 s LEU 43 CO 0.01 -0.39 0.08 -0.76 0.23 0.00 0.00 176.35 175.53 2kb2 s LEU 44 N -3.99 1.81 -0.14 1.79 1.02 0.21 0.88 118.68 120.26 2kb2 s LEU 44 Ca 0.41 -0.43 -0.09 0.00 0.02 0.00 0.00 54.13 54.05 2kb2 s LEU 44 Cb -0.05 0.53 0.05 0.00 0.02 0.00 0.00 46.19 46.74 2kb2 s LEU 44 CO 0.26 -0.43 0.34 0.12 0.02 0.00 0.00 176.35 176.67 2kb2 s PHE 45 N -2.03 -0.46 0.00 0.29 5.36 -0.91 -2.01 117.98 118.22 2kb2 s PHE 45 Ca -0.10 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 2kb2 s PHE 45 Cb -0.05 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 2kb2 s PHE 45 CO -0.02 -0.27 0.78 0.27 -1.46 0.00 0.00 175.22 174.52 2kb2 n ASN 46 N 3.92 1.53 0.00 6.13 0.23 -1.17 0.29 115.26 126.19 2kb2 n ASN 46 Ca -0.21 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 2kb2 n ASN 46 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 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 -0.28 0.67 0.00 4.83 0.00 -1.26 -4.71 105.19 104.44 2kb2 n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.63 0.99 -0.00 -1.26 -4.97 117.00 107.13 2kb2 n LEU 48 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 2kb2 n LEU 48 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2kb2 n LEU 48 CO 0.00 0.00 -0.29 -1.10 -0.00 0.00 0.00 177.39 176.00 2kb2 s GLN 49 N -1.00 2.07 -0.17 1.96 -0.21 -1.26 -0.41 119.66 120.64 2kb2 s GLN 49 Ca 0.00 -1.78 -0.01 0.00 0.02 0.00 0.00 55.36 53.59 2kb2 s GLN 49 Cb 0.00 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 32.15 2kb2 s GLN 49 CO 0.00 0.11 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.17 2kb2 s PHE 50 N -2.54 1.70 -0.22 0.91 0.08 -1.03 -3.03 117.98 113.84 2kb2 s PHE 50 Ca 0.35 -1.12 -0.09 0.00 0.12 0.00 0.00 56.93 56.19 2kb2 s PHE 50 Cb 0.01 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 2kb2 s PHE 50 CO 0.19 -0.63 0.11 0.12 -0.10 0.00 0.00 175.22 174.91 2kb2 s PHE 51 N 1.63 3.24 -0.13 0.36 5.36 -0.85 -1.65 117.98 125.94 2kb2 s PHE 51 Ca -0.00 0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 2kb2 s PHE 51 Cb -0.16 -2.20 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2kb2 s PHE 51 CO -0.08 0.00 -0.14 -1.14 -1.46 0.00 0.00 175.22 172.41 2kb2 s GLN 52 N 0.95 2.23 -0.61 10.12 2.00 -0.45 0.66 119.66 134.56 2kb2 s GLN 52 Ca 0.05 -0.54 -0.19 0.00 -2.00 0.00 0.00 55.36 52.68 2kb2 s GLN 52 Cb -0.14 -2.01 0.11 0.00 0.80 0.00 0.00 33.01 31.77 2kb2 s GLN 52 CO 0.03 -0.18 0.72 0.08 -0.50 0.00 0.00 175.29 175.44 2kb2 s VAL 53 N 1.33 4.82 -0.17 1.34 1.01 0.43 -2.06 120.40 127.11 2kb2 s VAL 53 Ca 0.01 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2kb2 s VAL 53 Cb -0.13 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2kb2 s VAL 53 CO -0.08 -1.14 0.04 -0.22 0.00 0.00 0.00 175.10 173.70 2kb2 s LEU 54 N 2.66 3.68 -0.13 3.92 2.96 0.59 -2.05 118.68 130.30 2kb2 s LEU 54 Ca 0.12 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2kb2 s LEU 54 Cb -0.23 -1.91 0.06 0.00 0.50 0.00 0.00 46.19 44.60 2kb2 s LEU 54 CO 0.06 0.19 0.13 -1.83 -1.32 0.00 0.00 176.35 173.57 2kb2 s GLU 55 N 0.27 0.05 0.00 1.98 -1.05 -0.10 0.12 118.70 119.97 2kb2 s GLU 55 Ca 0.02 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 2kb2 s GLU 55 Cb -0.13 -1.01 0.00 0.00 -0.44 0.00 0.00 34.13 32.55 2kb2 s GLU 55 CO 0.01 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.13 2kb2 n GLY 56 N 5.30 0.67 3.65 -3.83 0.00 0.39 -1.45 105.19 109.91 2kb2 n GLY 56 Ca -0.05 -0.77 -0.48 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 0.04 -0.35 2.61 -2.24 -1.26 -0.17 114.28 112.91 2kb2 n THR 57 Ca 0.00 -0.01 0.17 0.00 -2.27 0.00 0.00 64.05 61.94 2kb2 n THR 57 Cb 0.00 -1.32 0.38 0.00 -2.10 0.00 0.00 70.33 67.29 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 5.69 0.59 -0.42 -0.78 4.81 -1.86 0.47 114.58 123.08 2kb2 h GLU 58 Ca -0.46 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2kb2 h GLU 58 Cb 1.28 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2kb2 h GLU 58 CO 0.86 0.39 0.24 1.05 -0.73 0.00 0.00 179.01 180.82 2kb2 h GLU 59 N 0.61 0.56 0.17 1.92 4.11 -1.99 -1.40 114.58 118.56 2kb2 h GLU 59 Ca 0.63 -0.05 -0.31 0.00 0.07 0.00 0.00 59.36 59.70 2kb2 h GLU 59 Cb 1.17 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 30.33 2kb2 h GLU 59 CO -0.44 0.41 -1.32 0.00 0.07 0.00 0.00 179.01 177.73 2kb2 h ALA 60 N 1.69 -0.03 -0.79 1.06 0.00 -0.51 -3.15 119.26 117.54 2kb2 h ALA 60 Ca 0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2kb2 h ALA 60 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2kb2 h ALA 60 CO -0.03 0.74 0.45 -0.07 0.00 0.00 0.00 179.25 180.34 2kb2 h LEU 61 N 0.20 0.96 0.82 0.00 3.38 -0.49 0.80 115.31 120.98 2kb2 h LEU 61 Ca -0.20 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2kb2 h LEU 61 Cb 2.00 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.52 2kb2 h LEU 61 CO 0.25 0.76 -0.40 -0.08 0.09 0.00 0.00 178.44 179.06 2kb2 h GLU 62 N 1.08 -1.07 -0.43 1.13 4.22 -1.36 0.11 114.58 118.26 2kb2 h GLU 62 Ca 0.28 0.07 0.05 0.00 0.08 0.00 0.00 59.36 59.84 2kb2 h GLU 62 Cb -0.00 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2kb2 h GLU 62 CO -0.05 -0.70 0.18 0.77 -2.18 0.00 0.00 179.01 177.02 2kb2 h SER 63 N -1.16 0.21 0.44 1.04 0.02 -1.49 0.23 113.55 112.84 2kb2 h SER 63 Ca -0.11 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2kb2 h SER 63 Cb 0.86 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2kb2 h SER 63 CO 0.19 0.16 -0.24 0.25 -1.14 0.00 0.00 176.83 176.05 2kb2 h LEU 64 N 0.36 -0.58 -1.97 5.07 7.12 -0.80 0.18 115.31 124.69 2kb2 h LEU 64 Ca 0.20 0.03 0.29 0.00 0.13 0.00 0.00 57.88 58.52 2kb2 h LEU 64 Cb 0.16 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.41 2kb2 h LEU 64 CO -0.18 -0.38 0.74 0.15 -0.13 0.00 0.00 178.44 178.64 2kb2 h PHE 65 N -0.62 0.00 0.00 1.25 3.57 -0.71 0.97 116.94 121.40 2kb2 h PHE 65 Ca -0.06 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 2kb2 h PHE 65 Cb 0.48 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2kb2 h PHE 65 CO 0.06 0.00 -0.84 1.03 -2.23 0.00 0.00 178.31 176.33 2kb2 h SER 66 N 0.00 0.08 0.47 0.41 0.87 0.14 -2.81 113.55 112.71 2kb2 h SER 66 Ca 0.47 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.86 2kb2 h SER 66 Cb 1.95 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 2kb2 h SER 66 CO -0.00 0.88 -0.50 -0.33 -0.53 0.00 0.00 176.83 176.35 2kb2 h GLU 67 N 0.03 0.03 0.62 2.24 4.39 0.40 -3.15 114.58 119.13 2kb2 h GLU 67 Ca -0.02 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2kb2 h GLU 67 Cb 1.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.14 2kb2 h GLU 67 CO 0.12 0.52 -0.30 0.82 -1.16 0.00 0.00 179.01 179.01 2kb2 h ILE 68 N 0.02 0.30 0.00 3.13 5.03 -0.92 -2.60 117.51 122.47 2kb2 h ILE 68 Ca -0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 2kb2 h ILE 68 Cb 0.89 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 2kb2 h ILE 68 CO 0.07 0.03 0.00 0.00 -0.68 0.00 0.00 178.15 177.57 2kb2 n GLN 69 N -5.38 0.01 -0.47 2.37 6.02 -1.08 -0.03 117.38 118.81 2kb2 n GLN 69 Ca -0.12 0.51 0.08 0.00 -0.01 0.00 0.00 57.00 57.46 2kb2 n GLN 69 Cb 0.36 -1.54 0.30 0.00 1.02 0.00 0.00 30.24 30.37 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kb2 n SER 70 N -1.55 3.90 -4.91 1.08 2.88 -0.98 -4.93 113.62 109.10 2kb2 n SER 70 Ca -0.00 -2.29 -0.32 0.00 -1.33 0.00 0.00 58.87 54.94 2kb2 n SER 70 Cb 0.01 -0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 62.92 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kb2 s ASP 71 N -0.87 6.42 -0.00 -3.46 1.01 0.95 -5.04 116.67 115.69 2kb2 s ASP 71 Ca 0.43 0.42 0.01 0.00 0.71 0.00 0.00 52.55 54.11 2kb2 s ASP 71 Cb 0.26 -2.02 -0.26 0.00 1.01 0.00 0.00 42.92 41.91 2kb2 s ASP 71 CO 0.22 0.14 0.83 1.55 0.21 0.00 0.00 175.17 178.13 2kb2 h PRO 72 N 3.14 0.18 0.00 8.23 0.13 -1.92 -3.42 132.00 138.34 2kb2 h PRO 72 Ca -0.46 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 2kb2 h PRO 72 Cb 1.17 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kb2 h PRO 72 CO 0.73 0.99 0.00 -2.13 -0.23 0.00 0.00 178.00 177.37 2kb2 n ARG 73 N -3.37 0.00 0.00 0.86 0.63 -1.26 -4.68 116.66 108.84 2kb2 n ARG 73 Ca -0.16 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2kb2 n ARG 73 Cb 1.03 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 33.01 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 -0.68 -0.68 0.15 -0.14 1.44 -1.26 -3.30 115.22 110.76 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 -1.21 -1.40 1.85 -1.26 -4.65 116.66 110.00 2kb2 n ARG 75 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 2kb2 n ARG 75 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 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 -3.17 5.92 -4.77 2.89 2.03 -1.26 -4.84 116.55 113.35 2kb2 n ASP 76 Ca 0.00 -2.87 -0.41 0.00 0.52 0.00 0.00 54.79 52.04 2kb2 n ASP 76 Cb 0.00 -1.29 -0.01 0.00 -0.72 0.00 0.00 41.12 39.10 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 -0.83 2.39 -0.11 5.18 0.11 -1.24 -3.99 120.40 121.92 2kb2 s VAL 77 Ca 0.58 0.39 -0.07 0.00 -2.93 0.00 0.00 61.98 59.95 2kb2 s VAL 77 Cb 0.33 -3.25 0.04 0.00 -1.53 0.00 0.00 36.38 31.97 2kb2 s VAL 77 CO -0.11 0.09 0.26 0.54 -3.33 0.00 0.00 175.10 172.56 2kb2 s VAL 78 N -1.06 -0.02 -0.28 2.04 0.11 0.16 -4.88 120.40 116.46 2kb2 s VAL 78 Ca 0.51 0.08 -0.28 0.00 -2.93 0.00 0.00 61.98 59.37 2kb2 s VAL 78 Cb -0.43 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2kb2 s VAL 78 CO 0.57 0.03 2.02 -0.70 -3.33 0.00 0.00 175.10 173.69 2kb2 s GLU 79 N 0.82 3.20 -0.06 1.54 2.12 -1.26 -1.16 118.70 123.89 2kb2 s GLU 79 Ca -0.06 1.71 -0.09 0.00 0.36 0.00 0.00 54.97 56.89 2kb2 s GLU 79 Cb -0.07 -4.29 -0.29 0.00 0.26 0.00 0.00 34.13 29.74 2kb2 s GLU 79 CO -0.05 -2.02 0.60 -0.07 -0.54 0.00 0.00 175.26 173.17 2kb2 h LEU 80 N 14.54 0.53 -8.40 2.70 4.07 0.79 -3.48 115.31 126.06 2kb2 h LEU 80 Ca -0.37 -0.89 -0.15 0.00 0.08 0.00 0.00 57.88 56.55 2kb2 h LEU 80 Cb 1.20 -0.17 -0.11 0.00 1.08 0.00 0.00 40.66 42.66 2kb2 h LEU 80 CO 1.00 1.77 -0.31 -0.32 -1.08 0.00 0.00 178.44 179.50 2kb2 s MET 81 N -2.58 1.46 0.00 1.13 1.75 0.89 -4.88 119.30 117.07 2kb2 s MET 81 Ca -0.17 -1.45 0.00 0.00 -1.25 0.00 0.00 55.69 52.82 2kb2 s MET 81 Cb 0.06 0.39 0.00 0.00 2.84 0.00 0.00 34.83 38.12 2kb2 s MET 81 CO 0.83 -0.57 0.00 -2.13 -0.65 0.00 0.00 175.02 172.50 2kb2 n ARG 82 N -0.36 0.00 -4.54 4.11 0.63 -0.94 -1.01 116.66 114.55 2kb2 n ARG 82 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2kb2 n ARG 82 Cb 0.63 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 3.57 0.61 6.15 2.15 -0.82 -4.88 116.67 123.45 2kb2 s ASP 83 Ca 0.00 -0.58 -0.18 0.00 0.43 0.00 0.00 52.55 52.22 2kb2 s ASP 83 Cb 0.00 -0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 42.16 2kb2 s ASP 83 CO 0.00 0.22 1.20 -0.31 -0.17 0.00 0.00 175.17 176.10 2kb2 s TYR 84 N -1.00 2.39 0.34 -5.34 2.02 -1.26 0.23 117.35 114.73 2kb2 s TYR 84 Ca 0.15 1.53 -0.07 0.00 -0.37 0.00 0.00 57.07 58.31 2kb2 s TYR 84 Cb -0.10 -3.45 0.01 0.00 -0.40 0.00 0.00 41.96 38.02 2kb2 s TYR 84 CO 0.06 -2.18 0.54 -1.12 -1.57 0.00 0.00 175.55 171.28 2kb2 s SER 85 N -1.71 0.60 0.00 2.29 0.01 1.00 -4.75 113.70 111.14 2kb2 s SER 85 Ca 0.76 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2kb2 s SER 85 Cb -0.29 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2kb2 s SER 85 CO 0.34 -1.36 0.28 0.00 0.41 0.00 0.00 173.24 172.91 2kb2 n ALA 86 N -0.54 0.62 -3.60 1.44 0.00 -1.26 -0.48 120.51 116.69 2kb2 n ALA 86 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 2kb2 n ALA 86 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.04 -0.60 0.15 0.00 1.13 -1.26 -4.70 117.35 112.03 2kb2 s TYR 87 Ca 0.00 1.31 -0.19 0.00 -1.41 0.00 0.00 57.07 56.78 2kb2 s TYR 87 Cb 0.00 0.36 -0.07 0.00 -1.10 0.00 0.00 41.96 41.14 2kb2 s TYR 87 CO 0.00 -0.38 0.65 -0.98 -2.51 0.00 0.00 175.55 172.33 2kb2 s ARG 88 N -0.25 4.24 -0.25 -3.49 1.70 -1.26 -4.98 118.95 114.66 2kb2 s ARG 88 Ca -0.02 0.80 -0.01 0.00 -0.47 0.00 0.00 55.73 56.04 2kb2 s ARG 88 Cb -0.03 -3.07 -0.15 0.00 -0.57 0.00 0.00 34.95 31.13 2kb2 s ARG 88 CO 0.01 0.52 -0.24 0.54 -1.08 0.00 0.00 175.30 175.05 2kb2 n ARG 89 N 1.20 0.60 -0.12 3.89 5.12 -1.26 -4.40 116.66 121.70 2kb2 n ARG 89 Ca -0.06 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2kb2 n ARG 89 Cb 0.51 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 2kb2 n ARG 89 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kb2 n PHE 90 N -3.38 0.00 -1.62 -1.55 3.72 -1.26 -4.57 117.46 108.79 2kb2 n PHE 90 Ca -0.45 -0.60 -0.51 0.00 -0.05 0.00 0.00 57.45 55.84 2kb2 n PHE 90 Cb 0.94 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 39.12 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2kb2 n HIS 91 N 0.75 1.78 -0.00 1.38 -0.00 -1.26 -0.77 115.22 117.10 2kb2 n HIS 91 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.23 2kb2 n HIS 91 Cb 0.49 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.07 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kb2 n GLY 92 N 2.98 0.13 2.49 1.57 0.00 -1.26 -4.99 105.19 106.10 2kb2 n GLY 92 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.03 0.58 0.34 2.61 2.01 0.05 -4.99 115.64 114.21 2kb2 s THR 93 Ca 0.00 -2.47 0.11 0.00 0.31 0.00 0.00 61.69 59.64 2kb2 s THR 93 Cb 0.00 -1.42 0.33 0.00 0.01 0.00 0.00 72.50 71.42 2kb2 s THR 93 CO 0.00 -1.11 1.76 1.23 -0.69 0.00 0.00 174.62 175.81 2kb2 h GLY 94 N 6.17 1.69 -5.33 4.40 0.00 -1.79 -2.95 103.07 105.26 2kb2 h GLY 94 Ca 0.16 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.23 2kb2 h GLY 94 CO 0.37 -0.16 0.31 -0.29 0.00 0.00 0.00 176.54 176.77 2kb2 s MET 95 N -5.72 0.60 -0.27 4.80 1.75 -1.25 -1.39 119.30 117.81 2kb2 s MET 95 Ca -0.10 0.78 -0.00 0.00 -1.25 0.00 0.00 55.69 55.12 2kb2 s MET 95 Cb 0.26 0.25 0.15 0.00 2.84 0.00 0.00 34.83 38.34 2kb2 s MET 95 CO 0.80 -0.08 0.43 0.50 -0.65 0.00 0.00 175.02 176.01 2kb2 s ARG 96 N 0.58 0.41 0.90 4.11 3.00 -1.22 -4.48 118.95 122.26 2kb2 s ARG 96 Ca -0.01 0.43 -0.10 0.00 -1.00 0.00 0.00 55.73 55.05 2kb2 s ARG 96 Cb -0.05 -0.26 0.14 0.00 0.00 0.00 0.00 34.95 34.78 2kb2 s ARG 96 CO -0.07 -0.81 1.13 -1.50 0.00 0.00 0.00 175.30 174.05 2kb2 s ILE 97 N 2.59 2.27 -0.47 4.11 -1.16 -1.26 -0.75 121.20 126.54 2kb2 s ILE 97 Ca 0.12 0.09 0.03 0.00 -0.51 0.00 0.00 60.65 60.38 2kb2 s ILE 97 Cb -0.14 -2.19 0.14 0.00 0.61 0.00 0.00 42.46 40.88 2kb2 s ILE 97 CO -0.22 -0.12 0.29 -0.22 -2.81 0.00 0.00 174.94 171.86 2kb2 s LEU 98 N -6.51 2.76 -0.94 8.50 2.96 0.25 -4.71 118.68 120.99 2kb2 s LEU 98 Ca 0.66 -2.84 -0.26 0.00 -0.22 0.00 0.00 54.13 51.47 2kb2 s LEU 98 Cb -0.22 -1.02 -0.20 0.00 0.50 0.00 0.00 46.19 45.26 2kb2 s LEU 98 CO 0.58 -0.23 2.23 0.47 -1.32 0.00 0.00 176.35 178.07 2kb2 n ASP 99 N 3.25 1.43 0.28 3.68 9.92 -1.26 -2.14 116.55 131.70 2kb2 n ASP 99 Ca 0.13 -2.03 0.17 0.00 -0.53 0.00 0.00 54.79 52.53 2kb2 n ASP 99 Cb 0.37 -1.67 0.94 0.00 -0.64 0.00 0.00 41.12 40.11 2kb2 n ASP 99 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2kb2 h LEU 100 N 22.30 0.00 -1.19 0.64 3.38 -0.51 -0.00 115.31 139.93 2kb2 h LEU 100 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 1.01 0.00 0.19 0.03 0.09 0.00 0.00 178.44 179.76 2kb2 h ARG 101 N 0.00 0.00 0.03 1.13 2.47 -1.84 -0.55 114.38 115.61 2kb2 h ARG 101 Ca 0.03 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.37 2kb2 h ARG 101 Cb 0.23 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 2kb2 h ARG 101 CO -0.00 0.00 -2.24 1.28 0.56 0.00 0.00 179.97 179.57 2kb2 n LEU 102 N -2.20 2.47 0.00 3.04 4.77 -0.02 -5.02 117.00 120.05 2kb2 n LEU 102 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2kb2 n LEU 102 Cb 0.22 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2kb2 n LEU 102 CO 0.08 0.73 0.00 0.49 -1.33 0.00 0.00 177.39 177.36 2kb2 n PHE 103 N -3.75 0.00 -2.23 -1.77 3.72 -0.22 -5.05 117.46 108.17 2kb2 n PHE 103 Ca -0.44 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 2kb2 n PHE 103 Cb 0.93 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 0.43 -1.08 0.28 -1.26 -4.82 120.64 114.19 2kb2 n GLU 104 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 2kb2 n GLU 104 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 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 0.09 0.00 3.84 2.02 -1.93 0.23 112.91 117.17 2kb2 h THR 105 Ca 0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 2kb2 h THR 105 Cb 0.00 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2kb2 h THR 105 CO 0.00 0.01 -0.26 -0.78 0.37 0.00 0.00 175.52 174.86 2kb2 h ASP 106 N -1.22 0.00 0.08 4.18 3.58 -1.98 -2.80 116.42 118.26 2kb2 h ASP 106 Ca -0.11 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 2kb2 h ASP 106 Cb 0.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2kb2 h ASP 106 CO 0.18 0.26 -0.04 1.23 -2.88 0.00 0.00 179.24 177.99 2kb2 h GLY 107 N 3.39 -0.11 0.92 -0.78 0.00 -1.92 -2.30 103.07 102.28 2kb2 h GLY 107 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2kb2 h GLY 107 CO 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 176.54 176.59 2kb2 h ALA 108 N -0.11 0.13 -0.82 3.60 0.00 -0.63 -1.66 119.26 119.78 2kb2 h ALA 108 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2kb2 h ALA 108 Cb 0.60 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2kb2 h ALA 108 CO 0.02 -0.32 0.46 1.25 0.00 0.00 0.00 179.25 180.66 2kb2 h LEU 109 N 0.06 0.64 -1.80 0.00 5.85 -1.62 0.32 115.31 118.77 2kb2 h LEU 109 Ca 0.04 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2kb2 h LEU 109 Cb 0.09 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2kb2 h LEU 109 CO -0.01 0.35 0.22 -0.33 -0.34 0.00 0.00 178.44 178.34 2kb2 h GLU 110 N 0.76 0.24 0.83 1.25 5.08 -0.89 -2.55 114.58 119.30 2kb2 h GLU 110 Ca 0.41 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2kb2 h GLU 110 Cb 0.41 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kb2 h GLU 110 CO -0.27 0.16 -0.40 0.93 -1.00 0.00 0.00 179.01 178.44 2kb2 h GLU 111 N 0.25 -1.07 -1.18 2.33 4.39 0.56 0.29 114.58 120.15 2kb2 h GLU 111 Ca 0.14 0.07 0.33 0.00 0.34 0.00 0.00 59.36 60.25 2kb2 h GLU 111 Cb 0.25 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 29.06 2kb2 h GLU 111 CO -0.03 -0.71 0.79 0.82 -1.16 0.00 0.00 179.01 178.73 2kb2 h ILE 112 N -1.16 0.39 0.05 3.13 5.03 -1.11 0.81 117.51 124.65 2kb2 h ILE 112 Ca -0.11 -0.07 -0.23 0.00 -0.12 0.00 0.00 64.86 64.33 2kb2 h ILE 112 Cb 0.86 0.18 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 2kb2 h ILE 112 CO 0.19 0.04 -1.08 -0.07 -0.68 0.00 0.00 178.15 176.54 2kb2 h LEU 113 N 0.19 0.19 -0.56 1.44 4.07 -1.13 0.36 115.31 119.87 2kb2 h LEU 113 Ca 0.64 -0.19 0.11 0.00 0.08 0.00 0.00 57.88 58.52 2kb2 h LEU 113 Cb 2.04 -0.06 -0.11 0.00 1.08 0.00 0.00 40.66 43.61 2kb2 h LEU 113 CO -0.21 1.13 -0.23 0.03 -1.08 0.00 0.00 178.44 178.08 2kb2 h ARG 114 N 0.04 -0.09 0.00 1.13 3.08 0.44 0.43 114.38 119.41 2kb2 h ARG 114 Ca -0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2kb2 h ARG 114 Cb 1.82 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.89 2kb2 h ARG 114 CO 0.16 -0.06 -0.70 1.97 -1.07 0.00 0.00 179.97 180.27 2kb2 n PHE 115 N -5.43 0.46 0.00 3.04 -1.74 -1.08 -4.97 117.46 107.74 2kb2 n PHE 115 Ca 0.05 0.13 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 2kb2 n PHE 115 Cb 0.33 -0.59 0.00 0.00 1.52 0.00 0.00 39.48 40.74 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 -2.05 0.00 0.00 5.98 3.41 0.15 -4.79 113.62 116.32 2kb2 n SER 116 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2kb2 n SER 116 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.00 0.00 -1.44 6.66 -2.24 -1.26 -4.70 114.28 111.29 2kb2 n THR 117 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2kb2 n THR 117 Cb 0.00 -0.53 0.06 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.24 2.99 0.80 4.78 -1.74 -1.26 -4.23 117.46 116.55 2kb2 n PHE 118 Ca 0.00 -2.75 0.00 0.00 -0.56 0.00 0.00 57.45 54.14 2kb2 n PHE 118 Cb 0.21 -1.35 0.00 0.00 1.52 0.00 0.00 39.48 39.86 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 -0.67 1.59 0.53 4.97 0.00 -1.26 -4.85 105.19 105.50 2kb2 n GLY 119 Ca 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 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 0.59 0.00 0.35 1.61 0.24 -1.26 -4.96 118.33 114.89 2kb2 n VAL 120 Ca 0.00 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 2kb2 n VAL 120 Cb 0.40 -0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 32.10 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 -1.98 0.00 -2.43 3.34 2.02 -2.03 -3.45 112.91 108.38 2kb2 h THR 121 Ca -0.06 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2kb2 h THR 121 Cb 0.21 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 66.35 2kb2 h THR 121 CO 0.04 0.00 -0.33 -1.61 0.37 0.00 0.00 175.52 173.99 2kb2 s GLU 122 N -4.84 0.37 0.00 6.66 0.41 -1.26 -5.01 118.70 115.02 2kb2 s GLU 122 Ca -0.13 1.10 0.05 0.00 -0.41 0.00 0.00 54.97 55.58 2kb2 s GLU 122 Cb 0.01 0.41 0.22 0.00 -1.78 0.00 0.00 34.13 32.99 2kb2 s GLU 122 CO 0.39 -0.24 1.10 -0.35 -0.49 0.00 0.00 175.26 175.67 2kb2 n PRO 123 N 5.37 0.02 0.00 0.39 -0.04 -1.26 -3.16 135.00 136.32 2kb2 n PRO 123 Ca -0.09 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2kb2 n PRO 123 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.43 0.00 1.48 0.52 0.31 -1.26 -3.12 118.33 114.82 2kb2 n VAL 124 Ca 0.02 1.14 0.10 0.00 -0.01 0.00 0.00 64.34 65.58 2kb2 n VAL 124 Cb 0.05 -2.10 0.59 0.00 -0.91 0.00 0.00 33.84 31.47 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 -0.96 0.00 -4.53 4.52 0.23 -1.24 -4.75 115.26 108.54 2kb2 n ASN 125 Ca 0.00 -0.86 -0.41 0.00 -0.53 0.00 0.00 54.58 52.78 2kb2 n ASN 125 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kb2 n ASP 126 N -0.92 2.16 -0.34 0.53 2.03 -1.18 -4.80 116.55 114.02 2kb2 n ASP 126 Ca 0.15 -0.07 0.20 0.00 0.52 0.00 0.00 54.79 55.59 2kb2 n ASP 126 Cb 0.07 -1.41 0.43 0.00 -0.72 0.00 0.00 41.12 39.49 2kb2 n ASP 126 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2kb2 h ARG 127 N 16.08 0.48 -0.33 -0.67 2.47 -1.89 0.91 114.38 131.44 2kb2 h ARG 127 Ca -0.25 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.35 2kb2 h ARG 127 Cb 1.28 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.48 2kb2 h ARG 127 CO 1.12 0.32 -0.16 1.98 0.56 0.00 0.00 179.97 183.79 2kb2 h MET 128 N 0.50 0.69 -0.05 0.04 1.85 -1.95 -2.97 114.93 113.03 2kb2 h MET 128 Ca 0.65 -0.30 -0.06 0.00 -0.61 0.00 0.00 59.70 59.38 2kb2 h MET 128 Cb 1.38 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.38 2kb2 h MET 128 CO -0.44 0.90 -0.23 0.35 -0.40 0.00 0.00 176.91 177.08 2kb2 h PHE 129 N 0.46 0.09 -0.96 1.39 3.57 -1.18 0.16 116.94 120.47 2kb2 h PHE 129 Ca 0.07 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.67 2kb2 h PHE 129 Cb 0.69 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 2kb2 h PHE 129 CO 0.06 0.32 0.59 0.00 -2.23 0.00 0.00 178.31 177.05 2kb2 h ARG 130 N 0.08 0.94 0.01 1.11 2.47 -0.95 0.71 114.38 118.75 2kb2 h ARG 130 Ca 0.01 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 2kb2 h ARG 130 Cb 0.46 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2kb2 h ARG 130 CO 0.03 0.62 -0.39 -0.07 0.56 0.00 0.00 179.97 180.72 2kb2 h LEU 131 N 0.97 0.02 -0.43 3.04 3.38 -1.42 -3.07 115.31 117.80 2kb2 h LEU 131 Ca 0.46 -0.86 0.06 0.00 0.09 0.00 0.00 57.88 57.63 2kb2 h LEU 131 Cb 0.41 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 2kb2 h LEU 131 CO -0.25 1.16 -0.52 0.25 0.09 0.00 0.00 178.44 179.17 2kb2 h LEU 132 N -0.97 -1.74 -1.84 1.67 5.85 -0.45 0.31 115.31 118.13 2kb2 h LEU 132 Ca -0.10 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kb2 h LEU 132 Cb 1.11 0.73 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 2kb2 h LEU 132 CO -0.05 -0.39 -0.01 0.77 -0.34 0.00 0.00 178.44 178.42 2kb2 h SER 133 N -0.37 0.00 0.73 1.25 4.64 -1.04 -1.19 113.55 117.57 2kb2 h SER 133 Ca 0.10 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 2kb2 h SER 133 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2kb2 h SER 133 CO -0.60 0.01 -0.84 0.00 -0.87 0.00 0.00 176.83 174.52 2kb2 h ALA 134 N 1.99 0.60 0.00 5.18 0.00 -0.41 0.18 119.26 126.80 2kb2 h ALA 134 Ca -0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 2kb2 h ALA 134 Cb 0.39 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2kb2 h ALA 134 CO 0.00 0.98 -1.26 0.35 0.00 0.00 0.00 179.25 179.32 2kb2 h PHE 135 N 0.04 0.00 -0.12 0.00 3.57 -0.31 0.32 116.94 120.44 2kb2 h PHE 135 Ca -0.02 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 2kb2 h PHE 135 Cb 1.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 2kb2 h PHE 135 CO 0.01 0.96 -0.68 0.82 -2.23 0.00 0.00 178.31 177.19 2kb2 h ILE 136 N 0.00 1.34 0.00 1.41 5.03 -1.19 -0.13 117.51 123.97 2kb2 h ILE 136 Ca -0.12 -2.01 -0.04 0.00 -0.12 0.00 0.00 64.86 62.58 2kb2 h ILE 136 Cb 1.84 1.98 -0.01 0.00 -3.03 0.00 0.00 36.82 37.60 2kb2 h ILE 136 CO 0.10 0.61 -0.51 0.00 -0.68 0.00 0.00 178.15 177.68 2kb2 h ALA 137 N 0.88 0.04 0.00 1.87 0.00 -0.69 -3.27 119.26 118.10 2kb2 h ALA 137 Ca -0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2kb2 h ALA 137 Cb 1.26 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2kb2 h ALA 137 CO 0.12 0.41 -1.56 -3.47 0.00 0.00 0.00 179.25 174.76 2kb2 n ASP 138 N -4.62 0.50 -0.39 0.00 2.03 0.11 -4.23 116.55 109.94 2kb2 n ASP 138 Ca -0.10 0.20 0.35 0.00 0.52 0.00 0.00 54.79 55.77 2kb2 n ASP 138 Cb 0.29 0.92 0.70 0.00 -0.72 0.00 0.00 41.12 42.32 2kb2 n ASP 138 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kb2 h GLY 139 N 3.93 0.42 -4.29 0.27 0.00 -0.34 0.34 103.07 103.40 2kb2 h GLY 139 Ca -0.10 -0.06 -0.66 0.00 0.00 0.00 0.00 47.33 46.51 2kb2 h GLY 139 CO 0.01 -0.08 0.31 0.61 0.00 0.00 0.00 176.54 177.40 2kb2 n GLY 140 N -1.70 5.92 2.60 4.60 0.00 -1.25 -4.87 105.19 110.49 2kb2 n GLY 140 Ca 0.30 -2.50 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb2 s ARG 141 N -3.80 0.32 0.51 1.61 1.81 0.12 -5.11 118.95 114.40 2kb2 s ARG 141 Ca 0.56 -0.60 -0.22 0.00 -1.72 0.00 0.00 55.73 53.75 2kb2 s ARG 141 Cb 0.45 -1.47 -0.07 0.00 -0.45 0.00 0.00 34.95 33.41 2kb2 s ARG 141 CO -0.14 -0.95 1.14 2.48 -0.68 0.00 0.00 175.30 177.15 2kb2 n TYR 142 N 5.15 1.55 -0.03 -0.53 4.11 -1.26 -4.91 117.16 121.25 2kb2 n TYR 142 Ca -0.05 0.48 -0.09 0.00 -0.00 0.00 0.00 57.90 58.23 2kb2 n TYR 142 Cb 0.43 -2.27 -0.02 0.00 -0.00 0.00 0.00 39.34 37.48 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kb2 n LEU 144 N -5.37 -2.30 -5.02 0.00 7.99 -1.26 -5.02 117.00 106.01 2kb2 n LEU 144 Ca -0.02 -0.16 -0.20 0.00 -0.01 0.00 0.00 56.01 55.63 2kb2 n LEU 144 Cb 0.29 -0.90 0.06 0.00 -0.11 0.00 0.00 43.42 42.75 2kb2 n LEU 144 CO 0.16 -3.05 0.34 -2.16 -1.51 0.00 0.00 177.39 171.17 2kb2 s PRO 145 N -3.35 2.33 0.46 3.23 0.04 -1.26 -5.10 135.00 131.36 2kb2 s PRO 145 Ca 0.53 -1.42 -0.20 0.00 0.04 0.00 0.00 61.00 59.95 2kb2 s PRO 145 Cb -0.09 -2.61 -0.10 0.00 0.04 0.00 0.00 34.50 31.74 2kb2 s PRO 145 CO 0.63 -0.82 0.98 -1.21 0.04 0.00 0.00 177.00 176.62 2kb2 s GLU 146 N -4.68 4.05 -0.87 4.56 2.02 -1.26 -4.96 118.70 117.56 2kb2 s GLU 146 Ca 0.61 1.14 -0.25 0.00 0.02 0.00 0.00 54.97 56.49 2kb2 s GLU 146 Cb -0.07 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 2kb2 s GLU 146 CO 0.38 -0.19 1.81 -1.25 0.02 0.00 0.00 175.26 176.04 2kb2 s PRO 147 N -3.40 2.78 0.00 0.39 0.04 -1.26 -5.32 135.00 128.24 2kb2 s PRO 147 Ca 0.63 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2kb2 s PRO 147 Cb -0.11 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2kb2 s PRO 147 CO 0.19 -3.01 0.00 -0.11 0.04 0.00 0.00 177.00 174.11