#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng3 s PRO 3 N 0.00 3.72 1.09 1.09 0.04 -1.26 -5.09 135.00 134.59 3ng3 s PRO 3 Ca 0.00 0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.43 3ng3 s PRO 3 Cb 0.00 -2.28 0.23 0.00 0.04 0.00 0.00 34.50 32.49 3ng3 s PRO 3 CO 0.00 -0.22 1.12 0.95 0.04 0.00 0.00 177.00 178.90 3ng3 s THR 4 N -2.65 1.81 0.16 1.26 -4.23 -1.26 -4.80 115.64 105.93 3ng3 s THR 4 Ca 0.52 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.88 3ng3 s THR 4 Cb -0.10 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3ng3 s THR 4 CO 0.39 0.00 1.81 -0.09 -0.54 0.00 0.00 174.62 176.19 3ng3 h ARG 5 N -2.18 0.55 -0.65 3.99 2.43 -1.99 -1.33 114.38 115.19 3ng3 h ARG 5 Ca -0.49 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.59 3ng3 h ARG 5 Cb 1.31 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3ng3 h ARG 5 CO 0.45 0.36 0.17 0.00 -1.51 0.00 0.00 179.97 179.45 3ng3 h ALA 6 N 1.18 0.86 -0.54 2.80 0.00 -1.93 -1.16 119.26 120.46 3ng3 h ALA 6 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3ng3 h ALA 6 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ng3 h ALA 6 CO -0.06 0.56 -0.03 1.96 0.00 0.00 0.00 179.25 181.69 3ng3 h GLN 7 N 0.96 0.98 -0.23 0.00 4.20 -1.90 -1.75 115.11 117.38 3ng3 h GLN 7 Ca 0.21 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3ng3 h GLN 7 Cb 0.35 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3ng3 h GLN 7 CO -0.00 1.00 0.01 1.25 -0.67 0.00 0.00 178.83 180.42 3ng3 h LEU 8 N 0.86 0.38 -1.09 1.46 5.85 -1.11 -2.83 115.31 118.83 3ng3 h LEU 8 Ca 0.15 -0.30 0.17 0.00 0.84 0.00 0.00 57.88 58.74 3ng3 h LEU 8 Cb 0.58 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 3ng3 h LEU 8 CO 0.03 0.59 0.61 0.00 -0.34 0.00 0.00 178.44 179.34 3ng3 h ALA 9 N 0.81 1.70 0.00 1.25 0.00 -1.04 -1.22 119.26 120.75 3ng3 h ALA 9 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ng3 h ALA 9 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ng3 h ALA 9 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3ng3 h ALA 10 N 1.61 1.00 -0.00 0.00 0.00 -1.05 -0.07 119.26 120.74 3ng3 h ALA 10 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3ng3 h ALA 10 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ng3 h ALA 10 CO -0.31 0.00 -0.24 1.19 0.00 0.00 0.00 179.25 179.89 3ng3 n PHE 11 N -2.42 0.00 -3.80 0.00 3.72 -0.46 -4.31 117.46 110.19 3ng3 n PHE 11 Ca -0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.04 3ng3 n PHE 11 Cb 0.12 -0.33 -0.08 0.00 -0.94 0.00 0.00 39.48 38.25 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 -2.91 5.33 -0.47 -4.37 1.01 -0.05 -0.13 120.40 118.82 3ng3 s VAL 12 Ca 0.15 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 3ng3 s VAL 12 Cb 0.19 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 33.21 3ng3 s VAL 12 CO 0.59 0.48 0.52 -1.81 0.00 0.00 0.00 175.10 174.89 3ng3 s ASP 13 N 0.07 6.20 -0.19 3.32 1.01 0.55 -1.21 116.67 126.41 3ng3 s ASP 13 Ca 0.09 -0.92 -0.27 0.00 0.71 0.00 0.00 52.55 52.15 3ng3 s ASP 13 Cb -0.11 -2.25 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 3ng3 s ASP 13 CO -0.01 -0.75 0.95 -2.28 0.21 0.00 0.00 175.17 173.29 3ng3 s HIS 14 N 2.27 3.39 -0.02 4.23 2.46 -0.03 -2.07 115.29 125.53 3ng3 s HIS 14 Ca 0.12 1.38 0.05 0.00 0.47 0.00 0.00 55.06 57.08 3ng3 s HIS 14 Cb -0.20 -3.15 -0.01 0.00 -0.13 0.00 0.00 32.58 29.09 3ng3 s HIS 14 CO 0.11 -0.36 -0.15 0.99 -2.47 0.00 0.00 174.74 172.86 3ng3 s THR 15 N 2.67 1.22 -0.06 0.89 2.01 -0.41 -0.57 115.64 121.39 3ng3 s THR 15 Ca 0.42 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 3ng3 s THR 15 Cb -0.16 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.36 3ng3 s THR 15 CO 0.10 0.35 0.06 -0.22 -0.69 0.00 0.00 174.62 174.22 3ng3 s LEU 16 N -0.29 0.19 -0.02 4.42 2.96 -0.77 -4.40 118.68 120.77 3ng3 s LEU 16 Ca 0.04 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3ng3 s LEU 16 Cb -0.07 -0.17 0.04 0.00 0.50 0.00 0.00 46.19 46.49 3ng3 s LEU 16 CO -0.00 -0.26 0.85 0.18 -1.32 0.00 0.00 176.35 175.80 3ng3 n LEU 17 N 5.29 0.51 -4.77 -0.68 4.77 -1.26 -4.01 117.00 116.86 3ng3 n LEU 17 Ca -0.04 -1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 54.52 3ng3 n LEU 17 Cb 0.50 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3ng3 n LEU 17 CO 0.07 0.25 0.92 -0.54 -1.33 0.00 0.00 177.39 176.76 3ng3 s LYS 18 N -0.48 3.80 0.53 3.23 1.02 -1.26 -4.89 119.74 121.69 3ng3 s LYS 18 Ca 0.04 2.05 0.19 0.00 0.02 0.00 0.00 55.97 58.28 3ng3 s LYS 18 Cb 0.04 -2.59 1.39 0.00 -0.52 0.00 0.00 37.83 36.14 3ng3 s LYS 18 CO 0.00 -0.60 2.16 -1.35 -0.92 0.00 0.00 175.35 174.65 3ng3 h PRO 19 N 2.34 0.00 -0.00 -1.68 0.11 -2.04 -2.27 132.00 128.46 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ng3 h PRO 19 CO 0.61 0.00 -0.08 -0.85 -0.21 0.00 0.00 178.00 177.47 3ng3 n GLU 20 N -4.39 0.51 -1.67 1.05 0.00 -1.26 -4.93 120.64 109.95 3ng3 n GLU 20 Ca -0.02 -0.11 -0.45 0.00 0.00 0.00 0.00 57.16 56.57 3ng3 n GLU 20 Cb 0.11 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.03 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 -1.15 1.08 -2.27 -1.84 0.00 -0.86 -5.01 120.51 110.47 3ng3 n ALA 21 Ca 0.14 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.76 3ng3 n ALA 21 Cb 0.27 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.06 2.25 0.27 0.00 -4.23 -1.26 -5.00 115.64 107.61 3ng3 s THR 22 Ca 0.68 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.79 3ng3 s THR 22 Cb -0.65 -2.63 0.17 0.00 1.34 0.00 0.00 72.50 70.73 3ng3 s THR 22 CO 0.50 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.42 3ng3 h ALA 23 N 0.87 1.21 -0.69 3.99 0.00 -1.99 -2.13 119.26 120.53 3ng3 h ALA 23 Ca -0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3ng3 h ALA 23 Cb 1.28 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3ng3 h ALA 23 CO 0.56 0.57 0.35 0.00 0.00 0.00 0.00 179.25 180.73 3ng3 h ALA 24 N 1.33 0.88 -0.65 0.00 0.00 -1.99 -0.05 119.26 118.79 3ng3 h ALA 24 Ca 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ng3 h ALA 24 Cb 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ng3 h ALA 24 CO -0.02 0.42 0.42 -0.44 0.00 0.00 0.00 179.25 179.64 3ng3 h ASP 25 N 0.95 0.71 -0.37 0.00 3.32 -1.84 -1.75 116.42 117.44 3ng3 h ASP 25 Ca 0.24 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3ng3 h ASP 25 Cb 0.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3ng3 h ASP 25 CO -0.03 0.51 -0.12 0.58 -1.72 0.00 0.00 179.24 178.45 3ng3 h VAL 26 N 0.84 1.26 -0.43 -1.35 2.07 -0.86 -1.11 116.25 116.66 3ng3 h VAL 26 Ca 0.24 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 3ng3 h VAL 26 Cb -0.06 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3ng3 h VAL 26 CO -0.07 0.41 -0.04 0.00 0.02 0.00 0.00 177.57 177.89 3ng3 h ALA 27 N 1.13 1.11 -0.22 1.67 0.00 -0.78 -0.56 119.26 121.62 3ng3 h ALA 27 Ca 0.12 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3ng3 h ALA 27 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ng3 h ALA 27 CO 0.04 0.56 -0.40 0.00 0.00 0.00 0.00 179.25 179.45 3ng3 h ALA 28 N 1.28 0.88 -0.59 0.00 0.00 -1.08 -2.52 119.26 117.22 3ng3 h ALA 28 Ca 0.13 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3ng3 h ALA 28 Cb 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ng3 h ALA 28 CO 0.02 0.64 0.23 1.25 0.00 0.00 0.00 179.25 181.40 3ng3 h LEU 29 N 0.43 0.81 -0.13 0.00 5.85 -0.59 -1.30 115.31 120.39 3ng3 h LEU 29 Ca 0.04 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3ng3 h LEU 29 Cb 0.89 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ng3 h LEU 29 CO 0.08 0.77 0.06 0.58 -0.34 0.00 0.00 178.44 179.58 3ng3 h VAL 30 N 0.81 1.14 -0.87 1.05 2.07 -1.04 -0.83 116.25 118.58 3ng3 h VAL 30 Ca 0.20 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.38 3ng3 h VAL 30 Cb 0.21 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3ng3 h VAL 30 CO -0.02 0.12 0.54 0.74 0.02 0.00 0.00 177.57 178.98 3ng3 h THR 31 N 0.07 1.03 -0.09 2.57 2.02 -1.36 -1.93 112.91 115.22 3ng3 h THR 31 Ca 0.04 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 3ng3 h THR 31 Cb 0.15 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3ng3 h THR 31 CO -0.00 0.18 -0.50 -0.08 0.37 0.00 0.00 175.52 175.49 3ng3 h GLU 32 N 0.97 0.23 -0.38 6.66 4.81 -1.06 -2.64 114.58 123.17 3ng3 h GLU 32 Ca 0.39 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.35 3ng3 h GLU 32 Cb 0.20 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3ng3 h GLU 32 CO -0.18 0.68 -0.32 0.00 -0.73 0.00 0.00 179.01 178.46 3ng3 h ALA 33 N 1.30 0.72 -0.41 2.92 0.00 -0.41 -1.61 119.26 121.78 3ng3 h ALA 33 Ca 0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3ng3 h ALA 33 Cb 0.94 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3ng3 h ALA 33 CO 0.08 0.66 -0.25 0.00 0.00 0.00 0.00 179.25 179.73 3ng3 h ALA 34 N 0.92 0.78 -0.73 0.00 0.00 -1.36 -1.00 119.26 117.88 3ng3 h ALA 34 Ca 0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3ng3 h ALA 34 Cb 0.87 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3ng3 h ALA 34 CO 0.08 0.65 0.22 1.49 0.00 0.00 0.00 179.25 181.69 3ng3 h GLU 35 N 0.73 1.14 0.00 0.00 4.81 -1.36 -3.09 114.58 116.81 3ng3 h GLU 35 Ca 0.09 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3ng3 h GLU 35 Cb 0.80 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3ng3 h GLU 35 CO 0.07 0.98 -0.16 1.28 -0.73 0.00 0.00 179.01 180.44 3ng3 n LEU 36 N -4.26 0.80 -1.27 1.64 4.77 -0.62 -4.94 117.00 113.12 3ng3 n LEU 36 Ca 0.06 0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 3ng3 n LEU 36 Cb 0.23 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3ng3 n LEU 36 CO 0.42 -0.15 0.02 0.61 -1.33 0.00 0.00 177.39 176.96 3ng3 n GLY 37 N 1.31 0.34 3.88 -0.72 0.00 -0.41 -4.85 105.19 104.74 3ng3 n GLY 37 Ca 0.05 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.85 1.99 0.03 1.61 -7.23 -1.04 -3.92 120.40 108.99 3ng3 s VAL 38 Ca 0.13 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.12 3ng3 s VAL 38 Cb -0.06 -2.94 -0.22 0.00 0.56 0.00 0.00 36.38 33.73 3ng3 s VAL 38 CO 0.16 0.00 1.15 0.22 -0.31 0.00 0.00 175.10 176.32 3ng3 h TYR 39 N -1.29 0.72 -3.23 2.82 3.20 -1.12 -3.46 116.97 114.62 3ng3 h TYR 39 Ca -0.47 -0.37 -0.04 0.00 3.14 0.00 0.00 58.73 61.00 3ng3 h TYR 39 Cb 1.31 -0.09 -0.12 0.00 1.54 0.00 0.00 36.73 39.37 3ng3 h TYR 39 CO -0.01 1.18 0.05 0.00 -1.64 0.00 0.00 178.16 177.74 3ng3 s ALA 40 N -3.36 -1.19 0.19 1.82 0.00 -1.08 -4.51 121.76 113.62 3ng3 s ALA 40 Ca -0.12 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 3ng3 s ALA 40 Cb 0.05 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 3ng3 s ALA 40 CO 0.84 -0.71 0.41 0.14 0.00 0.00 0.00 175.76 176.45 3ng3 s VAL 41 N -3.79 5.15 -0.13 0.00 -7.23 -0.59 -0.85 120.40 112.97 3ng3 s VAL 41 Ca 0.03 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.12 3ng3 s VAL 41 Cb 0.00 -3.68 0.02 0.00 0.56 0.00 0.00 36.38 33.29 3ng3 s VAL 41 CO -0.11 -0.09 -0.14 0.00 -0.31 0.00 0.00 175.10 174.45 3ng3 s VAL 43 N 1.32 0.83 0.59 0.00 -7.23 -0.80 -1.84 120.40 113.27 3ng3 s VAL 43 Ca 0.00 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 3ng3 s VAL 43 Cb -0.14 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3ng3 s VAL 43 CO -0.07 -0.27 1.09 -0.44 -0.31 0.00 0.00 175.10 175.10 3ng3 s SER 44 N -3.28 5.62 0.25 4.85 0.01 -1.26 -3.58 113.70 116.32 3ng3 s SER 44 Ca 0.30 1.97 -0.04 0.00 1.31 0.00 0.00 55.95 59.49 3ng3 s SER 44 Cb 0.06 -2.55 0.48 0.00 0.21 0.00 0.00 66.02 64.23 3ng3 s SER 44 CO 0.09 -1.28 1.71 -0.65 0.41 0.00 0.00 173.24 173.52 3ng3 h PRO 45 N 0.62 0.36 0.00 12.44 0.11 -1.96 0.24 132.00 143.79 3ng3 h PRO 45 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ng3 h PRO 45 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ng3 h PRO 45 CO 0.56 0.24 0.00 -2.30 -0.21 0.00 0.00 178.00 176.29 3ng3 n PRO 46 N -5.07 0.03 0.00 1.05 -0.02 -1.26 -2.47 135.00 127.26 3ng3 n PRO 46 Ca 0.15 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3ng3 n PRO 46 Cb 0.46 -1.56 0.11 0.00 -0.02 0.00 0.00 33.50 32.48 3ng3 n PRO 46 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ng3 n MET 47 N -1.62 0.96 -0.06 -0.52 2.81 0.07 -4.55 117.12 114.20 3ng3 n MET 47 Ca 0.03 -0.73 -0.08 0.00 -1.81 0.00 0.00 57.70 55.10 3ng3 n MET 47 Cb 0.15 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.78 0.93 -0.71 2.03 2.07 -1.45 -2.17 116.25 118.73 3ng3 h VAL 48 Ca 0.00 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3ng3 h VAL 48 Cb 0.65 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 3ng3 h VAL 48 CO 0.00 0.03 0.39 -0.65 0.02 0.00 0.00 177.57 177.37 3ng3 h PRO 49 N 0.18 0.69 0.00 1.57 0.11 -1.80 -0.01 132.00 132.73 3ng3 h PRO 49 Ca 0.10 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3ng3 h PRO 49 Cb 0.08 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3ng3 h PRO 49 CO -0.11 0.46 -0.14 0.00 -0.21 0.00 0.00 178.00 178.00 3ng3 h ALA 50 N 1.38 0.92 -0.17 -0.75 0.00 -1.85 0.07 119.26 118.86 3ng3 h ALA 50 Ca 0.32 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ng3 h ALA 50 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ng3 h ALA 50 CO -0.20 0.17 -0.14 0.00 0.00 0.00 0.00 179.25 179.08 3ng3 h ALA 51 N 1.86 0.25 -0.39 0.00 0.00 -1.04 -2.60 119.26 117.34 3ng3 h ALA 51 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3ng3 h ALA 51 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ng3 h ALA 51 CO 0.02 0.12 0.04 0.28 0.00 0.00 0.00 179.25 179.71 3ng3 h VAL 52 N 0.06 1.25 0.00 0.00 2.07 -0.78 -3.04 116.25 115.82 3ng3 h VAL 52 Ca 0.03 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 3ng3 h VAL 52 Cb 0.66 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3ng3 h VAL 52 CO 0.04 0.31 -0.51 1.56 0.02 0.00 0.00 177.57 178.99 3ng3 h GLN 53 N 0.50 0.00 -0.00 1.57 4.20 -1.11 -3.23 115.11 117.04 3ng3 h GLN 53 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3ng3 h GLN 53 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3ng3 h GLN 53 CO 0.01 0.51 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 3ng3 n ALA 54 N -2.43 1.47 -0.73 3.87 0.00 -0.98 -5.08 120.51 116.64 3ng3 n ALA 54 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ng3 n ALA 54 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3ng3 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 55 N -0.37 1.18 0.04 0.00 0.00 -1.22 -4.94 105.19 99.87 3ng3 n GLY 55 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3ng3 n GLY 55 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ng3 n VAL 58 N -2.28 -0.23 -2.21 1.61 3.14 -1.26 -5.10 118.33 111.99 3ng3 n VAL 58 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 3ng3 n VAL 58 Cb 0.16 -0.23 -0.03 0.00 -1.06 0.00 0.00 33.84 32.67 3ng3 n VAL 58 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 3ng3 s ARG 59 N -4.01 4.34 -0.17 1.45 3.52 -1.26 -4.93 118.95 117.89 3ng3 s ARG 59 Ca 0.00 2.03 -0.04 0.00 -0.13 0.00 0.00 55.73 57.59 3ng3 s ARG 59 Cb 0.00 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 3ng3 s ARG 59 CO 0.00 -0.39 -0.03 0.08 -0.81 0.00 0.00 175.30 174.15 3ng3 s VAL 60 N 0.99 3.87 0.10 7.11 1.01 -1.26 -1.53 120.40 130.68 3ng3 s VAL 60 Ca 0.63 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3ng3 s VAL 60 Cb -0.36 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3ng3 s VAL 60 CO 0.31 0.47 0.12 0.00 0.00 0.00 0.00 175.10 175.99 3ng3 s ALA 61 N 0.64 3.63 0.34 5.51 0.00 0.69 0.62 121.76 133.20 3ng3 s ALA 61 Ca -0.02 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3ng3 s ALA 61 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 3ng3 s ALA 61 CO 0.02 0.70 0.14 0.45 0.00 0.00 0.00 175.76 177.07 3ng3 s SER 62 N -2.60 2.05 0.24 0.00 0.15 -0.56 -1.90 113.70 111.08 3ng3 s SER 62 Ca 0.30 -1.58 0.09 0.00 0.70 0.00 0.00 55.95 55.46 3ng3 s SER 62 Cb -0.12 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 3ng3 s SER 62 CO 0.23 -0.88 0.01 0.68 1.20 0.00 0.00 173.24 174.49 3ng3 s VAL 63 N -3.43 3.59 -0.02 4.45 -7.23 -1.23 0.27 120.40 116.80 3ng3 s VAL 63 Ca 0.32 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3ng3 s VAL 63 Cb 0.05 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 34.10 3ng3 s VAL 63 CO 0.17 -0.31 -0.03 0.00 -0.31 0.00 0.00 175.10 174.62 3ng3 s ALA 64 N -2.16 0.36 -1.23 1.32 0.00 -0.69 -4.49 121.76 114.88 3ng3 s ALA 64 Ca 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 3ng3 s ALA 64 Cb -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3ng3 s ALA 64 CO 0.20 0.02 0.21 0.41 0.00 0.00 0.00 175.76 176.61 3ng3 n GLY 65 N 3.49 -0.23 3.41 0.00 0.00 -1.26 -1.21 105.19 109.38 3ng3 n GLY 65 Ca -0.19 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.88 2.68 -0.98 1.61 5.36 -1.26 -0.26 117.98 122.25 3ng3 s PHE 66 Ca 0.11 -0.38 0.23 0.00 -0.96 0.00 0.00 56.93 55.93 3ng3 s PHE 66 Cb -0.05 -1.68 0.15 0.00 -0.34 0.00 0.00 43.02 41.11 3ng3 s PHE 66 CO 0.13 0.01 1.16 -0.35 -1.46 0.00 0.00 175.22 174.72 3ng3 n PRO 67 N 2.73 0.02 0.07 10.12 -0.04 -1.26 -4.91 135.00 141.73 3ng3 n PRO 67 Ca -0.17 -0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 3ng3 n PRO 67 Cb 0.52 -1.51 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.00 0.35 0.00 3.54 4.64 -1.96 -3.47 113.55 116.65 3ng3 h SER 68 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3ng3 h SER 68 Cb 0.51 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3ng3 h SER 68 CO 0.00 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 3ng3 n GLY 69 N 0.46 2.62 3.04 -0.77 0.00 0.64 -4.70 105.19 106.48 3ng3 n GLY 69 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.53 -3.90 1.61 4.76 -1.26 -3.79 118.16 117.11 3ng3 n LYS 70 Ca 0.00 -3.59 -0.11 0.00 -2.87 0.00 0.00 58.31 51.74 3ng3 n LYS 70 Cb 0.00 -2.97 -0.11 0.00 -1.84 0.00 0.00 35.03 30.11 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 0.81 0.08 0.60 2.13 3.76 -1.26 -5.12 115.29 116.29 3ng3 s HIS 71 Ca 0.41 -0.17 -0.17 0.00 -0.15 0.00 0.00 55.06 54.97 3ng3 s HIS 71 Cb 0.06 -0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.65 3ng3 s HIS 71 CO 0.00 -0.18 1.11 0.14 -0.85 0.00 0.00 174.74 174.96 3ng3 s VAL 72 N -1.00 3.29 0.27 -0.90 -7.23 -1.26 -4.81 120.40 108.77 3ng3 s VAL 72 Ca -0.11 0.69 0.01 0.00 -1.81 0.00 0.00 61.98 60.76 3ng3 s VAL 72 Cb -0.06 -3.22 0.27 0.00 0.56 0.00 0.00 36.38 33.92 3ng3 s VAL 72 CO 0.00 -0.29 1.70 0.28 -0.31 0.00 0.00 175.10 176.49 3ng3 h SER 73 N 0.60 0.27 0.22 4.85 0.02 -1.97 -0.15 113.55 117.40 3ng3 h SER 73 Ca -0.48 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 3ng3 h SER 73 Cb 1.25 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 3ng3 h SER 73 CO 0.56 0.02 -0.20 0.00 -1.14 0.00 0.00 176.83 176.07 3ng3 h ALA 74 N 1.66 1.61 -0.08 3.77 0.00 -1.95 0.24 119.26 124.52 3ng3 h ALA 74 Ca 0.51 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 55.00 3ng3 h ALA 74 Cb 0.91 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ng3 h ALA 74 CO -0.50 0.25 -0.88 0.28 0.00 0.00 0.00 179.25 178.39 3ng3 h VAL 75 N 0.00 1.28 -0.45 0.00 2.07 -1.39 -1.72 116.25 116.05 3ng3 h VAL 75 Ca -0.00 -2.09 -0.07 0.00 0.82 0.00 0.00 66.70 65.36 3ng3 h VAL 75 Cb 0.36 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3ng3 h VAL 75 CO 0.03 0.65 0.02 0.11 0.02 0.00 0.00 177.57 178.40 3ng3 h LYS 76 N 0.45 0.77 -0.55 1.57 1.57 -0.87 -1.09 116.57 118.42 3ng3 h LYS 76 Ca -0.09 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3ng3 h LYS 76 Cb 1.53 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 3ng3 h LYS 76 CO 0.18 0.83 0.25 0.00 -0.57 0.00 0.00 179.45 180.14 3ng3 h ALA 77 N 0.92 0.71 0.41 3.86 0.00 -1.01 -1.52 119.26 122.63 3ng3 h ALA 77 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ng3 h ALA 77 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ng3 h ALA 77 CO 0.02 0.29 -0.20 1.25 0.00 0.00 0.00 179.25 180.61 3ng3 h HIS 78 N 0.74 -0.51 -0.79 0.00 -0.00 -1.17 -1.13 115.15 112.30 3ng3 h HIS 78 Ca 0.19 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.71 3ng3 h HIS 78 Cb 0.14 0.17 -0.11 0.00 -0.00 0.00 0.00 27.41 27.61 3ng3 h HIS 78 CO -0.00 -0.27 0.28 1.49 -0.00 0.00 0.00 177.93 179.43 3ng3 h GLU 79 N -0.65 0.36 -0.38 5.26 4.81 -1.14 -1.91 114.58 120.92 3ng3 h GLU 79 Ca -0.06 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 3ng3 h GLU 79 Cb 0.48 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3ng3 h GLU 79 CO 0.09 0.24 -0.37 0.00 -0.73 0.00 0.00 179.01 178.24 3ng3 h ALA 80 N 1.62 0.61 -0.26 2.92 0.00 -1.03 -2.48 119.26 120.63 3ng3 h ALA 80 Ca 0.45 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ng3 h ALA 80 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ng3 h ALA 80 CO -0.48 0.68 0.15 0.00 0.00 0.00 0.00 179.25 179.60 3ng3 h ALA 81 N 0.82 0.33 -0.62 0.00 0.00 -0.71 -1.79 119.26 117.28 3ng3 h ALA 81 Ca 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ng3 h ALA 81 Cb 0.96 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3ng3 h ALA 81 CO 0.09 -0.15 0.38 -0.07 0.00 0.00 0.00 179.25 179.50 3ng3 h LEU 82 N 0.31 0.61 -0.50 0.00 3.38 -1.30 -0.17 115.31 117.64 3ng3 h LEU 82 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3ng3 h LEU 82 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ng3 h LEU 82 CO -0.02 0.42 0.01 0.00 0.09 0.00 0.00 178.44 178.95 3ng3 h ALA 83 N 1.27 0.67 -0.46 1.53 0.00 -1.25 -1.40 119.26 119.63 3ng3 h ALA 83 Ca 0.25 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ng3 h ALA 83 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ng3 h ALA 83 CO -0.11 0.47 0.07 0.28 0.00 0.00 0.00 179.25 179.96 3ng3 h VAL 84 N 0.74 1.25 0.00 0.00 2.07 -1.14 0.64 116.25 119.81 3ng3 h VAL 84 Ca 0.14 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3ng3 h VAL 84 Cb 0.50 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3ng3 h VAL 84 CO 0.02 0.32 -0.13 0.00 0.02 0.00 0.00 177.57 177.80 3ng3 h ALA 85 N 0.95 1.41 -0.01 1.67 0.00 -0.87 -1.49 119.26 120.92 3ng3 h ALA 85 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ng3 h ALA 85 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ng3 h ALA 85 CO 0.01 0.17 -0.10 0.43 0.00 0.00 0.00 179.25 179.76 3ng3 n SER 86 N -3.84 0.67 0.00 0.00 7.64 -0.54 -4.91 113.62 112.64 3ng3 n SER 86 Ca -0.02 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3ng3 n SER 86 Cb 0.23 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 1.24 1.12 3.73 0.23 0.00 -0.56 -4.57 105.19 106.37 3ng3 n GLY 87 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.65 -0.14 4.61 0.00 0.19 -4.65 121.76 123.42 3ng3 s ALA 88 Ca 0.00 1.25 0.16 0.00 0.00 0.00 0.00 51.96 53.37 3ng3 s ALA 88 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3ng3 s ALA 88 CO 0.00 -0.69 1.13 0.00 0.00 0.00 0.00 175.76 176.20 3ng3 h ALA 89 N 6.19 0.65 -2.71 0.00 0.00 -0.15 -3.40 119.26 119.84 3ng3 h ALA 89 Ca -0.44 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 53.67 3ng3 h ALA 89 Cb 1.21 0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.90 3ng3 h ALA 89 CO 0.85 0.75 -0.70 -1.21 0.00 0.00 0.00 179.25 178.94 3ng3 s GLU 90 N -2.96 0.48 -0.07 0.00 2.02 -1.16 -2.18 118.70 114.83 3ng3 s GLU 90 Ca 0.01 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.13 3ng3 s GLU 90 Cb 0.08 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.39 3ng3 s GLU 90 CO 0.78 -0.05 -0.12 0.42 0.02 0.00 0.00 175.26 176.31 3ng3 s ILE 91 N -2.41 1.12 -0.45 -1.63 -1.09 0.49 -1.50 121.20 115.74 3ng3 s ILE 91 Ca -0.06 -0.46 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 3ng3 s ILE 91 Cb -0.03 -1.04 0.10 0.00 -1.58 0.00 0.00 42.46 39.91 3ng3 s ILE 91 CO -0.04 0.36 0.31 -1.81 -1.23 0.00 0.00 174.94 172.53 3ng3 s ASP 92 N 0.77 5.70 0.23 3.58 1.11 0.14 -0.67 116.67 127.53 3ng3 s ASP 92 Ca -0.13 -1.70 -0.02 0.00 0.18 0.00 0.00 52.55 50.88 3ng3 s ASP 92 Cb -0.15 -2.01 -0.04 0.00 1.07 0.00 0.00 42.92 41.78 3ng3 s ASP 92 CO 0.02 -0.62 0.44 0.00 1.18 0.00 0.00 175.17 176.19 3ng3 s MET 93 N 1.41 3.55 -0.12 8.23 0.23 0.41 -1.70 119.30 131.30 3ng3 s MET 93 Ca 0.04 -0.25 -0.03 0.00 -1.03 0.00 0.00 55.69 54.42 3ng3 s MET 93 Cb -0.25 -2.78 -0.03 0.00 -1.53 0.00 0.00 34.83 30.24 3ng3 s MET 93 CO 0.01 0.34 -0.00 0.08 -2.03 0.00 0.00 175.02 173.41 3ng3 s VAL 94 N -1.95 4.23 0.91 5.16 1.01 -0.35 0.02 120.40 129.42 3ng3 s VAL 94 Ca 0.40 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 3ng3 s VAL 94 Cb -0.11 -2.82 0.13 0.00 0.00 0.00 0.00 36.38 33.58 3ng3 s VAL 94 CO 0.30 0.55 1.13 0.27 0.00 0.00 0.00 175.10 177.34 3ng3 s ILE 95 N -0.30 2.13 -0.67 2.22 -4.36 -0.94 -4.63 121.20 114.65 3ng3 s ILE 95 Ca 0.06 0.04 -0.25 0.00 -0.26 0.00 0.00 60.65 60.24 3ng3 s ILE 95 Cb -0.12 -2.77 0.04 0.00 1.25 0.00 0.00 42.46 40.86 3ng3 s ILE 95 CO 0.02 -0.06 1.13 -0.62 0.24 0.00 0.00 174.94 175.66 3ng3 s ASP 96 N -3.96 6.22 0.28 4.36 -1.08 -1.25 -4.29 116.67 116.95 3ng3 s ASP 96 Ca 0.64 -0.52 -0.03 0.00 -0.52 0.00 0.00 52.55 52.11 3ng3 s ASP 96 Cb -0.15 -2.50 0.37 0.00 -1.46 0.00 0.00 42.92 39.18 3ng3 s ASP 96 CO 0.54 -1.60 1.90 0.58 0.52 0.00 0.00 175.17 177.11 3ng3 h VAL 97 N 6.03 1.23 -0.76 1.11 2.07 -1.85 -2.20 116.25 121.88 3ng3 h VAL 97 Ca -0.28 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3ng3 h VAL 97 Cb 1.06 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3ng3 h VAL 97 CO 1.21 0.26 0.25 1.23 0.02 0.00 0.00 177.57 180.54 3ng3 h GLY 98 N 1.11 1.26 0.67 2.17 0.00 -1.95 -1.00 103.07 105.32 3ng3 h GLY 98 Ca 0.27 -0.73 0.06 0.00 0.00 0.00 0.00 47.33 46.93 3ng3 h GLY 98 CO -0.04 0.69 0.39 0.00 0.00 0.00 0.00 176.54 177.57 3ng3 h ALA 99 N 1.14 0.93 -0.30 3.60 0.00 -1.78 0.26 119.26 123.11 3ng3 h ALA 99 Ca 0.25 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3ng3 h ALA 99 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ng3 h ALA 99 CO -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 3ng3 h ALA 100 N 1.36 0.42 -0.07 0.00 0.00 -1.10 0.18 119.26 120.04 3ng3 h ALA 100 Ca 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ng3 h ALA 100 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ng3 h ALA 100 CO -0.19 0.23 -0.05 -0.07 0.00 0.00 0.00 179.25 179.18 3ng3 h LEU 101 N 0.35 0.09 -0.02 0.00 3.38 -0.89 -1.48 115.31 116.75 3ng3 h LEU 101 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ng3 h LEU 101 Cb 0.55 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ng3 h LEU 101 CO 0.03 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3ng3 n ALA 102 N -2.51 2.19 -0.36 1.53 0.00 0.05 -4.89 120.51 116.51 3ng3 n ALA 102 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ng3 n ALA 102 Cb 0.17 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.18 0.80 2.88 0.00 0.00 -0.56 -5.00 105.19 104.48 3ng3 n GLY 103 Ca 0.06 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 0.37 5.16 0.08 1.61 2.03 0.02 -4.75 116.55 121.07 3ng3 n ASP 104 Ca 0.00 -3.13 -0.06 0.00 0.52 0.00 0.00 54.79 52.13 3ng3 n ASP 104 Cb 0.00 -1.47 0.10 0.00 -0.72 0.00 0.00 41.12 39.04 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 7.75 0.29 -1.08 -2.67 -0.00 -1.89 -2.06 115.31 115.66 3ng3 h LEU 105 Ca 0.38 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 58.06 3ng3 h LEU 105 Cb 0.63 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 3ng3 h LEU 105 CO 1.61 0.84 0.25 0.44 -0.00 0.00 0.00 178.44 181.58 3ng3 h ASP 106 N 0.18 0.82 -0.51 -0.43 3.32 -1.98 -1.24 116.42 116.59 3ng3 h ASP 106 Ca -0.01 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 3ng3 h ASP 106 Cb 1.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3ng3 h ASP 106 CO 0.10 0.74 -0.17 1.23 -1.72 0.00 0.00 179.24 179.41 3ng3 h GLY 107 N 0.99 1.10 0.97 2.75 0.00 -1.90 -0.39 103.07 106.59 3ng3 h GLY 107 Ca 0.21 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 3ng3 h GLY 107 CO -0.02 0.86 0.15 -2.08 0.00 0.00 0.00 176.54 175.45 3ng3 h VAL 108 N 0.88 1.10 -0.60 4.60 2.07 -1.18 -1.36 116.25 121.77 3ng3 h VAL 108 Ca 0.12 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ng3 h VAL 108 Cb 0.75 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3ng3 h VAL 108 CO 0.06 0.10 0.39 -0.09 0.02 0.00 0.00 177.57 178.06 3ng3 h ARG 109 N 0.32 0.78 -0.12 1.57 2.43 -1.13 -1.45 114.38 116.78 3ng3 h ARG 109 Ca 0.09 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3ng3 h ARG 109 Cb 0.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3ng3 h ARG 109 CO -0.02 0.52 -0.20 0.00 -1.51 0.00 0.00 179.97 178.76 3ng3 h ALA 110 N 1.22 1.44 -0.46 2.80 0.00 -0.92 0.18 119.26 123.52 3ng3 h ALA 110 Ca 0.22 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ng3 h ALA 110 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ng3 h ALA 110 CO -0.05 0.39 -0.04 0.22 0.00 0.00 0.00 179.25 179.77 3ng3 h ASP 111 N 0.19 0.83 0.41 0.00 3.58 -0.63 -1.08 116.42 119.73 3ng3 h ASP 111 Ca 0.03 -0.33 -0.21 0.00 0.42 0.00 0.00 57.03 56.95 3ng3 h ASP 111 Cb 0.47 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 3ng3 h ASP 111 CO 0.03 0.97 -0.87 0.40 -2.88 0.00 0.00 179.24 176.89 3ng3 h ILE 112 N 0.68 1.43 -0.48 2.25 2.04 -0.81 -3.11 117.51 119.51 3ng3 h ILE 112 Ca 0.12 -2.44 -0.06 0.00 1.00 0.00 0.00 64.86 63.49 3ng3 h ILE 112 Cb 0.56 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 3ng3 h ILE 112 CO 0.03 0.72 0.07 0.00 0.00 0.00 0.00 178.15 178.97 3ng3 h ALA 113 N 0.87 1.22 -0.57 1.87 0.00 -0.46 -0.57 119.26 121.61 3ng3 h ALA 113 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ng3 h ALA 113 Cb 1.49 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3ng3 h ALA 113 CO 0.14 0.53 0.36 0.00 0.00 0.00 0.00 179.25 180.29 3ng3 h ALA 114 N 1.35 0.73 -0.43 0.00 0.00 -1.13 -0.94 119.26 118.84 3ng3 h ALA 114 Ca 0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ng3 h ALA 114 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ng3 h ALA 114 CO 0.01 0.19 -0.20 0.28 0.00 0.00 0.00 179.25 179.53 3ng3 h VAL 115 N 0.78 1.28 -0.66 0.00 2.07 -1.46 -2.69 116.25 115.56 3ng3 h VAL 115 Ca 0.21 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.44 3ng3 h VAL 115 Cb -0.05 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3ng3 h VAL 115 CO -0.04 0.45 0.38 -0.09 0.02 0.00 0.00 177.57 178.29 3ng3 h ARG 116 N 0.71 0.70 0.00 1.57 9.65 -0.73 -0.96 114.38 125.33 3ng3 h ARG 116 Ca 0.10 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 3ng3 h ARG 116 Cb 0.76 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3ng3 h ARG 116 CO 0.06 0.46 -0.13 0.78 2.80 0.00 0.00 179.97 183.95 3ng3 h GLY 117 N 0.72 0.00 1.48 2.80 0.00 -1.04 -3.08 103.07 103.95 3ng3 h GLY 117 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 3ng3 h GLY 117 CO -0.16 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.46 3ng3 h ALA 118 N 1.87 0.66 -0.02 3.60 0.00 -0.85 -3.36 119.26 121.16 3ng3 h ALA 118 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3ng3 h ALA 118 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ng3 h ALA 118 CO 0.02 0.69 -0.13 1.33 0.00 0.00 0.00 179.25 181.16 3ng3 n VAL 119 N -3.03 0.00 0.00 0.00 0.24 -1.00 -4.45 118.33 110.09 3ng3 n VAL 119 Ca -0.03 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3ng3 n VAL 119 Cb 0.76 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.35 3ng3 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ng3 n GLY 120 N 1.34 4.24 0.70 7.63 0.00 -1.24 -2.47 105.19 115.39 3ng3 n GLY 120 Ca 0.14 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.43 3ng3 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 121 N 0.00 0.58 3.72 -0.02 0.00 -1.26 -4.93 105.19 103.28 3ng3 n GLY 121 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3ng3 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 122 N -1.80 2.10 -0.01 4.61 0.00 -1.03 -4.94 121.76 120.68 3ng3 s ALA 122 Ca 0.34 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 3ng3 s ALA 122 Cb 0.20 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3ng3 s ALA 122 CO 0.29 -1.91 1.29 0.08 0.00 0.00 0.00 175.76 175.51 3ng3 s VAL 123 N -2.02 3.97 -0.22 0.00 1.01 -0.93 -4.93 120.40 117.28 3ng3 s VAL 123 Ca 0.74 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 64.03 3ng3 s VAL 123 Cb -0.29 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3ng3 s VAL 123 CO 0.46 0.01 -0.06 -0.22 0.00 0.00 0.00 175.10 175.29 3ng3 s LEU 124 N 2.11 2.88 -0.12 3.92 2.96 -1.26 -0.38 118.68 128.79 3ng3 s LEU 124 Ca 0.60 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3ng3 s LEU 124 Cb -0.28 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3ng3 s LEU 124 CO 0.25 -0.04 0.00 -0.54 -1.32 0.00 0.00 176.35 174.70 3ng3 s LYS 125 N 1.43 3.31 -0.26 1.98 1.02 0.15 -0.14 119.74 127.23 3ng3 s LYS 125 Ca 0.05 -0.42 -0.05 0.00 0.02 0.00 0.00 55.97 55.57 3ng3 s LYS 125 Cb -0.15 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 3ng3 s LYS 125 CO -0.05 0.53 0.01 0.08 -0.92 0.00 0.00 175.35 175.01 3ng3 s VAL 126 N -0.40 3.65 -0.29 3.17 1.01 -0.40 -0.44 120.40 126.69 3ng3 s VAL 126 Ca 0.08 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3ng3 s VAL 126 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3ng3 s VAL 126 CO 0.02 0.25 0.86 -0.63 0.00 0.00 0.00 175.10 175.61 3ng3 s ILE 127 N 1.48 4.74 -1.18 2.22 1.01 0.10 -0.72 121.20 128.86 3ng3 s ILE 127 Ca 0.04 1.41 0.24 0.00 0.00 0.00 0.00 60.65 62.34 3ng3 s ILE 127 Cb -0.16 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3ng3 s ILE 127 CO -0.00 -0.26 1.28 1.33 0.00 0.00 0.00 174.94 177.29 3ng3 n VAL 128 N 5.53 0.00 -3.64 2.92 0.24 -0.05 -2.22 118.33 121.12 3ng3 n VAL 128 Ca 0.06 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.34 62.03 3ng3 n VAL 128 Cb 0.48 0.54 0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.27 -1.49 -0.33 7.34 4.07 -0.23 -4.74 120.64 124.00 3ng3 n GLU 129 Ca 0.06 0.51 0.10 0.00 -0.06 0.00 0.00 57.16 57.77 3ng3 n GLU 129 Cb 0.34 -4.37 0.31 0.00 -0.06 0.00 0.00 31.44 27.67 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 -1.80 0.80 0.73 4.31 4.64 -1.08 -0.57 113.55 120.58 3ng3 h SER 130 Ca -0.66 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.69 3ng3 h SER 130 Cb 1.35 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ng3 h SER 130 CO 0.48 0.39 -0.12 0.77 -0.87 0.00 0.00 176.83 177.48 3ng3 h SER 131 N 0.84 0.00 0.28 4.97 4.64 -1.80 0.76 113.55 123.24 3ng3 h SER 131 Ca 0.50 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.48 3ng3 h SER 131 Cb 0.67 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.77 3ng3 h SER 131 CO -0.27 0.12 -1.60 0.00 -0.87 0.00 0.00 176.83 174.21 3ng3 h ALA 132 N 1.88 0.05 -0.51 5.18 0.00 -1.43 -2.41 119.26 122.01 3ng3 h ALA 132 Ca -0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 54.91 53.79 3ng3 h ALA 132 Cb 0.51 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3ng3 h ALA 132 CO 0.02 0.91 -0.09 -0.07 0.00 0.00 0.00 179.25 180.02 3ng3 h LEU 133 N 0.12 0.97 -0.44 0.00 3.38 -0.84 -0.35 115.31 118.15 3ng3 h LEU 133 Ca -0.29 -0.35 -0.18 0.00 0.09 0.00 0.00 57.88 57.16 3ng3 h LEU 133 Cb 2.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 3ng3 h LEU 133 CO 0.22 1.09 -0.74 -0.07 0.09 0.00 0.00 178.44 179.02 3ng3 h LEU 134 N 0.83 0.35 -0.43 1.67 3.38 -1.00 0.10 115.31 120.22 3ng3 h LEU 134 Ca 0.13 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 3ng3 h LEU 134 Cb 0.65 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3ng3 h LEU 134 CO 0.04 0.97 -0.43 0.00 0.09 0.00 0.00 178.44 179.11 3ng3 h ALA 135 N 1.02 0.61 0.00 1.53 0.00 -1.25 -3.37 119.26 117.80 3ng3 h ALA 135 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ng3 h ALA 135 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ng3 h ALA 135 CO 0.12 0.68 -1.64 1.28 0.00 0.00 0.00 179.25 179.68 3ng3 n LEU 136 N -4.03 0.15 0.00 0.00 4.77 -0.16 -4.96 117.00 112.77 3ng3 n LEU 136 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3ng3 n LEU 136 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3ng3 n LEU 136 CO 0.48 0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.58 3ng3 n ALA 137 N -2.00 0.00 -3.82 -1.18 0.00 0.33 -5.05 120.51 108.79 3ng3 n ALA 137 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 3ng3 n ALA 137 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.09 0.24 0.00 1.47 -1.06 -4.86 116.67 113.37 3ng3 s ASP 138 Ca 0.00 -0.71 -0.07 0.00 1.18 0.00 0.00 52.55 52.96 3ng3 s ASP 138 Cb 0.00 0.62 0.27 0.00 -0.34 0.00 0.00 42.92 43.47 3ng3 s ASP 138 CO 0.00 -1.20 1.89 -0.33 0.68 0.00 0.00 175.17 176.20 3ng3 h GLU 139 N 2.00 1.09 -0.41 2.11 5.08 -1.90 -2.04 114.58 120.52 3ng3 h GLU 139 Ca -0.26 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3ng3 h GLU 139 Cb 1.23 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3ng3 h GLU 139 CO 0.32 0.72 0.19 1.25 -1.00 0.00 0.00 179.01 180.49 3ng3 h HIS 140 N 1.12 0.55 -0.32 4.33 2.76 -1.98 -1.10 115.15 120.52 3ng3 h HIS 140 Ca 0.35 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.37 3ng3 h HIS 140 Cb -0.01 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3ng3 h HIS 140 CO -0.02 0.41 -0.36 1.15 -1.30 0.00 0.00 177.93 177.82 3ng3 h THR 141 N 0.57 1.29 -0.41 6.26 2.02 -1.75 -0.39 112.91 120.49 3ng3 h THR 141 Ca 0.14 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 3ng3 h THR 141 Cb 0.06 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3ng3 h THR 141 CO -0.02 0.49 0.14 0.25 0.37 0.00 0.00 175.52 176.76 3ng3 h LEU 142 N 0.60 0.59 -0.52 2.58 5.85 -1.00 -1.71 115.31 121.70 3ng3 h LEU 142 Ca 0.06 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3ng3 h LEU 142 Cb 0.89 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3ng3 h LEU 142 CO 0.08 0.62 0.31 0.58 -0.34 0.00 0.00 178.44 179.69 3ng3 h VAL 143 N 0.52 1.05 -0.56 1.05 2.07 -1.01 -1.77 116.25 117.60 3ng3 h VAL 143 Ca 0.13 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3ng3 h VAL 143 Cb 0.23 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3ng3 h VAL 143 CO -0.01 0.11 0.35 0.03 0.02 0.00 0.00 177.57 178.07 3ng3 h ARG 144 N 0.62 0.68 -0.48 1.57 3.08 -0.83 -1.35 114.38 117.67 3ng3 h ARG 144 Ca 0.21 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3ng3 h ARG 144 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3ng3 h ARG 144 CO -0.10 0.45 0.25 0.28 -1.07 0.00 0.00 179.97 179.78 3ng3 h VAL 145 N 0.70 1.18 -0.33 2.04 2.07 -0.99 -1.33 116.25 119.58 3ng3 h VAL 145 Ca 0.22 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.30 3ng3 h VAL 145 Cb -0.02 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3ng3 h VAL 145 CO -0.08 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.82 3ng3 h ARG 147 N 0.26 1.30 -0.97 0.00 3.08 -1.01 -1.50 114.38 115.54 3ng3 h ARG 147 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ng3 h ARG 147 Cb 0.11 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 3ng3 h ARG 147 CO -0.15 0.90 0.62 0.00 -1.07 0.00 0.00 179.97 180.28 3ng3 h ALA 148 N 1.33 1.27 -0.44 0.04 0.00 -0.87 0.32 119.26 120.91 3ng3 h ALA 148 Ca 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ng3 h ALA 148 Cb -0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 3ng3 h ALA 148 CO -0.07 0.66 0.15 0.00 0.00 0.00 0.00 179.25 179.99 3ng3 h ALA 149 N 1.37 0.57 -0.64 0.00 0.00 -0.49 -0.80 119.26 119.27 3ng3 h ALA 149 Ca 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ng3 h ALA 149 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3ng3 h ALA 149 CO -0.07 0.21 0.24 1.49 0.00 0.00 0.00 179.25 181.11 3ng3 h GLU 150 N 0.57 0.98 -0.43 0.00 4.81 -0.93 -0.65 114.58 118.93 3ng3 h GLU 150 Ca 0.14 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3ng3 h GLU 150 Cb 0.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3ng3 h GLU 150 CO -0.01 0.83 0.11 -0.44 -0.73 0.00 0.00 179.01 178.78 3ng3 h ASP 151 N 0.91 0.58 -0.00 1.04 3.32 -0.44 -1.88 116.42 119.96 3ng3 h ASP 151 Ca 0.21 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ng3 h ASP 151 Cb 0.24 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3ng3 h ASP 151 CO -0.01 0.58 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 3ng3 n ALA 152 N -2.47 2.68 -0.32 3.45 0.00 -0.35 -4.90 120.51 118.59 3ng3 n ALA 152 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3ng3 n ALA 152 Cb 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 0.98 0.82 3.72 0.00 0.00 -0.70 -4.40 105.19 105.61 3ng3 n GLY 153 Ca 0.23 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3ng3 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 154 N -2.00 2.09 -0.09 4.61 0.00 -0.27 -4.92 121.76 121.18 3ng3 s ALA 154 Ca 0.00 0.88 0.21 0.00 0.00 0.00 0.00 51.96 53.05 3ng3 s ALA 154 Cb 0.00 -3.47 -0.30 0.00 0.00 0.00 0.00 23.12 19.35 3ng3 s ALA 154 CO 0.00 -1.92 0.40 -0.25 0.00 0.00 0.00 175.76 173.99 3ng3 n ASP 155 N -2.77 0.06 -3.98 0.00 8.00 0.80 -4.75 116.55 113.91 3ng3 n ASP 155 Ca 0.13 0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 3ng3 n ASP 155 Cb 0.50 1.61 -0.11 0.00 -0.02 0.00 0.00 41.12 43.10 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 -3.21 0.27 -0.01 1.24 0.08 -0.69 -1.23 117.98 114.44 3ng3 s PHE 156 Ca -0.08 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.42 3ng3 s PHE 156 Cb 0.11 -0.20 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 3ng3 s PHE 156 CO 0.88 -0.23 -0.06 0.14 -0.10 0.00 0.00 175.22 175.85 3ng3 s VAL 157 N -1.85 3.73 -0.01 -0.44 -7.23 -0.77 -1.28 120.40 112.56 3ng3 s VAL 157 Ca -0.12 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 3ng3 s VAL 157 Cb -0.07 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.26 3ng3 s VAL 157 CO -0.02 0.41 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.41 3ng3 s LYS 158 N -1.37 0.31 0.02 4.82 2.20 0.10 -0.56 119.74 125.25 3ng3 s LYS 158 Ca 0.17 -0.07 -0.26 0.00 -0.36 0.00 0.00 55.97 55.45 3ng3 s LYS 158 Cb -0.11 -0.35 -0.16 0.00 -1.51 0.00 0.00 37.83 35.70 3ng3 s LYS 158 CO 0.07 0.02 1.26 1.79 -0.36 0.00 0.00 175.35 178.12 3ng3 h THR 159 N 5.40 0.58 -3.26 3.43 1.35 -1.59 -0.10 112.91 118.73 3ng3 h THR 159 Ca -0.31 -0.50 -0.11 0.00 -0.55 0.00 0.00 66.41 64.94 3ng3 h THR 159 Cb 1.18 0.81 -0.19 0.00 -1.73 0.00 0.00 68.15 68.23 3ng3 h THR 159 CO 0.50 0.09 -0.31 -0.44 -0.25 0.00 0.00 175.52 175.11 3ng3 s SER 160 N -4.95 -0.11 0.20 5.36 0.01 -1.26 -0.49 113.70 112.46 3ng3 s SER 160 Ca -0.14 -0.11 0.11 0.00 1.31 0.00 0.00 55.95 57.11 3ng3 s SER 160 Cb 0.02 0.31 -0.06 0.00 0.21 0.00 0.00 66.02 66.51 3ng3 s SER 160 CO 0.53 -0.52 1.37 0.71 0.41 0.00 0.00 173.24 175.75 3ng3 h THR 161 N 3.61 1.30 0.00 1.44 1.35 -1.89 -3.42 112.91 115.30 3ng3 h THR 161 Ca -0.31 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 62.74 3ng3 h THR 161 Cb 1.19 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 3ng3 h THR 161 CO 0.44 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 177.05 3ng3 n GLY 162 N 1.26 0.71 0.00 5.82 0.00 -1.26 -4.89 105.19 106.83 3ng3 n GLY 162 Ca 0.01 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 -2.49 0.00 -3.03 1.61 3.72 -1.26 -4.96 117.46 111.05 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 -0.67 3.80 0.44 1.38 2.46 -1.26 -4.97 115.29 116.47 3ng3 s HIS 164 Ca 0.00 1.49 0.39 0.00 0.47 0.00 0.00 55.06 57.41 3ng3 s HIS 164 Cb 0.00 -2.75 1.96 0.00 -0.13 0.00 0.00 32.58 31.66 3ng3 s HIS 164 CO 0.00 0.40 2.21 -1.35 -2.47 0.00 0.00 174.74 173.53 3ng3 h PRO 165 N 5.06 0.00 0.00 2.88 0.11 -2.01 -1.89 132.00 136.15 3ng3 h PRO 165 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ng3 h PRO 165 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ng3 h PRO 165 CO 0.68 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 3ng3 h SER 166 N 0.00 0.00 0.00 -2.05 4.64 -1.93 -3.48 113.55 110.73 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 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 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 -0.63 0.43 0.00 -0.77 0.00 -0.71 -4.78 105.19 98.72 3ng3 n GLY 167 Ca -0.01 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 4.87 3.75 -0.02 0.00 -1.26 -4.55 105.19 107.98 3ng3 n GLY 168 Ca 0.00 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 3.43 0.16 4.61 0.00 -0.88 -4.42 121.76 122.66 3ng3 s ALA 169 Ca 0.00 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.01 3ng3 s ALA 169 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3ng3 s ALA 169 CO 0.00 -0.28 -0.21 -1.54 0.00 0.00 0.00 175.76 173.73 3ng3 s SER 170 N -0.53 2.97 0.20 0.00 1.04 -1.26 -5.00 113.70 111.12 3ng3 s SER 170 Ca 0.47 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 3ng3 s SER 170 Cb -0.33 -0.19 0.19 0.00 0.10 0.00 0.00 66.02 65.78 3ng3 s SER 170 CO 0.41 0.05 1.82 0.58 0.98 0.00 0.00 173.24 177.07 3ng3 h VAL 171 N 3.38 1.01 -0.72 5.02 2.07 -1.96 -0.80 116.25 124.26 3ng3 h VAL 171 Ca -0.45 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3ng3 h VAL 171 Cb 1.20 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3ng3 h VAL 171 CO 0.48 0.13 0.30 -0.09 0.02 0.00 0.00 177.57 178.40 3ng3 h ARG 172 N 0.69 1.07 -0.18 1.57 2.43 -1.98 -0.69 114.38 117.29 3ng3 h ARG 172 Ca 0.27 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3ng3 h ARG 172 Cb 0.11 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3ng3 h ARG 172 CO -0.14 0.87 0.06 0.00 -1.51 0.00 0.00 179.97 179.25 3ng3 h ALA 173 N 1.14 0.24 -0.51 2.80 0.00 -1.83 -0.84 119.26 120.26 3ng3 h ALA 173 Ca 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ng3 h ALA 173 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ng3 h ALA 173 CO -0.02 -0.14 0.33 0.28 0.00 0.00 0.00 179.25 179.69 3ng3 h VAL 174 N 0.11 1.10 -0.45 0.00 2.07 -0.82 -1.29 116.25 116.98 3ng3 h VAL 174 Ca 0.06 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3ng3 h VAL 174 Cb 0.23 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3ng3 h VAL 174 CO -0.00 0.12 0.07 0.00 0.02 0.00 0.00 177.57 177.78 3ng3 h ALA 175 N 1.20 0.59 -0.83 1.67 0.00 -1.01 0.11 119.26 121.00 3ng3 h ALA 175 Ca 0.19 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ng3 h ALA 175 Cb -0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3ng3 h ALA 175 CO -0.06 0.32 0.52 -0.07 0.00 0.00 0.00 179.25 179.96 3ng3 h LEU 176 N 0.60 0.84 -0.39 0.00 3.38 -0.87 -2.06 115.31 116.82 3ng3 h LEU 176 Ca 0.13 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 3ng3 h LEU 176 Cb 0.39 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ng3 h LEU 176 CO 0.01 0.57 -0.60 0.24 0.09 0.00 0.00 178.44 178.75 3ng3 h MET 177 N 0.99 0.68 -0.49 1.13 2.86 -0.88 -2.01 114.93 117.20 3ng3 h MET 177 Ca 0.34 -0.46 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 3ng3 h MET 177 Cb 0.07 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3ng3 h MET 177 CO -0.14 1.08 -0.16 0.00 1.06 0.00 0.00 176.91 178.75 3ng3 h ALA 178 N 0.82 0.77 -0.59 6.32 0.00 -0.76 -2.27 119.26 123.55 3ng3 h ALA 178 Ca -0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3ng3 h ALA 178 Cb 1.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3ng3 h ALA 178 CO 0.12 0.66 0.09 1.49 0.00 0.00 0.00 179.25 181.61 3ng3 h GLU 179 N 0.85 0.95 0.00 0.00 4.22 -1.26 -1.48 114.58 117.86 3ng3 h GLU 179 Ca 0.12 -0.24 -0.03 0.00 0.08 0.00 0.00 59.36 59.29 3ng3 h GLU 179 Cb 0.72 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3ng3 h GLU 179 CO 0.06 0.88 -0.16 0.00 -2.18 0.00 0.00 179.01 177.61 3ng3 h ALA 180 N 1.19 1.26 -0.00 2.92 0.00 -0.82 -2.75 119.26 121.07 3ng3 h ALA 180 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ng3 h ALA 180 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ng3 h ALA 180 CO 0.01 0.20 -0.53 1.33 0.00 0.00 0.00 179.25 180.26 3ng3 n VAL 181 N -3.66 0.00 -3.30 0.00 0.24 -0.94 -4.67 118.33 106.01 3ng3 n VAL 181 Ca -0.02 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.34 61.81 3ng3 n VAL 181 Cb 0.28 1.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.73 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 1.24 -0.50 2.63 7.63 0.00 -0.57 -1.53 105.19 114.09 3ng3 n GLY 182 Ca 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.40 0.33 0.12 -0.02 0.00 -1.26 -4.87 105.19 98.08 3ng3 n GLY 183 Ca -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 0.30 0.00 -6.34 1.61 3.08 -1.65 -3.46 114.38 107.92 3ng3 h ARG 184 Ca -0.04 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.41 3ng3 h ARG 184 Cb 0.69 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.56 3ng3 h ARG 184 CO 0.05 0.29 -0.80 -0.51 -1.07 0.00 0.00 179.97 177.93 3ng3 s LEU 185 N -5.94 2.45 0.84 3.04 1.02 -1.26 -5.04 118.68 113.81 3ng3 s LEU 185 Ca 0.00 -0.89 -0.11 0.00 0.02 0.00 0.00 54.13 53.15 3ng3 s LEU 185 Cb 0.08 -1.05 0.10 0.00 0.02 0.00 0.00 46.19 45.34 3ng3 s LEU 185 CO 0.78 0.06 1.09 -0.83 0.02 0.00 0.00 176.35 177.47 3ng3 s GLY 186 N -2.77 1.63 -0.16 -3.19 0.00 -0.36 -4.89 107.32 97.57 3ng3 s GLY 186 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.85 3ng3 s GLY 186 CO 0.09 0.37 -0.12 0.14 0.00 0.00 0.00 173.10 173.59 3ng3 s VAL 187 N -3.01 1.50 -0.25 1.40 1.01 -1.26 -1.84 120.40 117.96 3ng3 s VAL 187 Ca 0.62 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 3ng3 s VAL 187 Cb -0.17 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3ng3 s VAL 187 CO 0.56 0.36 0.12 -0.75 0.00 0.00 0.00 175.10 175.39 3ng3 s LYS 188 N 1.50 3.83 -0.10 2.72 2.20 0.27 0.12 119.74 130.28 3ng3 s LYS 188 Ca 0.03 -0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.14 3ng3 s LYS 188 Cb -0.14 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 3ng3 s LYS 188 CO -0.10 -0.11 0.24 0.00 -0.36 0.00 0.00 175.35 175.03 3ng3 s ALA 189 N 1.46 3.75 0.05 3.13 0.00 -0.53 -1.64 121.76 127.99 3ng3 s ALA 189 Ca 0.06 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.30 3ng3 s ALA 189 Cb -0.15 -2.19 0.06 0.00 0.00 0.00 0.00 23.12 20.84 3ng3 s ALA 189 CO 0.06 0.43 0.55 -1.54 0.00 0.00 0.00 175.76 175.26 3ng3 s SER 190 N -0.61 -0.48 0.00 0.00 1.04 -1.26 -0.88 113.70 111.50 3ng3 s SER 190 Ca 0.17 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.82 3ng3 s SER 190 Cb -0.13 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3ng3 s SER 190 CO 0.06 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.15 3ng3 n GLY 191 N 0.37 -0.39 2.16 7.32 0.00 -1.25 -2.21 105.19 111.18 3ng3 n GLY 191 Ca -0.18 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 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 1.98 0.58 3.44 -0.02 0.00 -1.26 -2.08 105.19 107.82 3ng3 n GLY 192 Ca 0.00 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.01 4.65 -0.09 -0.61 1.01 -1.26 -4.86 121.20 118.04 3ng3 s ILE 193 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.20 3ng3 s ILE 193 Cb 0.00 -4.49 -0.07 0.00 0.01 0.00 0.00 42.46 37.91 3ng3 s ILE 193 CO 0.00 -1.11 0.15 0.54 0.00 0.00 0.00 174.94 174.51 3ng3 n ARG 194 N 6.79 1.99 -4.23 2.79 1.74 -1.26 -4.79 116.66 119.70 3ng3 n ARG 194 Ca -0.06 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 3ng3 n ARG 194 Cb 0.45 -0.98 -0.10 0.00 -1.02 0.00 0.00 32.46 30.80 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 -2.04 1.07 0.22 0.55 -4.23 -1.26 -4.29 115.64 105.65 3ng3 s THR 195 Ca -0.01 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 3ng3 s THR 195 Cb 0.03 -1.77 0.17 0.00 1.34 0.00 0.00 72.50 72.27 3ng3 s THR 195 CO 0.21 -0.75 1.74 0.00 -0.54 0.00 0.00 174.62 175.28 3ng3 h ALA 196 N 2.89 0.88 -0.81 3.99 0.00 -1.83 -1.86 119.26 122.52 3ng3 h ALA 196 Ca -0.36 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3ng3 h ALA 196 Cb 1.19 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3ng3 h ALA 196 CO 0.63 -0.18 0.53 0.00 0.00 0.00 0.00 179.25 180.23 3ng3 h ALA 197 N 1.45 1.44 0.36 0.00 0.00 -1.92 0.33 119.26 120.92 3ng3 h ALA 197 Ca 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3ng3 h ALA 197 Cb 0.44 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ng3 h ALA 197 CO -0.33 0.52 -0.17 -0.44 0.00 0.00 0.00 179.25 178.82 3ng3 h ASP 198 N 1.08 -0.41 -0.11 0.00 3.32 -1.85 0.51 116.42 118.95 3ng3 h ASP 198 Ca 0.30 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.35 3ng3 h ASP 198 Cb -0.10 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3ng3 h ASP 198 CO -0.07 -0.22 -0.26 0.00 -1.72 0.00 0.00 179.24 176.97 3ng3 h ALA 199 N 0.04 -0.27 -0.40 3.45 0.00 -0.57 -1.69 119.26 119.81 3ng3 h ALA 199 Ca -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ng3 h ALA 199 Cb 0.43 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ng3 h ALA 199 CO 0.08 -0.73 0.04 -0.07 0.00 0.00 0.00 179.25 178.57 3ng3 h LEU 200 N -0.34 0.58 -1.13 0.00 3.38 -0.35 -1.97 115.31 115.49 3ng3 h LEU 200 Ca 0.09 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ng3 h LEU 200 Cb 0.48 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3ng3 h LEU 200 CO -0.30 0.62 0.59 0.00 0.09 0.00 0.00 178.44 179.44 3ng3 h ALA 201 N 1.45 1.38 -0.14 1.53 0.00 -0.08 -1.27 119.26 122.13 3ng3 h ALA 201 Ca 0.13 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3ng3 h ALA 201 Cb 0.31 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ng3 h ALA 201 CO 0.01 0.57 -0.77 0.52 0.00 0.00 0.00 179.25 179.58 3ng3 h MET 202 N 1.19 0.76 -0.63 0.00 2.86 -0.71 -1.89 114.93 116.51 3ng3 h MET 202 Ca 0.33 -0.64 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 3ng3 h MET 202 Cb -0.11 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3ng3 h MET 202 CO -0.08 1.24 0.20 -0.07 1.06 0.00 0.00 176.91 179.26 3ng3 h LEU 203 N 0.48 0.91 -1.23 1.22 3.38 -1.28 0.62 115.31 119.41 3ng3 h LEU 203 Ca -0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3ng3 h LEU 203 Cb 1.41 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3ng3 h LEU 203 CO 0.16 0.88 -0.06 0.44 0.09 0.00 0.00 178.44 179.94 3ng3 h ASP 204 N 0.90 0.42 0.86 -0.43 3.32 -1.23 -2.12 116.42 118.14 3ng3 h ASP 204 Ca 0.20 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ng3 h ASP 204 Cb 0.29 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3ng3 h ASP 204 CO -0.01 0.54 0.00 0.00 -1.72 0.00 0.00 179.24 178.05 3ng3 n ALA 205 N -2.48 1.81 0.00 3.45 0.00 -0.71 -4.89 120.51 117.69 3ng3 n ALA 205 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3ng3 n ALA 205 Cb 0.27 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.32 1.15 3.77 0.00 0.00 -0.80 -3.67 105.19 105.96 3ng3 n GLY 206 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.87 3.33 -0.62 4.61 0.00 0.15 -4.60 121.76 122.76 3ng3 s ALA 207 Ca 0.00 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.27 3ng3 s ALA 207 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.68 3ng3 s ALA 207 CO 0.00 -0.79 0.73 0.25 0.00 0.00 0.00 175.76 175.95 3ng3 n THR 208 N 0.30 0.13 -3.72 0.00 -2.24 0.12 -4.47 114.28 104.40 3ng3 n THR 208 Ca 0.03 -0.57 -0.14 0.00 -2.27 0.00 0.00 64.05 61.10 3ng3 n THR 208 Cb 0.43 1.03 -0.08 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 -0.51 0.75 -0.03 -0.78 6.06 -1.02 -4.89 118.95 118.53 3ng3 s ARG 209 Ca 0.07 -0.20 0.05 0.00 -2.50 0.00 0.00 55.73 53.16 3ng3 s ARG 209 Cb 0.05 0.34 -0.01 0.00 0.06 0.00 0.00 34.95 35.38 3ng3 s ARG 209 CO 0.07 -0.22 -0.19 -0.51 -2.50 0.00 0.00 175.30 171.94 3ng3 s LEU 210 N -1.46 1.99 -0.35 -0.88 1.43 0.82 -1.46 118.68 118.77 3ng3 s LEU 210 Ca -0.12 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 3ng3 s LEU 210 Cb -0.04 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.16 3ng3 s LEU 210 CO 0.03 0.21 0.20 -0.83 0.23 0.00 0.00 176.35 176.19 3ng3 s GLY 211 N -0.23 1.92 -0.01 -3.19 0.00 -0.06 -0.33 107.32 105.42 3ng3 s GLY 211 Ca 0.02 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.21 3ng3 s GLY 211 CO 0.01 0.80 -0.15 1.08 0.00 0.00 0.00 173.10 174.83 3ng3 s LEU 212 N 1.61 2.01 -0.15 0.66 1.43 -0.88 -3.97 118.68 119.39 3ng3 s LEU 212 Ca 0.04 -0.28 0.13 0.00 -1.03 0.00 0.00 54.13 52.98 3ng3 s LEU 212 Cb -0.18 -0.80 -0.24 0.00 0.03 0.00 0.00 46.19 45.01 3ng3 s LEU 212 CO 0.07 0.18 0.26 -1.54 0.23 0.00 0.00 176.35 175.55 3ng3 n SER 213 N 2.76 0.66 -3.20 2.29 3.41 -1.26 -1.29 113.62 116.98 3ng3 n SER 213 Ca -0.15 0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.24 3ng3 n SER 213 Cb 0.55 0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.86 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 1.76 5.88 0.28 5.00 0.00 -1.26 -4.72 105.19 112.13 3ng3 n GLY 214 Ca -0.29 -2.63 -0.07 0.00 0.00 0.00 0.00 46.02 43.03 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 2.39 1.23 -0.31 2.61 2.02 -1.94 -2.82 112.91 116.09 3ng3 h THR 215 Ca 0.42 -0.67 0.07 0.00 0.77 0.00 0.00 66.41 67.00 3ng3 h THR 215 Cb 0.37 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 3ng3 h THR 215 CO 1.11 0.27 -0.13 -0.09 0.37 0.00 0.00 175.52 177.05 3ng3 h ARG 216 N 0.92 -0.08 -0.23 6.66 2.43 -1.99 0.87 114.38 122.97 3ng3 h ARG 216 Ca 0.22 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3ng3 h ARG 216 Cb 0.15 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3ng3 h ARG 216 CO -0.03 -0.05 0.02 0.00 -1.51 0.00 0.00 179.97 178.40 3ng3 h ALA 217 N 1.18 1.60 -0.20 2.80 0.00 -1.86 -0.74 119.26 122.05 3ng3 h ALA 217 Ca 0.16 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3ng3 h ALA 217 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ng3 h ALA 217 CO -0.37 0.30 -0.47 0.28 0.00 0.00 0.00 179.25 178.99 3ng3 h VAL 218 N 0.33 1.32 0.06 0.00 2.07 -1.22 -3.22 116.25 115.58 3ng3 h VAL 218 Ca 0.08 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3ng3 h VAL 218 Cb 0.20 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3ng3 h VAL 218 CO 0.00 0.53 -0.03 -0.07 0.02 0.00 0.00 177.57 178.03 3ng3 h LEU 219 N 0.36 -0.06 -1.41 2.57 3.38 0.07 -2.35 115.31 117.86 3ng3 h LEU 219 Ca -0.00 -0.27 0.42 0.00 0.09 0.00 0.00 57.88 58.11 3ng3 h LEU 219 Cb 1.08 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 3ng3 h LEU 219 CO 0.10 0.24 0.84 0.44 0.09 0.00 0.00 178.44 180.15 3ng3 h ASP 220 N -0.38 0.26 0.00 -0.43 3.32 -1.30 -3.46 116.42 114.43 3ng3 h ASP 220 Ca -0.01 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3ng3 h ASP 220 Cb 0.33 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3ng3 h ASP 220 CO 0.01 -0.15 0.00 0.61 -1.72 0.00 0.00 179.24 177.99