#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 2.12 -0.37 1.61 0.41 -1.26 -5.09 118.70 116.12 2kb2 s GLU 2 Ca 0.00 -2.34 -0.29 0.00 -0.41 0.00 0.00 54.97 51.93 2kb2 s GLU 2 Cb 0.00 -1.35 0.01 0.00 -1.78 0.00 0.00 34.13 31.00 2kb2 s GLU 2 CO 0.00 -0.36 1.32 0.12 -0.49 0.00 0.00 175.26 175.85 2kb2 s PHE 3 N -2.93 2.59 0.11 1.61 5.36 -1.26 -5.00 117.98 118.47 2kb2 s PHE 3 Ca 0.11 0.78 0.04 0.00 -0.96 0.00 0.00 56.93 56.90 2kb2 s PHE 3 Cb 0.02 -4.14 -0.04 0.00 -0.34 0.00 0.00 43.02 38.53 2kb2 s PHE 3 CO 0.06 -1.75 -0.10 -1.64 -1.46 0.00 0.00 175.22 170.33 2kb2 s MET 4 N 4.51 0.93 0.63 10.12 -1.94 -1.26 -5.13 119.30 127.16 2kb2 s MET 4 Ca 0.57 -1.26 -0.04 0.00 -1.71 0.00 0.00 55.69 53.24 2kb2 s MET 4 Cb -0.14 -0.58 0.04 0.00 2.01 0.00 0.00 34.83 36.16 2kb2 s MET 4 CO 0.28 0.08 0.92 -1.17 -0.01 0.00 0.00 175.02 175.12 2kb2 s LEU 5 N -2.70 3.06 0.07 -0.03 2.96 -0.59 -4.13 118.68 117.33 2kb2 s LEU 5 Ca 0.10 0.41 -0.23 0.00 -0.22 0.00 0.00 54.13 54.18 2kb2 s LEU 5 Cb -0.01 -3.16 0.06 0.00 0.50 0.00 0.00 46.19 43.57 2kb2 s LEU 5 CO 0.00 -1.32 0.56 -0.89 -1.32 0.00 0.00 176.35 173.38 2kb2 s THR 6 N -3.04 0.02 -0.37 3.68 2.01 0.16 -0.04 115.64 118.05 2kb2 s THR 6 Ca 0.57 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.44 2kb2 s THR 6 Cb -0.11 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.51 2kb2 s THR 6 CO 0.43 -0.09 0.10 -0.89 -0.69 0.00 0.00 174.62 173.48 2kb2 s THR 7 N -2.77 2.08 -0.16 -0.82 2.01 0.19 0.60 115.64 116.78 2kb2 s THR 7 Ca -0.04 -2.39 -0.18 0.00 0.31 0.00 0.00 61.69 59.40 2kb2 s THR 7 Cb -0.00 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 2kb2 s THR 7 CO -0.04 -0.66 0.48 -0.22 -0.69 0.00 0.00 174.62 173.49 2kb2 s LEU 8 N 0.77 4.21 -0.06 4.42 0.20 0.38 -2.35 118.68 126.25 2kb2 s LEU 8 Ca 0.12 0.72 0.01 0.00 0.69 0.00 0.00 54.13 55.68 2kb2 s LEU 8 Cb -0.20 -2.67 0.02 0.00 -0.43 0.00 0.00 46.19 42.90 2kb2 s LEU 8 CO -0.09 -0.07 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.19 2kb2 s ILE 9 N 1.07 0.88 0.28 6.68 1.01 -0.42 -0.02 121.20 130.68 2kb2 s ILE 9 Ca 0.24 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.60 2kb2 s ILE 9 Cb -0.15 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 2kb2 s ILE 9 CO 0.10 0.31 0.11 -0.72 0.00 0.00 0.00 174.94 174.73 2kb2 s TYR 10 N 0.92 1.58 -0.09 3.97 -0.85 -0.68 0.11 117.35 122.30 2kb2 s TYR 10 Ca -0.10 -1.22 -0.05 0.00 -0.52 0.00 0.00 57.07 55.18 2kb2 s TYR 10 Cb -0.15 -0.91 0.04 0.00 0.38 0.00 0.00 41.96 41.32 2kb2 s TYR 10 CO 0.01 -0.37 0.21 -0.98 -1.52 0.00 0.00 175.55 172.90 2kb2 s ARG 11 N -3.97 0.17 0.00 -3.49 1.70 -0.98 -0.54 118.95 111.85 2kb2 s ARG 11 Ca 0.37 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 56.09 2kb2 s ARG 11 Cb 0.07 -0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 2kb2 s ARG 11 CO 0.15 -0.15 0.00 -1.13 -1.08 0.00 0.00 175.30 173.08 2kb2 n SER 12 N 4.12 1.38 0.00 -2.89 3.41 0.28 -1.82 113.62 118.11 2kb2 n SER 12 Ca -0.25 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 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 1.64 -2.06 4.33 6.02 0.14 -1.30 117.38 126.15 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 -3.16 5.09 3.14 0.49 -3.59 118.33 120.30 2kb2 n VAL 14 Ca 0.00 -0.18 -0.45 0.00 -2.96 0.00 0.00 64.34 60.75 2kb2 n VAL 14 Cb 0.00 0.23 -0.04 0.00 -1.06 0.00 0.00 33.84 32.97 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 -5.28 3.26 -0.01 1.45 3.76 -1.24 -4.71 115.29 112.52 2kb2 s HIS 15 Ca 0.06 -1.36 0.20 0.00 -0.15 0.00 0.00 55.06 53.82 2kb2 s HIS 15 Cb -0.01 -3.99 1.11 0.00 1.11 0.00 0.00 32.58 30.80 2kb2 s HIS 15 CO 0.02 -1.22 1.58 -1.00 -0.85 0.00 0.00 174.74 173.28 2kb2 h PRO 16 N 8.71 0.00 0.07 8.40 0.13 -1.93 -0.86 132.00 146.52 2kb2 h PRO 16 Ca -0.11 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.67 2kb2 h PRO 16 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2kb2 h PRO 16 CO 1.00 0.00 -2.07 -3.47 -0.23 0.00 0.00 178.00 173.23 2kb2 n ASP 17 N -2.27 1.71 -3.71 1.44 2.03 -1.26 -4.97 116.55 109.52 2kb2 n ASP 17 Ca -0.01 0.16 -0.29 0.00 0.52 0.00 0.00 54.79 55.17 2kb2 n ASP 17 Cb 0.17 -0.49 0.22 0.00 -0.72 0.00 0.00 41.12 40.30 2kb2 n ASP 17 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kb2 n ARG 18 N -3.30 -2.12 -2.45 -0.67 1.85 -0.33 -5.08 116.66 104.56 2kb2 n ARG 18 Ca -0.32 -1.88 -0.25 0.00 -1.00 0.00 0.00 57.85 54.40 2kb2 n ARG 18 Cb 1.05 -1.46 0.14 0.00 -1.05 0.00 0.00 32.46 31.13 2kb2 n ARG 18 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2kb2 s PRO 19 N -5.66 1.32 1.01 2.89 0.05 -1.26 -4.94 135.00 128.42 2kb2 s PRO 19 Ca 0.72 -1.04 -0.15 0.00 0.05 0.00 0.00 61.00 60.58 2kb2 s PRO 19 Cb -0.04 -2.21 0.04 0.00 0.05 0.00 0.00 34.50 32.34 2kb2 s PRO 19 CO 0.53 -1.76 0.15 -2.30 0.05 0.00 0.00 177.00 173.66 2kb2 n PRO 20 N -3.09 -0.72 -3.54 0.56 -0.02 -1.26 -4.96 135.00 121.96 2kb2 n PRO 20 Ca 0.16 -0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 61.17 2kb2 n PRO 20 Cb 0.60 -1.73 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 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 -2.31 5.11 -1.15 -1.45 1.01 -1.26 -4.98 120.40 115.37 2kb2 s VAL 21 Ca 0.55 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 2kb2 s VAL 21 Cb -0.17 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2kb2 s VAL 21 CO 0.68 -0.17 2.85 0.47 0.00 0.00 0.00 175.10 178.93 2kb2 n ASP 22 N -0.54 7.76 0.00 3.32 9.92 -1.26 -4.73 116.55 131.02 2kb2 n ASP 22 Ca -0.03 -2.82 0.00 0.00 -0.53 0.00 0.00 54.79 51.41 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 2.49 0.00 -0.12 0.64 4.77 -1.26 0.15 117.00 123.67 2kb2 n LEU 23 Ca 0.65 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.43 2kb2 n LEU 23 Cb 0.37 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2kb2 n LEU 23 CO 0.63 0.00 -1.28 -0.67 -1.33 0.00 0.00 177.39 174.74 2kb2 n ASP 24 N -0.66 2.03 0.10 -1.43 2.03 -1.26 -4.20 116.55 113.16 2kb2 n ASP 24 Ca 0.00 0.04 0.03 0.00 0.52 0.00 0.00 54.79 55.38 2kb2 n ASP 24 Cb 0.00 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 39.90 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 -0.34 0.67 -0.26 -1.67 0.00 -0.46 -2.81 119.26 114.40 2kb2 h ALA 25 Ca -0.55 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 53.75 2kb2 h ALA 25 Cb 1.69 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2kb2 h ALA 25 CO -0.19 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.73 2kb2 h LEU 26 N 0.00 0.62 0.00 0.00 6.46 0.12 -2.87 115.31 119.64 2kb2 h LEU 26 Ca -0.06 -0.45 -0.23 0.00 -0.12 0.00 0.00 57.88 57.03 2kb2 h LEU 26 Cb 1.39 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 2kb2 h LEU 26 CO 0.05 0.93 -1.16 1.62 -0.62 0.00 0.00 178.44 179.26 2kb2 h VAL 27 N 0.31 1.47 0.37 1.05 3.04 -1.73 -3.32 116.25 117.45 2kb2 h VAL 27 Ca 0.05 -3.20 -0.01 0.00 -1.01 0.00 0.00 66.70 62.53 2kb2 h VAL 27 Cb 0.73 2.72 -0.02 0.00 -2.01 0.00 0.00 31.29 32.72 2kb2 h VAL 27 CO 0.05 0.84 -0.32 -0.74 -1.01 0.00 0.00 177.57 176.39 2kb2 h HIS 28 N 0.00 -0.85 -0.10 3.17 6.17 -1.47 0.17 115.15 122.24 2kb2 h HIS 28 Ca -0.08 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.03 2kb2 h HIS 28 Cb 1.82 0.32 -0.00 0.00 2.52 0.00 0.00 27.41 32.07 2kb2 h HIS 28 CO 0.00 -0.46 0.11 0.00 0.71 0.00 0.00 177.93 178.29 2kb2 h ARG 29 N -0.70 0.00 0.05 5.26 -0.00 -1.65 -1.90 114.38 115.44 2kb2 h ARG 29 Ca -0.03 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.37 2kb2 h ARG 29 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.59 2kb2 h ARG 29 CO -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 179.97 179.60 2kb2 h ALA 30 N 1.87 -0.02 -0.20 0.04 0.00 -1.42 -3.08 119.26 116.44 2kb2 h ALA 30 Ca 0.05 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2kb2 h ALA 30 Cb 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kb2 h ALA 30 CO -0.00 0.15 0.24 1.03 0.00 0.00 0.00 179.25 180.67 2kb2 h SER 31 N -0.66 0.00 0.88 0.00 0.87 0.08 0.17 113.55 114.88 2kb2 h SER 31 Ca -0.06 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.27 2kb2 h SER 31 Cb 1.22 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 2kb2 h SER 31 CO 0.06 0.00 -1.15 -1.28 -0.53 0.00 0.00 176.83 173.94 2kb2 h SER 32 N 0.00 0.04 0.00 6.23 0.87 -1.46 -3.15 113.55 116.08 2kb2 h SER 32 Ca 0.10 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2kb2 h SER 32 Cb 0.58 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2kb2 h SER 32 CO -0.00 1.03 -0.62 0.50 -0.53 0.00 0.00 176.83 177.21 2kb2 h LYS 33 N 0.01 0.00 -0.50 2.24 3.64 -0.77 -3.38 116.57 117.81 2kb2 h LYS 33 Ca -0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2kb2 h LYS 33 Cb 1.83 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 2kb2 h LYS 33 CO 0.13 0.57 0.30 -0.91 -2.27 0.00 0.00 179.45 177.27 2kb2 h ASN 34 N -1.00 0.60 -0.16 4.20 2.35 -0.99 -2.63 115.58 117.94 2kb2 h ASN 34 Ca -0.13 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2kb2 h ASN 34 Cb 0.83 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.99 2kb2 h ASN 34 CO -0.08 0.47 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.66 2kb2 h LEU 35 N 0.67 -1.43 -1.96 1.61 3.38 -1.62 0.31 115.31 116.28 2kb2 h LEU 35 Ca 0.18 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2kb2 h LEU 35 Cb -0.02 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kb2 h LEU 35 CO -0.03 -0.38 -0.07 1.55 0.09 0.00 0.00 178.44 179.60 2kb2 h PRO 36 N -0.44 0.00 0.00 1.13 0.13 -1.73 -1.69 132.00 129.40 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 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 2kb2 h PRO 36 CO -0.39 0.07 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.28 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -0.65 -3.47 115.31 116.83 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 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2kb2 h LEU 37 CO 0.01 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.09 2kb2 n GLY 38 N 0.88 0.70 3.77 0.83 0.00 0.79 -4.96 105.19 107.19 2kb2 n GLY 38 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.14 4.69 0.13 -0.61 1.01 0.59 -4.59 121.20 120.27 2kb2 s ILE 39 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.17 2kb2 s ILE 39 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2kb2 s ILE 39 CO 0.00 0.45 -0.12 0.42 0.00 0.00 0.00 174.94 175.70 2kb2 s THR 40 N -0.56 1.22 -4.35 2.92 -4.23 -0.80 -3.67 115.64 106.17 2kb2 s THR 40 Ca 0.34 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2kb2 s THR 40 Cb -0.20 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 71.97 2kb2 s THR 40 CO 0.22 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 2kb2 n GLY 41 N 0.17 -0.56 3.30 3.99 0.00 -0.58 0.84 105.19 112.35 2kb2 n GLY 41 Ca -0.13 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 0.33 -0.61 2.07 -0.37 -3.36 121.20 116.32 2kb2 s ILE 42 Ca 0.00 -0.53 0.10 0.00 -1.41 0.00 0.00 60.65 58.81 2kb2 s ILE 42 Cb 0.00 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.58 2kb2 s ILE 42 CO 0.00 -0.29 -0.07 -0.76 -1.91 0.00 0.00 174.94 171.91 2kb2 s LEU 43 N -2.05 2.81 0.02 8.50 1.43 -0.44 -0.42 118.68 128.53 2kb2 s LEU 43 Ca -0.05 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 51.91 2kb2 s LEU 43 Cb -0.01 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 2kb2 s LEU 43 CO -0.03 -0.18 0.06 -0.76 0.23 0.00 0.00 176.35 175.66 2kb2 s LEU 44 N -3.63 1.93 -0.14 1.79 1.02 0.19 0.51 118.68 120.34 2kb2 s LEU 44 Ca 0.33 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.94 2kb2 s LEU 44 Cb 0.01 0.42 0.05 0.00 0.02 0.00 0.00 46.19 46.69 2kb2 s LEU 44 CO 0.17 -0.40 0.35 0.12 0.02 0.00 0.00 176.35 176.61 2kb2 s PHE 45 N -1.93 -0.48 -0.03 0.29 5.36 -0.83 -1.95 117.98 118.41 2kb2 s PHE 45 Ca -0.11 1.07 0.05 0.00 -0.96 0.00 0.00 56.93 56.98 2kb2 s PHE 45 Cb -0.06 0.17 0.07 0.00 -0.34 0.00 0.00 43.02 42.87 2kb2 s PHE 45 CO -0.02 -0.28 1.00 0.27 -1.46 0.00 0.00 175.22 174.74 2kb2 n ASN 46 N 3.92 1.88 0.00 6.13 0.23 -1.12 0.85 115.26 127.15 2kb2 n ASN 46 Ca -0.21 -2.21 0.00 0.00 -0.53 0.00 0.00 54.58 51.63 2kb2 n ASN 46 Cb 0.55 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 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 0.59 0.00 4.83 0.00 -1.26 -4.75 105.19 103.91 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 -4.36 0.99 -0.00 -1.26 -4.94 117.00 107.44 2kb2 n LEU 48 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 2kb2 n LEU 48 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2kb2 n LEU 48 CO 0.00 0.00 -0.56 -1.10 -0.00 0.00 0.00 177.39 175.73 2kb2 s GLN 49 N -1.00 1.84 -0.35 1.96 -0.21 -1.26 -0.38 119.66 120.25 2kb2 s GLN 49 Ca 0.00 -1.10 -0.07 0.00 0.02 0.00 0.00 55.36 54.22 2kb2 s GLN 49 Cb 0.00 -2.00 0.05 0.00 1.00 0.00 0.00 33.01 32.05 2kb2 s GLN 49 CO 0.00 0.52 0.14 -0.06 -2.12 0.00 0.00 175.29 173.76 2kb2 s PHE 50 N -0.82 3.28 -0.18 0.91 0.08 -0.42 -2.79 117.98 118.04 2kb2 s PHE 50 Ca 0.12 -1.44 -0.08 0.00 0.12 0.00 0.00 56.93 55.64 2kb2 s PHE 50 Cb -0.10 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 2kb2 s PHE 50 CO 0.02 -0.75 0.10 0.12 -0.10 0.00 0.00 175.22 174.62 2kb2 s PHE 51 N 1.41 3.36 -0.06 0.36 5.36 -0.82 -0.56 117.98 127.03 2kb2 s PHE 51 Ca -0.00 0.25 0.02 0.00 -0.96 0.00 0.00 56.93 56.23 2kb2 s PHE 51 Cb -0.20 -2.10 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 2kb2 s PHE 51 CO 0.03 0.29 -0.10 -1.14 -1.46 0.00 0.00 175.22 172.84 2kb2 s GLN 52 N 0.18 1.48 -0.48 10.12 0.74 0.30 0.57 119.66 132.58 2kb2 s GLN 52 Ca 0.07 -0.33 -0.15 0.00 0.05 0.00 0.00 55.36 55.00 2kb2 s GLN 52 Cb -0.12 -1.27 0.08 0.00 1.10 0.00 0.00 33.01 32.80 2kb2 s GLN 52 CO -0.01 -0.01 0.40 0.08 -0.55 0.00 0.00 175.29 175.21 2kb2 s VAL 53 N 0.77 5.18 -0.01 1.34 1.01 0.44 -1.69 120.40 127.43 2kb2 s VAL 53 Ca -0.13 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2kb2 s VAL 53 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2kb2 s VAL 53 CO 0.02 -0.62 0.01 -0.22 0.00 0.00 0.00 175.10 174.30 2kb2 s LEU 54 N 1.62 3.59 0.08 3.92 2.96 0.97 -1.24 118.68 130.58 2kb2 s LEU 54 Ca 0.04 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 2kb2 s LEU 54 Cb -0.25 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2kb2 s LEU 54 CO 0.06 0.29 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.65 2kb2 s GLU 55 N -1.50 0.83 0.00 1.98 2.02 0.25 -0.47 118.70 121.80 2kb2 s GLU 55 Ca 0.19 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2kb2 s GLU 55 Cb -0.12 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.41 2kb2 s GLU 55 CO 0.10 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2kb2 n GLY 56 N 0.98 1.71 3.63 -1.39 0.00 0.20 -1.91 105.19 108.42 2kb2 n GLY 56 Ca -0.19 -1.96 -0.45 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.78 1.44 -0.02 2.61 -2.24 -1.26 0.37 114.28 113.40 2kb2 n THR 57 Ca 0.00 -0.36 0.23 0.00 -2.27 0.00 0.00 64.05 61.66 2kb2 n THR 57 Cb 0.00 -1.20 0.72 0.00 -2.10 0.00 0.00 70.33 67.75 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 3.05 0.00 -0.09 -0.78 4.81 -1.84 0.26 114.58 119.99 2kb2 h GLU 58 Ca -0.43 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.60 2kb2 h GLU 58 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 2kb2 h GLU 58 CO 0.67 0.00 -0.76 1.05 -0.73 0.00 0.00 179.01 179.25 2kb2 h GLU 59 N 0.00 0.50 -0.07 1.92 4.11 -1.92 -2.56 114.58 116.56 2kb2 h GLU 59 Ca 0.29 -0.42 -0.21 0.00 0.07 0.00 0.00 59.36 59.09 2kb2 h GLU 59 Cb 1.40 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.76 2kb2 h GLU 59 CO -0.00 1.05 -0.80 0.00 0.07 0.00 0.00 179.01 179.33 2kb2 h ALA 60 N 0.83 0.18 -0.83 1.06 0.00 -0.88 -3.02 119.26 116.60 2kb2 h ALA 60 Ca -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 2kb2 h ALA 60 Cb 1.35 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2kb2 h ALA 60 CO 0.14 0.58 0.38 -0.07 0.00 0.00 0.00 179.25 180.28 2kb2 h LEU 61 N 0.31 1.10 0.96 0.00 3.38 -1.27 -0.86 115.31 118.92 2kb2 h LEU 61 Ca -0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2kb2 h LEU 61 Cb 1.45 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.93 2kb2 h LEU 61 CO 0.16 0.94 -0.46 -0.08 0.09 0.00 0.00 178.44 179.09 2kb2 h GLU 62 N 1.19 -1.24 -0.51 1.13 4.81 -1.49 0.12 114.58 118.59 2kb2 h GLU 62 Ca 0.28 0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.66 2kb2 h GLU 62 Cb 0.14 0.28 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2kb2 h GLU 62 CO -0.03 -0.82 0.22 1.03 -0.73 0.00 0.00 179.01 178.67 2kb2 h SER 63 N -1.30 0.27 0.68 1.04 0.87 -1.49 0.91 113.55 114.53 2kb2 h SER 63 Ca -0.13 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2kb2 h SER 63 Cb 0.99 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2kb2 h SER 63 CO 0.22 0.18 -0.33 0.25 -0.53 0.00 0.00 176.83 176.62 2kb2 h LEU 64 N 0.42 -0.77 -1.95 2.23 7.12 -1.10 -0.17 115.31 121.09 2kb2 h LEU 64 Ca 0.24 0.03 0.27 0.00 0.13 0.00 0.00 57.88 58.55 2kb2 h LEU 64 Cb 0.22 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 2kb2 h LEU 64 CO -0.21 -0.55 0.72 0.15 -0.13 0.00 0.00 178.44 178.42 2kb2 h PHE 65 N -0.93 0.00 0.00 1.25 3.57 -0.65 0.94 116.94 121.13 2kb2 h PHE 65 Ca -0.09 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.24 2kb2 h PHE 65 Cb 0.70 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2kb2 h PHE 65 CO 0.07 0.00 -0.79 1.03 -2.23 0.00 0.00 178.31 176.40 2kb2 h SER 66 N 0.00 0.00 0.61 0.41 0.87 -0.20 -2.81 113.55 112.43 2kb2 h SER 66 Ca 0.44 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.89 2kb2 h SER 66 Cb 1.88 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 2kb2 h SER 66 CO -0.00 0.79 -0.56 -0.33 -0.53 0.00 0.00 176.83 176.19 2kb2 h GLU 67 N 0.00 0.00 0.51 2.24 4.39 0.27 -3.21 114.58 118.78 2kb2 h GLU 67 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kb2 h GLU 67 Cb 1.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2kb2 h GLU 67 CO 0.10 0.56 -0.24 0.82 -1.16 0.00 0.00 179.01 179.09 2kb2 h ILE 68 N 0.00 0.44 0.00 3.13 5.03 -0.92 -2.66 117.51 122.53 2kb2 h ILE 68 Ca -0.01 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 2kb2 h ILE 68 Cb 1.02 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 35.37 2kb2 h ILE 68 CO 0.07 0.05 0.00 0.00 -0.68 0.00 0.00 178.15 177.59 2kb2 n GLN 69 N -5.31 0.01 -0.60 2.37 6.02 -1.08 0.01 117.38 118.80 2kb2 n GLN 69 Ca -0.11 0.47 0.09 0.00 -0.01 0.00 0.00 57.00 57.44 2kb2 n GLN 69 Cb 0.31 -1.53 0.35 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.55 4.60 -4.84 1.08 7.64 -1.01 -4.95 113.62 114.60 2kb2 n SER 70 Ca 0.00 -2.42 -0.36 0.00 1.01 0.00 0.00 58.87 57.10 2kb2 n SER 70 Cb 0.03 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 2kb2 n SER 70 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kb2 s ASP 71 N -0.87 6.85 0.27 6.43 2.15 0.10 -5.00 116.67 126.60 2kb2 s ASP 71 Ca 0.49 1.09 0.20 0.00 0.43 0.00 0.00 52.55 54.76 2kb2 s ASP 71 Cb 0.32 -2.29 0.09 0.00 -0.30 0.00 0.00 42.92 40.74 2kb2 s ASP 71 CO 0.24 0.14 1.28 1.55 -0.17 0.00 0.00 175.17 178.21 2kb2 h PRO 72 N 3.77 0.00 0.00 4.34 0.13 -1.92 -3.41 132.00 134.91 2kb2 h PRO 72 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kb2 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kb2 h PRO 72 CO 0.65 0.18 0.00 -2.13 -0.23 0.00 0.00 178.00 176.48 2kb2 n ARG 73 N -2.99 0.00 -0.45 0.86 0.63 -1.26 -4.88 116.66 108.57 2kb2 n ARG 73 Ca 0.00 0.09 -0.11 0.00 -0.92 0.00 0.00 57.85 56.92 2kb2 n ARG 73 Cb 0.65 -0.87 0.08 0.00 0.45 0.00 0.00 32.46 32.77 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 -0.78 -3.49 -3.85 -0.14 1.44 -1.26 -3.63 115.22 103.52 2kb2 n HIS 74 Ca 0.00 -0.37 -0.05 0.00 -2.01 0.00 0.00 57.72 55.29 2kb2 n HIS 74 Cb 0.00 -0.39 0.02 0.00 0.12 0.00 0.00 29.99 29.73 2kb2 n HIS 74 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2kb2 s ARG 75 N -3.92 1.63 -0.53 -1.40 1.70 -1.24 -4.74 118.95 110.45 2kb2 s ARG 75 Ca 0.26 -1.03 -0.04 0.00 -0.47 0.00 0.00 55.73 54.44 2kb2 s ARG 75 Cb -0.02 0.47 0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2kb2 s ARG 75 CO 0.19 -0.76 0.13 -0.25 -1.08 0.00 0.00 175.30 173.53 2kb2 n ASP 76 N -1.20 -1.72 -4.77 -2.89 8.00 -1.26 0.26 116.55 112.97 2kb2 n ASP 76 Ca -0.05 0.12 -0.41 0.00 0.71 0.00 0.00 54.79 55.16 2kb2 n ASP 76 Cb 0.60 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kb2 s VAL 77 N -2.35 2.18 -0.01 2.53 0.11 -1.26 -4.61 120.40 116.99 2kb2 s VAL 77 Ca 0.16 0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2kb2 s VAL 77 Cb -0.09 -3.11 0.01 0.00 -1.53 0.00 0.00 36.38 31.66 2kb2 s VAL 77 CO 0.20 0.04 0.02 -0.69 -3.33 0.00 0.00 175.10 171.33 2kb2 s VAL 78 N -0.71 -0.02 0.07 2.04 1.01 -0.75 -4.96 120.40 117.08 2kb2 s VAL 78 Ca 0.56 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 2kb2 s VAL 78 Cb -0.46 -0.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.79 2kb2 s VAL 78 CO 0.56 0.04 1.58 -0.70 0.00 0.00 0.00 175.10 176.58 2kb2 s GLU 79 N 0.45 4.22 -0.21 2.72 2.56 -1.26 -2.31 118.70 124.88 2kb2 s GLU 79 Ca -0.04 2.26 0.10 0.00 0.00 0.00 0.00 54.97 57.29 2kb2 s GLU 79 Cb -0.05 -3.50 -0.20 0.00 2.00 0.00 0.00 34.13 32.38 2kb2 s GLU 79 CO -0.01 -0.67 -0.06 1.28 -0.56 0.00 0.00 175.26 175.24 2kb2 n LEU 80 N 5.20 1.31 -3.90 2.70 4.32 0.30 -4.96 117.00 121.97 2kb2 n LEU 80 Ca 0.15 -0.06 -0.09 0.00 -0.02 0.00 0.00 56.01 55.99 2kb2 n LEU 80 Cb 0.41 -0.11 -0.05 0.00 -1.62 0.00 0.00 43.42 42.05 2kb2 n LEU 80 CO 0.61 0.65 0.19 -0.32 -1.22 0.00 0.00 177.39 177.30 2kb2 s MET 81 N -2.46 1.44 0.00 3.23 1.75 0.13 -4.91 119.30 118.48 2kb2 s MET 81 Ca -0.19 -1.10 0.00 0.00 -1.25 0.00 0.00 55.69 53.14 2kb2 s MET 81 Cb 0.07 0.48 0.00 0.00 2.84 0.00 0.00 34.83 38.21 2kb2 s MET 81 CO 0.66 -0.59 0.00 -2.13 -0.65 0.00 0.00 175.02 172.31 2kb2 n ARG 82 N -0.34 0.00 -4.53 4.11 0.63 -0.99 -1.31 116.66 114.23 2kb2 n ARG 82 Ca -0.05 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.64 2kb2 n ARG 82 Cb 0.62 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.39 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 2.21 0.87 6.15 2.15 -1.00 -4.87 116.67 122.19 2kb2 s ASP 83 Ca 0.00 -0.51 -0.10 0.00 0.43 0.00 0.00 52.55 52.37 2kb2 s ASP 83 Cb 0.00 -0.17 0.12 0.00 -0.30 0.00 0.00 42.92 42.57 2kb2 s ASP 83 CO 0.00 0.11 1.12 -0.31 -0.17 0.00 0.00 175.17 175.92 2kb2 s TYR 84 N -0.83 1.99 0.25 -5.34 2.02 -1.26 0.54 117.35 114.72 2kb2 s TYR 84 Ca 0.06 1.65 -0.22 0.00 -0.37 0.00 0.00 57.07 58.19 2kb2 s TYR 84 Cb -0.09 -3.21 0.03 0.00 -0.40 0.00 0.00 41.96 38.29 2kb2 s TYR 84 CO 0.02 -2.47 0.75 -1.12 -1.57 0.00 0.00 175.55 171.16 2kb2 s SER 85 N -2.97 -0.26 0.00 2.29 0.01 0.94 -4.73 113.70 108.97 2kb2 s SER 85 Ca 0.65 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2kb2 s SER 85 Cb -0.21 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2kb2 s SER 85 CO 0.57 -1.25 0.46 0.00 0.41 0.00 0.00 173.24 173.43 2kb2 n ALA 86 N -0.46 1.10 -3.17 1.44 0.00 -1.26 -1.54 120.51 116.62 2kb2 n ALA 86 Ca -0.05 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 2kb2 n ALA 86 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.19 -0.14 -0.34 0.00 1.13 -1.26 -4.99 117.35 111.56 2kb2 s TYR 87 Ca 0.00 0.17 -0.11 0.00 -1.41 0.00 0.00 57.07 55.71 2kb2 s TYR 87 Cb 0.00 0.08 -0.00 0.00 -1.10 0.00 0.00 41.96 40.94 2kb2 s TYR 87 CO 0.00 -0.41 0.20 1.03 -2.51 0.00 0.00 175.55 173.87 2kb2 s ARG 88 N -1.61 3.24 0.02 -3.49 0.52 -1.26 -4.97 118.95 111.40 2kb2 s ARG 88 Ca -0.12 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.07 2kb2 s ARG 88 Cb -0.04 -3.71 -0.16 0.00 0.52 0.00 0.00 34.95 31.56 2kb2 s ARG 88 CO 0.02 -0.51 1.36 0.00 0.02 0.00 0.00 175.30 176.18 2kb2 h ARG 89 N 8.44 0.21 -1.57 3.54 -0.00 -1.98 -3.12 114.38 119.89 2kb2 h ARG 89 Ca -0.30 -0.10 -0.20 0.00 -0.50 0.00 0.00 59.98 58.88 2kb2 h ARG 89 Cb 1.14 -0.00 -0.09 0.00 0.00 0.00 0.00 29.97 31.02 2kb2 h ARG 89 CO 0.64 0.59 0.26 1.19 0.00 0.00 0.00 179.97 182.65 2kb2 n PHE 90 N -4.71 0.98 -1.54 3.04 3.01 -1.26 -4.89 117.46 112.09 2kb2 n PHE 90 Ca -0.07 -1.50 -0.43 0.00 1.01 0.00 0.00 57.45 56.46 2kb2 n PHE 90 Cb 0.29 -0.74 -0.05 0.00 -0.01 0.00 0.00 39.48 38.98 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2kb2 n HIS 91 N 0.63 1.68 0.00 1.38 -0.00 -1.18 -1.21 115.22 116.51 2kb2 n HIS 91 Ca 0.19 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.43 2kb2 n HIS 91 Cb 0.60 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.83 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kb2 n GLY 92 N 6.07 1.00 3.10 1.57 0.00 -1.26 -5.06 105.19 110.62 2kb2 n GLY 92 Ca 0.36 -0.09 -0.36 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 -0.63 3.34 0.27 2.61 2.01 -0.35 -4.96 115.64 117.94 2kb2 s THR 93 Ca 0.00 -2.37 -0.01 0.00 0.31 0.00 0.00 61.69 59.62 2kb2 s THR 93 Cb 0.00 -3.26 0.26 0.00 0.01 0.00 0.00 72.50 69.51 2kb2 s THR 93 CO 0.00 -0.75 1.83 1.23 -0.69 0.00 0.00 174.62 176.25 2kb2 h GLY 94 N 7.69 1.52 -5.25 4.40 0.00 -1.80 -3.00 103.07 106.63 2kb2 h GLY 94 Ca -0.09 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 46.86 2kb2 h GLY 94 CO 0.70 0.17 0.30 -0.29 0.00 0.00 0.00 176.54 177.42 2kb2 s MET 95 N -5.99 0.64 -0.28 4.80 1.75 -1.25 -1.53 119.30 117.44 2kb2 s MET 95 Ca -0.12 0.79 0.00 0.00 -1.25 0.00 0.00 55.69 55.11 2kb2 s MET 95 Cb 0.21 0.29 0.16 0.00 2.84 0.00 0.00 34.83 38.33 2kb2 s MET 95 CO 0.80 -0.08 0.44 0.50 -0.65 0.00 0.00 175.02 176.03 2kb2 s ARG 96 N 0.42 0.43 0.92 4.11 3.00 -1.21 -4.60 118.95 122.02 2kb2 s ARG 96 Ca 0.01 0.44 -0.10 0.00 -1.00 0.00 0.00 55.73 55.07 2kb2 s ARG 96 Cb -0.05 -0.19 0.15 0.00 0.00 0.00 0.00 34.95 34.86 2kb2 s ARG 96 CO -0.05 -0.84 1.12 -1.50 0.00 0.00 0.00 175.30 174.03 2kb2 s ILE 97 N 2.62 2.31 -0.37 4.11 -1.16 -1.26 -1.33 121.20 126.12 2kb2 s ILE 97 Ca 0.12 0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.37 2kb2 s ILE 97 Cb -0.14 -2.23 0.13 0.00 0.61 0.00 0.00 42.46 40.84 2kb2 s ILE 97 CO -0.23 -0.13 0.21 -0.22 -2.81 0.00 0.00 174.94 171.75 2kb2 s LEU 98 N -6.54 1.49 -0.89 8.50 2.96 0.18 -4.72 118.68 119.66 2kb2 s LEU 98 Ca 0.66 -2.24 -0.26 0.00 -0.22 0.00 0.00 54.13 52.08 2kb2 s LEU 98 Cb -0.22 -0.59 -0.13 0.00 0.50 0.00 0.00 46.19 45.75 2kb2 s LEU 98 CO 0.58 -0.31 2.24 -0.62 -1.32 0.00 0.00 176.35 176.92 2kb2 s ASP 99 N 0.95 4.12 0.66 3.68 2.15 -1.26 -1.97 116.67 124.99 2kb2 s ASP 99 Ca 0.17 -0.38 0.36 0.00 0.43 0.00 0.00 52.55 53.14 2kb2 s ASP 99 Cb -0.23 -2.56 2.00 0.00 -0.30 0.00 0.00 42.92 41.83 2kb2 s ASP 99 CO -0.02 -3.76 2.16 -0.07 -0.17 0.00 0.00 175.17 173.30 2kb2 h LEU 100 N 21.31 0.00 -1.70 -1.34 3.38 0.11 0.25 115.31 137.32 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 0.05 0.03 0.09 0.00 0.00 178.44 179.67 2kb2 h ARG 101 N 0.00 0.00 0.04 1.13 2.47 -1.84 -1.79 114.38 114.39 2kb2 h ARG 101 Ca 0.01 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.38 2kb2 h ARG 101 Cb 0.33 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 2kb2 h ARG 101 CO -0.00 0.00 -2.01 1.28 0.56 0.00 0.00 179.97 179.80 2kb2 n LEU 102 N -2.42 2.35 0.00 3.04 4.77 0.87 -5.01 117.00 120.59 2kb2 n LEU 102 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2kb2 n LEU 102 Cb 0.09 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2kb2 n LEU 102 CO 0.11 0.65 0.00 0.49 -1.33 0.00 0.00 177.39 177.32 2kb2 n PHE 103 N -3.86 0.00 -2.69 -1.77 3.72 -0.67 -5.07 117.46 107.11 2kb2 n PHE 103 Ca -0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 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 -4.84 120.64 114.16 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 0.13 0.00 3.84 2.02 -1.93 0.20 112.91 117.18 2kb2 h THR 105 Ca 0.00 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 2kb2 h THR 105 Cb 0.00 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2kb2 h THR 105 CO 0.00 0.01 -0.49 -0.78 0.37 0.00 0.00 175.52 174.63 2kb2 h ASP 106 N -1.18 0.00 -0.01 4.18 1.82 -1.98 -2.83 116.42 116.43 2kb2 h ASP 106 Ca -0.11 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2kb2 h ASP 106 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 2kb2 h ASP 106 CO 0.18 0.49 -0.02 1.23 -1.61 0.00 0.00 179.24 179.50 2kb2 h GLY 107 N 3.05 0.03 0.89 -0.78 0.00 -1.92 -2.33 103.07 102.01 2kb2 h GLY 107 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2kb2 h GLY 107 CO 0.06 0.04 0.08 0.00 0.00 0.00 0.00 176.54 176.72 2kb2 h ALA 108 N 0.42 0.36 -0.83 3.60 0.00 -0.68 -1.97 119.26 120.16 2kb2 h ALA 108 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2kb2 h ALA 108 Cb 0.61 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2kb2 h ALA 108 CO 0.00 -0.01 0.54 1.25 0.00 0.00 0.00 179.25 181.04 2kb2 h LEU 109 N 0.27 0.75 -1.15 0.00 5.85 -1.58 0.11 115.31 119.57 2kb2 h LEU 109 Ca 0.09 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2kb2 h LEU 109 Cb 0.25 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2kb2 h LEU 109 CO -0.00 0.46 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.22 2kb2 h GLU 110 N 0.84 0.58 0.35 1.25 4.39 -0.97 -2.87 114.58 118.15 2kb2 h GLU 110 Ca 0.37 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2kb2 h GLU 110 Cb 0.35 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2kb2 h GLU 110 CO -0.14 0.61 -0.35 0.93 -1.16 0.00 0.00 179.01 178.89 2kb2 h GLU 111 N 0.56 -0.70 -0.67 2.33 4.39 -0.04 0.49 114.58 120.94 2kb2 h GLU 111 Ca 0.12 0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.99 2kb2 h GLU 111 Cb 0.37 0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 29.05 2kb2 h GLU 111 CO 0.01 -0.47 -0.22 0.82 -1.16 0.00 0.00 179.01 178.00 2kb2 h ILE 112 N -0.73 0.27 -0.69 3.13 5.03 -1.28 0.29 117.51 123.53 2kb2 h ILE 112 Ca -0.02 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.78 2kb2 h ILE 112 Cb 0.66 0.27 -0.06 0.00 -3.03 0.00 0.00 36.82 34.66 2kb2 h ILE 112 CO -0.07 0.00 0.39 -0.07 -0.68 0.00 0.00 178.15 177.72 2kb2 h LEU 113 N -0.05 0.58 -1.58 1.44 -0.00 -1.22 1.23 115.31 115.72 2kb2 h LEU 113 Ca 0.31 0.03 0.23 0.00 -0.00 0.00 0.00 57.88 58.45 2kb2 h LEU 113 Cb 0.52 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 41.03 2kb2 h LEU 113 CO -0.71 0.38 0.63 0.03 -0.00 0.00 0.00 178.44 178.77 2kb2 h ARG 114 N 0.72 0.31 0.00 1.13 3.08 0.18 0.29 114.38 120.09 2kb2 h ARG 114 Ca 0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2kb2 h ARG 114 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2kb2 h ARG 114 CO -0.18 0.20 0.00 1.97 -1.07 0.00 0.00 179.97 180.89 2kb2 n PHE 115 N -4.48 0.00 0.00 3.04 1.16 -0.75 -4.80 117.46 111.62 2kb2 n PHE 115 Ca 0.21 -0.22 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 2kb2 n PHE 115 Cb 0.80 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.65 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kb2 n SER 116 N -0.22 1.41 -3.65 5.98 2.88 0.42 -4.86 113.62 115.57 2kb2 n SER 116 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2kb2 n SER 116 Cb 0.17 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.66 2kb2 n SER 116 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kb2 n THR 117 N -2.55 -5.89 -1.79 2.46 -2.24 0.99 -4.77 114.28 100.49 2kb2 n THR 117 Ca 0.00 -0.81 -0.38 0.00 -2.27 0.00 0.00 64.05 60.59 2kb2 n THR 117 Cb 0.36 -4.37 -0.03 0.00 -2.10 0.00 0.00 70.33 64.19 2kb2 n THR 117 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2kb2 s PHE 118 N -3.38 1.37 -0.28 4.78 -0.12 -1.26 -4.76 117.98 114.33 2kb2 s PHE 118 Ca 0.40 1.12 0.11 0.00 -0.05 0.00 0.00 56.93 58.50 2kb2 s PHE 118 Cb -0.14 -3.85 0.53 0.00 -0.63 0.00 0.00 43.02 38.93 2kb2 s PHE 118 CO 0.86 -2.59 1.50 0.41 -0.05 0.00 0.00 175.22 175.35 2kb2 n GLY 119 N 5.82 4.60 0.00 1.99 0.00 -1.26 -4.87 105.19 111.47 2kb2 n GLY 119 Ca 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.94 0.00 -0.04 1.61 0.24 -1.26 -4.87 118.33 113.08 2kb2 n VAL 120 Ca 0.33 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.53 2kb2 n VAL 120 Cb 1.06 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.55 0.32 -0.55 3.34 2.02 -2.04 -3.44 112.91 111.01 2kb2 h THR 121 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 2kb2 h THR 121 Cb 0.00 0.32 -0.28 0.00 -1.74 0.00 0.00 68.15 66.46 2kb2 h THR 121 CO 0.00 0.00 0.50 -1.83 0.37 0.00 0.00 175.52 174.56 2kb2 s GLU 122 N -6.04 0.11 0.00 6.66 -1.05 -1.26 -5.01 118.70 112.12 2kb2 s GLU 122 Ca -0.15 0.25 0.04 0.00 -0.15 0.00 0.00 54.97 54.96 2kb2 s GLU 122 Cb 0.12 0.13 0.17 0.00 -0.44 0.00 0.00 34.13 34.10 2kb2 s GLU 122 CO 0.67 -0.03 1.01 -0.35 0.95 0.00 0.00 175.26 177.51 2kb2 n PRO 123 N 4.34 0.03 0.00 -4.83 -0.04 -1.26 -3.65 135.00 129.59 2kb2 n PRO 123 Ca -0.09 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 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 -1.38 0.00 0.53 0.52 0.31 -1.26 -2.75 118.33 114.30 2kb2 n VAL 124 Ca 0.01 1.02 0.06 0.00 -0.01 0.00 0.00 64.34 65.42 2kb2 n VAL 124 Cb 0.03 -1.88 0.29 0.00 -0.91 0.00 0.00 33.84 31.37 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 -0.70 0.00 -4.55 4.52 0.23 -1.24 -4.64 115.26 108.87 2kb2 n ASN 125 Ca 0.00 0.17 -0.30 0.00 -0.53 0.00 0.00 54.58 53.92 2kb2 n ASN 125 Cb 0.00 -0.32 -0.04 0.00 -2.08 0.00 0.00 39.78 37.34 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 -1.32 2.14 -0.09 0.53 -0.08 -1.11 -4.78 116.55 111.86 2kb2 n ASP 126 Ca 0.05 -0.75 0.21 0.00 -1.51 0.00 0.00 54.79 52.79 2kb2 n ASP 126 Cb 0.10 -1.59 0.66 0.00 2.34 0.00 0.00 41.12 42.62 2kb2 n ASP 126 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2kb2 h ARG 127 N 17.79 0.09 -0.23 -0.67 2.43 -1.86 0.13 114.38 132.06 2kb2 h ARG 127 Ca -0.18 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 2kb2 h ARG 127 Cb 1.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2kb2 h ARG 127 CO 1.13 0.06 -0.37 1.98 -1.51 0.00 0.00 179.97 181.26 2kb2 h MET 128 N 0.09 0.50 0.00 0.20 1.85 -1.94 -2.91 114.93 112.73 2kb2 h MET 128 Ca 0.33 -0.23 -0.12 0.00 -0.61 0.00 0.00 59.70 59.06 2kb2 h MET 128 Cb 1.17 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.18 2kb2 h MET 128 CO -0.03 0.79 -0.66 0.35 -0.40 0.00 0.00 176.91 176.96 2kb2 h PHE 129 N 0.42 0.00 -0.50 1.39 3.57 -1.09 -2.77 116.94 117.96 2kb2 h PHE 129 Ca 0.04 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2kb2 h PHE 129 Cb 0.84 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2kb2 h PHE 129 CO 0.03 0.57 0.21 0.00 -2.23 0.00 0.00 178.31 176.89 2kb2 h ARG 130 N 0.00 0.40 -0.01 1.11 2.47 -0.94 0.14 114.38 117.55 2kb2 h ARG 130 Ca -0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2kb2 h ARG 130 Cb 1.45 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 2kb2 h ARG 130 CO 0.07 0.27 -0.02 -0.07 0.56 0.00 0.00 179.97 180.78 2kb2 h LEU 131 N 0.42 0.04 -0.60 3.04 3.38 -1.60 -1.80 115.31 118.18 2kb2 h LEU 131 Ca 0.23 -0.59 0.12 0.00 0.09 0.00 0.00 57.88 57.74 2kb2 h LEU 131 Cb 0.21 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 2kb2 h LEU 131 CO -0.21 0.62 -0.11 0.25 0.09 0.00 0.00 178.44 179.09 2kb2 h LEU 132 N -0.55 -0.47 -0.23 1.67 5.85 -1.19 0.33 115.31 120.72 2kb2 h LEU 132 Ca -0.00 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2kb2 h LEU 132 Cb 0.61 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 2kb2 h LEU 132 CO 0.00 -0.17 -0.12 -1.28 -0.34 0.00 0.00 178.44 176.53 2kb2 h SER 133 N 0.03 0.00 0.95 1.25 0.87 -0.80 -1.35 113.55 114.50 2kb2 h SER 133 Ca 0.30 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.70 2kb2 h SER 133 Cb 0.46 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2kb2 h SER 133 CO -0.59 0.12 -0.76 0.00 -0.53 0.00 0.00 176.83 175.06 2kb2 h ALA 134 N 1.88 0.63 0.15 6.23 0.00 -0.01 0.13 119.26 128.28 2kb2 h ALA 134 Ca -0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 54.91 53.90 2kb2 h ALA 134 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kb2 h ALA 134 CO 0.01 0.95 -1.52 0.35 0.00 0.00 0.00 179.25 179.05 2kb2 h PHE 135 N 0.00 0.57 -0.25 0.00 3.57 -0.39 0.17 116.94 120.61 2kb2 h PHE 135 Ca -0.01 -0.42 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 2kb2 h PHE 135 Cb 1.45 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2kb2 h PHE 135 CO 0.00 1.44 -0.28 0.82 -2.23 0.00 0.00 178.31 178.06 2kb2 h ILE 136 N 0.09 1.27 0.00 1.41 5.03 -1.22 0.22 117.51 124.31 2kb2 h ILE 136 Ca -0.25 -1.33 -0.10 0.00 -0.12 0.00 0.00 64.86 63.06 2kb2 h ILE 136 Cb 2.04 1.39 -0.01 0.00 -3.03 0.00 0.00 36.82 37.21 2kb2 h ILE 136 CO 0.19 0.42 -0.67 0.00 -0.68 0.00 0.00 178.15 177.41 2kb2 h ALA 137 N 1.27 0.11 0.00 1.87 0.00 -0.80 -3.30 119.26 118.41 2kb2 h ALA 137 Ca 0.06 -0.74 -0.34 0.00 0.00 0.00 0.00 54.91 53.89 2kb2 h ALA 137 Cb 0.72 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2kb2 h ALA 137 CO 0.06 0.43 -2.27 -3.47 0.00 0.00 0.00 179.25 173.99 2kb2 n ASP 138 N -4.56 1.58 -4.02 0.00 -0.08 0.52 -4.94 116.55 105.05 2kb2 n ASP 138 Ca -0.17 -0.07 -0.30 0.00 -1.51 0.00 0.00 54.79 52.73 2kb2 n ASP 138 Cb 0.45 0.15 -0.03 0.00 2.34 0.00 0.00 41.12 44.03 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kb2 n GLY 139 N 2.21 -0.38 0.00 0.27 0.00 0.77 -4.70 105.19 103.36 2kb2 n GLY 139 Ca -0.36 0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.11 -1.98 3.33 -0.02 0.00 -1.26 -4.96 105.19 98.20 2kb2 n GLY 140 Ca -0.26 0.65 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.61 -2.02 -0.02 1.61 5.12 -1.26 -4.98 116.66 114.50 2kb2 n ARG 141 Ca 0.00 1.60 -0.02 0.00 -1.93 0.00 0.00 57.85 57.50 2kb2 n ARG 141 Cb 0.00 -2.94 -0.01 0.00 -1.16 0.00 0.00 32.46 28.35 2kb2 n ARG 141 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2kb2 n TYR 142 N -0.17 0.05 0.00 -1.55 4.02 -1.26 -5.04 117.16 113.21 2kb2 n TYR 142 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2kb2 n TYR 142 Cb 0.62 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kb2 h LEU 144 N 0.00 -0.40 -9.61 0.00 4.07 -2.03 -3.44 115.31 103.91 2kb2 h LEU 144 Ca 0.00 -0.01 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 2kb2 h LEU 144 Cb 0.00 0.10 0.21 0.00 1.08 0.00 0.00 40.66 42.05 2kb2 h LEU 144 CO 0.00 -0.25 -0.72 -0.81 -1.08 0.00 0.00 178.44 175.57 2kb2 n PRO 145 N -5.28 -0.05 -1.46 1.13 -0.04 -1.26 -4.73 135.00 123.31 2kb2 n PRO 145 Ca -0.10 0.02 -0.49 0.00 -0.04 0.00 0.00 63.50 62.89 2kb2 n PRO 145 Cb 0.21 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 2kb2 n PRO 145 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kb2 n GLU 146 N -0.69 1.05 0.04 0.54 1.02 -1.26 -4.80 120.64 116.54 2kb2 n GLU 146 Ca 0.07 0.27 0.21 0.00 -0.02 0.00 0.00 57.16 57.68 2kb2 n GLU 146 Cb 0.53 -2.50 0.73 0.00 -0.02 0.00 0.00 31.44 30.18 2kb2 n GLU 146 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2kb2 h PRO 147 N 12.91 0.00 0.00 3.49 0.11 -1.85 -3.52 132.00 143.14 2kb2 h PRO 147 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2kb2 h PRO 147 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2kb2 h PRO 147 CO 1.04 0.00 0.00 1.47 -0.21 0.00 0.00 178.00 180.30