#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng3 s THR 4 N 0.00 4.62 0.16 3.45 -4.23 -1.26 -4.80 115.64 113.58 3ng3 s THR 4 Ca 0.00 0.91 -0.24 0.00 -1.18 0.00 0.00 61.69 61.18 3ng3 s THR 4 Cb 0.00 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 70.08 3ng3 s THR 4 CO 0.00 -1.05 1.59 -0.09 -0.54 0.00 0.00 174.62 174.53 3ng3 h ARG 5 N -0.18 -0.26 -0.95 3.99 2.43 -1.96 0.42 114.38 117.88 3ng3 h ARG 5 Ca -0.44 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.79 3ng3 h ARG 5 Cb 1.19 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 3ng3 h ARG 5 CO 0.61 -0.18 0.62 0.00 -1.51 0.00 0.00 179.97 179.52 3ng3 h ALA 6 N 0.68 1.41 -0.39 2.80 0.00 -1.94 -1.25 119.26 120.58 3ng3 h ALA 6 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3ng3 h ALA 6 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ng3 h ALA 6 CO -0.54 0.48 -0.03 1.96 0.00 0.00 0.00 179.25 181.12 3ng3 h GLN 7 N 1.17 0.70 -0.59 0.00 4.20 -1.52 -2.39 115.11 116.68 3ng3 h GLN 7 Ca 0.39 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 3ng3 h GLN 7 Cb 0.07 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3ng3 h GLN 7 CO -0.13 0.82 -0.04 1.25 -0.67 0.00 0.00 178.83 180.06 3ng3 h LEU 8 N 0.52 1.06 -1.63 1.46 5.85 -0.08 -2.98 115.31 119.50 3ng3 h LEU 8 Ca 0.11 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3ng3 h LEU 8 Cb 0.52 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3ng3 h LEU 8 CO 0.03 1.13 0.07 0.00 -0.34 0.00 0.00 178.44 179.33 3ng3 h ALA 9 N 0.97 1.71 0.00 1.25 0.00 -1.11 -1.69 119.26 120.39 3ng3 h ALA 9 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ng3 h ALA 9 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ng3 h ALA 9 CO 0.04 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3ng3 n ALA 10 N -2.50 1.44 1.18 0.00 0.00 -0.91 -1.71 120.51 118.01 3ng3 n ALA 10 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3ng3 n ALA 10 Cb 0.13 -1.17 0.31 0.00 0.00 0.00 0.00 19.45 18.72 3ng3 n ALA 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ng3 n PHE 11 N -1.56 0.00 -4.14 0.00 3.72 -0.63 -4.37 117.46 110.48 3ng3 n PHE 11 Ca 0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.07 3ng3 n PHE 11 Cb 0.12 -0.12 -0.09 0.00 -0.94 0.00 0.00 39.48 38.44 3ng3 n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ng3 s VAL 12 N -2.57 4.68 -0.44 -4.37 1.01 -0.70 -0.40 120.40 117.60 3ng3 s VAL 12 Ca 0.22 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 3ng3 s VAL 12 Cb 0.19 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.58 3ng3 s VAL 12 CO 0.56 0.54 0.35 -1.81 0.00 0.00 0.00 175.10 174.74 3ng3 s ASP 13 N -0.32 6.12 -0.20 3.32 1.01 0.33 -1.30 116.67 125.64 3ng3 s ASP 13 Ca 0.08 -1.15 -0.26 0.00 0.71 0.00 0.00 52.55 51.93 3ng3 s ASP 13 Cb -0.12 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 3ng3 s ASP 13 CO 0.02 -0.56 0.90 -2.28 0.21 0.00 0.00 175.17 173.46 3ng3 s HIS 14 N 1.65 3.38 -0.00 4.23 2.46 -0.07 -2.15 115.29 124.80 3ng3 s HIS 14 Ca 0.04 1.31 0.06 0.00 0.47 0.00 0.00 55.06 56.94 3ng3 s HIS 14 Cb -0.22 -3.10 -0.02 0.00 -0.13 0.00 0.00 32.58 29.11 3ng3 s HIS 14 CO 0.08 -0.34 -0.19 0.99 -2.47 0.00 0.00 174.74 172.82 3ng3 s THR 15 N 2.56 1.49 -0.08 0.89 2.01 0.14 -0.86 115.64 121.78 3ng3 s THR 15 Ca 0.40 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 3ng3 s THR 15 Cb -0.16 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.14 3ng3 s THR 15 CO 0.10 0.35 0.11 -0.22 -0.69 0.00 0.00 174.62 174.27 3ng3 s LEU 16 N -0.62 0.08 -0.00 4.42 2.96 -0.69 -4.36 118.68 120.47 3ng3 s LEU 16 Ca 0.07 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3ng3 s LEU 16 Cb -0.07 0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.64 3ng3 s LEU 16 CO -0.00 -0.27 0.65 0.18 -1.32 0.00 0.00 176.35 175.60 3ng3 n LEU 17 N 5.31 0.58 -4.78 -0.68 4.77 -1.26 -3.93 117.00 117.01 3ng3 n LEU 17 Ca -0.04 -0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 54.93 3ng3 n LEU 17 Cb 0.50 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3ng3 n LEU 17 CO 0.06 0.15 1.08 -0.54 -1.33 0.00 0.00 177.39 176.81 3ng3 s LYS 18 N -0.30 4.16 0.59 3.23 1.02 -1.26 -4.88 119.74 122.30 3ng3 s LYS 18 Ca 0.00 2.44 0.29 0.00 0.02 0.00 0.00 55.97 58.72 3ng3 s LYS 18 Cb 0.00 -2.97 1.80 0.00 -0.52 0.00 0.00 37.83 36.14 3ng3 s LYS 18 CO 0.00 -0.44 2.25 -1.35 -0.92 0.00 0.00 175.35 174.90 3ng3 h PRO 19 N 3.07 0.00 -0.01 -1.68 0.11 -2.04 -1.78 132.00 129.67 3ng3 h PRO 19 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ng3 h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ng3 h PRO 19 CO 0.64 0.00 -0.06 -0.85 -0.21 0.00 0.00 178.00 177.53 3ng3 n GLU 20 N -3.88 1.38 -1.72 1.05 0.00 -1.26 -4.94 120.64 111.26 3ng3 n GLU 20 Ca -0.03 -0.73 -0.43 0.00 0.00 0.00 0.00 57.16 55.97 3ng3 n GLU 20 Cb 0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 31.44 30.02 3ng3 n GLU 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ng3 n ALA 21 N -0.17 2.10 -2.38 -1.84 0.00 -0.67 -5.01 120.51 112.54 3ng3 n ALA 21 Ca 0.18 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.80 3ng3 n ALA 21 Cb 0.33 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 3ng3 n ALA 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ng3 s THR 22 N 0.10 3.34 0.27 0.00 -4.23 -1.26 -5.01 115.64 108.85 3ng3 s THR 22 Ca 0.67 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3ng3 s THR 22 Cb -0.55 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 70.41 3ng3 s THR 22 CO 0.47 -0.11 1.83 0.00 -0.54 0.00 0.00 174.62 176.27 3ng3 h ALA 23 N 1.09 1.45 -0.50 3.99 0.00 -1.99 -1.12 119.26 122.18 3ng3 h ALA 23 Ca -0.44 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3ng3 h ALA 23 Cb 1.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3ng3 h ALA 23 CO 0.56 0.20 0.05 0.00 0.00 0.00 0.00 179.25 180.06 3ng3 h ALA 24 N 1.52 1.15 -0.70 0.00 0.00 -1.99 -0.05 119.26 119.19 3ng3 h ALA 24 Ca 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ng3 h ALA 24 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ng3 h ALA 24 CO -0.26 0.56 0.42 -0.44 0.00 0.00 0.00 179.25 179.53 3ng3 h ASP 25 N 0.76 0.84 -0.04 0.00 3.32 -1.64 -1.21 116.42 118.45 3ng3 h ASP 25 Ca 0.16 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3ng3 h ASP 25 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3ng3 h ASP 25 CO 0.01 0.65 -0.45 0.58 -1.72 0.00 0.00 179.24 178.31 3ng3 h VAL 26 N 0.95 1.31 -0.51 -1.35 2.07 -0.60 -0.92 116.25 117.20 3ng3 h VAL 26 Ca 0.25 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3ng3 h VAL 26 Cb -0.03 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3ng3 h VAL 26 CO -0.05 0.52 0.27 0.00 0.02 0.00 0.00 177.57 178.33 3ng3 h ALA 27 N 1.04 0.65 -0.44 1.67 0.00 -0.86 -1.75 119.26 119.58 3ng3 h ALA 27 Ca 0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3ng3 h ALA 27 Cb 0.97 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ng3 h ALA 27 CO 0.09 0.18 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 3ng3 h ALA 28 N 1.11 0.96 -0.50 0.00 0.00 -0.99 -2.11 119.26 117.73 3ng3 h ALA 28 Ca 0.18 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ng3 h ALA 28 Cb 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3ng3 h ALA 28 CO -0.03 0.61 0.15 1.25 0.00 0.00 0.00 179.25 181.24 3ng3 h LEU 29 N 0.72 0.12 -0.63 0.00 5.85 -0.91 -0.10 115.31 120.35 3ng3 h LEU 29 Ca 0.12 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3ng3 h LEU 29 Cb 0.61 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3ng3 h LEU 29 CO 0.04 0.09 0.09 0.58 -0.34 0.00 0.00 178.44 178.90 3ng3 h VAL 30 N 0.31 1.26 -0.44 1.05 2.07 -1.08 -0.28 116.25 119.15 3ng3 h VAL 30 Ca 0.25 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3ng3 h VAL 30 Cb 0.29 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3ng3 h VAL 30 CO -0.28 0.39 0.25 0.74 0.02 0.00 0.00 177.57 178.69 3ng3 h THR 31 N 0.97 1.15 -0.62 2.57 2.02 -1.03 -1.82 112.91 116.15 3ng3 h THR 31 Ca 0.19 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3ng3 h THR 31 Cb 0.46 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3ng3 h THR 31 CO 0.02 0.16 0.08 -0.08 0.37 0.00 0.00 175.52 176.07 3ng3 h GLU 32 N 0.58 1.02 -0.67 6.66 4.57 -0.76 -2.01 114.58 123.97 3ng3 h GLU 32 Ca 0.16 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 58.09 3ng3 h GLU 32 Cb 0.04 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 3ng3 h GLU 32 CO -0.03 0.95 0.42 0.00 -1.18 0.00 0.00 179.01 179.17 3ng3 h ALA 33 N 1.13 0.87 -0.46 2.92 0.00 -0.79 0.71 119.26 123.64 3ng3 h ALA 33 Ca 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3ng3 h ALA 33 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ng3 h ALA 33 CO 0.01 0.20 -0.11 0.00 0.00 0.00 0.00 179.25 179.35 3ng3 h ALA 34 N 1.28 0.64 -0.43 0.00 0.00 -1.01 -1.47 119.26 118.28 3ng3 h ALA 34 Ca 0.27 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3ng3 h ALA 34 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ng3 h ALA 34 CO -0.10 0.54 -0.06 1.49 0.00 0.00 0.00 179.25 181.13 3ng3 h GLU 35 N 0.74 0.73 0.00 0.00 4.81 -1.05 -3.01 114.58 116.80 3ng3 h GLU 35 Ca 0.12 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3ng3 h GLU 35 Cb 0.66 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3ng3 h GLU 35 CO 0.05 0.78 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.93 3ng3 h LEU 36 N 0.68 0.00 -0.09 1.64 3.38 -0.60 -3.48 115.31 116.84 3ng3 h LEU 36 Ca 0.13 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3ng3 h LEU 36 Cb 0.50 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.28 3ng3 h LEU 36 CO 0.03 0.02 -0.24 0.61 0.09 0.00 0.00 178.44 178.94 3ng3 n GLY 37 N 1.28 0.24 3.91 0.83 0.00 -0.58 -4.85 105.19 106.02 3ng3 n GLY 37 Ca 0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3ng3 n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ng3 s VAL 38 N -2.83 2.04 -0.02 1.61 -7.23 -1.09 -3.80 120.40 109.07 3ng3 s VAL 38 Ca 0.14 -0.05 -0.20 0.00 -1.81 0.00 0.00 61.98 60.05 3ng3 s VAL 38 Cb -0.06 -2.99 -0.30 0.00 0.56 0.00 0.00 36.38 33.59 3ng3 s VAL 38 CO 0.17 0.00 0.97 0.22 -0.31 0.00 0.00 175.10 176.15 3ng3 h TYR 39 N -1.12 0.64 -3.61 2.82 3.20 -1.13 -3.47 116.97 114.30 3ng3 h TYR 39 Ca -0.45 -0.43 -0.06 0.00 3.14 0.00 0.00 58.73 60.93 3ng3 h TYR 39 Cb 1.30 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 39.44 3ng3 h TYR 39 CO -0.04 1.31 -0.12 0.00 -1.64 0.00 0.00 178.16 177.66 3ng3 s ALA 40 N -2.67 -0.36 0.01 1.82 0.00 -1.08 -4.65 121.76 114.84 3ng3 s ALA 40 Ca -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3ng3 s ALA 40 Cb 0.02 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.08 3ng3 s ALA 40 CO 0.85 -0.80 0.09 0.14 0.00 0.00 0.00 175.76 176.03 3ng3 s VAL 41 N -3.97 4.74 -0.16 0.00 -7.23 -0.35 -0.89 120.40 112.54 3ng3 s VAL 41 Ca 0.18 -0.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.91 3ng3 s VAL 41 Cb -0.00 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.76 3ng3 s VAL 41 CO 0.04 0.30 -0.20 0.00 -0.31 0.00 0.00 175.10 174.94 3ng3 s VAL 43 N 1.15 0.66 0.52 0.00 -7.23 -0.60 -1.70 120.40 113.19 3ng3 s VAL 43 Ca 0.01 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.01 3ng3 s VAL 43 Cb -0.14 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.12 3ng3 s VAL 43 CO -0.09 0.00 0.99 -0.44 -0.31 0.00 0.00 175.10 175.25 3ng3 s SER 44 N -3.41 6.58 0.26 4.85 0.01 -1.25 -3.23 113.70 117.50 3ng3 s SER 44 Ca 0.35 1.59 -0.03 0.00 1.31 0.00 0.00 55.95 59.17 3ng3 s SER 44 Cb 0.07 -2.51 0.46 0.00 0.21 0.00 0.00 66.02 64.24 3ng3 s SER 44 CO 0.15 -0.62 1.80 -0.65 0.41 0.00 0.00 173.24 174.33 3ng3 h PRO 45 N 0.92 0.75 0.00 12.44 0.11 -1.96 0.11 132.00 144.37 3ng3 h PRO 45 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ng3 h PRO 45 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ng3 h PRO 45 CO 0.61 0.50 0.00 -0.35 -0.21 0.00 0.00 178.00 178.55 3ng3 n PRO 46 N -4.76 0.24 -0.04 1.05 -0.04 -1.26 -2.50 135.00 127.69 3ng3 n PRO 46 Ca 0.15 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 3ng3 n PRO 46 Cb 0.33 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.68 3ng3 n PRO 46 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ng3 n MET 47 N -1.34 1.87 -0.14 0.54 2.81 0.38 -4.49 117.12 116.75 3ng3 n MET 47 Ca 0.09 -1.28 -0.09 0.00 -1.81 0.00 0.00 57.70 54.62 3ng3 n MET 47 Cb 0.20 -1.46 -0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3ng3 n MET 47 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ng3 h VAL 48 N 2.90 1.19 -0.39 2.03 2.07 -1.52 -1.70 116.25 120.83 3ng3 h VAL 48 Ca 0.00 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.03 3ng3 h VAL 48 Cb 0.62 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3ng3 h VAL 48 CO 0.00 0.21 -0.13 -0.65 0.02 0.00 0.00 177.57 177.02 3ng3 h PRO 49 N 0.54 -0.05 -1.00 1.57 0.11 -1.79 0.81 132.00 132.20 3ng3 h PRO 49 Ca 0.14 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.33 3ng3 h PRO 49 Cb 0.16 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.21 3ng3 h PRO 49 CO -0.01 -0.03 0.64 0.00 -0.21 0.00 0.00 178.00 178.38 3ng3 h ALA 50 N 1.30 1.41 -0.05 -0.75 0.00 -1.83 0.17 119.26 119.51 3ng3 h ALA 50 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ng3 h ALA 50 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ng3 h ALA 50 CO -0.43 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.16 3ng3 h ALA 51 N 1.47 0.07 -0.54 0.00 0.00 -0.62 -2.10 119.26 117.54 3ng3 h ALA 51 Ca 0.44 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3ng3 h ALA 51 Cb 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3ng3 h ALA 51 CO -0.19 -0.12 0.30 0.28 0.00 0.00 0.00 179.25 179.52 3ng3 h VAL 52 N -0.34 1.00 0.00 0.00 2.07 -0.45 -2.54 116.25 115.99 3ng3 h VAL 52 Ca 0.01 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3ng3 h VAL 52 Cb 0.58 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3ng3 h VAL 52 CO 0.01 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.71 3ng3 n GLN 53 N -4.83 0.19 0.00 1.57 6.02 0.55 -3.43 117.38 117.45 3ng3 n GLN 53 Ca 0.05 0.40 0.14 0.00 -0.01 0.00 0.00 57.00 57.58 3ng3 n GLN 53 Cb 0.11 -1.85 0.62 0.00 1.02 0.00 0.00 30.24 30.15 3ng3 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ng3 n ALA 54 N -1.76 2.74 -3.50 -1.58 0.00 -0.79 -4.92 120.51 110.71 3ng3 n ALA 54 Ca 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 3ng3 n ALA 54 Cb 0.24 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.36 3ng3 n ALA 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ng3 s GLY 55 N -2.45 0.82 -0.22 0.00 0.00 -1.22 -4.81 107.32 99.43 3ng3 s GLY 55 Ca 0.30 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 43.86 3ng3 s GLY 55 CO 0.47 -0.57 0.11 0.00 0.00 0.00 0.00 173.10 173.11 3ng3 s ALA 56 N -2.38 3.46 -1.34 3.20 0.00 -1.26 -4.60 121.76 118.83 3ng3 s ALA 56 Ca 0.21 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 3ng3 s ALA 56 Cb -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3ng3 s ALA 56 CO 0.15 -0.13 0.24 0.41 0.00 0.00 0.00 175.76 176.44 3ng3 n GLY 57 N 4.16 -0.30 3.69 0.00 0.00 -1.26 -4.95 105.19 106.53 3ng3 n GLY 57 Ca -0.16 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3ng3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ng3 s VAL 58 N -2.94 3.06 -0.36 1.61 1.01 -1.26 -4.97 120.40 116.55 3ng3 s VAL 58 Ca 0.12 0.52 -0.27 0.00 0.00 0.00 0.00 61.98 62.34 3ng3 s VAL 58 Cb -0.05 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3ng3 s VAL 58 CO 0.15 -0.00 1.01 -0.60 0.00 0.00 0.00 175.10 175.66 3ng3 s ARG 59 N 2.60 3.92 -0.15 2.72 3.52 -1.26 -4.94 118.95 125.37 3ng3 s ARG 59 Ca 0.73 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 3ng3 s ARG 59 Cb -0.39 -3.79 -0.00 0.00 -1.56 0.00 0.00 34.95 29.21 3ng3 s ARG 59 CO 0.32 -0.97 -0.15 0.08 -0.81 0.00 0.00 175.30 173.76 3ng3 s VAL 60 N 3.65 2.69 -0.08 7.11 1.01 -1.26 -1.21 120.40 132.30 3ng3 s VAL 60 Ca 0.42 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3ng3 s VAL 60 Cb -0.12 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3ng3 s VAL 60 CO 0.19 0.52 0.04 0.00 0.00 0.00 0.00 175.10 175.85 3ng3 s ALA 61 N 0.70 3.46 0.29 5.51 0.00 0.29 -0.27 121.76 131.74 3ng3 s ALA 61 Ca -0.07 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.18 3ng3 s ALA 61 Cb -0.16 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 3ng3 s ALA 61 CO 0.02 0.61 -0.09 0.45 0.00 0.00 0.00 175.76 176.75 3ng3 s SER 62 N -1.09 3.05 0.24 0.00 0.15 -0.53 -1.56 113.70 113.96 3ng3 s SER 62 Ca 0.16 -1.16 0.04 0.00 0.70 0.00 0.00 55.95 55.69 3ng3 s SER 62 Cb -0.12 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 3ng3 s SER 62 CO 0.05 -0.25 0.38 0.68 1.20 0.00 0.00 173.24 175.29 3ng3 s VAL 63 N -2.86 5.25 -0.01 4.45 -7.23 -1.20 -0.39 120.40 118.41 3ng3 s VAL 63 Ca 0.29 -0.85 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3ng3 s VAL 63 Cb 0.02 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.12 3ng3 s VAL 63 CO 0.13 -0.32 0.01 0.00 -0.31 0.00 0.00 175.10 174.61 3ng3 s ALA 64 N -1.99 -0.03 -1.48 1.32 0.00 -0.43 -4.41 121.76 114.74 3ng3 s ALA 64 Ca 0.35 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 3ng3 s ALA 64 Cb -0.09 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3ng3 s ALA 64 CO 0.30 -0.01 0.80 0.41 0.00 0.00 0.00 175.76 177.26 3ng3 n GLY 65 N 3.12 -0.53 3.38 0.00 0.00 -1.26 -1.94 105.19 107.96 3ng3 n GLY 65 Ca -0.13 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3ng3 n GLY 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ng3 s PHE 66 N -3.21 2.48 -1.50 1.61 5.36 -1.26 -1.43 117.98 120.04 3ng3 s PHE 66 Ca 0.43 -0.32 0.24 0.00 -0.96 0.00 0.00 56.93 56.32 3ng3 s PHE 66 Cb -0.20 -1.55 0.35 0.00 -0.34 0.00 0.00 43.02 41.29 3ng3 s PHE 66 CO 0.53 0.07 1.30 -0.35 -1.46 0.00 0.00 175.22 175.31 3ng3 n PRO 67 N 2.33 0.56 0.12 10.12 -0.04 -1.26 -4.92 135.00 141.92 3ng3 n PRO 67 Ca -0.16 -0.40 0.01 0.00 -0.04 0.00 0.00 63.50 62.91 3ng3 n PRO 67 Cb 0.52 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3ng3 n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ng3 h SER 68 N 0.97 0.00 0.00 3.54 4.64 -1.95 -3.47 113.55 117.27 3ng3 h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ng3 h SER 68 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3ng3 h SER 68 CO 0.00 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 3ng3 n GLY 69 N 1.25 1.94 2.85 -0.77 0.00 -0.52 -4.65 105.19 105.30 3ng3 n GLY 69 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3ng3 n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ng3 n LYS 70 N -2.00 4.21 -4.09 1.61 4.76 -1.26 -3.72 118.16 117.67 3ng3 n LYS 70 Ca 0.00 -4.00 -0.14 0.00 -2.87 0.00 0.00 58.31 51.30 3ng3 n LYS 70 Cb 0.00 -2.70 -0.13 0.00 -1.84 0.00 0.00 35.03 30.36 3ng3 n LYS 70 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3ng3 s HIS 71 N -1.38 0.54 0.62 2.13 3.76 -1.26 -5.11 115.29 114.58 3ng3 s HIS 71 Ca 0.38 -0.30 -0.18 0.00 -0.15 0.00 0.00 55.06 54.81 3ng3 s HIS 71 Cb 0.10 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 3ng3 s HIS 71 CO 0.02 -0.05 1.21 0.14 -0.85 0.00 0.00 174.74 175.21 3ng3 s VAL 72 N -0.77 2.60 0.28 -0.90 -7.23 -1.26 -4.79 120.40 108.34 3ng3 s VAL 72 Ca -0.04 0.36 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 3ng3 s VAL 72 Cb -0.06 -3.09 0.28 0.00 0.56 0.00 0.00 36.38 34.07 3ng3 s VAL 72 CO 0.00 -0.10 1.84 0.28 -0.31 0.00 0.00 175.10 176.81 3ng3 h SER 73 N 0.68 0.93 -0.24 4.85 0.02 -1.97 -0.75 113.55 117.07 3ng3 h SER 73 Ca -0.50 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 3ng3 h SER 73 Cb 1.30 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3ng3 h SER 73 CO 0.54 0.50 0.16 0.00 -1.14 0.00 0.00 176.83 176.89 3ng3 h ALA 74 N 1.54 1.86 -0.02 3.77 0.00 -1.95 -0.20 119.26 124.26 3ng3 h ALA 74 Ca 0.50 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.20 3ng3 h ALA 74 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ng3 h ALA 74 CO -0.26 0.12 -0.72 0.28 0.00 0.00 0.00 179.25 178.67 3ng3 h VAL 75 N 0.30 1.38 -0.69 0.00 2.07 -1.50 -1.06 116.25 116.74 3ng3 h VAL 75 Ca 0.09 -2.10 -0.03 0.00 0.82 0.00 0.00 66.70 65.49 3ng3 h VAL 75 Cb 0.01 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3ng3 h VAL 75 CO -0.02 0.63 0.32 0.11 0.02 0.00 0.00 177.57 178.63 3ng3 h LYS 76 N 0.08 1.01 -0.31 1.57 1.57 -1.02 -1.97 116.57 117.50 3ng3 h LYS 76 Ca -0.09 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 3ng3 h LYS 76 Cb 1.41 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3ng3 h LYS 76 CO 0.14 0.81 0.09 0.00 -0.57 0.00 0.00 179.45 179.92 3ng3 h ALA 77 N 1.15 0.41 -0.49 3.86 0.00 -1.06 -0.82 119.26 122.31 3ng3 h ALA 77 Ca 0.24 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ng3 h ALA 77 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ng3 h ALA 77 CO -0.03 0.05 0.29 1.25 0.00 0.00 0.00 179.25 180.82 3ng3 h HIS 78 N 0.34 0.55 0.14 0.00 -0.00 -1.04 0.76 115.15 115.90 3ng3 h HIS 78 Ca 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3ng3 h HIS 78 Cb 0.26 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3ng3 h HIS 78 CO 0.01 0.32 -0.07 1.49 -0.00 0.00 0.00 177.93 179.68 3ng3 h GLU 79 N 0.59 -0.18 -0.48 5.26 4.81 -1.20 -1.05 114.58 122.33 3ng3 h GLU 79 Ca 0.19 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 3ng3 h GLU 79 Cb 0.01 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3ng3 h GLU 79 CO -0.09 -0.10 0.21 0.00 -0.73 0.00 0.00 179.01 178.30 3ng3 h ALA 80 N 0.64 0.59 -0.52 2.92 0.00 -0.91 -1.70 119.26 120.29 3ng3 h ALA 80 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ng3 h ALA 80 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3ng3 h ALA 80 CO 0.03 -0.17 0.27 0.00 0.00 0.00 0.00 179.25 179.38 3ng3 h ALA 81 N 1.29 0.67 -0.93 0.00 0.00 -0.66 -0.69 119.26 118.94 3ng3 h ALA 81 Ca 0.22 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ng3 h ALA 81 Cb 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3ng3 h ALA 81 CO -0.19 0.22 0.62 -0.07 0.00 0.00 0.00 179.25 179.82 3ng3 h LEU 82 N 0.70 1.07 -0.10 0.00 3.38 -0.99 0.46 115.31 119.82 3ng3 h LEU 82 Ca 0.18 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ng3 h LEU 82 Cb 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3ng3 h LEU 82 CO -0.03 0.77 0.04 0.00 0.09 0.00 0.00 178.44 179.32 3ng3 h ALA 83 N 1.42 0.12 -0.73 1.53 0.00 -0.82 -0.21 119.26 120.58 3ng3 h ALA 83 Ca 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3ng3 h ALA 83 Cb -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3ng3 h ALA 83 CO -0.07 -0.30 0.48 0.28 0.00 0.00 0.00 179.25 179.64 3ng3 h VAL 84 N 0.01 1.19 -0.01 0.00 2.07 -0.93 -1.20 116.25 117.37 3ng3 h VAL 84 Ca 0.03 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3ng3 h VAL 84 Cb 0.15 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3ng3 h VAL 84 CO -0.00 0.18 -0.11 0.00 0.02 0.00 0.00 177.57 177.66 3ng3 h ALA 85 N 1.26 1.81 -0.01 1.67 0.00 -0.76 -1.02 119.26 122.21 3ng3 h ALA 85 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ng3 h ALA 85 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ng3 h ALA 85 CO -0.06 0.14 -0.05 0.43 0.00 0.00 0.00 179.25 179.72 3ng3 n SER 86 N -4.41 0.99 0.00 0.00 7.64 -0.10 -4.92 113.62 112.82 3ng3 n SER 86 Ca -0.03 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.66 3ng3 n SER 86 Cb 0.18 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3ng3 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ng3 n GLY 87 N 1.17 1.15 3.73 0.23 0.00 -0.39 -4.52 105.19 106.56 3ng3 n GLY 87 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3ng3 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 88 N -2.00 3.54 -0.18 4.61 0.00 -0.58 -4.70 121.76 122.46 3ng3 s ALA 88 Ca 0.00 1.10 0.19 0.00 0.00 0.00 0.00 51.96 53.25 3ng3 s ALA 88 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 3ng3 s ALA 88 CO 0.00 -0.56 0.96 0.00 0.00 0.00 0.00 175.76 176.15 3ng3 h ALA 89 N 5.98 0.60 -2.54 0.00 0.00 -0.98 -3.40 119.26 118.93 3ng3 h ALA 89 Ca -0.44 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 53.87 3ng3 h ALA 89 Cb 1.21 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.98 3ng3 h ALA 89 CO 0.81 0.52 -0.57 -1.21 0.00 0.00 0.00 179.25 178.80 3ng3 s GLU 90 N -3.11 0.58 -0.06 0.00 2.02 -1.16 -2.04 118.70 114.94 3ng3 s GLU 90 Ca -0.01 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.11 3ng3 s GLU 90 Cb 0.09 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.56 3ng3 s GLU 90 CO 0.80 -0.14 -0.04 0.42 0.02 0.00 0.00 175.26 176.32 3ng3 s ILE 91 N -2.92 0.58 -0.47 -1.63 -1.09 0.53 -1.45 121.20 114.76 3ng3 s ILE 91 Ca -0.02 -0.11 -0.09 0.00 -2.23 0.00 0.00 60.65 58.19 3ng3 s ILE 91 Cb 0.01 -0.62 0.11 0.00 -1.58 0.00 0.00 42.46 40.38 3ng3 s ILE 91 CO -0.06 0.25 0.34 -1.81 -1.23 0.00 0.00 174.94 172.43 3ng3 s ASP 92 N 1.15 5.72 0.36 3.58 1.11 0.48 -0.34 116.67 128.73 3ng3 s ASP 92 Ca -0.07 -1.86 -0.03 0.00 0.18 0.00 0.00 52.55 50.78 3ng3 s ASP 92 Cb -0.14 -2.02 -0.04 0.00 1.07 0.00 0.00 42.92 41.79 3ng3 s ASP 92 CO -0.01 -0.68 0.60 0.00 1.18 0.00 0.00 175.17 176.26 3ng3 s MET 93 N 1.38 3.55 -0.13 8.23 0.23 -0.04 -1.32 119.30 131.20 3ng3 s MET 93 Ca 0.05 -0.11 -0.03 0.00 -1.03 0.00 0.00 55.69 54.58 3ng3 s MET 93 Cb -0.26 -2.60 -0.03 0.00 -1.53 0.00 0.00 34.83 30.41 3ng3 s MET 93 CO -0.00 0.10 -0.03 0.08 -2.03 0.00 0.00 175.02 173.13 3ng3 s VAL 94 N -2.33 3.96 0.83 5.16 1.01 -0.82 -0.37 120.40 127.85 3ng3 s VAL 94 Ca 0.43 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 3ng3 s VAL 94 Cb -0.10 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.66 3ng3 s VAL 94 CO 0.36 0.53 1.09 0.27 0.00 0.00 0.00 175.10 177.35 3ng3 s ILE 95 N -0.02 3.02 -0.64 2.22 -4.36 -1.08 -4.56 121.20 115.78 3ng3 s ILE 95 Ca 0.01 0.33 -0.27 0.00 -0.26 0.00 0.00 60.65 60.46 3ng3 s ILE 95 Cb -0.13 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.78 3ng3 s ILE 95 CO 0.02 -0.43 1.40 -0.62 0.24 0.00 0.00 174.94 175.55 3ng3 s ASP 96 N -3.41 6.07 0.14 4.36 -1.08 -1.24 -4.24 116.67 117.27 3ng3 s ASP 96 Ca 0.62 -0.01 -0.14 0.00 -0.52 0.00 0.00 52.55 52.51 3ng3 s ASP 96 Cb -0.17 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.74 3ng3 s ASP 96 CO 0.56 -1.82 1.62 0.58 0.52 0.00 0.00 175.17 176.64 3ng3 h VAL 97 N 6.29 1.25 -0.87 1.11 2.07 -1.85 -2.14 116.25 122.10 3ng3 h VAL 97 Ca -0.27 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.43 3ng3 h VAL 97 Cb 1.08 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 3ng3 h VAL 97 CO 1.22 0.32 0.56 1.23 0.02 0.00 0.00 177.57 180.93 3ng3 h GLY 98 N 0.63 1.23 1.01 2.17 0.00 -1.94 -1.52 103.07 104.64 3ng3 h GLY 98 Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3ng3 h GLY 98 CO 0.01 0.19 0.39 0.00 0.00 0.00 0.00 176.54 177.13 3ng3 h ALA 99 N 1.57 0.76 -0.56 3.60 0.00 -1.78 -0.92 119.26 121.92 3ng3 h ALA 99 Ca 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3ng3 h ALA 99 Cb 0.44 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ng3 h ALA 99 CO -0.17 0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.57 3ng3 h ALA 100 N 1.22 0.72 -0.13 0.00 0.00 -0.86 -1.66 119.26 118.54 3ng3 h ALA 100 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ng3 h ALA 100 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3ng3 h ALA 100 CO -0.05 0.26 -0.44 -0.07 0.00 0.00 0.00 179.25 178.96 3ng3 h LEU 101 N 0.76 0.33 0.00 0.00 3.38 -1.14 -1.68 115.31 116.96 3ng3 h LEU 101 Ca 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ng3 h LEU 101 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ng3 h LEU 101 CO -0.03 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.23 3ng3 n ALA 102 N -2.48 1.68 -0.63 1.53 0.00 -0.37 -4.89 120.51 115.36 3ng3 n ALA 102 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ng3 n ALA 102 Cb 0.51 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3ng3 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 103 N 0.02 0.67 2.79 0.00 0.00 -0.63 -4.99 105.19 103.04 3ng3 n GLY 103 Ca 0.04 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3ng3 n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ng3 n ASP 104 N 0.32 5.10 0.08 1.61 2.03 -0.64 -4.72 116.55 120.33 3ng3 n ASP 104 Ca 0.00 -3.03 -0.03 0.00 0.52 0.00 0.00 54.79 52.24 3ng3 n ASP 104 Cb 0.00 -1.52 0.19 0.00 -0.72 0.00 0.00 41.12 39.07 3ng3 n ASP 104 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ng3 h LEU 105 N 8.19 0.30 -0.66 -2.67 -0.00 -1.89 -1.89 115.31 116.68 3ng3 h LEU 105 Ca 0.47 -0.13 0.07 0.00 -0.00 0.00 0.00 57.88 58.29 3ng3 h LEU 105 Cb 0.60 -0.08 -0.06 0.00 -0.00 0.00 0.00 40.66 41.11 3ng3 h LEU 105 CO 1.69 0.71 0.34 -0.78 -0.00 0.00 0.00 178.44 180.40 3ng3 h ASP 106 N 0.23 0.48 -0.48 -0.43 3.58 -1.98 0.65 116.42 118.48 3ng3 h ASP 106 Ca 0.02 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 3ng3 h ASP 106 Cb 0.89 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 3ng3 h ASP 106 CO 0.07 0.30 -0.11 1.23 -2.88 0.00 0.00 179.24 177.85 3ng3 h GLY 107 N 0.62 1.00 0.87 -0.78 0.00 -1.76 0.88 103.07 103.89 3ng3 h GLY 107 Ca 0.31 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3ng3 h GLY 107 CO -0.22 0.75 -0.00 -2.08 0.00 0.00 0.00 176.54 174.99 3ng3 h VAL 108 N 0.77 1.09 -0.74 4.60 2.07 -1.06 -0.79 116.25 122.19 3ng3 h VAL 108 Ca 0.12 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3ng3 h VAL 108 Cb 0.66 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3ng3 h VAL 108 CO 0.05 0.08 0.42 -0.09 0.02 0.00 0.00 177.57 178.05 3ng3 h ARG 109 N -0.14 0.72 -0.09 1.57 1.12 -0.63 -1.81 114.38 115.12 3ng3 h ARG 109 Ca -0.00 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 58.72 3ng3 h ARG 109 Cb 0.14 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 3ng3 h ARG 109 CO 0.00 0.48 -0.41 0.00 -3.11 0.00 0.00 179.97 176.93 3ng3 h ALA 110 N 1.40 1.13 -0.37 2.80 0.00 -0.65 -0.27 119.26 123.29 3ng3 h ALA 110 Ca 0.34 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ng3 h ALA 110 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ng3 h ALA 110 CO -0.21 0.58 -0.04 0.22 0.00 0.00 0.00 179.25 179.81 3ng3 h ASP 111 N 0.17 0.67 -0.33 0.00 3.58 -0.44 -0.52 116.42 119.56 3ng3 h ASP 111 Ca 0.02 -0.33 -0.14 0.00 0.42 0.00 0.00 57.03 56.99 3ng3 h ASP 111 Cb 0.81 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 3ng3 h ASP 111 CO 0.06 0.85 -0.31 0.40 -2.88 0.00 0.00 179.24 177.36 3ng3 h ILE 112 N 0.49 1.28 -0.33 2.25 2.04 -1.24 -2.95 117.51 119.05 3ng3 h ILE 112 Ca 0.10 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.43 3ng3 h ILE 112 Cb 0.52 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3ng3 h ILE 112 CO 0.03 0.49 -0.07 0.00 0.00 0.00 0.00 178.15 178.60 3ng3 h ALA 113 N 0.93 1.27 -0.26 1.87 0.00 -0.81 -0.27 119.26 121.99 3ng3 h ALA 113 Ca 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ng3 h ALA 113 Cb 0.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ng3 h ALA 113 CO 0.08 0.48 0.15 0.00 0.00 0.00 0.00 179.25 179.96 3ng3 h ALA 114 N 1.43 0.33 -0.51 0.00 0.00 -0.96 -0.46 119.26 119.09 3ng3 h ALA 114 Ca 0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3ng3 h ALA 114 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ng3 h ALA 114 CO 0.02 -0.15 -0.11 0.28 0.00 0.00 0.00 179.25 179.28 3ng3 h VAL 115 N 0.31 1.27 -0.62 0.00 2.07 -1.35 -2.65 116.25 115.28 3ng3 h VAL 115 Ca 0.09 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.44 3ng3 h VAL 115 Cb 0.04 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3ng3 h VAL 115 CO -0.02 0.44 0.26 -0.09 0.02 0.00 0.00 177.57 178.18 3ng3 h ARG 116 N 0.83 0.45 0.00 1.57 9.65 -0.82 -1.43 114.38 124.64 3ng3 h ARG 116 Ca 0.13 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3ng3 h ARG 116 Cb 0.67 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3ng3 h ARG 116 CO 0.05 0.30 -0.07 0.78 2.80 0.00 0.00 179.97 183.83 3ng3 h GLY 117 N 0.47 0.00 1.19 2.80 0.00 -0.93 -3.23 103.07 103.37 3ng3 h GLY 117 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.48 3ng3 h GLY 117 CO -0.27 0.00 -1.22 0.00 0.00 0.00 0.00 176.54 175.04 3ng3 h ALA 118 N 1.93 0.65 -2.10 3.60 0.00 -0.92 -3.39 119.26 119.02 3ng3 h ALA 118 Ca -0.00 -0.75 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 3ng3 h ALA 118 Cb 0.54 0.20 -0.41 0.00 0.00 0.00 0.00 17.79 18.12 3ng3 h ALA 118 CO 0.01 0.84 -0.86 1.33 0.00 0.00 0.00 179.25 180.57 3ng3 n VAL 119 N -2.95 0.92 0.17 0.00 0.24 -0.92 -4.62 118.33 111.18 3ng3 n VAL 119 Ca -0.07 -4.68 0.06 0.00 -2.04 0.00 0.00 64.34 57.61 3ng3 n VAL 119 Cb 0.81 -1.88 0.17 0.00 -1.47 0.00 0.00 33.84 31.48 3ng3 n VAL 119 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ng3 h GLY 120 N 3.95 0.00 1.78 7.63 0.00 -1.77 -2.78 103.07 111.88 3ng3 h GLY 120 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.28 3ng3 h GLY 120 CO 0.65 0.00 -0.81 -1.33 0.00 0.00 0.00 176.54 175.05 3ng3 h GLY 121 N 3.14 0.23 -1.48 4.60 0.00 -1.93 -3.48 103.07 104.14 3ng3 h GLY 121 Ca -0.00 -0.37 -0.51 0.00 0.00 0.00 0.00 47.33 46.45 3ng3 h GLY 121 CO 0.05 0.33 0.34 0.00 0.00 0.00 0.00 176.54 177.26 3ng3 s ALA 122 N -3.34 2.36 -0.08 3.60 0.00 -1.05 -5.00 121.76 118.25 3ng3 s ALA 122 Ca -0.03 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 3ng3 s ALA 122 Cb 0.11 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3ng3 s ALA 122 CO 0.82 -1.54 1.09 0.08 0.00 0.00 0.00 175.76 176.21 3ng3 s VAL 123 N -2.66 4.56 -0.20 0.00 1.01 -0.86 -4.94 120.40 117.30 3ng3 s VAL 123 Ca 0.64 1.85 -0.04 0.00 0.00 0.00 0.00 61.98 64.43 3ng3 s VAL 123 Cb -0.19 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 3ng3 s VAL 123 CO 0.50 0.00 -0.04 -0.22 0.00 0.00 0.00 175.10 175.34 3ng3 s LEU 124 N 2.08 3.00 -0.07 3.92 2.96 -1.26 -0.35 118.68 128.97 3ng3 s LEU 124 Ca 0.52 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3ng3 s LEU 124 Cb -0.21 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3ng3 s LEU 124 CO 0.20 0.04 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.61 3ng3 s LYS 125 N 1.14 2.77 -0.27 1.98 1.02 0.54 -0.65 119.74 126.28 3ng3 s LYS 125 Ca 0.02 -0.65 -0.04 0.00 0.02 0.00 0.00 55.97 55.32 3ng3 s LYS 125 Cb -0.15 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3ng3 s LYS 125 CO -0.00 0.55 0.01 0.08 -0.92 0.00 0.00 175.35 175.07 3ng3 s VAL 126 N -0.52 3.49 -0.30 3.17 1.01 -0.23 -0.86 120.40 126.15 3ng3 s VAL 126 Ca 0.07 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 3ng3 s VAL 126 Cb -0.12 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3ng3 s VAL 126 CO 0.02 0.18 1.10 -0.63 0.00 0.00 0.00 175.10 175.77 3ng3 s ILE 127 N 1.44 4.49 -1.56 2.22 1.01 0.50 -0.44 121.20 128.86 3ng3 s ILE 127 Ca 0.02 1.72 0.24 0.00 0.00 0.00 0.00 60.65 62.63 3ng3 s ILE 127 Cb -0.16 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 37.94 3ng3 s ILE 127 CO -0.01 -0.44 1.22 1.33 0.00 0.00 0.00 174.94 177.04 3ng3 n VAL 128 N 5.83 0.00 -3.65 2.92 0.24 -0.27 -2.64 118.33 120.77 3ng3 n VAL 128 Ca 0.12 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 3ng3 n VAL 128 Cb 0.47 0.82 0.03 0.00 -1.47 0.00 0.00 33.84 33.69 3ng3 n VAL 128 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3ng3 n GLU 129 N -0.76 -1.22 -0.13 7.34 4.07 -0.48 -4.68 120.64 124.78 3ng3 n GLU 129 Ca 0.08 0.58 0.09 0.00 -0.06 0.00 0.00 57.16 57.84 3ng3 n GLU 129 Cb 0.38 -4.01 0.42 0.00 -0.06 0.00 0.00 31.44 28.17 3ng3 n GLU 129 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3ng3 h SER 130 N -1.52 0.53 0.53 4.31 4.64 -1.18 -1.01 113.55 119.85 3ng3 h SER 130 Ca -0.60 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.66 3ng3 h SER 130 Cb 1.33 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3ng3 h SER 130 CO 0.45 0.33 -0.32 0.77 -0.87 0.00 0.00 176.83 177.19 3ng3 h SER 131 N 0.60 0.00 0.18 4.97 4.64 -1.80 0.14 113.55 122.27 3ng3 h SER 131 Ca 0.29 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.37 3ng3 h SER 131 Cb 0.37 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.49 3ng3 h SER 131 CO -0.09 0.32 -1.05 0.00 -0.87 0.00 0.00 176.83 175.14 3ng3 h ALA 132 N 1.68 -0.10 -0.79 5.18 0.00 -1.55 -2.42 119.26 121.26 3ng3 h ALA 132 Ca -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 3ng3 h ALA 132 Cb 0.68 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3ng3 h ALA 132 CO 0.04 0.49 0.32 -0.07 0.00 0.00 0.00 179.25 180.04 3ng3 h LEU 133 N -0.21 1.09 -0.22 0.00 3.38 -1.09 -1.75 115.31 116.51 3ng3 h LEU 133 Ca -0.19 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.40 3ng3 h LEU 133 Cb 1.82 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 3ng3 h LEU 133 CO 0.19 0.96 -0.92 -0.07 0.09 0.00 0.00 178.44 178.69 3ng3 h LEU 134 N 1.15 0.36 -0.47 1.67 3.38 -1.05 -0.59 115.31 119.76 3ng3 h LEU 134 Ca 0.27 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3ng3 h LEU 134 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ng3 h LEU 134 CO -0.02 1.11 -0.75 0.00 0.09 0.00 0.00 178.44 178.87 3ng3 h ALA 135 N 0.87 0.70 0.00 1.53 0.00 -1.37 -3.37 119.26 117.62 3ng3 h ALA 135 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3ng3 h ALA 135 Cb 1.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3ng3 h ALA 135 CO 0.15 0.85 -1.42 1.28 0.00 0.00 0.00 179.25 180.11 3ng3 n LEU 136 N -3.74 0.22 0.00 0.00 4.77 -0.67 -4.98 117.00 112.61 3ng3 n LEU 136 Ca -0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3ng3 n LEU 136 Cb 0.72 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3ng3 n LEU 136 CO 0.46 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.57 3ng3 n ALA 137 N -1.84 0.00 -3.75 -1.18 0.00 -0.24 -5.07 120.51 108.43 3ng3 n ALA 137 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 3ng3 n ALA 137 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.82 3ng3 n ALA 137 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ng3 s ASP 138 N 1.00 -0.01 0.24 0.00 1.47 -1.15 -4.86 116.67 113.36 3ng3 s ASP 138 Ca 0.00 -1.03 -0.06 0.00 1.18 0.00 0.00 52.55 52.64 3ng3 s ASP 138 Cb 0.00 0.81 0.31 0.00 -0.34 0.00 0.00 42.92 43.70 3ng3 s ASP 138 CO 0.00 -1.57 1.87 -0.33 0.68 0.00 0.00 175.17 175.81 3ng3 h GLU 139 N 2.01 1.02 -0.89 2.11 5.08 -1.88 -1.81 114.58 120.23 3ng3 h GLU 139 Ca -0.29 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.10 3ng3 h GLU 139 Cb 1.25 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 3ng3 h GLU 139 CO 0.36 0.68 0.58 1.25 -1.00 0.00 0.00 179.01 180.87 3ng3 h HIS 140 N 1.05 0.98 -0.57 4.33 2.76 -1.97 -1.82 115.15 119.91 3ng3 h HIS 140 Ca 0.37 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.46 3ng3 h HIS 140 Cb 0.10 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 3ng3 h HIS 140 CO -0.02 0.47 -0.05 1.15 -1.30 0.00 0.00 177.93 178.17 3ng3 h THR 141 N 0.92 1.27 -0.70 6.26 2.02 -1.71 -2.11 112.91 118.85 3ng3 h THR 141 Ca 0.41 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.41 3ng3 h THR 141 Cb 0.35 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3ng3 h THR 141 CO -0.17 0.43 0.44 0.25 0.37 0.00 0.00 175.52 176.84 3ng3 h LEU 142 N 0.92 0.73 -0.60 2.58 5.85 -1.15 -2.30 115.31 121.34 3ng3 h LEU 142 Ca 0.15 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3ng3 h LEU 142 Cb 0.61 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3ng3 h LEU 142 CO 0.04 0.50 -0.02 0.58 -0.34 0.00 0.00 178.44 179.20 3ng3 h VAL 143 N 0.86 1.27 -0.66 1.05 2.07 -1.25 -1.55 116.25 118.04 3ng3 h VAL 143 Ca 0.28 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3ng3 h VAL 143 Cb 0.02 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3ng3 h VAL 143 CO -0.11 0.43 0.32 0.03 0.02 0.00 0.00 177.57 178.26 3ng3 h ARG 144 N 0.98 0.95 -0.55 1.57 3.08 -1.18 -0.48 114.38 118.76 3ng3 h ARG 144 Ca 0.17 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3ng3 h ARG 144 Cb 0.59 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3ng3 h ARG 144 CO 0.04 0.75 0.12 0.28 -1.07 0.00 0.00 179.97 180.09 3ng3 h VAL 145 N 0.92 1.25 -0.98 2.04 2.07 -1.13 -1.40 116.25 119.02 3ng3 h VAL 145 Ca 0.23 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3ng3 h VAL 145 Cb 0.11 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3ng3 h VAL 145 CO -0.03 0.33 0.64 0.00 0.02 0.00 0.00 177.57 178.53 3ng3 h ARG 147 N 1.25 0.84 -0.64 0.00 2.43 -0.66 -1.81 114.38 115.79 3ng3 h ARG 147 Ca 0.38 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3ng3 h ARG 147 Cb -0.02 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 3ng3 h ARG 147 CO -0.11 0.78 0.36 0.00 -1.51 0.00 0.00 179.97 179.49 3ng3 h ALA 148 N 1.02 0.85 -0.40 2.80 0.00 -0.81 0.18 119.26 122.90 3ng3 h ALA 148 Ca 0.17 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ng3 h ALA 148 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ng3 h ALA 148 CO -0.00 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.54 3ng3 h ALA 149 N 1.32 0.51 0.05 0.00 0.00 -1.04 -0.16 119.26 119.94 3ng3 h ALA 149 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ng3 h ALA 149 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ng3 h ALA 149 CO -0.16 -0.09 -0.02 1.49 0.00 0.00 0.00 179.25 180.47 3ng3 h GLU 150 N 0.49 -0.06 -0.08 0.00 4.81 -0.91 -1.19 114.58 117.64 3ng3 h GLU 150 Ca 0.16 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3ng3 h GLU 150 Cb -0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3ng3 h GLU 150 CO -0.07 0.14 0.07 -0.44 -0.73 0.00 0.00 179.01 177.98 3ng3 h ASP 151 N -0.25 0.00 0.16 1.04 3.32 -0.43 -1.29 116.42 118.96 3ng3 h ASP 151 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ng3 h ASP 151 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3ng3 h ASP 151 CO 0.01 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 177.37 3ng3 n ALA 152 N -2.41 2.90 -0.12 3.45 0.00 -0.09 -4.95 120.51 119.28 3ng3 n ALA 152 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3ng3 n ALA 152 Cb 0.17 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3ng3 n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 153 N 1.28 0.94 3.69 0.00 0.00 -0.49 -4.45 105.19 106.16 3ng3 n GLY 153 Ca 0.15 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3ng3 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 n ALA 154 N -1.64 0.45 -0.02 4.61 0.00 -0.48 -4.94 120.51 118.49 3ng3 n ALA 154 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.31 3ng3 n ALA 154 Cb 0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.07 3ng3 n ALA 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ng3 n ASP 155 N -2.20 0.29 -3.98 0.00 8.00 0.18 -4.77 116.55 114.07 3ng3 n ASP 155 Ca 0.15 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.66 3ng3 n ASP 155 Cb 0.49 1.09 -0.12 0.00 -0.02 0.00 0.00 41.12 42.56 3ng3 n ASP 155 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ng3 s PHE 156 N -3.02 0.32 0.02 1.24 0.08 -0.76 -1.22 117.98 114.63 3ng3 s PHE 156 Ca -0.07 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.56 3ng3 s PHE 156 Cb 0.10 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.29 3ng3 s PHE 156 CO 0.85 -0.13 0.06 0.14 -0.10 0.00 0.00 175.22 176.04 3ng3 s VAL 157 N -1.18 4.52 -0.01 -0.44 -7.23 -0.59 -1.07 120.40 114.40 3ng3 s VAL 157 Ca -0.12 -0.55 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3ng3 s VAL 157 Cb -0.08 -3.08 -0.00 0.00 0.56 0.00 0.00 36.38 33.78 3ng3 s VAL 157 CO -0.01 0.30 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.29 3ng3 s LYS 158 N -1.84 0.45 0.01 4.82 2.20 0.42 -0.76 119.74 125.04 3ng3 s LYS 158 Ca 0.23 -0.17 -0.25 0.00 -0.36 0.00 0.00 55.97 55.42 3ng3 s LYS 158 Cb -0.12 -0.45 -0.18 0.00 -1.51 0.00 0.00 37.83 35.57 3ng3 s LYS 158 CO 0.15 0.09 1.32 1.79 -0.36 0.00 0.00 175.35 178.34 3ng3 h THR 159 N 5.14 1.05 -3.22 3.43 1.35 -1.50 -0.70 112.91 118.47 3ng3 h THR 159 Ca -0.29 -0.76 -0.09 0.00 -0.55 0.00 0.00 66.41 64.72 3ng3 h THR 159 Cb 1.19 1.52 -0.17 0.00 -1.73 0.00 0.00 68.15 68.96 3ng3 h THR 159 CO 0.50 0.18 -0.21 -0.44 -0.25 0.00 0.00 175.52 175.30 3ng3 s SER 160 N -5.38 -0.17 0.19 5.36 0.01 -1.26 -0.65 113.70 111.81 3ng3 s SER 160 Ca -0.15 -0.13 0.10 0.00 1.31 0.00 0.00 55.95 57.08 3ng3 s SER 160 Cb 0.02 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 3ng3 s SER 160 CO 0.62 -0.63 1.38 0.71 0.41 0.00 0.00 173.24 175.74 3ng3 h THR 161 N 3.17 1.41 0.00 1.44 1.35 -1.89 -3.42 112.91 114.97 3ng3 h THR 161 Ca -0.32 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 62.69 3ng3 h THR 161 Cb 1.20 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 3ng3 h THR 161 CO 0.45 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 177.10 3ng3 n GLY 162 N 1.15 0.77 0.00 5.82 0.00 -1.26 -4.88 105.19 106.79 3ng3 n GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ng3 n GLY 162 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ng3 n PHE 163 N -2.35 0.00 -3.10 1.61 3.72 -1.26 -4.95 117.46 111.13 3ng3 n PHE 163 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 3ng3 n PHE 163 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 3ng3 n PHE 163 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3ng3 s HIS 164 N -0.51 3.77 0.24 1.38 2.46 -1.26 -4.96 115.29 116.41 3ng3 s HIS 164 Ca 0.00 1.39 0.36 0.00 0.47 0.00 0.00 55.06 57.29 3ng3 s HIS 164 Cb 0.00 -2.68 1.67 0.00 -0.13 0.00 0.00 32.58 31.43 3ng3 s HIS 164 CO 0.00 0.41 2.09 -1.00 -2.47 0.00 0.00 174.74 173.77 3ng3 h PRO 165 N 5.14 0.00 0.00 2.88 0.13 -2.01 -1.20 132.00 136.94 3ng3 h PRO 165 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3ng3 h PRO 165 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ng3 h PRO 165 CO 0.68 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.11 3ng3 h SER 166 N 0.00 0.00 0.00 1.44 4.64 -1.93 -3.49 113.55 114.21 3ng3 h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ng3 h SER 166 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3ng3 h SER 166 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ng3 n GLY 167 N -0.56 0.18 0.00 -0.77 0.00 -0.45 -4.82 105.19 98.77 3ng3 n GLY 167 Ca -0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3ng3 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 168 N 0.00 5.27 3.78 -0.02 0.00 -1.26 -4.53 105.19 108.43 3ng3 n GLY 168 Ca 0.00 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3ng3 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 169 N -2.00 3.60 0.21 4.61 0.00 -0.29 -4.38 121.76 123.51 3ng3 s ALA 169 Ca 0.00 1.58 0.10 0.00 0.00 0.00 0.00 51.96 53.64 3ng3 s ALA 169 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3ng3 s ALA 169 CO 0.00 -1.05 -0.20 -1.54 0.00 0.00 0.00 175.76 172.97 3ng3 s SER 170 N -0.05 3.12 0.29 0.00 1.04 -1.26 -4.97 113.70 111.87 3ng3 s SER 170 Ca 0.54 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 56.07 3ng3 s SER 170 Cb -0.47 -0.22 0.44 0.00 0.10 0.00 0.00 66.02 65.87 3ng3 s SER 170 CO 0.61 0.01 1.73 -0.37 0.98 0.00 0.00 173.24 176.19 3ng3 h VAL 171 N 2.85 1.27 -0.65 5.02 -1.51 -1.96 -2.00 116.25 119.27 3ng3 h VAL 171 Ca -0.42 -1.31 -0.02 0.00 -1.23 0.00 0.00 66.70 63.73 3ng3 h VAL 171 Cb 1.22 1.43 -0.03 0.00 -2.13 0.00 0.00 31.29 31.79 3ng3 h VAL 171 CO 0.54 0.41 0.34 -0.09 -1.23 0.00 0.00 177.57 177.55 3ng3 h ARG 172 N 0.35 0.91 -0.30 5.19 9.65 -1.98 0.68 114.38 128.88 3ng3 h ARG 172 Ca 0.05 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 3ng3 h ARG 172 Cb 0.69 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 3ng3 h ARG 172 CO 0.05 0.69 0.12 0.00 2.80 0.00 0.00 179.97 183.63 3ng3 h ALA 173 N 1.16 0.39 -0.24 2.80 0.00 -1.87 -1.24 119.26 120.26 3ng3 h ALA 173 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ng3 h ALA 173 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ng3 h ALA 173 CO -0.03 -0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.62 3ng3 h VAL 174 N 0.33 1.10 -0.46 0.00 2.07 -1.15 0.84 116.25 118.99 3ng3 h VAL 174 Ca 0.10 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3ng3 h VAL 174 Cb 0.19 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3ng3 h VAL 174 CO -0.01 0.10 0.18 0.00 0.02 0.00 0.00 177.57 177.87 3ng3 h ALA 175 N 1.03 0.56 -0.40 1.67 0.00 -0.74 0.36 119.26 121.74 3ng3 h ALA 175 Ca 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ng3 h ALA 175 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ng3 h ALA 175 CO -0.01 -0.20 0.23 -0.07 0.00 0.00 0.00 179.25 179.20 3ng3 h LEU 176 N 0.37 0.48 -0.53 0.00 3.38 -0.84 -0.86 115.31 117.31 3ng3 h LEU 176 Ca 0.21 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3ng3 h LEU 176 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ng3 h LEU 176 CO -0.20 0.41 -0.05 0.24 0.09 0.00 0.00 178.44 178.93 3ng3 h MET 177 N 0.52 0.97 -0.40 1.13 2.86 -0.27 -2.26 114.93 117.47 3ng3 h MET 177 Ca 0.14 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3ng3 h MET 177 Cb 0.02 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3ng3 h MET 177 CO -0.03 1.00 0.13 0.00 1.06 0.00 0.00 176.91 179.08 3ng3 h ALA 178 N 0.93 0.53 -0.73 6.32 0.00 -0.04 -2.57 119.26 123.70 3ng3 h ALA 178 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ng3 h ALA 178 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ng3 h ALA 178 CO 0.04 0.16 0.33 1.05 0.00 0.00 0.00 179.25 180.83 3ng3 h GLU 179 N 0.51 1.06 -0.23 0.00 4.11 -1.12 0.20 114.58 119.10 3ng3 h GLU 179 Ca 0.13 -0.16 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 3ng3 h GLU 179 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ng3 h GLU 179 CO -0.01 0.83 -0.29 0.00 0.07 0.00 0.00 179.01 179.61 3ng3 h ALA 180 N 1.32 1.07 0.00 1.06 0.00 -1.18 -3.15 119.26 118.38 3ng3 h ALA 180 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ng3 h ALA 180 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ng3 h ALA 180 CO -0.03 0.57 -1.63 1.33 0.00 0.00 0.00 179.25 179.49 3ng3 n VAL 181 N -4.10 0.23 -3.51 0.00 0.24 -0.99 -4.90 118.33 105.30 3ng3 n VAL 181 Ca -0.01 -0.52 -0.25 0.00 -2.04 0.00 0.00 64.34 61.53 3ng3 n VAL 181 Cb 0.43 -0.12 0.06 0.00 -1.47 0.00 0.00 33.84 32.74 3ng3 n VAL 181 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ng3 n GLY 182 N 1.23 -0.53 2.74 7.63 0.00 0.05 -1.43 105.19 114.88 3ng3 n GLY 182 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3ng3 n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 183 N -1.83 0.63 0.09 -0.02 0.00 -1.26 -4.87 105.19 97.93 3ng3 n GLY 183 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3ng3 n GLY 183 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ng3 h ARG 184 N 1.70 0.00 -5.96 1.61 3.08 -1.62 -3.45 114.38 109.73 3ng3 h ARG 184 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3ng3 h ARG 184 Cb 0.09 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.96 3ng3 h ARG 184 CO 0.00 0.59 -0.78 -0.51 -1.07 0.00 0.00 179.97 178.20 3ng3 s LEU 185 N -6.27 2.45 0.76 3.04 1.02 -1.26 -5.03 118.68 113.39 3ng3 s LEU 185 Ca -0.01 -0.87 -0.11 0.00 0.02 0.00 0.00 54.13 53.16 3ng3 s LEU 185 Cb 0.09 -0.85 0.05 0.00 0.02 0.00 0.00 46.19 45.50 3ng3 s LEU 185 CO 0.81 -0.03 1.08 -0.83 0.02 0.00 0.00 176.35 177.40 3ng3 s GLY 186 N -2.71 1.64 -0.13 -3.19 0.00 -0.36 -4.83 107.32 97.74 3ng3 s GLY 186 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.84 3ng3 s GLY 186 CO 0.07 0.34 -0.10 0.14 0.00 0.00 0.00 173.10 173.55 3ng3 s VAL 187 N -3.08 1.22 -0.24 1.40 1.01 -1.26 -1.55 120.40 117.91 3ng3 s VAL 187 Ca 0.60 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 3ng3 s VAL 187 Cb -0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3ng3 s VAL 187 CO 0.55 0.39 0.10 -0.75 0.00 0.00 0.00 175.10 175.38 3ng3 s LYS 188 N 1.63 3.80 -0.10 2.72 2.20 0.06 -0.56 119.74 129.48 3ng3 s LYS 188 Ca 0.05 -0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.09 3ng3 s LYS 188 Cb -0.13 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3ng3 s LYS 188 CO -0.09 -0.08 0.40 0.00 -0.36 0.00 0.00 175.35 175.22 3ng3 s ALA 189 N 1.35 3.57 0.10 3.13 0.00 -0.69 -1.34 121.76 127.89 3ng3 s ALA 189 Ca 0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 3ng3 s ALA 189 Cb -0.15 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.50 3ng3 s ALA 189 CO 0.05 0.16 0.29 -1.54 0.00 0.00 0.00 175.76 174.71 3ng3 s SER 190 N 0.13 -0.05 0.00 0.00 1.04 -1.26 -1.11 113.70 112.44 3ng3 s SER 190 Ca 0.22 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3ng3 s SER 190 Cb -0.15 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3ng3 s SER 190 CO 0.09 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3ng3 n GLY 191 N -0.10 -2.03 2.28 7.32 0.00 -1.26 -1.14 105.19 110.26 3ng3 n GLY 191 Ca -0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 3ng3 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 192 N 0.80 0.42 3.54 -0.02 0.00 -1.26 -2.42 105.19 106.26 3ng3 n GLY 192 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3ng3 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ng3 s ILE 193 N -1.78 3.87 -0.06 -0.61 1.01 -1.26 -4.80 121.20 117.57 3ng3 s ILE 193 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.59 3ng3 s ILE 193 Cb 0.00 -4.95 -0.09 0.00 0.01 0.00 0.00 42.46 37.43 3ng3 s ILE 193 CO 0.00 -1.85 0.16 0.54 0.00 0.00 0.00 174.94 173.79 3ng3 n ARG 194 N 8.99 1.01 -4.51 2.79 1.74 -1.26 -4.77 116.66 120.64 3ng3 n ARG 194 Ca 0.14 -0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.93 3ng3 n ARG 194 Cb 0.49 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 3ng3 n ARG 194 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ng3 s THR 195 N -2.29 1.60 0.13 0.55 -4.23 -1.26 -4.34 115.64 105.81 3ng3 s THR 195 Ca -0.02 -2.03 -0.21 0.00 -1.18 0.00 0.00 61.69 58.25 3ng3 s THR 195 Cb 0.04 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 3ng3 s THR 195 CO 0.26 -0.07 1.67 0.00 -0.54 0.00 0.00 174.62 175.95 3ng3 h ALA 196 N 2.02 -0.01 -0.91 3.99 0.00 -1.82 -2.15 119.26 120.38 3ng3 h ALA 196 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ng3 h ALA 196 Cb 1.24 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3ng3 h ALA 196 CO 0.73 -0.57 0.58 0.00 0.00 0.00 0.00 179.25 179.99 3ng3 h ALA 197 N 0.96 1.15 -0.29 0.00 0.00 -1.92 0.42 119.26 119.59 3ng3 h ALA 197 Ca 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ng3 h ALA 197 Cb 0.29 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3ng3 h ALA 197 CO -0.25 0.58 0.01 -0.44 0.00 0.00 0.00 179.25 179.16 3ng3 h ASP 198 N 1.24 -0.08 -0.08 0.00 3.32 -1.93 -1.50 116.42 117.39 3ng3 h ASP 198 Ca 0.33 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 3ng3 h ASP 198 Cb -0.10 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ng3 h ASP 198 CO -0.07 -0.01 0.03 0.00 -1.72 0.00 0.00 179.24 177.48 3ng3 h ALA 199 N 1.24 0.10 -0.47 3.45 0.00 -0.60 -1.71 119.26 121.26 3ng3 h ALA 199 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ng3 h ALA 199 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ng3 h ALA 199 CO -0.22 -0.32 0.11 -0.07 0.00 0.00 0.00 179.25 178.75 3ng3 h LEU 200 N -0.03 0.66 -0.76 0.00 3.38 -0.90 -2.17 115.31 115.50 3ng3 h LEU 200 Ca 0.03 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3ng3 h LEU 200 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ng3 h LEU 200 CO -0.00 0.66 -0.45 0.00 0.09 0.00 0.00 178.44 178.74 3ng3 h ALA 201 N 1.43 0.93 -0.44 1.53 0.00 -1.03 0.22 119.26 121.91 3ng3 h ALA 201 Ca 0.16 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3ng3 h ALA 201 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ng3 h ALA 201 CO -0.00 0.64 0.07 0.52 0.00 0.00 0.00 179.25 180.48 3ng3 h MET 202 N 0.32 0.72 -0.22 0.00 2.86 -0.97 -1.76 114.93 115.89 3ng3 h MET 202 Ca 0.02 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3ng3 h MET 202 Cb 0.91 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3ng3 h MET 202 CO 0.08 0.75 0.09 -0.07 1.06 0.00 0.00 176.91 178.82 3ng3 h LEU 203 N 0.58 0.30 -1.95 1.22 3.38 -1.16 -1.95 115.31 115.74 3ng3 h LEU 203 Ca 0.13 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3ng3 h LEU 203 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3ng3 h LEU 203 CO 0.01 0.38 0.19 -0.78 0.09 0.00 0.00 178.44 178.32 3ng3 h ASP 204 N 0.21 0.05 0.99 -0.43 3.58 -0.89 -0.24 116.42 119.68 3ng3 h ASP 204 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3ng3 h ASP 204 Cb 0.17 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.21 3ng3 h ASP 204 CO -0.01 0.03 -0.03 0.00 -2.88 0.00 0.00 179.24 176.36 3ng3 n ALA 205 N -2.57 2.40 0.00 -0.78 0.00 -0.67 -4.90 120.51 113.98 3ng3 n ALA 205 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ng3 n ALA 205 Cb 0.30 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3ng3 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 206 N 1.49 0.59 3.75 0.00 0.00 -0.10 -3.66 105.19 107.27 3ng3 n GLY 206 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3ng3 n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 207 N -1.19 3.51 -1.12 4.61 0.00 -0.77 -4.61 121.76 122.19 3ng3 s ALA 207 Ca 0.00 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.22 3ng3 s ALA 207 Cb 0.00 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 19.77 3ng3 s ALA 207 CO 0.00 -0.56 0.91 0.25 0.00 0.00 0.00 175.76 176.36 3ng3 n THR 208 N 1.76 0.24 -3.63 0.00 -2.24 0.28 -4.45 114.28 106.24 3ng3 n THR 208 Ca 0.03 -0.62 -0.16 0.00 -2.27 0.00 0.00 64.05 61.03 3ng3 n THR 208 Cb 0.42 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 3ng3 n THR 208 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3ng3 s ARG 209 N -0.86 0.88 -0.05 -0.78 6.06 -1.04 -4.90 118.95 118.27 3ng3 s ARG 209 Ca 0.14 0.09 0.04 0.00 -2.50 0.00 0.00 55.73 53.50 3ng3 s ARG 209 Cb 0.09 0.41 -0.00 0.00 0.06 0.00 0.00 34.95 35.50 3ng3 s ARG 209 CO 0.13 -0.26 -0.17 -0.51 -2.50 0.00 0.00 175.30 171.99 3ng3 s LEU 210 N -1.19 1.90 -0.33 -0.88 1.43 0.46 -1.70 118.68 118.37 3ng3 s LEU 210 Ca -0.12 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 3ng3 s LEU 210 Cb -0.02 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 3ng3 s LEU 210 CO 0.07 0.14 0.23 -0.83 0.23 0.00 0.00 176.35 176.19 3ng3 s GLY 211 N 0.10 1.96 0.01 -3.19 0.00 -0.27 -0.51 107.32 105.42 3ng3 s GLY 211 Ca -0.05 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.37 3ng3 s GLY 211 CO 0.03 0.75 -0.10 1.08 0.00 0.00 0.00 173.10 174.85 3ng3 s LEU 212 N 1.73 2.07 -0.19 0.66 1.43 -0.92 -4.10 118.68 119.36 3ng3 s LEU 212 Ca 0.06 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3ng3 s LEU 212 Cb -0.17 -0.48 -0.19 0.00 0.03 0.00 0.00 46.19 45.38 3ng3 s LEU 212 CO 0.11 0.07 -0.02 -1.54 0.23 0.00 0.00 176.35 175.20 3ng3 n SER 213 N 2.55 1.20 -3.10 2.29 3.41 -1.26 -0.68 113.62 118.03 3ng3 n SER 213 Ca -0.15 -0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 3ng3 n SER 213 Cb 0.56 0.55 0.02 0.00 -0.26 0.00 0.00 64.21 65.08 3ng3 n SER 213 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ng3 n GLY 214 N 2.09 5.79 0.22 5.00 0.00 -1.26 -4.73 105.19 112.29 3ng3 n GLY 214 Ca -0.31 -2.57 -0.04 0.00 0.00 0.00 0.00 46.02 43.09 3ng3 n GLY 214 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ng3 h THR 215 N 2.22 1.00 0.11 2.61 2.02 -1.94 -2.54 112.91 116.39 3ng3 h THR 215 Ca 0.49 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.48 3ng3 h THR 215 Cb 0.26 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3ng3 h THR 215 CO 1.24 0.11 -0.17 -0.09 0.37 0.00 0.00 175.52 176.97 3ng3 h ARG 216 N 0.59 -0.33 -0.95 6.66 2.43 -1.99 0.91 114.38 121.71 3ng3 h ARG 216 Ca 0.24 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.53 3ng3 h ARG 216 Cb 0.10 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 3ng3 h ARG 216 CO -0.14 -0.22 0.61 0.00 -1.51 0.00 0.00 179.97 178.71 3ng3 h ALA 217 N 0.49 1.56 -0.24 2.80 0.00 -1.89 0.51 119.26 122.49 3ng3 h ALA 217 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ng3 h ALA 217 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ng3 h ALA 217 CO -0.08 0.25 0.10 0.28 0.00 0.00 0.00 179.25 179.79 3ng3 h VAL 218 N 0.98 1.16 -0.43 0.00 2.07 -0.92 -2.41 116.25 116.69 3ng3 h VAL 218 Ca 0.44 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3ng3 h VAL 218 Cb 0.39 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ng3 h VAL 218 CO -0.20 0.16 -0.10 -0.07 0.02 0.00 0.00 177.57 177.38 3ng3 h LEU 219 N 0.24 0.74 -1.66 2.57 3.38 0.17 -2.78 115.31 117.97 3ng3 h LEU 219 Ca 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3ng3 h LEU 219 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ng3 h LEU 219 CO -0.01 0.87 -0.12 0.44 0.09 0.00 0.00 178.44 179.71 3ng3 h ASP 220 N 0.69 0.06 0.32 -0.43 3.32 0.19 -1.67 116.42 118.89 3ng3 h ASP 220 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ng3 h ASP 220 Cb 0.56 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3ng3 h ASP 220 CO 0.03 0.19 0.00 1.23 -1.72 0.00 0.00 179.24 178.98 3ng3 h GLY 221 N 0.48 0.00 0.47 2.75 0.00 -1.14 -3.51 103.07 102.12 3ng3 h GLY 221 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3ng3 h GLY 221 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60