#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkk n MET 1 N 0.00 0.03 0.00 0.00 -0.00 -1.26 -2.07 117.12 113.82 3gkk n MET 1 Ca 0.00 0.21 0.10 0.00 -0.00 0.00 0.00 57.70 58.01 3gkk n MET 1 Cb 0.00 -1.50 -0.05 0.00 -0.00 0.00 0.00 33.22 31.67 3gkk n MET 1 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3gkk n THR 2 N -1.47 0.00 -0.94 3.17 -2.24 -1.26 -5.00 114.28 106.54 3gkk n THR 2 Ca 0.04 -0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 3gkk n THR 2 Cb 0.18 1.02 0.14 0.00 -2.10 0.00 0.00 70.33 69.58 3gkk n THR 2 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gkk s ASP 3 N -2.83 3.39 0.37 3.42 1.01 -0.88 -4.89 116.67 116.27 3gkk s ASP 3 Ca 0.12 2.21 -0.25 0.00 0.71 0.00 0.00 52.55 55.33 3gkk s ASP 3 Cb 0.17 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 3gkk s ASP 3 CO 0.76 -2.79 1.06 0.00 0.21 0.00 0.00 175.17 174.41 3gkk s ALA 4 N -2.49 3.16 -1.19 5.23 0.00 -1.26 -4.73 121.76 120.48 3gkk s ALA 4 Ca 0.68 0.74 0.17 0.00 0.00 0.00 0.00 51.96 53.56 3gkk s ALA 4 Cb -0.24 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 3gkk s ALA 4 CO 0.54 -0.20 0.81 1.33 0.00 0.00 0.00 175.76 178.25 3gkk n VAL 5 N 0.23 0.00 -3.78 0.00 0.24 -0.20 -4.97 118.33 109.85 3gkk n VAL 5 Ca 0.04 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 3gkk n VAL 5 Cb 0.48 1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.85 3gkk n VAL 5 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3gkk s LEU 6 N -2.51 0.97 -0.17 1.34 2.96 -1.23 -5.06 118.68 114.98 3gkk s LEU 6 Ca 0.10 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 3gkk s LEU 6 Cb 0.14 1.02 -0.01 0.00 0.50 0.00 0.00 46.19 47.83 3gkk s LEU 6 CO 0.58 -0.22 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.68 3gkk s GLU 7 N -0.41 3.36 0.03 1.98 0.41 -1.26 -4.24 118.70 118.56 3gkk s GLU 7 Ca -0.05 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.85 3gkk s GLU 7 Cb -0.04 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.49 3gkk s GLU 7 CO 0.02 0.02 0.10 -0.51 -0.49 0.00 0.00 175.26 174.40 3gkk s LEU 8 N 0.88 3.97 0.35 1.80 1.43 -1.26 -5.07 118.68 120.78 3gkk s LEU 8 Ca -0.03 0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 3gkk s LEU 8 Cb -0.15 -2.44 -0.11 0.00 0.03 0.00 0.00 46.19 43.52 3gkk s LEU 8 CO 0.00 0.23 1.44 -2.84 0.23 0.00 0.00 176.35 175.41 3gkk s PRO 9 N -2.03 4.19 0.29 1.29 0.02 -1.26 -4.87 135.00 132.63 3gkk s PRO 9 Ca 0.26 2.45 0.03 0.00 0.02 0.00 0.00 61.00 63.76 3gkk s PRO 9 Cb -0.12 -3.01 0.61 0.00 0.02 0.00 0.00 34.50 32.00 3gkk s PRO 9 CO 0.18 -0.43 1.81 0.00 -0.33 0.00 0.00 177.00 178.24 3gkk h ALA 10 N 3.37 1.56 0.00 -1.55 0.00 -2.04 -1.68 119.26 118.92 3gkk h ALA 10 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gkk h ALA 10 Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gkk h ALA 10 CO 0.66 0.12 0.04 0.00 0.00 0.00 0.00 179.25 180.07 3gkk h ALA 11 N 1.58 1.03 -0.50 0.00 0.00 -2.02 -2.43 119.26 116.92 3gkk h ALA 11 Ca 0.52 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.46 3gkk h ALA 11 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3gkk h ALA 11 CO -0.31 -0.03 0.33 1.15 0.00 0.00 0.00 179.25 180.39 3gkk h THR 12 N 0.00 1.07 0.00 0.00 2.02 -1.66 -2.55 112.91 111.79 3gkk h THR 12 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3gkk h THR 12 Cb 0.07 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3gkk h THR 12 CO 0.00 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.49 3gkk n PHE 13 N -4.47 0.00 -0.45 3.16 3.01 -0.92 -2.68 117.46 115.12 3gkk n PHE 13 Ca 0.05 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.54 3gkk n PHE 13 Cb 0.12 -0.41 0.05 0.00 -0.01 0.00 0.00 39.48 39.23 3gkk n PHE 13 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gkk n ASP 14 N -1.41 1.96 -4.72 4.37 9.92 -0.96 -1.35 116.55 124.35 3gkk n ASP 14 Ca 0.04 -2.30 -0.42 0.00 -0.53 0.00 0.00 54.79 51.59 3gkk n ASP 14 Cb 0.13 -0.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.43 3gkk n ASP 14 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3gkk s LEU 15 N -1.53 4.41 0.16 0.64 1.43 -1.09 -4.98 118.68 117.72 3gkk s LEU 15 Ca 0.10 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 3gkk s LEU 15 Cb 0.09 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 3gkk s LEU 15 CO 0.01 -0.41 1.25 -2.16 0.23 0.00 0.00 176.35 175.27 3gkk s PRO 16 N 0.51 4.44 -0.13 1.29 0.04 -1.26 -4.55 135.00 135.34 3gkk s PRO 16 Ca 0.56 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.55 3gkk s PRO 16 Cb -0.30 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.00 3gkk s PRO 16 CO 0.32 -0.20 -0.20 -0.51 0.04 0.00 0.00 177.00 176.46 3gkk s LEU 17 N 0.13 1.98 -0.16 -3.56 1.43 -0.33 -4.73 118.68 113.44 3gkk s LEU 17 Ca 0.56 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.84 3gkk s LEU 17 Cb -0.34 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3gkk s LEU 17 CO 0.35 0.06 0.90 -0.44 0.23 0.00 0.00 176.35 177.45 3gkk s SER 18 N 0.87 7.05 0.73 2.29 0.01 -0.74 -1.16 113.70 122.75 3gkk s SER 18 Ca -0.07 1.29 -0.02 0.00 1.31 0.00 0.00 55.95 58.47 3gkk s SER 18 Cb -0.15 -2.49 0.14 0.00 0.21 0.00 0.00 66.02 63.72 3gkk s SER 18 CO -0.02 -0.44 0.91 0.18 0.41 0.00 0.00 173.24 174.29 3gkk n LEU 19 N 5.27 0.00 -4.77 2.44 4.77 0.08 -0.98 117.00 123.81 3gkk n LEU 19 Ca 0.06 -1.79 -0.39 0.00 -0.03 0.00 0.00 56.01 53.87 3gkk n LEU 19 Cb 0.48 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 3gkk n LEU 19 CO 0.50 -0.98 0.68 -0.55 -1.33 0.00 0.00 177.39 175.71 3gkk s SER 20 N -4.66 7.38 0.00 -1.43 0.15 -1.26 -2.60 113.70 111.28 3gkk s SER 20 Ca 0.59 1.98 0.00 0.00 0.70 0.00 0.00 55.95 59.22 3gkk s SER 20 Cb -0.03 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 3gkk s SER 20 CO 0.40 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.40 3gkk n GLY 21 N 0.99 3.42 0.42 9.45 0.00 -1.26 -4.45 105.19 113.76 3gkk n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gkk n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gkk n GLY 22 N -1.84 0.70 3.90 -0.02 0.00 -1.07 -5.08 105.19 101.78 3gkk n GLY 22 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3gkk n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gkk s THR 23 N -2.19 2.22 0.30 2.61 -4.23 -1.26 -4.71 115.64 108.38 3gkk s THR 23 Ca 0.00 0.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.61 3gkk s THR 23 Cb 0.00 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 3gkk s THR 23 CO 0.00 -0.07 0.04 -1.10 -0.54 0.00 0.00 174.62 172.95 3gkk s GLN 24 N -5.50 2.28 0.23 3.99 -1.52 -1.26 -0.74 119.66 117.14 3gkk s GLN 24 Ca 0.61 -1.51 -0.01 0.00 -1.95 0.00 0.00 55.36 52.50 3gkk s GLN 24 Cb -0.11 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 30.52 3gkk s GLN 24 CO 0.49 0.25 0.20 -0.08 -0.25 0.00 0.00 175.29 175.90 3gkk s THR 25 N -2.39 0.00 0.24 -0.19 -1.32 -0.31 -4.93 115.64 106.75 3gkk s THR 25 Ca 0.34 -1.93 -0.06 0.00 -1.21 0.00 0.00 61.69 58.83 3gkk s THR 25 Cb -0.04 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3gkk s THR 25 CO 0.21 0.00 0.33 0.42 -2.21 0.00 0.00 174.62 173.36 3gkk s THR 26 N -3.98 0.00 0.27 5.08 -4.23 -1.26 -1.19 115.64 110.32 3gkk s THR 26 Ca 0.37 -1.70 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 3gkk s THR 26 Cb 0.05 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 3gkk s THR 26 CO 0.15 0.00 1.62 -0.07 -0.54 0.00 0.00 174.62 175.78 3gkk h LEU 27 N 2.38 0.21 -1.38 4.79 3.38 -1.80 -2.85 115.31 120.05 3gkk h LEU 27 Ca -0.30 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3gkk h LEU 27 Cb 1.25 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3gkk h LEU 27 CO 0.43 0.71 0.37 -0.09 0.09 0.00 0.00 178.44 179.96 3gkk h ARG 28 N 0.15 0.79 0.00 1.13 2.43 -1.57 0.02 114.38 117.33 3gkk h ARG 28 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3gkk h ARG 28 Cb 1.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3gkk h ARG 28 CO 0.08 0.54 0.00 0.00 -1.51 0.00 0.00 179.97 179.08 3gkk h ALA 29 N 1.60 1.00 -0.37 2.80 0.00 -1.77 -1.41 119.26 121.12 3gkk h ALA 29 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gkk h ALA 29 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gkk h ALA 29 CO -0.04 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.93 3gkk n HIS 30 N -3.04 0.47 -2.02 0.00 8.25 -0.01 -4.97 115.22 113.90 3gkk n HIS 30 Ca -0.02 -0.24 -0.36 0.00 -0.26 0.00 0.00 57.72 56.84 3gkk n HIS 30 Cb 0.14 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.28 3gkk n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gkk s ALA 31 N -1.53 2.61 0.00 -1.41 0.00 -0.53 -3.37 121.76 117.53 3gkk s ALA 31 Ca 0.38 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3gkk s ALA 31 Cb 0.22 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3gkk s ALA 31 CO 0.31 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.34 3gkk n GLY 32 N 0.53 2.06 3.19 0.00 0.00 -0.41 -5.04 105.19 105.51 3gkk n GLY 32 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 3gkk n GLY 32 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3gkk s HIS 33 N -2.46 0.31 0.61 1.61 -3.43 -1.22 -4.87 115.29 105.84 3gkk s HIS 33 Ca 0.00 -0.76 -0.18 0.00 -0.80 0.00 0.00 55.06 53.32 3gkk s HIS 33 Cb 0.00 -0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 30.96 3gkk s HIS 33 CO 0.00 -0.52 1.19 -1.58 -2.00 0.00 0.00 174.74 171.83 3gkk s TRP 34 N -3.90 2.39 -0.04 0.38 0.52 -0.77 -3.89 118.94 113.63 3gkk s TRP 34 Ca 0.08 1.53 0.00 0.00 0.02 0.00 0.00 56.10 57.73 3gkk s TRP 34 Cb 0.06 -3.43 0.03 0.00 -1.15 0.00 0.00 33.47 28.97 3gkk s TRP 34 CO -0.09 -2.16 -0.01 -1.17 0.02 0.00 0.00 176.95 173.54 3gkk s LEU 35 N -4.25 1.03 -0.29 2.99 2.96 -0.49 -1.36 118.68 119.27 3gkk s LEU 35 Ca 0.76 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 54.50 3gkk s LEU 35 Cb -0.29 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 3gkk s LEU 35 CO 0.35 -0.12 0.17 -0.69 -1.32 0.00 0.00 176.35 174.74 3gkk s VAL 36 N 1.26 5.00 -0.25 1.68 1.01 -0.23 -0.89 120.40 127.98 3gkk s VAL 36 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3gkk s VAL 36 Cb -0.13 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3gkk s VAL 36 CO -0.02 0.20 -0.07 -0.63 0.00 0.00 0.00 175.10 174.58 3gkk s ILE 37 N 1.70 2.71 -0.05 2.22 1.01 -0.48 -0.79 121.20 127.52 3gkk s ILE 37 Ca 0.06 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.57 3gkk s ILE 37 Cb -0.16 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3gkk s ILE 37 CO 0.09 0.13 -0.19 -0.72 0.00 0.00 0.00 174.94 174.25 3gkk s TYR 38 N 1.27 2.59 -0.09 3.97 1.13 -0.57 -0.74 117.35 124.91 3gkk s TYR 38 Ca -0.02 -0.37 -0.02 0.00 -1.41 0.00 0.00 57.07 55.26 3gkk s TYR 38 Cb -0.17 -1.62 -0.03 0.00 -1.10 0.00 0.00 41.96 39.03 3gkk s TYR 38 CO -0.05 0.03 -0.00 -0.06 -2.51 0.00 0.00 175.55 172.96 3gkk s PHE 39 N -0.49 3.14 0.03 -3.49 0.08 0.16 -0.15 117.98 117.25 3gkk s PHE 39 Ca 0.06 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.29 3gkk s PHE 39 Cb -0.12 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 3gkk s PHE 39 CO 0.01 0.42 -0.07 1.52 -0.10 0.00 0.00 175.22 177.00 3gkk s TYR 40 N -0.77 0.62 0.39 0.36 1.13 -0.62 -2.37 117.35 116.09 3gkk s TYR 40 Ca 0.12 -0.38 -0.23 0.00 -1.41 0.00 0.00 57.07 55.17 3gkk s TYR 40 Cb -0.11 -0.38 -0.10 0.00 -1.10 0.00 0.00 41.96 40.27 3gkk s TYR 40 CO 0.02 -0.06 0.98 -1.25 -2.51 0.00 0.00 175.55 172.74 3gkk s PRO 41 N -1.14 4.29 0.38 -3.49 0.04 -1.26 -4.54 135.00 129.27 3gkk s PRO 41 Ca -0.06 1.32 0.21 0.00 0.04 0.00 0.00 61.00 62.50 3gkk s PRO 41 Cb -0.08 -2.48 0.51 0.00 0.04 0.00 0.00 34.50 32.50 3gkk s PRO 41 CO 0.00 0.01 1.65 0.87 0.04 0.00 0.00 177.00 179.57 3gkk h LYS 42 N 2.46 0.00 0.00 4.56 1.79 -1.90 -3.24 116.57 120.23 3gkk h LYS 42 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3gkk h LYS 42 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3gkk h LYS 42 CO 0.62 0.30 0.00 -0.40 -1.08 0.00 0.00 179.45 178.89 3gkk n ASP 43 N -3.28 0.00 -3.52 0.86 3.85 -1.26 -4.37 116.55 108.83 3gkk n ASP 43 Ca 0.01 -1.29 -0.29 0.00 -0.71 0.00 0.00 54.79 52.51 3gkk n ASP 43 Cb 0.56 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.21 3gkk n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3gkk s SER 44 N -1.45 3.14 0.11 -1.12 0.15 -1.23 -4.99 113.70 108.32 3gkk s SER 44 Ca 0.09 -2.22 -0.15 0.00 0.70 0.00 0.00 55.95 54.37 3gkk s SER 44 Cb 0.04 -0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 3gkk s SER 44 CO 0.07 -0.31 1.53 0.74 1.20 0.00 0.00 173.24 176.47 3gkk h THR 45 N 5.15 1.27 -0.91 6.45 2.02 -1.86 -2.00 112.91 123.03 3gkk h THR 45 Ca 0.03 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3gkk h THR 45 Cb 0.96 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 3gkk h THR 45 CO 0.31 0.36 0.58 -0.65 0.37 0.00 0.00 175.52 176.49 3gkk h PRO 46 N 0.46 1.21 -0.20 6.66 0.11 -1.98 0.22 132.00 138.49 3gkk h PRO 46 Ca 0.09 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3gkk h PRO 46 Cb 0.54 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3gkk h PRO 46 CO 0.03 0.83 -0.35 0.78 -0.21 0.00 0.00 178.00 179.07 3gkk h GLY 47 N 1.24 0.46 0.91 -0.55 0.00 -1.95 -1.18 103.07 102.00 3gkk h GLY 47 Ca 0.33 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3gkk h GLY 47 CO -0.07 0.39 -0.15 0.00 0.00 0.00 0.00 176.54 176.71 3gkk h THR 49 N 0.37 1.15 -0.19 0.00 2.02 -0.82 -1.74 112.91 113.70 3gkk h THR 49 Ca 0.06 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 3gkk h THR 49 Cb 0.67 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3gkk h THR 49 CO 0.04 0.14 -0.04 0.74 0.37 0.00 0.00 175.52 176.77 3gkk h THR 50 N 0.07 1.28 -0.74 3.16 2.02 -1.23 -0.87 112.91 116.61 3gkk h THR 50 Ca 0.05 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.19 3gkk h THR 50 Cb 0.16 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3gkk h THR 50 CO -0.00 0.31 0.36 -0.08 0.37 0.00 0.00 175.52 176.47 3gkk h GLU 51 N 0.09 1.07 -0.26 6.66 4.81 -1.37 -1.44 114.58 124.14 3gkk h GLU 51 Ca 0.05 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3gkk h GLU 51 Cb 0.49 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3gkk h GLU 51 CO 0.02 0.83 0.10 0.78 -0.73 0.00 0.00 179.01 180.01 3gkk h GLY 52 N 1.04 0.42 1.78 1.92 0.00 -1.23 -2.43 103.07 104.57 3gkk h GLY 52 Ca 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3gkk h GLY 52 CO -0.03 0.22 -0.11 1.41 0.00 0.00 0.00 176.54 178.02 3gkk h LEU 53 N 0.27 0.26 -0.07 3.11 3.38 -0.96 -0.03 115.31 121.26 3gkk h LEU 53 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gkk h LEU 53 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gkk h LEU 53 CO -0.01 0.40 0.01 0.44 0.09 0.00 0.00 178.44 179.37 3gkk h ASP 54 N 0.26 0.12 -0.54 -0.43 3.32 -1.04 -1.04 116.42 117.07 3gkk h ASP 54 Ca 0.05 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 3gkk h ASP 54 Cb 0.36 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3gkk h ASP 54 CO 0.02 0.37 0.07 -0.26 -1.72 0.00 0.00 179.24 177.72 3gkk h PHE 55 N -0.13 0.99 -0.79 4.55 0.04 -1.25 -2.81 116.94 117.55 3gkk h PHE 55 Ca 0.02 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3gkk h PHE 55 Cb 0.30 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 3gkk h PHE 55 CO 0.02 0.86 0.39 -0.97 -0.60 0.00 0.00 178.31 178.01 3gkk h ASN 56 N 0.89 1.01 0.49 2.17 -1.24 -0.81 -0.21 115.58 117.87 3gkk h ASN 56 Ca 0.18 -0.11 -0.08 0.00 0.71 0.00 0.00 56.30 57.00 3gkk h ASN 56 Cb 0.42 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3gkk h ASN 56 CO 0.01 0.84 -0.37 0.00 -1.29 0.00 0.00 177.43 176.63 3gkk h ALA 57 N 1.31 1.25 -0.05 1.57 0.00 -0.98 -2.89 119.26 119.48 3gkk h ALA 57 Ca 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gkk h ALA 57 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gkk h ALA 57 CO -0.04 0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.95 3gkk n LEU 58 N -3.90 2.64 -0.32 0.00 4.77 -0.81 -4.55 117.00 114.83 3gkk n LEU 58 Ca -0.01 -0.90 0.11 0.00 -0.03 0.00 0.00 56.01 55.18 3gkk n LEU 58 Cb 0.43 -0.01 0.29 0.00 -2.33 0.00 0.00 43.42 41.79 3gkk n LEU 58 CO 0.38 0.45 1.12 0.25 -1.33 0.00 0.00 177.39 178.26 3gkk h LEU 59 N 4.10 0.57 -1.11 2.23 5.85 -0.83 -1.29 115.31 124.83 3gkk h LEU 59 Ca 0.00 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3gkk h LEU 59 Cb 0.87 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3gkk h LEU 59 CO 0.00 0.18 0.61 -0.65 -0.34 0.00 0.00 178.44 178.23 3gkk h PRO 60 N 0.61 1.16 -0.06 5.25 0.11 -1.82 0.54 132.00 137.79 3gkk h PRO 60 Ca 0.54 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 66.37 3gkk h PRO 60 Cb 0.87 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 3gkk h PRO 60 CO -0.42 0.77 -0.81 0.93 -0.21 0.00 0.00 178.00 178.26 3gkk h GLU 61 N 1.20 0.45 -0.55 1.05 5.08 -1.61 -2.19 114.58 118.01 3gkk h GLU 61 Ca 0.35 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3gkk h GLU 61 Cb -0.06 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3gkk h GLU 61 CO -0.09 1.05 0.17 0.74 -1.00 0.00 0.00 179.01 179.88 3gkk h PHE 62 N 0.29 0.89 -0.43 4.33 0.04 -0.84 -1.32 116.94 119.89 3gkk h PHE 62 Ca -0.05 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3gkk h PHE 62 Cb 1.41 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 39.28 3gkk h PHE 62 CO 0.05 0.75 0.26 0.22 -0.60 0.00 0.00 178.31 179.00 3gkk h ASP 63 N 0.76 0.51 0.34 2.17 3.58 -0.83 -1.12 116.42 121.84 3gkk h ASP 63 Ca 0.18 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 3gkk h ASP 63 Cb 0.28 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3gkk h ASP 63 CO -0.01 0.41 -0.28 0.11 -2.88 0.00 0.00 179.24 176.59 3gkk h LYS 64 N 0.57 0.00 -0.01 0.28 1.57 -1.23 -1.30 116.57 116.44 3gkk h LYS 64 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3gkk h LYS 64 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3gkk h LYS 64 CO -0.03 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.13 3gkk n ALA 65 N -2.44 2.65 -1.23 3.86 0.00 -0.51 -4.91 120.51 117.93 3gkk n ALA 65 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3gkk n ALA 65 Cb 0.34 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3gkk n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gkk n GLY 66 N 0.95 0.69 3.25 0.00 0.00 -0.49 -4.97 105.19 104.62 3gkk n GLY 66 Ca 0.20 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 3gkk n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkk s ALA 67 N -2.00 1.47 0.30 4.61 0.00 -0.49 -1.85 121.76 123.79 3gkk s ALA 67 Ca 0.00 -1.41 0.10 0.00 0.00 0.00 0.00 51.96 50.65 3gkk s ALA 67 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3gkk s ALA 67 CO 0.00 -0.02 -0.05 0.15 0.00 0.00 0.00 175.76 175.84 3gkk s LYS 68 N -3.30 2.04 0.03 0.00 1.02 -0.46 -3.75 119.74 115.32 3gkk s LYS 68 Ca 0.13 -1.64 0.07 0.00 0.02 0.00 0.00 55.97 54.55 3gkk s LYS 68 Cb -0.01 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 3gkk s LYS 68 CO 0.02 0.27 -0.21 0.42 -0.92 0.00 0.00 175.35 174.92 3gkk s ILE 69 N -2.45 1.71 -0.07 2.17 1.01 -1.26 -1.07 121.20 121.25 3gkk s ILE 69 Ca 0.32 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3gkk s ILE 69 Cb -0.04 -1.47 0.03 0.00 0.01 0.00 0.00 42.46 40.99 3gkk s ILE 69 CO 0.18 0.29 -0.01 -0.76 0.00 0.00 0.00 174.94 174.64 3gkk s LEU 70 N -1.01 0.81 -0.23 2.97 1.43 0.03 -4.07 118.68 118.61 3gkk s LEU 70 Ca 0.08 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 3gkk s LEU 70 Cb -0.09 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 3gkk s LEU 70 CO 0.01 -0.15 0.15 -0.83 0.23 0.00 0.00 176.35 175.76 3gkk s GLY 71 N 1.69 2.00 -0.03 -3.19 0.00 -0.64 -1.51 107.32 105.63 3gkk s GLY 71 Ca 0.01 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 43.95 3gkk s GLY 71 CO -0.04 0.33 -0.23 0.14 0.00 0.00 0.00 173.10 173.31 3gkk s VAL 72 N 0.89 1.82 0.02 1.40 1.01 0.79 -0.22 120.40 126.12 3gkk s VAL 72 Ca 0.08 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3gkk s VAL 72 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3gkk s VAL 72 CO 0.03 0.51 0.03 -0.24 0.00 0.00 0.00 175.10 175.44 3gkk n SER 73 N 2.77 -0.09 -3.86 3.32 2.88 -0.96 -1.59 113.62 116.08 3gkk n SER 73 Ca -0.17 -1.12 -0.26 0.00 -1.33 0.00 0.00 58.87 55.99 3gkk n SER 73 Cb 0.52 0.17 -0.17 0.00 -0.75 0.00 0.00 64.21 63.98 3gkk n SER 73 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3gkk s ARG 74 N -2.04 1.25 0.13 -1.46 3.00 -1.26 -0.28 118.95 118.28 3gkk s ARG 74 Ca 0.02 -0.27 -0.35 0.00 -1.00 0.00 0.00 55.73 54.13 3gkk s ARG 74 Cb -0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 34.95 33.18 3gkk s ARG 74 CO 0.01 -0.35 1.47 -0.25 0.00 0.00 0.00 175.30 176.18 3gkk n ASP 75 N 4.97 2.42 -3.98 -2.12 10.43 -1.26 -4.89 116.55 122.13 3gkk n ASP 75 Ca -0.11 1.10 -0.23 0.00 2.57 0.00 0.00 54.79 58.12 3gkk n ASP 75 Cb 0.49 -1.32 -0.16 0.00 1.84 0.00 0.00 41.12 41.97 3gkk n ASP 75 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3gkk s SER 76 N 0.71 1.51 0.31 -2.24 0.15 -1.26 -4.98 113.70 107.90 3gkk s SER 76 Ca 0.81 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 57.23 3gkk s SER 76 Cb -0.81 -0.70 0.54 0.00 -1.71 0.00 0.00 66.02 63.34 3gkk s SER 76 CO 0.42 -0.00 1.93 0.58 1.20 0.00 0.00 173.24 177.37 3gkk h VAL 77 N 6.03 1.10 -0.21 4.45 2.07 -2.04 -3.54 116.25 124.11 3gkk h VAL 77 Ca -0.33 -0.35 -0.44 0.00 0.82 0.00 0.00 66.70 66.40 3gkk h VAL 77 Cb 1.17 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3gkk h VAL 77 CO 0.47 0.18 1.45 2.29 0.02 0.00 0.00 177.57 181.98 3gkk n LYS 78 N -4.47 2.87 0.00 1.57 2.85 -1.26 -5.29 118.16 114.43 3gkk n LYS 78 Ca 0.12 -1.78 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 3gkk n LYS 78 Cb 0.16 -2.35 0.00 0.00 -0.65 0.00 0.00 35.03 32.19 3gkk n LYS 78 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3gkk n ASN 82 N 2.64 0.00 0.01 -5.58 5.15 -1.26 -5.10 115.26 111.13 3gkk n ASN 82 Ca 0.58 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.69 3gkk n ASN 82 Cb 0.58 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 40.40 3gkk n ASN 82 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3gkk h PHE 83 N 0.00 0.23 -0.24 1.20 3.04 -1.99 -1.69 116.94 117.49 3gkk h PHE 83 Ca 0.00 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.86 3gkk h PHE 83 Cb 0.00 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.43 3gkk h PHE 83 CO 0.00 0.12 -0.23 0.00 -2.02 0.00 0.00 178.31 176.18 3gkk h ALA 85 N 0.68 1.67 0.00 0.00 0.00 -1.75 -2.35 119.26 117.50 3gkk h ALA 85 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gkk h ALA 85 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gkk h ALA 85 CO 0.06 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.19 3gkk n LYS 86 N -4.30 0.17 -0.34 0.00 5.02 -0.80 -3.84 118.16 114.07 3gkk n LYS 86 Ca -0.02 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.62 3gkk n LYS 86 Cb 0.26 -1.77 0.24 0.00 -0.02 0.00 0.00 35.03 33.74 3gkk n LYS 86 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3gkk h GLN 87 N 0.00 0.98 -2.02 1.97 1.08 -1.37 -3.47 115.11 112.28 3gkk h GLN 87 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3gkk h GLN 87 Cb 0.48 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3gkk h GLN 87 CO 0.00 0.65 0.00 0.41 -0.95 0.00 0.00 178.83 178.94 3gkk n GLY 88 N -1.38 0.76 3.77 3.46 0.00 -1.25 -5.05 105.19 105.51 3gkk n GLY 88 Ca 0.16 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3gkk n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gkk s PHE 89 N -2.68 3.01 -2.00 1.61 2.99 -1.26 -4.90 117.98 114.75 3gkk s PHE 89 Ca 0.00 1.55 0.17 0.00 0.00 0.00 0.00 56.93 58.66 3gkk s PHE 89 Cb 0.00 -3.37 1.04 0.00 0.00 0.00 0.00 43.02 40.69 3gkk s PHE 89 CO 0.00 -1.33 1.55 0.00 -0.00 0.00 0.00 175.22 175.44 3gkk n ALA 90 N -0.14 2.43 -2.44 5.36 0.00 -1.26 -4.69 120.51 119.77 3gkk n ALA 90 Ca 0.05 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 3gkk n ALA 90 Cb 0.47 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 3gkk n ALA 90 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3gkk s PHE 91 N -2.00 1.98 0.30 0.00 -0.12 -1.26 -5.09 117.98 111.79 3gkk s PHE 91 Ca 0.26 -0.44 -0.29 0.00 -0.05 0.00 0.00 56.93 56.42 3gkk s PHE 91 Cb 0.12 -0.95 -0.09 0.00 -0.63 0.00 0.00 43.02 41.46 3gkk s PHE 91 CO 0.20 0.43 1.11 -1.25 -0.05 0.00 0.00 175.22 175.66 3gkk s PRO 92 N -2.99 4.55 -0.14 1.99 0.04 -1.26 -4.93 135.00 132.26 3gkk s PRO 92 Ca 0.20 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 3gkk s PRO 92 Cb -0.05 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3gkk s PRO 92 CO 0.09 0.13 -0.01 -0.51 0.04 0.00 0.00 177.00 176.74 3gkk s LEU 93 N -1.63 3.45 0.16 -3.56 1.43 -1.26 -1.62 118.68 115.65 3gkk s LEU 93 Ca 0.47 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 3gkk s LEU 93 Cb -0.31 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3gkk s LEU 93 CO 0.40 0.22 -0.14 0.68 0.23 0.00 0.00 176.35 177.75 3gkk s VAL 94 N 0.08 1.49 -0.18 -1.59 -7.23 0.70 -4.30 120.40 109.37 3gkk s VAL 94 Ca 0.01 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3gkk s VAL 94 Cb -0.13 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 3gkk s VAL 94 CO 0.02 -0.56 -0.04 -0.55 -0.31 0.00 0.00 175.10 173.66 3gkk s SER 95 N -2.99 4.58 -1.12 4.85 0.15 -0.15 -2.27 113.70 116.74 3gkk s SER 95 Ca 0.17 -0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.47 3gkk s SER 95 Cb -0.01 -1.76 0.24 0.00 -1.71 0.00 0.00 66.02 62.77 3gkk s SER 95 CO 0.04 0.10 1.20 -0.62 1.20 0.00 0.00 173.24 175.16 3gkk s ASP 96 N 0.78 7.20 0.24 5.45 2.15 0.61 -1.80 116.67 131.30 3gkk s ASP 96 Ca -0.02 -3.32 -0.10 0.00 0.43 0.00 0.00 52.55 49.55 3gkk s ASP 96 Cb -0.15 -2.28 0.35 0.00 -0.30 0.00 0.00 42.92 40.55 3gkk s ASP 96 CO 0.02 -0.47 1.40 0.61 -0.17 0.00 0.00 175.17 176.56 3gkk n GLY 97 N 3.29 -1.62 1.03 2.66 0.00 -1.26 -1.61 105.19 107.69 3gkk n GLY 97 Ca 0.27 0.97 0.08 0.00 0.00 0.00 0.00 46.02 47.35 3gkk n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gkk n ASP 98 N -5.42 3.77 -0.26 1.61 3.85 -1.26 -4.84 116.55 114.00 3gkk n ASP 98 Ca 0.13 -2.36 -0.03 0.00 -0.71 0.00 0.00 54.79 51.81 3gkk n ASP 98 Cb 0.42 -0.43 -0.01 0.00 -1.35 0.00 0.00 41.12 39.75 3gkk n ASP 98 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3gkk n GLU 99 N 0.56 -1.17 0.05 0.11 1.02 -0.63 -4.91 120.64 115.67 3gkk n GLU 99 Ca 0.19 0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 57.70 3gkk n GLU 99 Cb 0.68 -4.46 -0.05 0.00 -0.02 0.00 0.00 31.44 27.59 3gkk n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gkk h ALA 100 N 0.00 -0.10 -0.70 0.62 0.00 -1.93 0.05 119.26 117.20 3gkk h ALA 100 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gkk h ALA 100 Cb 0.69 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3gkk h ALA 100 CO 0.10 -0.58 0.31 1.25 0.00 0.00 0.00 179.25 180.33 3gkk h LEU 101 N -0.15 0.93 -0.50 0.00 5.85 -1.91 -1.96 115.31 117.57 3gkk h LEU 101 Ca 0.03 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3gkk h LEU 101 Cb 0.19 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3gkk h LEU 101 CO -0.09 0.83 0.26 0.00 -0.34 0.00 0.00 178.44 179.10 3gkk h ARG 103 N 0.51 0.41 -0.68 0.00 3.08 -0.69 -1.12 114.38 115.89 3gkk h ARG 103 Ca 0.22 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3gkk h ARG 103 Cb 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3gkk h ARG 103 CO -0.14 0.55 0.27 0.00 -1.07 0.00 0.00 179.97 179.57 3gkk h ALA 104 N 1.48 1.19 -0.01 0.04 0.00 -0.78 -1.48 119.26 119.70 3gkk h ALA 104 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gkk h ALA 104 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gkk h ALA 104 CO 0.03 0.59 -0.09 1.19 0.00 0.00 0.00 179.25 180.97 3gkk n PHE 105 N -4.30 0.00 -3.56 0.00 3.01 -0.98 -4.84 117.46 106.79 3gkk n PHE 105 Ca 0.06 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.30 3gkk n PHE 105 Cb 0.18 -0.06 0.08 0.00 -0.01 0.00 0.00 39.48 39.67 3gkk n PHE 105 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3gkk n ASP 106 N -0.31 -4.28 -0.72 4.37 2.03 -0.49 -4.93 116.55 112.22 3gkk n ASP 106 Ca 0.17 -0.60 0.12 0.00 0.52 0.00 0.00 54.79 54.99 3gkk n ASP 106 Cb 0.32 -4.94 0.08 0.00 -0.72 0.00 0.00 41.12 35.86 3gkk n ASP 106 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3gkk n VAL 107 N -4.61 0.00 -2.83 5.18 0.24 -0.78 -4.86 118.33 110.67 3gkk n VAL 107 Ca -0.12 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 3gkk n VAL 107 Cb 0.61 1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 34.26 3gkk n VAL 107 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gkk s ILE 108 N -2.23 4.64 0.20 1.34 -1.09 -1.26 -0.67 121.20 122.13 3gkk s ILE 108 Ca 0.24 1.24 0.05 0.00 -2.23 0.00 0.00 60.65 59.95 3gkk s ILE 108 Cb 0.19 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 3gkk s ILE 108 CO 0.43 -0.44 -0.07 -0.54 -1.23 0.00 0.00 174.94 173.09 3gkk s LYS 109 N 3.33 1.24 -0.02 2.79 -0.14 0.31 -4.90 119.74 122.34 3gkk s LYS 109 Ca 0.37 -1.58 -0.30 0.00 -1.36 0.00 0.00 55.97 53.10 3gkk s LYS 109 Cb -0.13 -0.74 -0.03 0.00 -1.68 0.00 0.00 37.83 35.25 3gkk s LYS 109 CO 0.16 0.03 1.07 -2.00 -0.76 0.00 0.00 175.35 173.85 3gkk s GLU 110 N -3.77 4.47 0.16 1.68 2.12 -1.26 -0.95 118.70 121.15 3gkk s GLU 110 Ca 0.23 1.53 0.07 0.00 0.36 0.00 0.00 54.97 57.16 3gkk s GLU 110 Cb 0.03 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3gkk s GLU 110 CO 0.05 -0.21 -0.14 0.15 -0.54 0.00 0.00 175.26 174.57 3gkk s LYS 111 N 1.41 1.18 -0.31 4.30 1.02 0.22 -4.95 119.74 122.61 3gkk s LYS 111 Ca 0.53 -1.42 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 3gkk s LYS 111 Cb -0.23 -1.02 -0.02 0.00 -0.52 0.00 0.00 37.83 36.04 3gkk s LYS 111 CO 0.25 0.18 0.19 1.21 -0.92 0.00 0.00 175.35 176.26 3gkk s ASN 112 N -2.89 5.80 -0.40 2.83 3.84 -1.26 -0.40 114.94 122.46 3gkk s ASN 112 Ca 0.16 -0.35 0.00 0.00 0.21 0.00 0.00 52.86 52.88 3gkk s ASN 112 Cb -0.03 -2.07 0.11 0.00 -0.55 0.00 0.00 41.25 38.72 3gkk s ASN 112 CO 0.05 -0.17 0.16 -0.32 -2.79 0.00 0.00 177.10 174.03 3gkk s MET 113 N 1.68 1.81 -1.60 0.43 -2.45 0.15 -4.74 119.30 114.58 3gkk s MET 113 Ca 0.06 -1.93 -0.15 0.00 -1.25 0.00 0.00 55.69 52.42 3gkk s MET 113 Cb -0.17 -3.42 0.11 0.00 1.25 0.00 0.00 34.83 32.60 3gkk s MET 113 CO 0.09 -1.03 0.86 0.66 1.05 0.00 0.00 175.02 176.65 3gkk n TYR 114 N 4.31 -2.01 0.00 4.11 4.01 -1.26 -1.64 117.16 124.68 3gkk n TYR 114 Ca 0.01 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.60 3gkk n TYR 114 Cb 0.41 -3.51 0.00 0.00 -0.31 0.00 0.00 39.34 35.93 3gkk n TYR 114 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gkk n GLY 115 N -1.57 3.21 3.71 2.72 0.00 -1.26 -5.06 105.19 106.94 3gkk n GLY 115 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3gkk n GLY 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gkk s LYS 116 N -0.66 4.17 -0.23 1.61 2.20 -0.65 -5.05 119.74 121.12 3gkk s LYS 116 Ca 0.00 -0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.12 3gkk s LYS 116 Cb 0.00 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 3gkk s LYS 116 CO 0.00 0.23 1.11 -0.65 -0.36 0.00 0.00 175.35 175.67 3gkk s GLN 117 N 0.57 4.21 0.30 4.03 -1.52 -1.26 -0.68 119.66 125.30 3gkk s GLN 117 Ca 0.09 1.37 0.03 0.00 -1.95 0.00 0.00 55.36 54.90 3gkk s GLN 117 Cb -0.12 -3.69 -0.06 0.00 -0.22 0.00 0.00 33.01 28.92 3gkk s GLN 117 CO 0.00 -0.72 0.07 0.14 -0.25 0.00 0.00 175.29 174.54 3gkk s VAL 118 N 3.40 0.99 -0.07 1.09 -7.23 0.46 -4.95 120.40 114.09 3gkk s VAL 118 Ca 0.47 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 3gkk s VAL 118 Cb -0.16 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 3gkk s VAL 118 CO 0.10 -0.01 0.08 -0.76 -0.31 0.00 0.00 175.10 174.21 3gkk s LEU 119 N -3.43 3.99 0.38 1.32 1.43 -1.26 0.68 118.68 121.80 3gkk s LEU 119 Ca 0.37 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 3gkk s LEU 119 Cb 0.08 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.28 3gkk s LEU 119 CO 0.15 0.35 0.81 -0.83 0.23 0.00 0.00 176.35 177.06 3gkk s GLY 120 N -1.24 0.39 -0.15 -3.19 0.00 -0.12 -4.91 107.32 98.10 3gkk s GLY 120 Ca 0.17 -0.76 -0.23 0.00 0.00 0.00 0.00 44.72 43.90 3gkk s GLY 120 CO 0.07 -0.15 0.73 -0.42 0.00 0.00 0.00 173.10 173.33 3gkk s ILE 121 N -2.18 4.97 -0.25 0.90 1.01 -1.26 -0.53 121.20 123.86 3gkk s ILE 121 Ca 0.16 1.44 -0.22 0.00 0.00 0.00 0.00 60.65 62.03 3gkk s ILE 121 Cb -0.05 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3gkk s ILE 121 CO 0.11 0.11 0.69 -0.70 0.00 0.00 0.00 174.94 175.16 3gkk s GLU 122 N 1.71 4.14 -0.22 2.79 2.12 0.16 -4.23 118.70 125.16 3gkk s GLU 122 Ca 0.35 0.67 -0.37 0.00 0.36 0.00 0.00 54.97 55.98 3gkk s GLU 122 Cb -0.17 -3.64 -0.13 0.00 0.26 0.00 0.00 34.13 30.45 3gkk s GLU 122 CO 0.13 -0.43 1.90 -2.13 -0.54 0.00 0.00 175.26 174.20 3gkk n ARG 123 N 5.74 1.53 -3.84 4.30 0.63 -1.26 -4.66 116.66 119.11 3gkk n ARG 123 Ca 0.01 0.54 -0.10 0.00 -0.92 0.00 0.00 57.85 57.38 3gkk n ARG 123 Cb 0.49 -2.40 -0.08 0.00 0.45 0.00 0.00 32.46 30.92 3gkk n ARG 123 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3gkk s SER 124 N 4.65 0.06 0.03 6.15 0.01 -1.00 -0.34 113.70 123.27 3gkk s SER 124 Ca 0.99 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.75 3gkk s SER 124 Cb -0.87 0.33 -0.02 0.00 0.21 0.00 0.00 66.02 65.66 3gkk s SER 124 CO 0.57 -0.67 -0.06 -0.89 0.41 0.00 0.00 173.24 172.60 3gkk s THR 125 N -3.33 0.35 0.00 1.44 2.01 0.03 0.37 115.64 116.51 3gkk s THR 125 Ca 0.01 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.01 3gkk s THR 125 Cb 0.02 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 72.07 3gkk s THR 125 CO -0.08 -0.44 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.04 3gkk s PHE 126 N -1.42 0.16 -0.24 4.92 0.40 0.08 -1.44 117.98 120.44 3gkk s PHE 126 Ca -0.13 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 3gkk s PHE 126 Cb -0.10 -0.10 -0.01 0.00 0.51 0.00 0.00 43.02 43.32 3gkk s PHE 126 CO -0.00 -0.03 0.01 -1.17 0.70 0.00 0.00 175.22 174.74 3gkk s LEU 127 N -0.26 3.25 -0.01 -0.37 2.96 -0.57 -1.38 118.68 122.31 3gkk s LEU 127 Ca -0.02 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3gkk s LEU 127 Cb -0.02 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3gkk s LEU 127 CO -0.00 -0.06 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.12 3gkk s LEU 128 N 1.52 3.04 0.86 -0.68 1.02 -0.06 -1.28 118.68 123.10 3gkk s LEU 128 Ca 0.05 -0.16 -0.13 0.00 0.02 0.00 0.00 54.13 53.91 3gkk s LEU 128 Cb -0.15 -1.72 0.12 0.00 0.02 0.00 0.00 46.19 44.45 3gkk s LEU 128 CO -0.00 0.30 1.23 -0.94 0.02 0.00 0.00 176.35 176.96 3gkk s SER 129 N -1.23 4.06 0.59 2.29 1.04 0.03 -1.39 113.70 119.09 3gkk s SER 129 Ca 0.15 0.61 0.29 0.00 0.48 0.00 0.00 55.95 57.49 3gkk s SER 129 Cb -0.11 -0.96 1.65 0.00 0.10 0.00 0.00 66.02 66.70 3gkk s SER 129 CO 0.05 -2.17 2.07 -0.65 0.98 0.00 0.00 173.24 173.52 3gkk h PRO 130 N -1.25 0.00 -0.19 4.02 0.11 -1.90 -0.91 132.00 131.89 3gkk h PRO 130 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gkk h PRO 130 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gkk h PRO 130 CO 0.57 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 3gkk n GLU 131 N -3.74 2.36 -0.04 1.05 -0.58 -1.26 -1.29 120.64 117.13 3gkk n GLU 131 Ca 0.02 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.75 3gkk n GLU 131 Cb 0.37 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3gkk n GLU 131 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gkk n GLY 132 N 1.41 0.78 3.71 0.62 0.00 -0.35 -5.07 105.19 106.30 3gkk n GLY 132 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3gkk n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gkk s GLN 133 N -0.96 4.48 -0.81 1.61 -1.52 -1.26 -4.73 119.66 116.47 3gkk s GLN 133 Ca 0.00 1.66 -0.21 0.00 -1.95 0.00 0.00 55.36 54.85 3gkk s GLN 133 Cb 0.00 -3.38 0.09 0.00 -0.22 0.00 0.00 33.01 29.50 3gkk s GLN 133 CO 0.00 -0.18 1.10 0.08 -0.25 0.00 0.00 175.29 176.04 3gkk s VAL 134 N 0.99 4.39 -0.37 1.09 1.01 -1.26 -0.79 120.40 125.46 3gkk s VAL 134 Ca 0.56 -0.81 0.21 0.00 0.00 0.00 0.00 61.98 61.94 3gkk s VAL 134 Cb -0.27 -4.78 0.27 0.00 0.00 0.00 0.00 36.38 31.60 3gkk s VAL 134 CO 0.29 -1.56 1.56 -0.37 0.00 0.00 0.00 175.10 175.03 3gkk h VAL 135 N 6.02 0.22 -2.47 2.92 -1.51 -1.48 -0.50 116.25 119.46 3gkk h VAL 135 Ca -0.07 -1.32 -0.09 0.00 -1.23 0.00 0.00 66.70 64.00 3gkk h VAL 135 Cb 1.04 2.11 -0.20 0.00 -2.13 0.00 0.00 31.29 32.11 3gkk h VAL 135 CO 1.19 0.13 -0.04 -1.58 -1.23 0.00 0.00 177.57 176.03 3gkk s GLN 136 N -3.15 0.80 0.08 5.19 0.74 -1.22 -4.33 119.66 117.78 3gkk s GLN 136 Ca 0.06 0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.76 3gkk s GLN 136 Cb 0.06 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.51 3gkk s GLN 136 CO 0.69 -0.21 -0.09 0.00 -0.55 0.00 0.00 175.29 175.14 3gkk s ALA 137 N -0.79 0.96 -0.05 1.58 0.00 -1.26 -1.51 121.76 120.69 3gkk s ALA 137 Ca -0.09 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 3gkk s ALA 137 Cb -0.03 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3gkk s ALA 137 CO 0.05 -0.08 0.08 -1.58 0.00 0.00 0.00 175.76 174.23 3gkk s TRP 138 N -2.50 -0.03 0.11 0.00 0.51 -0.52 -5.00 118.94 111.51 3gkk s TRP 138 Ca 0.04 0.32 0.09 0.00 -2.12 0.00 0.00 56.10 54.43 3gkk s TRP 138 Cb -0.02 -0.31 -0.04 0.00 -0.81 0.00 0.00 33.47 32.29 3gkk s TRP 138 CO -0.01 -0.17 -0.23 1.03 -0.51 0.00 0.00 176.95 177.05 3gkk s ARG 139 N 1.72 1.23 -1.37 4.98 0.52 -1.26 -0.79 118.95 123.98 3gkk s ARG 139 Ca -0.02 -1.23 -0.00 0.00 -0.52 0.00 0.00 55.73 53.96 3gkk s ARG 139 Cb -0.12 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 33.77 3gkk s ARG 139 CO -0.04 0.37 0.52 1.17 0.02 0.00 0.00 175.30 177.34 3gkk n LYS 140 N 1.02 -3.87 -1.65 3.54 4.81 0.54 -4.83 118.16 117.72 3gkk n LYS 140 Ca -0.19 0.48 -0.45 0.00 -0.87 0.00 0.00 58.31 57.28 3gkk n LYS 140 Cb 0.53 -4.76 -0.03 0.00 0.02 0.00 0.00 35.03 30.80 3gkk n LYS 140 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3gkk n VAL 141 N -4.35 1.09 -3.32 3.15 0.31 -0.36 -4.99 118.33 109.85 3gkk n VAL 141 Ca -0.31 -0.27 -0.40 0.00 -0.01 0.00 0.00 64.34 63.35 3gkk n VAL 141 Cb 0.68 -1.36 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 3gkk n VAL 141 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3gkk s LYS 142 N -0.60 3.85 0.31 5.55 2.20 -1.26 -4.96 119.74 124.83 3gkk s LYS 142 Ca 0.67 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 3gkk s LYS 142 Cb -0.68 -3.72 0.52 0.00 -1.51 0.00 0.00 37.83 32.44 3gkk s LYS 142 CO 0.52 -0.43 1.91 0.28 -0.36 0.00 0.00 175.35 177.27 3gkk h VAL 143 N 5.47 1.20 -1.97 4.02 2.07 -1.99 -3.36 116.25 121.69 3gkk h VAL 143 Ca -0.30 -0.59 -0.59 0.00 0.82 0.00 0.00 66.70 66.05 3gkk h VAL 143 Cb 1.15 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3gkk h VAL 143 CO 0.70 0.24 1.37 0.00 0.02 0.00 0.00 177.57 179.89 3gkk n ALA 144 N -2.45 1.52 -0.96 1.67 0.00 -1.26 -1.54 120.51 117.48 3gkk n ALA 144 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gkk n ALA 144 Cb 0.15 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.84 3gkk n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gkk n GLY 145 N 5.37 0.75 0.15 0.00 0.00 -1.26 -4.94 105.19 105.26 3gkk n GLY 145 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 3gkk n GLY 145 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3gkk h HIS 146 N 0.00 -0.26 -0.90 1.61 2.76 -1.44 -1.80 115.15 115.13 3gkk h HIS 146 Ca 0.00 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 3gkk h HIS 146 Cb 0.03 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 3gkk h HIS 146 CO 0.02 -0.01 0.58 0.00 -1.30 0.00 0.00 177.93 177.22 3gkk h ALA 147 N 0.25 1.59 -0.50 5.26 0.00 -1.92 0.11 119.26 124.05 3gkk h ALA 147 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3gkk h ALA 147 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gkk h ALA 147 CO 0.05 0.24 0.06 -0.44 0.00 0.00 0.00 179.25 179.15 3gkk h ASP 148 N 0.93 0.82 -0.66 0.00 3.45 -1.92 -1.84 116.42 117.21 3gkk h ASP 148 Ca 0.41 -0.27 -0.06 0.00 0.43 0.00 0.00 57.03 57.54 3gkk h ASP 148 Cb 0.35 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 3gkk h ASP 148 CO -0.17 0.89 0.18 0.00 -1.57 0.00 0.00 179.24 178.57 3gkk h ALA 149 N 0.96 0.86 -0.57 3.45 0.00 -0.31 -0.84 119.26 122.83 3gkk h ALA 149 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3gkk h ALA 149 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3gkk h ALA 149 CO 0.01 0.56 0.08 0.28 0.00 0.00 0.00 179.25 180.19 3gkk h VAL 150 N 0.97 1.26 -0.68 0.00 2.07 -0.91 -0.62 116.25 118.34 3gkk h VAL 150 Ca 0.21 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3gkk h VAL 150 Cb 0.33 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3gkk h VAL 150 CO -0.00 0.36 0.38 0.25 0.02 0.00 0.00 177.57 178.58 3gkk h LEU 151 N 0.84 0.84 -0.72 2.57 5.85 -1.08 -0.30 115.31 123.32 3gkk h LEU 151 Ca 0.17 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gkk h LEU 151 Cb 0.43 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3gkk h LEU 151 CO 0.01 0.69 0.38 0.00 -0.34 0.00 0.00 178.44 179.18 3gkk h ALA 152 N 1.19 0.93 -0.71 1.25 0.00 -0.79 -2.18 119.26 118.94 3gkk h ALA 152 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3gkk h ALA 152 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3gkk h ALA 152 CO -0.04 0.46 0.24 0.00 0.00 0.00 0.00 179.25 179.91 3gkk h ALA 153 N 1.19 1.09 -0.31 0.00 0.00 -0.59 -1.00 119.26 119.64 3gkk h ALA 153 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gkk h ALA 153 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gkk h ALA 153 CO -0.04 0.63 0.20 1.25 0.00 0.00 0.00 179.25 181.29 3gkk h LEU 154 N 1.04 0.36 -1.03 0.00 5.85 -0.59 -2.41 115.31 118.53 3gkk h LEU 154 Ca 0.23 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3gkk h LEU 154 Cb 0.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3gkk h LEU 154 CO -0.01 0.26 -0.22 0.11 -0.34 0.00 0.00 178.44 178.24 3gkk h LYS 155 N 0.41 0.43 -0.08 1.25 1.57 -1.12 -2.44 116.57 116.59 3gkk h LYS 155 Ca 0.11 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3gkk h LYS 155 Cb -0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3gkk h LYS 155 CO -0.02 0.63 -0.22 0.00 -0.57 0.00 0.00 179.45 179.26 3gkk h ALA 156 N 1.38 1.47 0.00 3.86 0.00 -0.83 -2.49 119.26 122.66 3gkk h ALA 156 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gkk h ALA 156 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gkk h ALA 156 CO 0.04 0.38 -0.52 0.72 0.00 0.00 0.00 179.25 179.87 3gkk n HIS 157 N -4.22 0.28 1.19 0.00 8.25 -0.94 -5.10 115.22 114.68 3gkk n HIS 157 Ca -0.01 0.08 0.09 0.00 -0.26 0.00 0.00 57.72 57.62 3gkk n HIS 157 Cb 0.32 -0.47 0.56 0.00 1.12 0.00 0.00 29.99 31.52 3gkk n HIS 157 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98