#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2k s VAL 9 N 0.00 5.44 0.04 5.09 1.01 -1.26 -5.00 120.40 125.72 1a2k s VAL 9 Ca 0.00 -2.88 0.08 0.00 0.00 0.00 0.00 61.98 59.18 1a2k s VAL 9 Cb 0.00 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 1a2k s VAL 9 CO 0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 175.10 173.48 1a2k s GLN 10 N 0.42 1.46 -0.06 2.72 -2.07 -1.26 -1.83 119.66 119.05 1a2k s GLN 10 Ca 0.36 -0.96 0.02 0.00 -1.82 0.00 0.00 55.36 52.96 1a2k s GLN 10 Cb -0.06 -1.57 0.01 0.00 -1.09 0.00 0.00 33.01 30.30 1a2k s GLN 10 CO -0.04 0.40 -0.11 -0.06 -1.32 0.00 0.00 175.29 174.16 1a2k s PHE 11 N -0.79 1.32 -0.01 9.60 0.08 -0.33 -4.99 117.98 122.86 1a2k s PHE 11 Ca 0.08 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 1a2k s PHE 11 Cb -0.09 -0.99 -0.05 0.00 -0.57 0.00 0.00 43.02 41.33 1a2k s PHE 11 CO 0.02 -0.25 1.32 0.21 -0.10 0.00 0.00 175.22 176.41 1a2k s LYS 12 N 0.68 4.32 -0.13 0.44 2.20 -1.26 -0.92 119.74 125.07 1a2k s LYS 12 Ca -0.14 1.85 0.01 0.00 -0.36 0.00 0.00 55.97 57.34 1a2k s LYS 12 Cb -0.15 -3.54 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1a2k s LYS 12 CO 0.03 -0.51 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.18 1a2k s LEU 13 N 2.21 1.81 -0.27 5.43 0.20 -0.79 -1.33 118.68 125.94 1a2k s LEU 13 Ca 0.61 -0.50 -0.10 0.00 0.69 0.00 0.00 54.13 54.83 1a2k s LEU 13 Cb -0.29 -1.21 -0.04 0.00 -0.43 0.00 0.00 46.19 44.21 1a2k s LEU 13 CO 0.25 -0.00 0.15 0.68 -0.29 0.00 0.00 176.35 177.14 1a2k s VAL 14 N 1.16 4.97 -0.40 1.68 -7.23 -1.10 0.39 120.40 119.88 1a2k s VAL 14 Ca -0.02 0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.07 1a2k s VAL 14 Cb -0.14 -3.36 0.03 0.00 0.56 0.00 0.00 36.38 33.47 1a2k s VAL 14 CO -0.06 0.28 0.27 -0.22 -0.31 0.00 0.00 175.10 175.07 1a2k s LEU 15 N 1.70 5.00 0.15 1.32 0.20 -0.99 -1.02 118.68 125.05 1a2k s LEU 15 Ca 0.07 -0.96 0.02 0.00 0.69 0.00 0.00 54.13 53.95 1a2k s LEU 15 Cb -0.16 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1a2k s LEU 15 CO 0.08 -0.44 -0.02 0.68 -0.29 0.00 0.00 176.35 176.37 1a2k s VAL 16 N 1.63 0.70 0.00 1.68 -7.23 0.43 -4.57 120.40 113.05 1a2k s VAL 16 Ca 0.04 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1a2k s VAL 16 Cb -0.19 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1a2k s VAL 16 CO 0.09 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 1a2k n GLY 17 N -0.19 4.22 3.47 2.32 0.00 -1.26 0.10 105.19 113.84 1a2k n GLY 17 Ca -0.08 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1a2k n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a2k n ASP 18 N 0.00 -1.39 -4.74 1.61 8.00 -1.26 -4.92 116.55 113.86 1a2k n ASP 18 Ca 0.00 0.43 -0.42 0.00 0.71 0.00 0.00 54.79 55.51 1a2k n ASP 18 Cb 0.00 -1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 39.84 1a2k n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2k n GLY 19 N 1.37 0.91 1.73 0.44 0.00 -1.26 -2.87 105.19 105.51 1a2k n GLY 19 Ca 0.09 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1a2k n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2k n GLY 20 N 0.60 0.54 0.17 -0.02 0.00 -1.26 -4.93 105.19 100.29 1a2k n GLY 20 Ca 0.03 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1a2k n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a2k h THR 21 N 0.00 0.05 0.00 2.61 1.35 -1.88 -3.47 112.91 111.56 1a2k h THR 21 Ca 0.00 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1a2k h THR 21 Cb 0.00 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1a2k h THR 21 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1a2k n GLY 22 N 1.14 1.62 0.20 5.82 0.00 -1.26 -4.46 105.19 108.25 1a2k n GLY 22 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1a2k n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2k h LYS 23 N 0.00 -0.37 -0.60 1.61 1.57 -1.92 -0.27 116.57 116.60 1a2k h LYS 23 Ca 0.00 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1a2k h LYS 23 Cb 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1a2k h LYS 23 CO 0.00 -0.25 -0.03 1.15 -0.57 0.00 0.00 179.45 179.75 1a2k h THR 24 N -0.38 1.27 0.22 -0.16 2.02 -1.96 -1.94 112.91 111.97 1a2k h THR 24 Ca -0.02 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1a2k h THR 24 Cb 0.33 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1a2k h THR 24 CO 0.00 0.43 -0.15 0.74 0.37 0.00 0.00 175.52 176.91 1a2k h THR 25 N 0.97 0.68 -0.09 3.16 2.02 -1.96 -2.07 112.91 115.63 1a2k h THR 25 Ca 0.17 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1a2k h THR 25 Cb 0.60 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1a2k h THR 25 CO 0.04 0.00 -0.27 0.15 0.37 0.00 0.00 175.52 175.80 1a2k h PHE 26 N -0.36 -0.74 -0.08 3.16 3.57 -0.94 -3.13 116.94 118.41 1a2k h PHE 26 Ca -0.02 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1a2k h PHE 26 Cb 0.31 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1a2k h PHE 26 CO -0.10 -0.36 -0.46 -0.24 -2.23 0.00 0.00 178.31 174.93 1a2k h VAL 27 N -0.37 1.33 0.00 1.41 3.04 -1.22 -2.98 116.25 117.46 1a2k h VAL 27 Ca 0.09 -1.62 -0.02 0.00 -1.01 0.00 0.00 66.70 64.14 1a2k h VAL 27 Cb 0.50 1.78 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1a2k h VAL 27 CO -0.30 0.48 -0.07 0.11 -1.01 0.00 0.00 177.57 176.78 1a2k h LYS 28 N 0.16 0.00 -0.71 4.17 1.57 -1.40 -3.25 116.57 117.11 1a2k h LYS 28 Ca 0.01 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1a2k h LYS 28 Cb 0.87 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.05 1a2k h LYS 28 CO 0.07 0.07 -0.31 0.00 -0.57 0.00 0.00 179.45 178.72 1a2k h ARG 29 N 0.00 -0.09 -5.80 3.15 2.47 -1.47 -3.38 114.38 109.26 1a2k h ARG 29 Ca -0.00 0.01 -0.49 0.00 -1.26 0.00 0.00 59.98 58.24 1a2k h ARG 29 Cb 0.22 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1a2k h ARG 29 CO 0.01 -0.06 1.51 -1.58 0.56 0.00 0.00 179.97 180.41 1a2k s HIS 30 N -6.06 1.32 0.20 3.04 2.46 -1.23 -1.09 115.29 113.94 1a2k s HIS 30 Ca -0.14 1.18 -0.11 0.00 0.47 0.00 0.00 55.06 56.47 1a2k s HIS 30 Cb 0.18 -3.81 0.14 0.00 -0.13 0.00 0.00 32.58 28.97 1a2k s HIS 30 CO 0.71 -2.59 1.84 -0.07 -2.47 0.00 0.00 174.74 172.17 1a2k h LEU 31 N 17.91 0.87 -0.60 8.88 3.38 -1.16 -2.49 115.31 142.10 1a2k h LEU 31 Ca -0.26 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.49 1a2k h LEU 31 Cb 1.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1a2k h LEU 31 CO 1.16 0.67 -0.56 0.74 0.09 0.00 0.00 178.44 180.55 1a2k h THR 32 N 0.99 1.34 -0.88 0.22 2.02 -1.91 -0.36 112.91 114.33 1a2k h THR 32 Ca 0.26 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 1a2k h THR 32 Cb -0.03 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1a2k h THR 32 CO -0.05 0.56 0.45 1.23 0.37 0.00 0.00 175.52 178.08 1a2k h GLY 33 N 1.21 1.34 0.91 2.16 0.00 -1.64 0.30 103.07 107.35 1a2k h GLY 33 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 1a2k h GLY 33 CO 0.10 0.61 -0.03 -2.09 0.00 0.00 0.00 176.54 175.12 1a2k h GLU 34 N 1.24 0.60 -0.74 4.80 4.57 -1.43 -1.96 114.58 121.66 1a2k h GLU 34 Ca 0.31 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1a2k h GLU 34 Cb 0.07 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1a2k h GLU 34 CO -0.04 0.75 0.39 0.35 -1.18 0.00 0.00 179.01 179.27 1a2k h PHE 35 N 0.39 1.04 -0.58 0.92 3.57 0.53 -2.78 116.94 120.04 1a2k h PHE 35 Ca 0.09 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1a2k h PHE 35 Cb 0.49 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1a2k h PHE 35 CO 0.04 0.74 0.00 0.39 -2.23 0.00 0.00 178.31 177.26 1a2k n GLU 36 N -4.44 3.38 -1.21 1.11 -0.58 0.90 -5.00 120.64 114.79 1a2k n GLU 36 Ca 0.07 -2.51 -0.35 0.00 -0.42 0.00 0.00 57.16 53.95 1a2k n GLU 36 Cb 0.11 -1.81 0.10 0.00 -0.57 0.00 0.00 31.44 29.26 1a2k n GLU 36 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1a2k n LYS 37 N 0.99 0.30 -5.08 3.49 2.85 -0.74 -4.76 118.16 115.21 1a2k n LYS 37 Ca 0.23 0.16 -0.32 0.00 -1.05 0.00 0.00 58.31 57.33 1a2k n LYS 37 Cb 0.79 -2.18 -0.17 0.00 -0.65 0.00 0.00 35.03 32.82 1a2k n LYS 37 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1a2k s LYS 38 N -3.48 2.95 -0.13 -1.58 0.00 -0.39 -4.93 119.74 112.18 1a2k s LYS 38 Ca 0.70 -0.84 -0.14 0.00 0.00 0.00 0.00 55.97 55.69 1a2k s LYS 38 Cb -0.32 -2.26 -0.05 0.00 0.00 0.00 0.00 37.83 35.21 1a2k s LYS 38 CO 0.53 0.14 0.32 -0.47 0.00 0.00 0.00 175.35 175.87 1a2k s TYR 39 N 0.44 3.51 -0.37 1.78 5.04 -1.26 0.26 117.35 126.75 1a2k s TYR 39 Ca -0.17 0.68 0.03 0.00 -2.44 0.00 0.00 57.07 55.18 1a2k s TYR 39 Cb -0.17 -2.34 0.10 0.00 0.35 0.00 0.00 41.96 39.90 1a2k s TYR 39 CO 0.07 0.31 0.09 0.08 -1.34 0.00 0.00 175.55 174.76 1a2k s VAL 40 N 0.19 2.40 0.17 3.14 1.01 0.16 -4.97 120.40 122.50 1a2k s VAL 40 Ca 0.19 -2.45 -0.15 0.00 0.00 0.00 0.00 61.98 59.57 1a2k s VAL 40 Cb -0.14 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.54 1a2k s VAL 40 CO 0.06 -0.63 1.77 0.00 0.00 0.00 0.00 175.10 176.30 1a2k h ALA 41 N 7.50 0.53 -0.01 5.51 0.00 -1.97 -2.57 119.26 128.25 1a2k h ALA 41 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a2k h ALA 41 Cb 1.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1a2k h ALA 41 CO 0.56 -0.17 0.01 1.79 0.00 0.00 0.00 179.25 181.44 1a2k h THR 42 N 0.40 0.77 -0.55 0.00 1.35 -1.95 -1.68 112.91 111.25 1a2k h THR 42 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1a2k h THR 42 Cb 0.11 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1a2k h THR 42 CO -0.14 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.31 1a2k n LEU 43 N -4.20 3.50 -3.65 3.87 4.77 -1.00 -4.99 117.00 115.30 1a2k n LEU 43 Ca -0.03 -1.92 -0.26 0.00 -0.03 0.00 0.00 56.01 53.77 1a2k n LEU 43 Cb 0.10 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1a2k n LEU 43 CO 0.31 0.86 -0.07 0.61 -1.33 0.00 0.00 177.39 177.76 1a2k n GLY 44 N 1.22 -0.79 3.22 -0.72 0.00 -0.63 -4.82 105.19 102.66 1a2k n GLY 44 Ca 0.19 0.38 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 1a2k n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2k s VAL 45 N -3.55 0.13 -0.23 1.61 0.11 -1.04 -2.16 120.40 115.28 1a2k s VAL 45 Ca 0.33 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1a2k s VAL 45 Cb -0.10 -1.31 0.06 0.00 -1.53 0.00 0.00 36.38 33.50 1a2k s VAL 45 CO 0.84 -0.61 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.34 1a2k s GLU 46 N -3.82 1.53 -0.21 1.54 2.02 -0.92 0.36 118.70 119.20 1a2k s GLU 46 Ca 0.04 -0.92 -0.17 0.00 0.02 0.00 0.00 54.97 53.94 1a2k s GLU 46 Cb 0.04 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 1a2k s GLU 46 CO -0.11 -0.60 0.47 0.08 0.02 0.00 0.00 175.26 175.13 1a2k s VAL 47 N 1.44 5.13 -0.24 2.63 1.01 0.14 -2.08 120.40 128.44 1a2k s VAL 47 Ca -0.05 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 1a2k s VAL 47 Cb -0.19 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1a2k s VAL 47 CO -0.06 0.19 -0.01 -1.00 0.00 0.00 0.00 175.10 174.22 1a2k s HIS 48 N 1.65 3.02 -1.02 5.22 3.76 0.49 -1.26 115.29 127.15 1a2k s HIS 48 Ca 0.22 -0.91 -0.22 0.00 -0.15 0.00 0.00 55.06 54.00 1a2k s HIS 48 Cb -0.15 -2.15 0.07 0.00 1.11 0.00 0.00 32.58 31.46 1a2k s HIS 48 CO 0.09 -0.53 1.39 -1.25 -0.85 0.00 0.00 174.74 173.59 1a2k s PRO 49 N 1.49 3.63 -0.58 8.40 0.04 -1.25 -0.08 135.00 146.65 1a2k s PRO 49 Ca 0.05 -1.35 -0.21 0.00 0.04 0.00 0.00 61.00 59.53 1a2k s PRO 49 Cb -0.15 -5.26 0.07 0.00 0.04 0.00 0.00 34.50 29.20 1a2k s PRO 49 CO -0.01 -2.10 0.78 -0.51 0.04 0.00 0.00 177.00 175.20 1a2k s LEU 50 N 4.33 4.82 -0.00 -3.56 1.43 -0.61 -4.06 118.68 121.04 1a2k s LEU 50 Ca 0.43 -1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.29 1a2k s LEU 50 Cb -0.01 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1a2k s LEU 50 CO -0.09 -1.16 0.68 -0.69 0.23 0.00 0.00 176.35 175.33 1a2k s VAL 51 N 3.21 4.88 -0.02 -1.59 1.01 -1.26 -0.33 120.40 126.30 1a2k s VAL 51 Ca 0.18 1.42 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1a2k s VAL 51 Cb -0.19 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1a2k s VAL 51 CO 0.11 0.36 -0.13 -0.36 0.00 0.00 0.00 175.10 175.08 1a2k s PHE 52 N 0.09 1.22 -0.39 5.22 0.40 0.49 -4.84 117.98 120.17 1a2k s PHE 52 Ca 0.35 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 56.28 1a2k s PHE 52 Cb -0.19 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.55 1a2k s PHE 52 CO 0.19 -0.06 0.25 -1.01 0.70 0.00 0.00 175.22 175.29 1a2k s HIS 53 N -0.14 3.24 0.37 0.36 3.76 -1.26 -0.25 115.29 121.38 1a2k s HIS 53 Ca 0.02 -0.76 0.07 0.00 -0.15 0.00 0.00 55.06 54.24 1a2k s HIS 53 Cb -0.07 -2.51 -0.00 0.00 1.11 0.00 0.00 32.58 31.10 1a2k s HIS 53 CO 0.00 -0.61 0.50 0.95 -0.85 0.00 0.00 174.74 174.73 1a2k s THR 54 N 1.62 3.53 0.51 1.30 -4.23 0.08 -0.84 115.64 117.59 1a2k s THR 54 Ca 0.04 -1.04 0.18 0.00 -1.18 0.00 0.00 61.69 59.69 1a2k s THR 54 Cb -0.19 -3.21 0.26 0.00 1.34 0.00 0.00 72.50 70.71 1a2k s THR 54 CO 0.08 -0.09 2.12 -0.55 -0.54 0.00 0.00 174.62 175.65 1a2k h ASN 55 N 0.82 0.00 -0.34 3.99 -0.00 -1.79 0.25 115.58 118.51 1a2k h ASN 55 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.87 1a2k h ASN 55 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1a2k h ASN 55 CO 0.50 0.06 0.00 0.54 -0.00 0.00 0.00 177.43 178.53 1a2k n ARG 56 N -4.31 2.12 0.00 4.14 1.74 -1.26 -5.06 116.66 114.03 1a2k n ARG 56 Ca -0.03 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 1a2k n ARG 56 Cb 0.14 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1a2k n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a2k n GLY 57 N 1.31 0.99 3.76 -0.13 0.00 0.88 -5.08 105.19 106.91 1a2k n GLY 57 Ca 0.17 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 1a2k n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a2k s PRO 58 N -1.05 4.72 -0.04 1.61 0.04 -1.26 -0.75 135.00 138.27 1a2k s PRO 58 Ca 0.00 1.45 0.06 0.00 0.04 0.00 0.00 61.00 62.56 1a2k s PRO 58 Cb 0.00 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 1a2k s PRO 58 CO 0.00 0.38 -0.23 -1.50 0.04 0.00 0.00 177.00 175.69 1a2k s ILE 59 N -1.36 1.87 -0.23 0.56 2.07 0.66 -4.73 121.20 120.04 1a2k s ILE 59 Ca 0.45 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.72 1a2k s ILE 59 Cb -0.23 -1.57 0.04 0.00 0.13 0.00 0.00 42.46 40.83 1a2k s ILE 59 CO 0.29 0.53 -0.14 -0.75 -1.91 0.00 0.00 174.94 172.96 1a2k s LYS 60 N -0.32 2.64 -0.36 3.50 2.20 -0.76 -0.38 119.74 126.26 1a2k s LYS 60 Ca 0.02 -1.08 -0.19 0.00 -0.36 0.00 0.00 55.97 54.36 1a2k s LYS 60 Cb -0.11 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1a2k s LYS 60 CO 0.01 -0.40 0.57 -0.06 -0.36 0.00 0.00 175.35 175.11 1a2k s PHE 61 N 1.21 3.16 -0.83 4.03 0.08 0.55 -1.19 117.98 125.00 1a2k s PHE 61 Ca -0.02 0.21 -0.23 0.00 0.12 0.00 0.00 56.93 57.02 1a2k s PHE 61 Cb -0.17 -3.03 0.07 0.00 -0.57 0.00 0.00 43.02 39.32 1a2k s PHE 61 CO -0.08 -0.60 1.20 -0.80 -0.10 0.00 0.00 175.22 174.84 1a2k s ASN 62 N 1.79 6.35 -0.16 1.36 0.02 -0.10 -1.57 114.94 122.63 1a2k s ASN 62 Ca 0.21 -1.20 -0.29 0.00 -1.02 0.00 0.00 52.86 50.56 1a2k s ASN 62 Cb -0.15 -2.49 -0.00 0.00 0.02 0.00 0.00 41.25 38.63 1a2k s ASN 62 CO 0.14 -1.48 1.06 -0.69 0.02 0.00 0.00 177.10 176.16 1a2k s VAL 63 N 4.42 4.65 -0.09 1.60 1.01 0.89 -1.88 120.40 131.00 1a2k s VAL 63 Ca 0.34 1.96 -0.24 0.00 0.00 0.00 0.00 61.98 64.04 1a2k s VAL 63 Cb -0.08 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1a2k s VAL 63 CO 0.02 -0.09 0.72 0.26 0.00 0.00 0.00 175.10 176.00 1a2k s TRP 64 N 2.72 3.54 -0.06 5.22 0.52 0.16 -0.38 118.94 130.66 1a2k s TRP 64 Ca 0.48 1.23 0.05 0.00 0.02 0.00 0.00 56.10 57.87 1a2k s TRP 64 Cb -0.18 -2.84 -0.00 0.00 -1.15 0.00 0.00 33.47 29.30 1a2k s TRP 64 CO 0.12 0.01 -0.21 0.34 0.02 0.00 0.00 176.95 177.24 1a2k s ASP 65 N 0.89 2.62 1.15 2.95 2.15 -0.88 -2.34 116.67 123.21 1a2k s ASP 65 Ca 0.37 -0.44 -0.17 0.00 0.43 0.00 0.00 52.55 52.74 1a2k s ASP 65 Cb -0.17 -0.83 0.26 0.00 -0.30 0.00 0.00 42.92 41.88 1a2k s ASP 65 CO 0.17 0.18 1.09 0.42 -0.17 0.00 0.00 175.17 176.86 1a2k s THR 66 N 0.05 1.73 -0.31 1.71 -4.23 -1.26 -2.15 115.64 111.17 1a2k s THR 66 Ca -0.07 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1a2k s THR 66 Cb -0.14 -2.45 0.52 0.00 1.34 0.00 0.00 72.50 71.77 1a2k s THR 66 CO 0.04 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.63 1a2k n ALA 67 N -4.63 4.46 0.00 3.99 0.00 -0.92 -4.73 120.51 118.69 1a2k n ALA 67 Ca 0.10 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.41 1a2k n ALA 67 Cb 0.59 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1a2k n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2k n GLY 68 N -1.13 1.01 0.00 0.00 0.00 -1.26 -4.98 105.19 98.83 1a2k n GLY 68 Ca 0.36 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.39 1a2k n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2k n GLN 69 N -2.00 0.02 0.11 1.61 0.00 -1.26 -2.74 117.38 113.11 1a2k n GLN 69 Ca 0.00 0.37 0.13 0.00 0.00 0.00 0.00 57.00 57.50 1a2k n GLN 69 Cb 0.00 -1.50 0.44 0.00 0.00 0.00 0.00 30.24 29.18 1a2k n GLN 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1a2k n GLU 70 N -1.41 0.22 -0.17 2.61 0.00 -1.25 -3.21 120.64 117.42 1a2k n GLU 70 Ca 0.01 0.28 -0.11 0.00 0.00 0.00 0.00 57.16 57.34 1a2k n GLU 70 Cb 0.03 -1.81 0.01 0.00 0.00 0.00 0.00 31.44 29.67 1a2k n GLU 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1a2k h LYS 71 N 0.00 1.03 -1.00 3.44 1.57 -1.90 -3.10 116.57 116.61 1a2k h LYS 71 Ca 0.00 -0.41 -0.63 0.00 -1.87 0.00 0.00 60.65 57.74 1a2k h LYS 71 Cb 0.59 -0.05 -0.30 0.00 0.08 0.00 0.00 32.23 32.55 1a2k h LYS 71 CO 0.00 1.10 0.80 1.19 -0.57 0.00 0.00 179.45 181.97 1a2k n PHE 72 N -4.13 3.18 0.00 -1.35 3.72 -1.20 -4.98 117.46 112.71 1a2k n PHE 72 Ca 0.01 -2.69 0.00 0.00 -0.05 0.00 0.00 57.45 54.72 1a2k n PHE 72 Cb 0.43 -1.30 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 1a2k n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a2k n GLY 73 N -0.98 -1.19 3.55 1.37 0.00 -1.17 -5.09 105.19 101.68 1a2k n GLY 73 Ca 0.62 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1a2k n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2k n GLY 74 N -0.61 -1.16 3.83 -0.02 0.00 -1.26 -3.87 105.19 102.10 1a2k n GLY 74 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1a2k n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a2k s LEU 75 N -4.60 4.32 0.81 0.99 1.43 -1.26 -4.83 118.68 115.54 1a2k s LEU 75 Ca 0.63 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 1a2k s LEU 75 Cb -0.22 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1a2k s LEU 75 CO 0.62 0.04 1.09 -0.13 0.23 0.00 0.00 176.35 178.20 1a2k s ARG 76 N -2.06 1.93 0.22 1.70 0.52 -1.26 -4.95 118.95 115.05 1a2k s ARG 76 Ca 0.42 0.97 -0.09 0.00 -0.52 0.00 0.00 55.73 56.51 1a2k s ARG 76 Cb -0.15 -1.87 0.19 0.00 0.52 0.00 0.00 34.95 33.63 1a2k s ARG 76 CO 0.20 -1.81 1.89 -0.44 0.02 0.00 0.00 175.30 175.16 1a2k h ASP 77 N -1.24 0.94 -0.92 0.23 5.19 -1.99 -2.45 116.42 116.17 1a2k h ASP 77 Ca -0.46 -0.02 0.23 0.00 -0.62 0.00 0.00 57.03 56.16 1a2k h ASP 77 Cb 1.25 -0.23 -0.13 0.00 0.18 0.00 0.00 39.33 40.40 1a2k h ASP 77 CO 0.54 0.68 0.43 1.23 -3.12 0.00 0.00 179.24 178.99 1a2k h GLY 78 N 1.11 1.62 0.83 2.75 0.00 -1.95 0.27 103.07 107.71 1a2k h GLY 78 Ca 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1a2k h GLY 78 CO -0.07 -0.28 -0.19 -1.82 0.00 0.00 0.00 176.54 174.18 1a2k h TYR 79 N 0.41 -0.48 -0.31 5.60 5.03 -1.76 -3.32 116.97 122.16 1a2k h TYR 79 Ca 0.58 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.84 1a2k h TYR 79 Cb 1.13 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.56 1a2k h TYR 79 CO -0.11 -0.20 0.04 1.88 -1.32 0.00 0.00 178.16 178.44 1a2k h TYR 80 N -0.69 0.55 -1.12 -3.82 0.05 -1.37 -3.46 116.97 107.11 1a2k h TYR 80 Ca -0.05 -0.08 -0.79 0.00 0.05 0.00 0.00 58.73 57.85 1a2k h TYR 80 Cb 0.49 -0.15 0.04 0.00 1.01 0.00 0.00 36.73 38.12 1a2k h TYR 80 CO -0.01 0.61 0.28 1.51 -1.05 0.00 0.00 178.16 179.50 1a2k n ILE 81 N -4.61 0.01 -1.02 -2.88 3.06 0.89 -1.54 119.36 113.28 1a2k n ILE 81 Ca -0.02 -0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.22 1a2k n ILE 81 Cb 0.22 -0.27 -0.00 0.00 0.54 0.00 0.00 39.64 40.14 1a2k n ILE 81 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a2k n GLN 82 N 2.32 -0.26 -1.46 9.51 6.02 -1.26 -5.01 117.38 127.24 1a2k n GLN 82 Ca 0.22 0.18 -0.35 0.00 -0.01 0.00 0.00 57.00 57.05 1a2k n GLN 82 Cb 0.07 -3.48 0.09 0.00 1.02 0.00 0.00 30.24 27.94 1a2k n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a2k s ALA 83 N -1.91 2.13 -0.10 -1.58 0.00 -0.59 -4.75 121.76 114.96 1a2k s ALA 83 Ca 0.00 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.03 1a2k s ALA 83 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1a2k s ALA 83 CO 0.00 -1.91 0.12 1.04 0.00 0.00 0.00 175.76 175.00 1a2k n GLN 84 N -2.56 3.40 -3.76 0.00 6.02 -0.44 -4.93 117.38 115.12 1a2k n GLN 84 Ca 0.15 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 57.09 1a2k n GLN 84 Cb 0.49 -0.84 -0.01 0.00 1.02 0.00 0.00 30.24 30.90 1a2k n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a2k s ALA 86 N -3.18 -1.73 -0.09 0.00 0.00 -0.98 -2.71 121.76 113.08 1a2k s ALA 86 Ca 0.13 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.03 1a2k s ALA 86 Cb -0.01 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1a2k s ALA 86 CO 0.03 -0.62 -0.20 0.42 0.00 0.00 0.00 175.76 175.38 1a2k s ILE 87 N -2.81 1.77 -0.23 0.00 1.01 -0.19 -1.11 121.20 119.64 1a2k s ILE 87 Ca -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1a2k s ILE 87 Cb -0.01 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1a2k s ILE 87 CO -0.06 0.50 0.08 -0.63 0.00 0.00 0.00 174.94 174.82 1a2k s ILE 88 N 0.39 4.53 -0.03 2.92 1.01 0.13 -0.42 121.20 129.73 1a2k s ILE 88 Ca -0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1a2k s ILE 88 Cb -0.17 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1a2k s ILE 88 CO 0.07 0.37 0.08 -0.32 0.00 0.00 0.00 174.94 175.14 1a2k s MET 89 N 1.23 3.10 0.15 2.79 1.75 0.11 0.15 119.30 128.59 1a2k s MET 89 Ca 0.05 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1a2k s MET 89 Cb -0.14 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 1a2k s MET 89 CO 0.04 0.67 -0.02 -0.59 -0.65 0.00 0.00 175.02 174.47 1a2k s PHE 90 N -1.14 1.14 0.00 4.11 -0.12 0.03 -4.12 117.98 117.89 1a2k s PHE 90 Ca 0.21 -0.98 -0.12 0.00 -0.05 0.00 0.00 56.93 55.99 1a2k s PHE 90 Cb -0.12 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.57 1a2k s PHE 90 CO 0.11 -0.18 0.36 0.34 -0.05 0.00 0.00 175.22 175.80 1a2k s ASP 91 N -3.14 6.69 0.00 1.98 -1.08 -1.26 -0.65 116.67 119.20 1a2k s ASP 91 Ca 0.21 0.82 0.27 0.00 -0.52 0.00 0.00 52.55 53.32 1a2k s ASP 91 Cb 0.06 -2.19 0.80 0.00 -1.46 0.00 0.00 42.92 40.12 1a2k s ASP 91 CO 0.02 0.29 1.61 1.33 0.52 0.00 0.00 175.17 178.94 1a2k n VAL 92 N 1.55 0.00 0.40 1.11 0.24 -0.82 -3.67 118.33 117.14 1a2k n VAL 92 Ca -0.13 -0.04 0.10 0.00 -2.04 0.00 0.00 64.34 62.23 1a2k n VAL 92 Cb 0.53 0.10 0.16 0.00 -1.47 0.00 0.00 33.84 33.15 1a2k n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1a2k n THR 93 N -1.24 0.38 -3.71 3.34 -2.24 -1.26 0.02 114.28 109.56 1a2k n THR 93 Ca 0.09 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 1a2k n THR 93 Cb 0.33 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.49 1a2k n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a2k s SER 94 N -1.42 3.82 0.35 3.42 0.15 -1.24 -4.77 113.70 114.01 1a2k s SER 94 Ca 0.30 -2.09 0.13 0.00 0.70 0.00 0.00 55.95 54.99 1a2k s SER 94 Cb 0.19 -0.92 0.95 0.00 -1.71 0.00 0.00 66.02 64.53 1a2k s SER 94 CO 0.26 -0.35 1.77 0.03 1.20 0.00 0.00 173.24 176.15 1a2k h ARG 95 N 7.45 0.52 -0.35 5.44 3.08 -1.86 -0.71 114.38 127.95 1a2k h ARG 95 Ca -0.07 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.02 1a2k h ARG 95 Cb 0.98 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.82 1a2k h ARG 95 CO 0.46 0.35 -0.39 -0.39 -1.07 0.00 0.00 179.97 178.93 1a2k h VAL 96 N 0.54 0.16 -1.00 2.04 -1.51 -1.95 -0.38 116.25 114.15 1a2k h VAL 96 Ca 0.60 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 66.21 1a2k h VAL 96 Cb 1.25 0.16 -0.09 0.00 -2.13 0.00 0.00 31.29 30.49 1a2k h VAL 96 CO -0.36 0.00 0.62 0.71 -1.23 0.00 0.00 177.57 177.32 1a2k h THR 97 N -0.33 0.86 0.00 7.19 1.35 -1.44 0.28 112.91 120.83 1a2k h THR 97 Ca 0.14 -0.31 -0.05 0.00 -0.55 0.00 0.00 66.41 65.64 1a2k h THR 97 Cb 0.57 -0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 1a2k h THR 97 CO -0.53 0.17 -0.24 0.22 -0.25 0.00 0.00 175.52 174.88 1a2k h TYR 98 N 0.91 0.00 0.00 4.73 3.20 -1.50 -3.09 116.97 121.23 1a2k h TYR 98 Ca 0.51 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.27 1a2k h TYR 98 Cb 0.62 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1a2k h TYR 98 CO -0.00 0.24 -0.57 0.87 -1.64 0.00 0.00 178.16 177.06 1a2k h LYS 99 N 0.00 0.00 -0.00 1.82 1.79 0.13 -2.93 116.57 117.37 1a2k h LYS 99 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1a2k h LYS 99 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1a2k h LYS 99 CO 0.03 0.57 0.00 0.09 -1.08 0.00 0.00 179.45 179.06 1a2k n ASN 100 N -3.55 0.07 -0.06 0.86 3.02 -0.73 -4.36 115.26 110.51 1a2k n ASN 100 Ca -0.00 -1.28 -0.09 0.00 -0.03 0.00 0.00 54.58 53.18 1a2k n ASN 100 Cb 0.64 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.79 1a2k n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1a2k h VAL 101 N 0.10 0.96 -1.00 2.41 2.07 -1.56 -2.53 116.25 116.70 1a2k h VAL 101 Ca 0.00 -0.07 0.21 0.00 0.82 0.00 0.00 66.70 67.66 1a2k h VAL 101 Cb 0.02 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 1a2k h VAL 101 CO 0.00 0.04 0.61 -0.65 0.02 0.00 0.00 177.57 177.59 1a2k h PRO 102 N 0.21 0.65 -0.41 1.57 0.11 -1.82 0.20 132.00 132.51 1a2k h PRO 102 Ca 0.10 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 1a2k h PRO 102 Cb 0.06 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 1a2k h PRO 102 CO -0.10 0.43 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.05 1a2k h ASN 103 N 0.67 0.78 -0.08 -2.05 -0.26 -1.75 -1.58 115.58 111.31 1a2k h ASN 103 Ca 0.60 -0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 56.08 1a2k h ASN 103 Cb 1.06 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 38.10 1a2k h ASN 103 CO -0.40 0.94 0.01 -0.50 -1.06 0.00 0.00 177.43 176.42 1a2k h TRP 104 N 0.69 0.14 0.21 1.19 4.06 -0.73 -2.46 115.95 119.06 1a2k h TRP 104 Ca 0.11 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.05 1a2k h TRP 104 Cb 0.66 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.75 1a2k h TRP 104 CO 0.03 0.36 -0.30 1.25 -3.56 0.00 0.00 178.44 176.22 1a2k h HIS 105 N -0.11 -0.82 -0.34 0.49 2.76 -1.10 -1.12 115.15 114.91 1a2k h HIS 105 Ca 0.02 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1a2k h HIS 105 Cb 0.30 0.33 -0.08 0.00 1.55 0.00 0.00 27.41 29.50 1a2k h HIS 105 CO 0.02 -0.42 -0.42 -0.09 -1.30 0.00 0.00 177.93 175.72 1a2k h ARG 106 N -0.58 -0.35 -0.75 5.26 2.43 -1.33 0.35 114.38 119.41 1a2k h ARG 106 Ca 0.01 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1a2k h ARG 106 Cb 0.57 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.13 1a2k h ARG 106 CO -0.12 -0.23 0.41 0.22 -1.51 0.00 0.00 179.97 178.74 1a2k h ASP 107 N -0.36 0.58 -0.24 -3.80 1.82 -1.35 -0.30 116.42 112.77 1a2k h ASP 107 Ca 0.12 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 1a2k h ASP 107 Cb 0.59 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1a2k h ASP 107 CO -0.53 0.34 0.11 0.25 -1.61 0.00 0.00 179.24 177.80 1a2k h LEU 108 N 0.71 0.32 -0.52 2.28 5.85 -0.79 -3.17 115.31 119.99 1a2k h LEU 108 Ca 0.36 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1a2k h LEU 108 Cb 0.32 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1a2k h LEU 108 CO -0.24 0.37 0.00 0.58 -0.34 0.00 0.00 178.44 178.81 1a2k h VAL 109 N 0.25 0.00 -0.16 1.05 2.07 0.03 -1.54 116.25 117.94 1a2k h VAL 109 Ca 0.08 -0.45 -0.17 0.00 0.82 0.00 0.00 66.70 66.98 1a2k h VAL 109 Cb 0.14 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1a2k h VAL 109 CO -0.01 0.00 -0.61 -0.09 0.02 0.00 0.00 177.57 176.88 1a2k h ARG 110 N 0.00 0.56 0.04 1.57 2.43 -1.03 -3.36 114.38 114.59 1a2k h ARG 110 Ca 0.00 -0.38 -0.38 0.00 -0.81 0.00 0.00 59.98 58.40 1a2k h ARG 110 Cb 0.59 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1a2k h ARG 110 CO 0.00 1.00 -2.27 0.28 -1.51 0.00 0.00 179.97 177.47 1a2k n VAL 111 N -3.93 1.59 -4.44 0.20 0.31 -1.18 -4.92 118.33 105.96 1a2k n VAL 111 Ca -0.04 -0.55 -0.34 0.00 -0.01 0.00 0.00 64.34 63.40 1a2k n VAL 111 Cb 0.64 -1.59 -0.13 0.00 -0.91 0.00 0.00 33.84 31.85 1a2k n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a2k n GLU 113 N 3.65 0.00 -2.88 0.00 1.02 -1.26 -3.78 120.64 117.39 1a2k n GLU 113 Ca -0.18 0.15 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 1a2k n GLU 113 Cb 0.52 -0.59 -0.02 0.00 -0.02 0.00 0.00 31.44 31.33 1a2k n GLU 113 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a2k n ASN 114 N -2.07 5.52 -4.85 1.62 3.02 -1.26 -4.72 115.26 112.53 1a2k n ASN 114 Ca 0.00 -3.66 -0.32 0.00 -0.03 0.00 0.00 54.58 50.57 1a2k n ASN 114 Cb 0.00 -0.82 -0.06 0.00 -0.61 0.00 0.00 39.78 38.30 1a2k n ASN 114 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1a2k s ILE 115 N -4.17 5.08 0.13 2.41 -4.36 -1.26 -5.07 121.20 113.95 1a2k s ILE 115 Ca 0.44 -0.36 -0.31 0.00 -0.26 0.00 0.00 60.65 60.16 1a2k s ILE 115 Cb 0.23 -3.39 -0.09 0.00 1.25 0.00 0.00 42.46 40.46 1a2k s ILE 115 CO -0.11 0.27 1.53 -2.16 0.24 0.00 0.00 174.94 174.71 1a2k s PRO 116 N -2.03 4.24 -0.02 0.37 0.04 -1.26 -4.91 135.00 131.43 1a2k s PRO 116 Ca 0.27 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.61 1a2k s PRO 116 Cb -0.12 -3.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1a2k s PRO 116 CO 0.19 -0.58 -0.13 0.42 0.04 0.00 0.00 177.00 176.94 1a2k s ILE 117 N 1.43 1.05 -0.07 0.56 1.01 -0.12 -2.32 121.20 122.74 1a2k s ILE 117 Ca 0.69 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1a2k s ILE 117 Cb -0.41 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1a2k s ILE 117 CO 0.31 0.31 -0.07 -0.69 0.00 0.00 0.00 174.94 174.80 1a2k s VAL 118 N -0.05 3.73 -0.17 2.92 1.01 -0.27 -2.54 120.40 125.03 1a2k s VAL 118 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1a2k s VAL 118 Cb -0.08 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1a2k s VAL 118 CO 0.00 0.60 0.08 -0.22 0.00 0.00 0.00 175.10 175.56 1a2k s LEU 119 N -0.80 3.95 -0.06 3.92 2.96 0.16 0.18 118.68 128.98 1a2k s LEU 119 Ca 0.12 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 1a2k s LEU 119 Cb -0.11 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1a2k s LEU 119 CO 0.01 0.22 -0.11 0.00 -1.32 0.00 0.00 176.35 175.16 1a2k s GLY 121 N 0.74 1.81 0.81 0.00 0.00 -0.85 -0.79 107.32 109.03 1a2k s GLY 121 Ca -0.13 -2.06 -0.12 0.00 0.00 0.00 0.00 44.72 42.41 1a2k s GLY 121 CO 0.03 1.48 1.11 0.21 0.00 0.00 0.00 173.10 175.93 1a2k s ASN 122 N 3.21 4.42 -0.79 1.64 2.47 0.18 -1.19 114.94 124.86 1a2k s ASN 122 Ca 0.12 1.20 -0.05 0.00 0.42 0.00 0.00 52.86 54.55 1a2k s ASN 122 Cb -0.23 -1.90 0.01 0.00 -1.45 0.00 0.00 41.25 37.68 1a2k s ASN 122 CO 0.08 -2.00 0.69 0.29 -3.72 0.00 0.00 177.10 172.44 1a2k n LYS 123 N -3.44 -4.65 -0.02 0.43 5.02 -1.03 -1.94 118.16 112.52 1a2k n LYS 123 Ca 0.07 0.49 0.10 0.00 -2.02 0.00 0.00 58.31 56.95 1a2k n LYS 123 Cb 0.57 -4.50 0.51 0.00 -0.02 0.00 0.00 35.03 31.58 1a2k n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1a2k n VAL 124 N -3.88 0.07 -0.04 -0.18 0.24 -1.15 -2.41 118.33 110.97 1a2k n VAL 124 Ca -0.01 -0.11 -0.15 0.00 -2.04 0.00 0.00 64.34 62.03 1a2k n VAL 124 Cb 0.54 -0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 32.76 1a2k n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1a2k h ASP 125 N 0.74 0.47 -2.40 -1.34 2.03 -1.90 -3.45 116.42 110.57 1a2k h ASP 125 Ca 0.00 -0.60 -0.54 0.00 -0.73 0.00 0.00 57.03 55.17 1a2k h ASP 125 Cb 0.16 -0.14 0.01 0.00 -0.83 0.00 0.00 39.33 38.54 1a2k h ASP 125 CO 0.00 0.99 1.22 -0.63 -1.03 0.00 0.00 179.24 179.78 1a2k s ILE 126 N -3.85 3.14 0.36 4.15 1.01 -1.01 -4.88 121.20 120.11 1a2k s ILE 126 Ca -0.14 0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1a2k s ILE 126 Cb 0.05 -3.11 0.21 0.00 0.01 0.00 0.00 42.46 39.62 1a2k s ILE 126 CO 0.79 -0.02 1.96 0.11 0.00 0.00 0.00 174.94 177.77 1a2k h LYS 127 N 10.60 0.61 -6.02 2.79 1.57 -1.89 -3.36 116.57 120.87 1a2k h LYS 127 Ca -0.47 -0.08 -0.62 0.00 -1.87 0.00 0.00 60.65 57.61 1a2k h LYS 127 Cb 1.22 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.32 1a2k h LYS 127 CO 0.94 0.51 1.65 0.34 -0.57 0.00 0.00 179.45 182.32 1a2k s ASP 128 N -6.66 6.59 -0.11 0.86 2.15 -1.26 -4.98 116.67 113.25 1a2k s ASP 128 Ca -0.08 -1.71 -0.16 0.00 0.43 0.00 0.00 52.55 51.03 1a2k s ASP 128 Cb 0.16 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 1a2k s ASP 128 CO 0.76 -1.41 0.40 -0.60 -0.17 0.00 0.00 175.17 174.14 1a2k s ARG 129 N 4.73 4.23 -0.24 4.34 3.52 -1.26 -4.69 118.95 129.58 1a2k s ARG 129 Ca 0.48 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 56.37 1a2k s ARG 129 Cb 0.01 -3.39 -0.14 0.00 -1.56 0.00 0.00 34.95 29.86 1a2k s ARG 129 CO -0.06 0.28 -0.25 1.63 -0.81 0.00 0.00 175.30 176.10 1a2k n LYS 130 N 3.32 0.58 -3.26 5.12 4.76 0.33 -4.78 118.16 124.23 1a2k n LYS 130 Ca -0.10 0.17 -0.46 0.00 -2.87 0.00 0.00 58.31 55.04 1a2k n LYS 130 Cb 0.52 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.22 1a2k n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a2k s VAL 131 N -2.48 5.43 0.88 -0.18 1.01 0.10 -4.96 120.40 120.20 1a2k s VAL 131 Ca -0.33 -2.21 -0.10 0.00 0.00 0.00 0.00 61.98 59.33 1a2k s VAL 131 Cb 0.10 -4.50 0.18 0.00 0.00 0.00 0.00 36.38 32.15 1a2k s VAL 131 CO 0.52 -1.09 1.21 -0.54 0.00 0.00 0.00 175.10 175.21 1a2k s LYS 132 N 0.73 0.95 0.18 2.72 1.02 -1.26 -4.87 119.74 119.21 1a2k s LYS 132 Ca 0.19 -0.71 -0.13 0.00 0.02 0.00 0.00 55.97 55.34 1a2k s LYS 132 Cb -0.11 -2.02 0.14 0.00 -0.52 0.00 0.00 37.83 35.32 1a2k s LYS 132 CO -0.08 -2.11 1.79 0.00 -0.92 0.00 0.00 175.35 174.04 1a2k h ALA 133 N -1.27 0.67 -0.56 5.17 0.00 -1.92 -2.92 119.26 118.43 1a2k h ALA 133 Ca -0.41 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1a2k h ALA 133 Cb 1.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1a2k h ALA 133 CO 0.37 -0.06 0.19 1.57 0.00 0.00 0.00 179.25 181.32 1a2k h LYS 134 N 0.53 0.82 -0.22 0.00 2.10 -1.96 -1.67 116.57 116.18 1a2k h LYS 134 Ca 0.23 -0.14 -0.09 0.00 -2.00 0.00 0.00 60.65 58.65 1a2k h LYS 134 Cb 0.12 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1a2k h LYS 134 CO -0.15 0.70 -0.24 0.77 -2.00 0.00 0.00 179.45 178.53 1a2k h SER 135 N 0.81 0.41 -2.30 7.07 0.02 -1.94 -3.41 113.55 114.21 1a2k h SER 135 Ca 0.19 -0.13 -0.53 0.00 -0.84 0.00 0.00 61.79 60.48 1a2k h SER 135 Cb 0.21 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 1a2k h SER 135 CO -0.01 0.65 1.12 -0.63 -1.14 0.00 0.00 176.83 176.81 1a2k s ILE 136 N -4.51 3.65 0.00 3.27 1.01 -0.63 -4.66 121.20 119.33 1a2k s ILE 136 Ca -0.06 0.38 0.12 0.00 0.00 0.00 0.00 60.65 61.08 1a2k s ILE 136 Cb 0.14 -4.73 0.20 0.00 0.01 0.00 0.00 42.46 38.08 1a2k s ILE 136 CO 0.78 -1.67 1.05 1.33 0.00 0.00 0.00 174.94 176.42 1a2k n VAL 137 N 6.54 0.00 0.18 2.92 0.24 -1.26 -4.86 118.33 122.08 1a2k n VAL 137 Ca 0.06 -0.46 0.07 0.00 -2.04 0.00 0.00 64.34 61.98 1a2k n VAL 137 Cb 0.50 0.70 0.09 0.00 -1.47 0.00 0.00 33.84 33.65 1a2k n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1a2k h PHE 138 N 0.46 0.00 -0.05 6.34 3.57 -1.98 -3.28 116.94 122.00 1a2k h PHE 138 Ca -0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1a2k h PHE 138 Cb 1.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.34 1a2k h PHE 138 CO 0.09 0.25 0.00 -2.39 -2.23 0.00 0.00 178.31 174.03 1a2k n HIS 139 N -3.15 0.06 -1.38 0.41 1.44 -1.26 -4.00 115.22 107.34 1a2k n HIS 139 Ca 0.03 -0.03 -0.27 0.00 -2.01 0.00 0.00 57.72 55.44 1a2k n HIS 139 Cb 0.63 -0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.86 1a2k n HIS 139 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1a2k n ARG 140 N -0.36 2.53 -3.17 -1.40 1.74 -1.24 -4.14 116.66 110.62 1a2k n ARG 140 Ca 0.02 -3.27 -0.20 0.00 -0.77 0.00 0.00 57.85 53.62 1a2k n ARG 140 Cb 0.04 -2.20 -0.04 0.00 -1.02 0.00 0.00 32.46 29.24 1a2k n ARG 140 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1a2k n LYS 141 N -1.00 1.22 -1.28 5.56 5.02 -1.26 -4.90 118.16 121.51 1a2k n LYS 141 Ca 0.57 -3.55 -0.40 0.00 -2.02 0.00 0.00 58.31 52.91 1a2k n LYS 141 Cb 1.07 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 34.40 1a2k n LYS 141 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a2k n LYS 142 N 0.46 0.06 0.00 1.97 4.76 -1.26 -4.43 118.16 119.71 1a2k n LYS 142 Ca 0.25 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1a2k n LYS 142 Cb 0.60 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1a2k n LYS 142 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1a2k n ASN 143 N 2.27 0.00 -3.92 4.39 2.85 -1.26 -5.09 115.26 114.50 1a2k n ASN 143 Ca 0.09 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.35 1a2k n ASN 143 Cb 0.45 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.31 1a2k n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1a2k s LEU 144 N 0.00 1.41 0.07 1.20 2.01 -1.24 -0.95 118.68 121.18 1a2k s LEU 144 Ca 0.00 -0.17 0.07 0.00 0.01 0.00 0.00 54.13 54.04 1a2k s LEU 144 Cb 0.00 -0.53 -0.03 0.00 0.01 0.00 0.00 46.19 45.64 1a2k s LEU 144 CO 0.00 -0.03 -0.18 -1.58 1.01 0.00 0.00 176.35 175.57 1a2k s GLN 145 N 0.85 1.03 -0.09 1.70 -0.44 -1.05 -4.85 119.66 116.82 1a2k s GLN 145 Ca -0.12 -1.00 -0.02 0.00 -2.50 0.00 0.00 55.36 51.72 1a2k s GLN 145 Cb -0.15 -1.16 -0.03 0.00 -1.64 0.00 0.00 33.01 30.03 1a2k s GLN 145 CO 0.01 0.27 -0.01 -0.47 0.50 0.00 0.00 175.29 175.59 1a2k s TYR 146 N -1.09 3.11 -0.02 1.67 5.04 -1.26 0.35 117.35 125.14 1a2k s TYR 146 Ca 0.03 0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.80 1a2k s TYR 146 Cb -0.09 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.45 1a2k s TYR 146 CO 0.03 0.41 -0.01 0.71 -1.34 0.00 0.00 175.55 175.35 1a2k s TYR 147 N -0.77 0.31 0.12 4.97 2.02 -0.12 -4.94 117.35 118.95 1a2k s TYR 147 Ca 0.12 -0.01 -0.31 0.00 -0.37 0.00 0.00 57.07 56.50 1a2k s TYR 147 Cb -0.11 -0.36 -0.08 0.00 -0.40 0.00 0.00 41.96 41.00 1a2k s TYR 147 CO 0.02 -0.11 1.36 -0.51 -1.57 0.00 0.00 175.55 174.75 1a2k s ASP 148 N 0.80 6.86 0.07 2.29 1.11 -1.26 -2.01 116.67 124.53 1a2k s ASP 148 Ca -0.08 2.31 0.02 0.00 0.18 0.00 0.00 52.55 54.97 1a2k s ASP 148 Cb -0.11 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.25 1a2k s ASP 148 CO -0.01 -0.62 -0.07 0.27 1.18 0.00 0.00 175.17 175.92 1a2k s ILE 149 N 0.95 0.58 -0.29 0.77 -4.36 -0.34 -4.74 121.20 113.78 1a2k s ILE 149 Ca 0.63 -1.61 -0.03 0.00 -0.26 0.00 0.00 60.65 59.38 1a2k s ILE 149 Cb -0.36 -1.27 0.10 0.00 1.25 0.00 0.00 42.46 42.17 1a2k s ILE 149 CO 0.31 -0.71 0.11 -0.55 0.24 0.00 0.00 174.94 174.34 1a2k s SER 150 N -2.51 3.61 0.18 4.36 0.15 -1.05 -2.47 113.70 115.97 1a2k s SER 150 Ca 0.03 -1.34 -0.13 0.00 0.70 0.00 0.00 55.95 55.21 1a2k s SER 150 Cb 0.00 -0.52 0.17 0.00 -1.71 0.00 0.00 66.02 63.96 1a2k s SER 150 CO -0.03 -0.42 1.74 0.00 1.20 0.00 0.00 173.24 175.72 1a2k h ALA 151 N 8.30 0.59 0.00 5.45 0.00 -1.92 -1.89 119.26 129.79 1a2k h ALA 151 Ca -0.18 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1a2k h ALA 151 Cb 1.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1a2k h ALA 151 CO 0.44 -0.24 -0.25 0.87 0.00 0.00 0.00 179.25 180.07 1a2k h LYS 152 N 0.32 0.00 0.00 0.00 1.79 -1.95 -2.96 116.57 113.77 1a2k h LYS 152 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1a2k h LYS 152 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1a2k h LYS 152 CO -0.26 0.25 -1.02 -1.13 -1.08 0.00 0.00 179.45 176.21 1a2k n SER 153 N -4.08 0.70 -0.05 0.86 3.41 -1.13 -0.15 113.62 113.17 1a2k n SER 153 Ca -0.02 -0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 58.05 1a2k n SER 153 Cb 0.31 0.91 -0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1a2k n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a2k n ASN 154 N -1.72 -3.43 -4.65 4.04 3.02 -0.75 -4.66 115.26 107.10 1a2k n ASN 154 Ca 0.03 0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 1a2k n ASN 154 Cb 0.39 -0.99 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 1a2k n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1a2k s TYR 155 N -1.91 2.51 -1.87 3.10 5.04 -0.97 -1.89 117.35 121.36 1a2k s TYR 155 Ca 0.00 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1a2k s TYR 155 Cb 0.00 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1a2k s TYR 155 CO 0.00 -2.41 0.00 0.09 -1.34 0.00 0.00 175.55 171.89 1a2k n ASN 156 N 7.10 -5.42 -0.17 4.32 3.02 -1.26 -2.54 115.26 120.31 1a2k n ASN 156 Ca 0.15 0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.93 1a2k n ASN 156 Cb 0.45 -4.55 0.04 0.00 -0.61 0.00 0.00 39.78 35.10 1a2k n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1a2k h PHE 157 N 0.00 -0.41 -0.94 3.10 3.57 -1.72 -1.13 116.94 119.41 1a2k h PHE 157 Ca -0.42 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.20 1a2k h PHE 157 Cb 1.29 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 40.23 1a2k h PHE 157 CO 0.53 -0.27 0.60 1.05 -2.23 0.00 0.00 178.31 177.98 1a2k h GLU 158 N -0.05 1.03 -0.60 1.11 4.11 -1.91 -3.39 114.58 114.88 1a2k h GLU 158 Ca 0.25 -0.06 0.09 0.00 0.07 0.00 0.00 59.36 59.71 1a2k h GLU 158 Cb 0.44 -0.23 -0.11 0.00 0.50 0.00 0.00 28.75 29.35 1a2k h GLU 158 CO -0.58 0.68 -0.45 0.87 0.07 0.00 0.00 179.01 179.61 1a2k h LYS 159 N 1.06 -0.21 -0.12 1.06 1.79 -1.60 -0.58 116.57 117.97 1a2k h LYS 159 Ca 0.42 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.91 1a2k h LYS 159 Cb 0.21 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1a2k h LYS 159 CO -0.19 -0.14 0.03 -1.35 -1.08 0.00 0.00 179.45 176.72 1a2k h PRO 160 N -0.22 0.08 -0.79 3.15 0.10 -1.75 -2.28 132.00 130.28 1a2k h PRO 160 Ca 0.18 -0.00 -0.05 0.00 0.10 0.00 0.00 66.00 66.22 1a2k h PRO 160 Cb 0.56 -0.02 -0.03 0.00 0.10 0.00 0.00 31.00 31.61 1a2k h PRO 160 CO -0.71 0.05 0.30 0.74 0.10 0.00 0.00 178.00 178.49 1a2k h PHE 161 N 0.08 1.22 -0.80 0.65 0.04 -1.61 -1.68 116.94 114.84 1a2k h PHE 161 Ca 0.05 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1a2k h PHE 161 Cb 0.04 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 37.79 1a2k h PHE 161 CO -0.11 0.93 0.47 1.25 -0.60 0.00 0.00 178.31 180.24 1a2k h LEU 162 N 1.16 0.97 -0.20 1.54 5.85 -0.78 0.14 115.31 123.99 1a2k h LEU 162 Ca 0.26 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1a2k h LEU 162 Cb 0.24 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1a2k h LEU 162 CO -0.02 0.76 0.06 -0.25 -0.34 0.00 0.00 178.44 178.66 1a2k h TRP 163 N 1.10 0.32 -0.77 1.25 7.01 -1.29 -0.46 115.95 123.12 1a2k h TRP 163 Ca 0.29 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 1a2k h TRP 163 Cb -0.02 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 26.91 1a2k h TRP 163 CO -0.00 0.40 0.36 -0.07 -2.79 0.00 0.00 178.44 176.33 1a2k h LEU 164 N 0.15 1.02 -0.68 0.65 3.38 -1.24 -2.10 115.31 116.48 1a2k h LEU 164 Ca 0.07 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1a2k h LEU 164 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1a2k h LEU 164 CO -0.00 0.87 0.02 0.00 0.09 0.00 0.00 178.44 179.42 1a2k h ALA 165 N 1.28 0.89 -0.33 1.53 0.00 -0.47 -0.85 119.26 121.32 1a2k h ALA 165 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a2k h ALA 165 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a2k h ALA 165 CO -0.03 0.66 0.21 0.00 0.00 0.00 0.00 179.25 180.09 1a2k h ARG 166 N 0.96 0.45 -0.24 0.00 3.08 -0.76 -1.62 114.38 116.25 1a2k h ARG 166 Ca 0.18 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1a2k h ARG 166 Cb 0.52 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1a2k h ARG 166 CO 0.03 0.32 0.05 0.87 -1.07 0.00 0.00 179.97 180.17 1a2k h LYS 167 N 0.44 0.39 -0.91 0.04 1.79 -1.37 -0.71 116.57 116.24 1a2k h LYS 167 Ca 0.12 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1a2k h LYS 167 Cb -0.01 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1a2k h LYS 167 CO -0.02 0.50 0.55 -0.07 -1.08 0.00 0.00 179.45 179.33 1a2k h LEU 168 N 0.20 1.09 0.00 2.94 3.38 -1.10 -3.25 115.31 118.58 1a2k h LEU 168 Ca 0.07 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1a2k h LEU 168 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1a2k h LEU 168 CO 0.00 0.83 -1.55 -0.38 0.09 0.00 0.00 178.44 177.44 1a2k n ILE 169 N -4.39 0.99 0.00 1.22 5.41 -0.62 -4.97 119.36 117.00 1a2k n ILE 169 Ca 0.10 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 63.18 1a2k n ILE 169 Cb 0.05 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 1a2k n ILE 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a2k n GLY 170 N 1.39 1.06 2.87 7.39 0.00 -0.30 -5.07 105.19 112.53 1a2k n GLY 170 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1a2k n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a2k s ASP 171 N -2.00 2.37 0.00 1.61 2.15 -1.03 -4.99 116.67 114.78 1a2k s ASP 171 Ca 0.00 -0.43 0.26 0.00 0.43 0.00 0.00 52.55 52.81 1a2k s ASP 171 Cb 0.00 -0.79 0.73 0.00 -0.30 0.00 0.00 42.92 42.56 1a2k s ASP 171 CO 0.00 -0.17 1.55 -0.81 -0.17 0.00 0.00 175.17 175.58 1a2k n PRO 172 N 4.96 0.82 0.01 4.34 -0.04 -1.26 -3.38 135.00 140.45 1a2k n PRO 172 Ca -0.11 -0.49 0.01 0.00 -0.04 0.00 0.00 63.50 62.87 1a2k n PRO 172 Cb 0.49 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1a2k n PRO 172 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a2k n ASN 173 N -0.67 0.61 -3.99 3.54 3.02 -1.26 -4.99 115.26 111.52 1a2k n ASN 173 Ca 0.12 0.27 -0.54 0.00 -0.03 0.00 0.00 54.58 54.39 1a2k n ASN 173 Cb 0.35 0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 40.00 1a2k n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1a2k n LEU 174 N -2.77 0.45 -4.69 3.41 7.94 -1.22 -4.96 117.00 115.17 1a2k n LEU 174 Ca -0.12 1.02 -0.24 0.00 -1.11 0.00 0.00 56.01 55.55 1a2k n LEU 174 Cb 0.83 -0.78 -0.08 0.00 0.53 0.00 0.00 43.42 43.93 1a2k n LEU 174 CO 0.43 -1.25 -0.23 -1.61 -1.11 0.00 0.00 177.39 173.63 1a2k s GLU 175 N 1.14 2.21 -0.24 1.96 0.41 -1.26 -4.93 118.70 117.99 1a2k s GLU 175 Ca 0.84 -1.72 -0.12 0.00 -0.41 0.00 0.00 54.97 53.56 1a2k s GLU 175 Cb -1.19 -2.02 -0.05 0.00 -1.78 0.00 0.00 34.13 29.10 1a2k s GLU 175 CO 0.59 0.05 0.24 -0.06 -0.49 0.00 0.00 175.26 175.59 1a2k s PHE 176 N -2.51 3.32 -0.07 1.61 0.08 -1.26 -2.11 117.98 117.03 1a2k s PHE 176 Ca 0.37 0.33 0.17 0.00 0.12 0.00 0.00 56.93 57.92 1a2k s PHE 176 Cb 0.00 -2.37 0.31 0.00 -0.57 0.00 0.00 43.02 40.39 1a2k s PHE 176 CO 0.21 0.00 1.56 -0.39 -0.10 0.00 0.00 175.22 176.50 1a2k h VAL 177 N 5.08 0.79 -2.78 -0.44 -1.51 -1.29 -3.46 116.25 112.64 1a2k h VAL 177 Ca -0.37 -1.90 -0.11 0.00 -1.23 0.00 0.00 66.70 63.09 1a2k h VAL 177 Cb 1.17 2.23 -0.21 0.00 -2.13 0.00 0.00 31.29 32.35 1a2k h VAL 177 CO 0.66 0.42 -0.19 0.00 -1.23 0.00 0.00 177.57 177.22 1a2k s ALA 178 N -3.18 -1.01 0.18 5.19 0.00 -1.25 -5.11 121.76 116.59 1a2k s ALA 178 Ca 0.03 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 1a2k s ALA 178 Cb 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 1a2k s ALA 178 CO 0.72 -0.25 1.03 1.41 0.00 0.00 0.00 175.76 178.66 1a2k s MET 179 N -0.78 4.68 0.99 0.00 1.75 -1.26 -4.44 119.30 120.25 1a2k s MET 179 Ca -0.09 1.60 -0.12 0.00 -1.25 0.00 0.00 55.69 55.84 1a2k s MET 179 Cb -0.04 -3.30 0.19 0.00 2.84 0.00 0.00 34.83 34.52 1a2k s MET 179 CO 0.04 0.22 1.08 -2.14 -0.65 0.00 0.00 175.02 173.57 1a2k s PRO 180 N -0.54 0.44 -0.18 4.11 0.02 -1.26 -4.89 135.00 132.69 1a2k s PRO 180 Ca 0.46 0.93 -0.29 0.00 0.02 0.00 0.00 61.00 62.13 1a2k s PRO 180 Cb -0.27 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1a2k s PRO 180 CO 0.33 -2.83 2.06 0.00 -0.33 0.00 0.00 177.00 176.23 1a2k s ALA 181 N -2.74 2.97 -0.08 -1.55 0.00 -1.26 -4.97 121.76 114.14 1a2k s ALA 181 Ca 0.66 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1a2k s ALA 181 Cb -0.21 -4.00 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 1a2k s ALA 181 CO 0.60 -2.44 -0.17 -0.51 0.00 0.00 0.00 175.76 173.24 1a2k s LEU 182 N 7.03 2.54 -0.17 0.00 1.43 -1.26 -0.81 118.68 127.44 1a2k s LEU 182 Ca 0.93 -0.33 -0.40 0.00 -1.03 0.00 0.00 54.13 53.30 1a2k s LEU 182 Cb -0.33 -1.52 -0.17 0.00 0.03 0.00 0.00 46.19 44.20 1a2k s LEU 182 CO 0.36 0.26 1.53 0.00 0.23 0.00 0.00 176.35 178.72 1a2k n ALA 183 N 2.88 -0.97 -1.72 4.21 0.00 -0.25 -4.83 120.51 119.84 1a2k n ALA 183 Ca -0.18 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1a2k n ALA 183 Cb 0.52 -2.09 -0.00 0.00 0.00 0.00 0.00 19.45 17.88 1a2k n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1a2k n PRO 184 N 3.89 2.25 -1.53 0.00 -0.02 -1.26 -4.86 135.00 133.47 1a2k n PRO 184 Ca 0.24 0.79 -0.49 0.00 -2.02 0.00 0.00 63.50 62.01 1a2k n PRO 184 Cb 0.12 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 1a2k n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a2k n PRO 185 N 0.48 0.75 0.00 0.52 -0.02 -1.26 -4.89 135.00 130.57 1a2k n PRO 185 Ca 0.04 0.27 0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1a2k n PRO 185 Cb 0.37 -1.62 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 1a2k n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a2k n GLU 186 N 1.36 0.01 -3.91 -0.52 1.02 0.79 -4.96 120.64 114.42 1a2k n GLU 186 Ca 0.16 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 1a2k n GLU 186 Cb 0.24 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 1a2k n GLU 186 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a2k s VAL 187 N -3.00 0.15 -0.01 2.62 1.01 -1.23 -5.03 120.40 114.91 1a2k s VAL 187 Ca 0.08 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 1a2k s VAL 187 Cb 0.16 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1a2k s VAL 187 CO 0.86 -0.69 0.43 -0.69 0.00 0.00 0.00 175.10 175.01 1a2k s VAL 188 N -3.50 5.03 -0.49 2.92 1.01 -1.26 -4.27 120.40 119.83 1a2k s VAL 188 Ca 0.02 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 1a2k s VAL 188 Cb 0.04 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1a2k s VAL 188 CO -0.09 0.53 0.42 -0.32 0.00 0.00 0.00 175.10 175.64 1a2k s MET 189 N -0.78 2.89 -0.15 2.72 1.75 -1.26 -4.90 119.30 119.57 1a2k s MET 189 Ca 0.24 -1.55 -0.39 0.00 -1.25 0.00 0.00 55.69 52.74 1a2k s MET 189 Cb -0.17 -4.14 -0.17 0.00 2.84 0.00 0.00 34.83 33.20 1a2k s MET 189 CO 0.13 -1.16 1.56 -3.47 -0.65 0.00 0.00 175.02 171.44 1a2k n ASP 190 N 5.16 1.92 -0.15 1.11 2.03 -1.26 -4.84 116.55 120.52 1a2k n ASP 190 Ca -0.12 1.10 -0.03 0.00 0.52 0.00 0.00 54.79 56.26 1a2k n ASP 190 Cb 0.42 -1.13 0.06 0.00 -0.72 0.00 0.00 41.12 39.75 1a2k n ASP 190 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1a2k h PRO 191 N 5.91 0.19 -0.13 -0.67 0.11 -1.99 -2.00 132.00 133.43 1a2k h PRO 191 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1a2k h PRO 191 Cb 1.33 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1a2k h PRO 191 CO 0.88 0.13 -0.42 0.00 -0.21 0.00 0.00 178.00 178.38 1a2k h ALA 192 N 1.38 1.05 -0.22 -0.75 0.00 -1.99 -1.86 119.26 116.87 1a2k h ALA 192 Ca 0.24 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1a2k h ALA 192 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1a2k h ALA 192 CO -0.33 0.61 0.09 -0.07 0.00 0.00 0.00 179.25 179.54 1a2k h LEU 193 N 0.24 0.11 -0.95 0.00 3.38 -1.81 -1.12 115.31 115.16 1a2k h LEU 193 Ca 0.02 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1a2k h LEU 193 Cb 0.84 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1a2k h LEU 193 CO 0.07 0.09 0.60 0.00 0.09 0.00 0.00 178.44 179.29 1a2k h ALA 194 N 1.13 1.31 0.00 1.53 0.00 -1.16 0.23 119.26 122.31 1a2k h ALA 194 Ca 0.09 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1a2k h ALA 194 Cb 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1a2k h ALA 194 CO -0.09 0.37 -0.98 0.00 0.00 0.00 0.00 179.25 178.55 1a2k h ALA 195 N 1.44 0.29 0.27 0.00 0.00 -1.16 -2.38 119.26 117.73 1a2k h ALA 195 Ca 0.41 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a2k h ALA 195 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a2k h ALA 195 CO -0.18 0.78 -0.21 0.37 0.00 0.00 0.00 179.25 180.02 1a2k h GLN 196 N 0.27 -0.47 -0.49 0.00 4.15 -0.94 -2.56 115.11 115.07 1a2k h GLN 196 Ca -0.09 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.43 1a2k h GLN 196 Cb 1.62 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.39 1a2k h GLN 196 CO 0.18 -0.31 0.33 1.88 -1.93 0.00 0.00 178.83 178.97 1a2k h TYR 197 N -0.48 0.39 -0.30 3.99 0.05 -0.98 -1.72 116.97 117.92 1a2k h TYR 197 Ca -0.02 0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.60 1a2k h TYR 197 Cb 0.42 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1a2k h TYR 197 CO -0.12 0.20 -0.49 0.93 -1.05 0.00 0.00 178.16 177.63 1a2k h GLU 198 N 0.38 0.86 0.21 4.88 5.08 -1.08 -3.00 114.58 121.91 1a2k h GLU 198 Ca 0.22 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1a2k h GLU 198 Cb 0.37 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1a2k h GLU 198 CO -0.05 1.16 -0.10 1.25 -1.00 0.00 0.00 179.01 180.27 1a2k h HIS 199 N 0.64 -0.26 -0.54 4.33 2.76 -1.08 -2.06 115.15 118.94 1a2k h HIS 199 Ca 0.02 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 1a2k h HIS 199 Cb 1.10 0.09 -0.11 0.00 1.55 0.00 0.00 27.41 30.04 1a2k h HIS 199 CO 0.07 -0.02 -0.21 -0.44 -1.30 0.00 0.00 177.93 176.04 1a2k h ASP 200 N -0.46 -0.72 -0.30 3.26 3.32 -1.38 0.19 116.42 120.33 1a2k h ASP 200 Ca -0.03 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1a2k h ASP 200 Cb 0.35 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1a2k h ASP 200 CO 0.05 -0.24 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.26 1a2k h LEU 201 N -0.08 0.61 0.55 1.55 3.38 -1.58 -0.46 115.31 119.28 1a2k h LEU 201 Ca 0.25 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1a2k h LEU 201 Cb 0.47 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1a2k h LEU 201 CO -0.59 0.69 -0.26 -0.33 0.09 0.00 0.00 178.44 178.03 1a2k h GLU 202 N 0.61 -0.71 -0.11 1.13 5.08 -0.19 -2.74 114.58 117.66 1a2k h GLU 202 Ca 0.12 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1a2k h GLU 202 Cb 0.39 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1a2k h GLU 202 CO 0.01 -0.40 -0.31 0.28 -1.00 0.00 0.00 179.01 177.59 1a2k h VAL 203 N -1.04 0.30 -0.70 3.13 2.07 -0.68 -1.28 116.25 118.05 1a2k h VAL 203 Ca -0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1a2k h VAL 203 Cb 0.63 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1a2k h VAL 203 CO 0.12 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.33 1a2k n ALA 204 N -2.81 -0.36 0.46 1.67 0.00 -0.19 0.05 120.51 119.33 1a2k n ALA 204 Ca -0.03 0.62 0.13 0.00 0.00 0.00 0.00 53.44 54.16 1a2k n ALA 204 Cb 0.32 -0.15 0.45 0.00 0.00 0.00 0.00 19.45 20.07 1a2k n ALA 204 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1a2k h GLN 205 N 0.00 0.00 0.00 0.00 5.75 -0.95 -2.70 115.11 117.21 1a2k h GLN 205 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1a2k h GLN 205 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1a2k h GLN 205 CO -0.67 0.00 -0.57 0.25 -2.65 0.00 0.00 178.83 175.19 1a2k n THR 206 N -2.40 0.29 -0.84 2.39 -2.24 0.11 -3.71 114.28 107.89 1a2k n THR 206 Ca 0.03 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1a2k n THR 206 Cb 0.34 -0.09 0.24 0.00 -2.10 0.00 0.00 70.33 68.71 1a2k n THR 206 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1a2k n THR 207 N -2.00 2.03 -2.49 4.28 -2.24 -0.70 -5.05 114.28 108.11 1a2k n THR 207 Ca 0.04 -1.72 -0.41 0.00 -2.27 0.00 0.00 64.05 59.69 1a2k n THR 207 Cb 0.42 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1a2k n THR 207 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a2k s ALA 208 N -2.48 3.39 0.36 6.98 0.00 -1.04 -5.01 121.76 123.96 1a2k s ALA 208 Ca 0.38 0.85 0.07 0.00 0.00 0.00 0.00 51.96 53.26 1a2k s ALA 208 Cb 0.30 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1a2k s ALA 208 CO 0.10 -0.20 0.40 -0.51 0.00 0.00 0.00 175.76 175.55 1a2k s LEU 209 N -0.72 3.72 1.31 0.00 1.43 -1.26 -5.09 118.68 118.06 1a2k s LEU 209 Ca 0.48 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 1a2k s LEU 209 Cb -0.30 -2.45 0.31 0.00 0.03 0.00 0.00 46.19 43.78 1a2k s LEU 209 CO 0.37 -0.47 0.79 -2.65 0.23 0.00 0.00 176.35 174.62 1a2k n PRO 210 N -1.55 -3.60 0.00 1.29 -0.02 -1.26 -5.08 135.00 124.78 1a2k n PRO 210 Ca 0.01 -1.05 0.00 0.00 -2.02 0.00 0.00 63.50 60.44 1a2k n PRO 210 Cb 0.59 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1a2k n PRO 210 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1a2k n ASP 211 N -4.74 0.00 -0.23 2.55 2.03 -1.26 -5.23 116.55 109.66 1a2k n ASP 211 Ca 0.08 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.54 1a2k n ASP 211 Cb 0.56 0.00 0.75 0.00 -0.72 0.00 0.00 41.12 41.70 1a2k n ASP 211 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66