#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ng1 n GLN 3 N 0.00 -0.08 0.41 -1.08 -0.06 -1.26 -1.31 117.38 114.00 2ng1 n GLN 3 Ca 0.00 0.98 -0.18 0.00 -2.00 0.00 0.00 57.00 55.79 2ng1 n GLN 3 Cb 0.00 -1.46 -0.09 0.00 -4.06 0.00 0.00 30.24 24.63 2ng1 n GLN 3 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 2ng1 h GLN 4 N 0.00 -0.98 -0.37 3.69 4.15 -1.93 -2.27 115.11 117.41 2ng1 h GLN 4 Ca 0.28 0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.85 2ng1 h GLN 4 Cb 0.44 0.22 -0.08 0.00 0.21 0.00 0.00 27.48 28.27 2ng1 h GLN 4 CO -0.64 -0.65 -0.16 1.25 -1.93 0.00 0.00 178.83 176.70 2ng1 h LEU 5 N -1.05 -0.55 0.16 -2.39 5.85 -1.44 -1.27 115.31 114.62 2ng1 h LEU 5 Ca -0.10 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2ng1 h LEU 5 Cb 0.79 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2ng1 h LEU 5 CO 0.17 -0.20 -0.17 0.28 -0.34 0.00 0.00 178.44 178.18 2ng1 h SER 6 N -0.09 -0.47 -0.06 1.25 0.02 -1.43 0.49 113.55 113.27 2ng1 h SER 6 Ca 0.18 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2ng1 h SER 6 Cb 0.37 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 2ng1 h SER 6 CO -0.43 -0.26 -0.48 0.00 -1.14 0.00 0.00 176.83 174.52 2ng1 h ALA 7 N 0.43 -0.88 -0.26 3.77 0.00 -1.02 0.34 119.26 121.64 2ng1 h ALA 7 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2ng1 h ALA 7 Cb 0.36 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2ng1 h ALA 7 CO -0.06 -1.04 -0.06 0.00 0.00 0.00 0.00 179.25 178.10 2ng1 h ARG 8 N -0.56 0.41 -0.35 0.00 3.08 -1.19 -2.15 114.38 113.61 2ng1 h ARG 8 Ca 0.02 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 2ng1 h ARG 8 Cb 0.63 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2ng1 h ARG 8 CO -0.35 0.48 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.68 2ng1 h LEU 9 N 0.39 0.86 -1.52 3.04 3.38 -0.32 -0.77 115.31 120.38 2ng1 h LEU 9 Ca 0.08 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ng1 h LEU 9 Cb 0.35 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2ng1 h LEU 9 CO 0.02 1.13 -0.02 1.56 0.09 0.00 0.00 178.44 181.21 2ng1 h GLN 10 N 0.61 0.00 0.25 1.13 4.20 -0.11 -2.50 115.11 118.69 2ng1 h GLN 10 Ca 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2ng1 h GLN 10 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2ng1 h GLN 10 CO 0.07 0.02 -0.12 1.49 -0.67 0.00 0.00 178.83 179.62 2ng1 h GLU 11 N 0.00 -0.33 -1.01 1.46 4.57 -1.11 -0.71 114.58 117.45 2ng1 h GLU 11 Ca -0.00 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 58.46 2ng1 h GLU 11 Cb 0.50 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 2ng1 h GLU 11 CO 0.00 -0.22 0.67 0.00 -1.18 0.00 0.00 179.01 178.29 2ng1 h ALA 12 N -1.12 2.41 -0.01 2.92 0.00 -1.03 0.29 119.26 122.73 2ng1 h ALA 12 Ca -0.03 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2ng1 h ALA 12 Cb 0.26 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ng1 h ALA 12 CO 0.06 -0.76 -0.27 0.82 0.00 0.00 0.00 179.25 179.09 2ng1 h ILE 13 N 0.30 1.53 -0.55 0.00 1.08 -1.50 -3.10 117.51 115.26 2ng1 h ILE 13 Ca 0.54 -1.92 0.16 0.00 -0.39 0.00 0.00 64.86 63.25 2ng1 h ILE 13 Cb 1.54 2.71 -0.02 0.00 -3.07 0.00 0.00 36.82 37.98 2ng1 h ILE 13 CO -0.19 0.53 0.41 1.23 -0.69 0.00 0.00 178.15 179.44 2ng1 h GLY 14 N -0.45 0.00 -3.09 5.37 0.00 0.88 -2.29 103.07 103.49 2ng1 h GLY 14 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2ng1 h GLY 14 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.13 2ng1 n ARG 15 N -4.26 0.76 0.00 4.80 1.74 0.74 -3.12 116.66 117.31 2ng1 n ARG 15 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2ng1 n ARG 15 Cb 0.64 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 2ng1 n ARG 15 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ng1 n LEU 16 N 1.50 0.00 -4.73 0.55 4.77 -0.86 -5.04 117.00 113.18 2ng1 n LEU 16 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2ng1 n LEU 16 Cb 0.38 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 2ng1 n LEU 16 CO 0.00 0.00 0.82 -0.13 -1.33 0.00 0.00 177.39 176.75 2ng1 s ARG 17 N 0.00 2.43 -1.36 3.23 1.81 -1.18 -3.06 118.95 120.82 2ng1 s ARG 17 Ca 0.00 1.79 0.00 0.00 -1.72 0.00 0.00 55.73 55.80 2ng1 s ARG 17 Cb 0.00 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 2ng1 s ARG 17 CO 0.00 -1.62 0.00 0.41 -0.68 0.00 0.00 175.30 173.41 2ng1 n GLY 18 N 0.41 0.96 0.02 -3.53 0.00 -1.26 -4.78 105.19 97.01 2ng1 n GLY 18 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2ng1 n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ng1 n ARG 19 N -2.04 0.46 0.00 1.61 0.63 -1.17 -5.08 116.66 111.06 2ng1 n ARG 19 Ca -0.14 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 2ng1 n ARG 19 Cb 0.47 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.82 2ng1 n ARG 19 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ng1 n GLY 20 N 1.32 -1.24 3.60 5.14 0.00 -1.26 -4.71 105.19 108.03 2ng1 n GLY 20 Ca -0.01 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2ng1 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ng1 s ARG 21 N 0.00 3.49 0.41 1.61 0.52 -1.25 -4.59 118.95 119.14 2ng1 s ARG 21 Ca 0.00 1.24 -0.09 0.00 -0.52 0.00 0.00 55.73 56.36 2ng1 s ARG 21 Cb 0.00 -4.11 -0.06 0.00 0.52 0.00 0.00 34.95 31.31 2ng1 s ARG 21 CO 0.00 -1.67 0.76 0.96 0.02 0.00 0.00 175.30 175.37 2ng1 s ILE 22 N 6.08 4.82 0.49 1.52 -4.36 -1.26 -5.06 121.20 123.43 2ng1 s ILE 22 Ca 0.71 0.51 -0.03 0.00 -0.26 0.00 0.00 60.65 61.58 2ng1 s ILE 22 Cb -0.19 -3.76 0.10 0.00 1.25 0.00 0.00 42.46 39.87 2ng1 s ILE 22 CO 0.33 -0.57 0.67 0.35 0.24 0.00 0.00 174.94 175.95 2ng1 n THR 23 N -1.46 0.00 1.65 8.37 -2.24 -1.26 -4.51 114.28 114.82 2ng1 n THR 23 Ca 0.02 -0.89 0.06 0.00 -2.27 0.00 0.00 64.05 60.97 2ng1 n THR 23 Cb 0.54 -1.22 0.38 0.00 -2.10 0.00 0.00 70.33 67.93 2ng1 n THR 23 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ng1 n GLU 24 N -2.29 0.82 -0.01 -0.78 0.28 -1.26 -2.45 120.64 114.95 2ng1 n GLU 24 Ca 0.10 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.17 2ng1 n GLU 24 Cb 0.37 -1.24 -0.10 0.00 1.43 0.00 0.00 31.44 31.89 2ng1 n GLU 24 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ng1 n GLU 25 N -0.74 0.49 0.07 3.44 4.07 -1.26 -2.97 120.64 123.74 2ng1 n GLU 25 Ca 0.10 -0.12 -0.15 0.00 -0.06 0.00 0.00 57.16 56.92 2ng1 n GLU 25 Cb 0.04 -1.31 -0.14 0.00 -0.06 0.00 0.00 31.44 29.98 2ng1 n GLU 25 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2ng1 h ASP 26 N 0.00 0.35 0.23 4.31 3.32 -1.84 -3.07 116.42 119.72 2ng1 h ASP 26 Ca 0.00 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2ng1 h ASP 26 Cb 0.60 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2ng1 h ASP 26 CO 0.00 1.37 -0.11 0.25 -1.72 0.00 0.00 179.24 179.03 2ng1 h LEU 27 N 0.06 -0.26 -1.22 1.55 5.85 -1.66 -2.16 115.31 117.47 2ng1 h LEU 27 Ca -0.20 0.01 0.43 0.00 0.84 0.00 0.00 57.88 58.96 2ng1 h LEU 27 Cb 1.99 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.93 2ng1 h LEU 27 CO 0.17 -0.15 0.72 0.11 -0.34 0.00 0.00 178.44 178.95 2ng1 h LYS 28 N -0.38 0.06 0.39 1.25 1.57 -1.68 0.81 116.57 118.60 2ng1 h LYS 28 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2ng1 h LYS 28 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2ng1 h LYS 28 CO 0.05 0.04 -0.19 0.00 -0.57 0.00 0.00 179.45 178.78 2ng1 h ALA 29 N 1.77 -0.53 -0.82 3.86 0.00 -1.45 -3.04 119.26 119.05 2ng1 h ALA 29 Ca 0.84 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 2ng1 h ALA 29 Cb 2.44 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 20.39 2ng1 h ALA 29 CO -0.57 -0.69 0.40 1.15 0.00 0.00 0.00 179.25 179.54 2ng1 h THR 30 N -0.74 1.25 -0.28 0.00 2.02 0.12 -2.41 112.91 112.89 2ng1 h THR 30 Ca -0.05 -0.71 0.02 0.00 0.77 0.00 0.00 66.41 66.44 2ng1 h THR 30 Cb 0.51 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2ng1 h THR 30 CO 0.09 0.30 0.11 -0.07 0.37 0.00 0.00 175.52 176.33 2ng1 h LEU 31 N 1.17 0.15 -1.27 2.58 3.38 -1.08 0.42 115.31 120.67 2ng1 h LEU 31 Ca 0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2ng1 h LEU 31 Cb 0.11 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2ng1 h LEU 31 CO -0.04 0.12 0.42 0.08 0.09 0.00 0.00 178.44 179.11 2ng1 h ARG 32 N 0.25 0.91 -0.64 1.13 0.11 -1.40 0.22 114.38 114.96 2ng1 h ARG 32 Ca 0.12 -0.07 0.02 0.00 0.10 0.00 0.00 59.98 60.15 2ng1 h ARG 32 Cb 0.07 -0.20 -0.04 0.00 1.11 0.00 0.00 29.97 30.91 2ng1 h ARG 32 CO -0.11 0.63 0.40 1.49 0.10 0.00 0.00 179.97 182.49 2ng1 h GLU 33 N 0.93 0.78 -0.38 0.08 4.81 -0.69 0.32 114.58 120.42 2ng1 h GLU 33 Ca 0.25 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2ng1 h GLU 33 Cb -0.05 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2ng1 h GLU 33 CO -0.05 0.51 -0.10 0.82 -0.73 0.00 0.00 179.01 179.47 2ng1 h ILE 34 N 0.80 1.25 -0.47 2.32 2.04 0.12 -0.90 117.51 122.66 2ng1 h ILE 34 Ca 0.25 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 2ng1 h ILE 34 Cb -0.01 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2ng1 h ILE 34 CO -0.09 0.37 -0.05 -0.09 0.00 0.00 0.00 178.15 178.29 2ng1 h ARG 35 N 0.61 0.87 -0.20 2.37 2.43 0.55 -1.81 114.38 119.21 2ng1 h ARG 35 Ca 0.11 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 2ng1 h ARG 35 Cb 0.53 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2ng1 h ARG 35 CO 0.03 0.93 -0.28 0.00 -1.51 0.00 0.00 179.97 179.15 2ng1 h ARG 36 N 0.72 0.38 -0.44 0.20 3.08 -0.09 -2.05 114.38 116.17 2ng1 h ARG 36 Ca 0.13 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2ng1 h ARG 36 Cb 0.57 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2ng1 h ARG 36 CO 0.03 0.63 0.09 0.00 -1.07 0.00 0.00 179.97 179.65 2ng1 h ALA 37 N 1.38 0.59 -0.67 0.04 0.00 -0.86 -1.21 119.26 118.53 2ng1 h ALA 37 Ca 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2ng1 h ALA 37 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2ng1 h ALA 37 CO 0.05 0.28 0.25 -0.07 0.00 0.00 0.00 179.25 179.76 2ng1 h LEU 38 N 0.59 0.92 -0.15 0.00 3.38 -1.13 -2.93 115.31 115.99 2ng1 h LEU 38 Ca 0.14 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2ng1 h LEU 38 Cb 0.35 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ng1 h LEU 38 CO 0.00 0.83 -0.13 0.24 0.09 0.00 0.00 178.44 179.48 2ng1 h MET 39 N 0.97 0.35 0.00 1.13 2.86 -1.13 -2.18 114.93 116.93 2ng1 h MET 39 Ca 0.22 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2ng1 h MET 39 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2ng1 h MET 39 CO -0.02 0.73 0.00 -0.25 1.06 0.00 0.00 176.91 178.43 2ng1 n ASP 40 N -4.57 0.00 -0.36 1.22 8.00 -0.48 -0.77 116.55 119.60 2ng1 n ASP 40 Ca -0.06 -0.88 0.05 0.00 0.71 0.00 0.00 54.79 54.61 2ng1 n ASP 40 Cb 0.35 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 2ng1 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ng1 n ALA 41 N -0.71 2.55 -3.10 2.24 0.00 -1.07 -4.90 120.51 115.51 2ng1 n ALA 41 Ca 0.06 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 2ng1 n ALA 41 Cb 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 19.45 19.19 2ng1 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ng1 n ASP 42 N 0.39 -4.31 -4.80 0.00 2.03 0.05 -0.37 116.55 109.54 2ng1 n ASP 42 Ca 0.05 -0.31 -0.37 0.00 0.52 0.00 0.00 54.79 54.69 2ng1 n ASP 42 Cb 0.24 -3.08 -0.06 0.00 -0.72 0.00 0.00 41.12 37.50 2ng1 n ASP 42 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ng1 s VAL 43 N -3.18 4.41 0.16 5.18 1.01 -0.84 -3.96 120.40 123.17 2ng1 s VAL 43 Ca 0.31 1.54 -0.33 0.00 0.00 0.00 0.00 61.98 63.49 2ng1 s VAL 43 Cb -0.14 -3.95 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 2ng1 s VAL 43 CO 0.41 0.21 1.21 -3.20 0.00 0.00 0.00 175.10 173.74 2ng1 n ASN 44 N 0.75 1.51 0.28 3.32 2.85 -1.26 -4.76 115.26 117.95 2ng1 n ASN 44 Ca -0.01 1.14 0.15 0.00 -0.11 0.00 0.00 54.58 55.74 2ng1 n ASN 44 Cb 0.50 -1.23 0.85 0.00 1.24 0.00 0.00 39.78 41.14 2ng1 n ASN 44 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2ng1 h LEU 45 N 3.66 0.00 0.03 1.20 3.38 -1.97 0.15 115.31 121.76 2ng1 h LEU 45 Ca -0.44 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.28 2ng1 h LEU 45 Cb 1.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 2ng1 h LEU 45 CO 0.72 0.06 -1.29 -0.33 0.09 0.00 0.00 178.44 177.69 2ng1 h GLU 46 N 0.00 0.06 0.06 1.13 5.08 -2.00 -2.86 114.58 116.06 2ng1 h GLU 46 Ca -0.00 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ng1 h GLU 46 Cb 0.19 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2ng1 h GLU 46 CO 0.01 0.91 -0.03 0.28 -1.00 0.00 0.00 179.01 179.18 2ng1 h VAL 47 N 0.02 1.18 -0.98 3.13 2.07 -1.69 -2.18 116.25 117.80 2ng1 h VAL 47 Ca -0.13 -0.84 0.23 0.00 0.82 0.00 0.00 66.70 66.78 2ng1 h VAL 47 Cb 1.89 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 33.31 2ng1 h VAL 47 CO 0.13 0.21 0.64 0.74 0.02 0.00 0.00 177.57 179.31 2ng1 h THR 48 N -0.46 0.60 0.19 2.57 2.02 -1.05 0.16 112.91 116.95 2ng1 h THR 48 Ca -0.01 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2ng1 h THR 48 Cb 0.40 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2ng1 h THR 48 CO 0.01 0.08 -0.09 -0.09 0.37 0.00 0.00 175.52 175.80 2ng1 h ARG 49 N 0.43 -0.25 -0.72 6.66 2.43 -1.35 -2.53 114.38 119.05 2ng1 h ARG 49 Ca 0.54 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.76 2ng1 h ARG 49 Cb 1.32 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 2ng1 h ARG 49 CO -0.25 0.15 0.45 -0.44 -1.51 0.00 0.00 179.97 178.38 2ng1 h ASP 50 N -0.79 0.75 0.23 -3.80 3.32 -0.67 -0.90 116.42 114.56 2ng1 h ASP 50 Ca -0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2ng1 h ASP 50 Cb 0.52 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2ng1 h ASP 50 CO 0.04 0.52 -0.31 0.15 -1.72 0.00 0.00 179.24 177.92 2ng1 h PHE 51 N 0.89 -0.88 -1.00 4.55 3.04 -0.77 0.45 116.94 123.21 2ng1 h PHE 51 Ca 0.29 0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.42 2ng1 h PHE 51 Cb 0.00 0.35 -0.10 0.00 2.56 0.00 0.00 35.95 38.77 2ng1 h PHE 51 CO -0.04 -0.40 0.62 0.28 -2.02 0.00 0.00 178.31 176.75 2ng1 h VAL 52 N -0.56 0.76 0.27 1.41 2.07 -1.33 -0.91 116.25 117.96 2ng1 h VAL 52 Ca -0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2ng1 h VAL 52 Cb 0.51 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2ng1 h VAL 52 CO -0.08 0.15 -0.13 -0.08 0.02 0.00 0.00 177.57 177.44 2ng1 h GLU 53 N 0.81 -0.35 -0.89 1.57 4.57 -0.55 -1.18 114.58 118.56 2ng1 h GLU 53 Ca 0.56 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.97 2ng1 h GLU 53 Cb 0.81 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.42 2ng1 h GLU 53 CO -0.35 -0.13 0.60 -0.09 -1.18 0.00 0.00 179.01 177.86 2ng1 h ARG 54 N -0.52 0.31 -0.02 1.92 9.65 0.12 0.18 114.38 126.02 2ng1 h ARG 54 Ca -0.04 -0.02 -0.21 0.00 -1.10 0.00 0.00 59.98 58.61 2ng1 h ARG 54 Cb 0.39 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 28.91 2ng1 h ARG 54 CO 0.06 0.21 -0.80 0.28 2.80 0.00 0.00 179.97 182.51 2ng1 h VAL 55 N 0.32 1.35 0.58 0.20 2.07 -0.98 -1.14 116.25 118.65 2ng1 h VAL 55 Ca 0.46 -2.13 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 2ng1 h VAL 55 Cb 1.26 2.43 0.01 0.00 -1.52 0.00 0.00 31.29 33.47 2ng1 h VAL 55 CO -0.15 0.64 -0.28 -0.09 0.02 0.00 0.00 177.57 177.72 2ng1 h ARG 56 N 0.18 -0.75 -0.01 1.57 2.43 0.24 -0.93 114.38 117.10 2ng1 h ARG 56 Ca -0.10 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2ng1 h ARG 56 Cb 1.48 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 31.16 2ng1 h ARG 56 CO 0.16 -0.48 -0.41 1.49 -1.51 0.00 0.00 179.97 179.21 2ng1 h GLU 57 N -0.82 -0.49 -0.48 0.20 4.81 -0.81 -2.06 114.58 114.94 2ng1 h GLU 57 Ca -0.08 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2ng1 h GLU 57 Cb 0.62 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2ng1 h GLU 57 CO 0.13 -0.32 0.24 0.93 -0.73 0.00 0.00 179.01 179.26 2ng1 h GLU 58 N -0.50 0.66 -0.15 1.92 4.39 -1.25 -1.75 114.58 117.90 2ng1 h GLU 58 Ca 0.01 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2ng1 h GLU 58 Cb 0.55 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2ng1 h GLU 58 CO -0.28 0.51 -0.07 0.00 -1.16 0.00 0.00 179.01 178.00 2ng1 h ALA 59 N 1.60 0.21 -0.75 3.43 0.00 -1.02 -2.60 119.26 120.13 2ng1 h ALA 59 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ng1 h ALA 59 Cb 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ng1 h ALA 59 CO -0.02 0.01 0.42 -0.07 0.00 0.00 0.00 179.25 179.58 2ng1 h LEU 60 N -0.03 0.92 -2.59 0.00 3.38 -1.25 0.42 115.31 116.16 2ng1 h LEU 60 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ng1 h LEU 60 Cb 0.54 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ng1 h LEU 60 CO 0.02 0.73 -0.00 1.23 0.09 0.00 0.00 178.44 180.51 2ng1 h GLY 61 N 1.08 0.00 -2.91 0.83 0.00 -1.19 0.92 103.07 101.79 2ng1 h GLY 61 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2ng1 h GLY 61 CO -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 2ng1 n LYS 62 N -3.64 3.59 -3.88 4.80 5.02 0.14 -4.94 118.16 119.25 2ng1 n LYS 62 Ca -0.03 -2.65 -0.27 0.00 -2.02 0.00 0.00 58.31 53.34 2ng1 n LYS 62 Cb 0.08 -1.87 -0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2ng1 n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2ng1 n GLN 63 N 1.01 -2.76 -0.33 1.97 3.00 0.32 -4.77 117.38 115.80 2ng1 n GLN 63 Ca 0.24 0.42 0.03 0.00 -0.01 0.00 0.00 57.00 57.67 2ng1 n GLN 63 Cb 0.85 -4.39 0.17 0.00 0.00 0.00 0.00 30.24 26.87 2ng1 n GLN 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 2ng1 h VAL 64 N -1.88 1.01 -0.10 5.09 -1.51 -1.70 0.12 116.25 117.28 2ng1 h VAL 64 Ca -0.64 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 64.46 2ng1 h VAL 64 Cb 1.37 -0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 2ng1 h VAL 64 CO 0.58 0.18 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.99 2ng1 h LEU 65 N 1.01 0.13 -0.80 4.19 3.38 -1.88 -1.92 115.31 119.42 2ng1 h LEU 65 Ca 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2ng1 h LEU 65 Cb 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ng1 h LEU 65 CO -0.20 0.20 -0.34 -0.62 0.09 0.00 0.00 178.44 177.57 2ng1 n GLU 66 N -4.40 1.10 -2.55 1.13 1.02 -0.42 -4.42 120.64 112.11 2ng1 n GLU 66 Ca -0.01 -0.80 -0.32 0.00 -0.02 0.00 0.00 57.16 56.00 2ng1 n GLU 66 Cb 0.18 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.07 2ng1 n GLU 66 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ng1 s SER 67 N -2.45 6.72 0.00 1.62 0.15 0.27 -4.95 113.70 115.06 2ng1 s SER 67 Ca 0.22 1.59 0.22 0.00 0.70 0.00 0.00 55.95 58.69 2ng1 s SER 67 Cb 0.19 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 2ng1 s SER 67 CO 0.53 -0.51 1.04 0.18 1.20 0.00 0.00 173.24 175.68 2ng1 n LEU 68 N -1.27 0.84 -3.26 3.45 4.32 -1.26 -3.94 117.00 115.88 2ng1 n LEU 68 Ca 0.07 -0.34 -0.25 0.00 -0.02 0.00 0.00 56.01 55.46 2ng1 n LEU 68 Cb 0.54 -0.07 -0.07 0.00 -1.62 0.00 0.00 43.42 42.20 2ng1 n LEU 68 CO 0.44 0.21 -0.19 0.35 -1.22 0.00 0.00 177.39 176.98 2ng1 n THR 69 N -1.52 0.23 0.21 -5.08 -2.24 -1.26 -4.37 114.28 100.25 2ng1 n THR 69 Ca 0.04 -4.38 0.05 0.00 -2.27 0.00 0.00 64.05 57.49 2ng1 n THR 69 Cb 0.34 -1.99 0.48 0.00 -2.10 0.00 0.00 70.33 67.06 2ng1 n THR 69 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2ng1 h PRO 70 N 4.04 0.00 0.00 -0.78 0.13 -1.81 -2.83 132.00 130.75 2ng1 h PRO 70 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2ng1 h PRO 70 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2ng1 h PRO 70 CO 0.57 0.25 -0.01 0.00 -0.23 0.00 0.00 178.00 178.58 2ng1 h ALA 71 N 1.75 1.97 0.00 -0.56 0.00 -1.88 -0.73 119.26 119.81 2ng1 h ALA 71 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2ng1 h ALA 71 Cb 0.46 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2ng1 h ALA 71 CO 0.03 0.01 -0.57 0.93 0.00 0.00 0.00 179.25 179.65 2ng1 h GLU 72 N 0.00 0.00 -0.00 0.00 4.39 -1.88 -1.39 114.58 115.70 2ng1 h GLU 72 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ng1 h GLU 72 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2ng1 h GLU 72 CO 0.00 0.57 -0.02 0.28 -1.16 0.00 0.00 179.01 178.69 2ng1 h VAL 73 N 0.00 1.58 0.24 3.13 2.07 -1.21 -1.68 116.25 120.37 2ng1 h VAL 73 Ca -0.01 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2ng1 h VAL 73 Cb 1.37 2.74 -0.02 0.00 -1.52 0.00 0.00 31.29 33.86 2ng1 h VAL 73 CO 0.07 0.45 -0.22 0.40 0.02 0.00 0.00 177.57 178.29 2ng1 h ILE 74 N -0.71 0.53 -0.89 4.57 2.04 -1.31 0.17 117.51 121.91 2ng1 h ILE 74 Ca -0.00 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.05 2ng1 h ILE 74 Cb 0.74 0.53 -0.11 0.00 -0.74 0.00 0.00 36.82 37.24 2ng1 h ILE 74 CO 0.00 0.00 0.43 0.25 0.00 0.00 0.00 178.15 178.84 2ng1 h LEU 75 N -0.48 0.45 -0.29 1.44 5.85 -1.33 0.36 115.31 121.30 2ng1 h LEU 75 Ca -0.01 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2ng1 h LEU 75 Cb 0.44 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2ng1 h LEU 75 CO -0.04 0.10 -0.06 0.00 -0.34 0.00 0.00 178.44 178.11 2ng1 h ALA 76 N 1.65 0.40 -0.06 1.25 0.00 -0.25 -1.48 119.26 120.76 2ng1 h ALA 76 Ca 0.53 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 2ng1 h ALA 76 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2ng1 h ALA 76 CO -0.45 0.21 -0.73 1.79 0.00 0.00 0.00 179.25 180.06 2ng1 h THR 77 N 0.32 1.40 -0.31 0.00 1.35 0.45 -2.57 112.91 113.55 2ng1 h THR 77 Ca 0.07 -2.19 -0.12 0.00 -0.55 0.00 0.00 66.41 63.62 2ng1 h THR 77 Cb 0.54 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 2ng1 h THR 77 CO 0.03 0.65 -0.32 0.58 -0.25 0.00 0.00 175.52 176.21 2ng1 h VAL 78 N 0.23 1.28 -0.01 6.82 2.07 -0.37 -1.14 116.25 125.13 2ng1 h VAL 78 Ca -0.03 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.06 2ng1 h VAL 78 Cb 1.31 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2ng1 h VAL 78 CO 0.12 0.47 -0.08 0.22 0.02 0.00 0.00 177.57 178.32 2ng1 h TYR 79 N 0.57 -0.21 -0.23 1.57 3.20 -1.10 0.77 116.97 121.54 2ng1 h TYR 79 Ca 0.06 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 2ng1 h TYR 79 Cb 0.82 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 2ng1 h TYR 79 CO 0.04 -0.13 -0.20 0.93 -1.64 0.00 0.00 178.16 177.16 2ng1 h GLU 80 N -0.14 0.42 -0.20 1.82 4.39 -1.39 0.81 114.58 120.29 2ng1 h GLU 80 Ca 0.04 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2ng1 h GLU 80 Cb 0.19 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2ng1 h GLU 80 CO -0.10 0.61 -0.30 0.00 -1.16 0.00 0.00 179.01 178.06 2ng1 h ALA 81 N 1.41 1.11 0.03 3.43 0.00 -0.77 0.12 119.26 124.58 2ng1 h ALA 81 Ca 0.06 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 2ng1 h ALA 81 Cb 0.57 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.27 2ng1 h ALA 81 CO 0.04 0.56 -0.82 -0.07 0.00 0.00 0.00 179.25 178.95 2ng1 h LEU 82 N 0.35 0.68 -0.87 0.00 3.38 -0.31 -2.21 115.31 116.33 2ng1 h LEU 82 Ca 0.05 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 2ng1 h LEU 82 Cb 0.70 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2ng1 h LEU 82 CO 0.05 1.37 0.44 0.50 0.09 0.00 0.00 178.44 180.90 2ng1 h LYS 83 N 0.06 1.24 0.13 1.13 3.64 -0.69 -1.34 116.57 120.75 2ng1 h LYS 83 Ca -0.11 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 2ng1 h LYS 83 Cb 1.52 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2ng1 h LYS 83 CO 0.16 0.93 -0.06 0.93 -2.27 0.00 0.00 179.45 179.14 2ng1 h GLU 84 N 1.23 -0.17 -0.95 1.90 4.39 -1.02 0.61 114.58 120.58 2ng1 h GLU 84 Ca 0.30 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.12 2ng1 h GLU 84 Cb 0.08 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 2ng1 h GLU 84 CO -0.04 0.09 0.61 0.00 -1.16 0.00 0.00 179.01 178.50 2ng1 h ALA 85 N 0.41 1.58 0.00 3.43 0.00 -1.22 -1.11 119.26 122.34 2ng1 h ALA 85 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ng1 h ALA 85 Cb 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ng1 h ALA 85 CO 0.03 0.22 -0.07 -0.07 0.00 0.00 0.00 179.25 179.35 2ng1 h LEU 86 N 0.95 0.00 0.00 0.00 3.38 -1.17 -3.40 115.31 115.06 2ng1 h LEU 86 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2ng1 h LEU 86 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2ng1 h LEU 86 CO -0.21 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.01 2ng1 n GLY 87 N 0.49 0.55 4.56 0.83 0.00 -0.42 -4.77 105.19 106.43 2ng1 n GLY 87 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ng1 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ng1 n GLY 88 N 0.00 1.62 3.86 -0.02 0.00 0.21 -4.88 105.19 105.99 2ng1 n GLY 88 Ca 0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 2ng1 n GLY 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ng1 s GLU 89 N 0.00 3.90 0.90 1.61 -1.05 -1.26 -3.89 118.70 118.91 2ng1 s GLU 89 Ca 0.00 0.47 -0.13 0.00 -0.15 0.00 0.00 54.97 55.15 2ng1 s GLU 89 Cb 0.00 -2.54 0.02 0.00 -0.44 0.00 0.00 34.13 31.17 2ng1 s GLU 89 CO 0.00 0.23 0.46 0.00 0.95 0.00 0.00 175.26 176.90 2ng1 n ALA 90 N -0.26 -2.28 -3.69 -0.84 0.00 -1.26 -4.87 120.51 107.30 2ng1 n ALA 90 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 2ng1 n ALA 90 Cb 0.53 -1.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 2ng1 n ALA 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2ng1 s ARG 91 N -3.45 0.27 0.03 0.00 3.52 -1.26 -5.09 118.95 112.96 2ng1 s ARG 91 Ca 0.59 0.73 0.05 0.00 -0.13 0.00 0.00 55.73 56.98 2ng1 s ARG 91 Cb -0.24 -0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 2ng1 s ARG 91 CO 0.65 -0.20 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.28 2ng1 s LEU 92 N 1.76 2.14 0.70 -0.88 1.43 -1.26 -4.23 118.68 118.34 2ng1 s LEU 92 Ca -0.06 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 2ng1 s LEU 92 Cb -0.10 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 2ng1 s LEU 92 CO -0.10 0.08 0.71 -2.65 0.23 0.00 0.00 176.35 174.62 2ng1 n PRO 93 N 2.06 0.43 -2.66 1.29 -0.02 -1.26 -4.86 135.00 129.98 2ng1 n PRO 93 Ca -0.17 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.07 2ng1 n PRO 93 Cb 0.55 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 2ng1 n PRO 93 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ng1 s VAL 94 N -1.83 4.42 -0.51 -1.45 -7.23 -1.26 -4.98 120.40 107.57 2ng1 s VAL 94 Ca 0.69 1.45 -0.27 0.00 -1.81 0.00 0.00 61.98 62.04 2ng1 s VAL 94 Cb -0.36 -4.46 0.03 0.00 0.56 0.00 0.00 36.38 32.15 2ng1 s VAL 94 CO 0.54 -0.67 1.07 -0.22 -0.31 0.00 0.00 175.10 175.51 2ng1 s LEU 95 N 3.88 3.75 0.00 1.32 2.96 -1.26 -5.01 118.68 124.31 2ng1 s LEU 95 Ca 0.45 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 2ng1 s LEU 95 Cb -0.10 -3.29 0.08 0.00 0.50 0.00 0.00 46.19 43.38 2ng1 s LEU 95 CO 0.21 -1.25 0.61 0.29 -1.32 0.00 0.00 176.35 174.90 2ng1 n LYS 96 N 7.76 0.32 -0.05 1.98 4.76 -1.26 -5.01 118.16 126.65 2ng1 n LYS 96 Ca 0.08 -1.83 -0.08 0.00 -2.87 0.00 0.00 58.31 53.61 2ng1 n LYS 96 Cb 0.49 -0.35 0.10 0.00 -1.84 0.00 0.00 35.03 33.42 2ng1 n LYS 96 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2ng1 h ASP 97 N -0.25 0.71 -3.40 4.39 3.32 -1.95 -3.41 116.42 115.82 2ng1 h ASP 97 Ca -0.20 -0.28 -0.47 0.00 0.02 0.00 0.00 57.03 56.10 2ng1 h ASP 97 Cb 0.80 -0.20 -0.34 0.00 0.22 0.00 0.00 39.33 39.81 2ng1 h ASP 97 CO 0.24 0.97 -0.79 -0.13 -1.72 0.00 0.00 179.24 177.80 2ng1 s ARG 98 N -4.45 1.28 -0.04 3.56 0.52 -1.26 -4.82 118.95 113.74 2ng1 s ARG 98 Ca -0.08 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2ng1 s ARG 98 Cb 0.13 -1.17 0.01 0.00 0.52 0.00 0.00 34.95 34.44 2ng1 s ARG 98 CO 0.83 -0.06 -0.08 -0.80 0.02 0.00 0.00 175.30 175.21 2ng1 s ASN 99 N 0.94 1.19 -0.24 0.23 -0.87 -1.02 -5.03 114.94 110.14 2ng1 s ASN 99 Ca -0.10 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 2ng1 s ASN 99 Cb -0.15 -0.48 0.06 0.00 -0.02 0.00 0.00 41.25 40.67 2ng1 s ASN 99 CO 0.01 0.01 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.30 2ng1 s LEU 100 N 0.58 2.48 -0.03 0.60 0.20 -1.26 0.12 118.68 121.37 2ng1 s LEU 100 Ca -0.09 -1.20 0.06 0.00 0.69 0.00 0.00 54.13 53.59 2ng1 s LEU 100 Cb -0.13 -1.11 -0.02 0.00 -0.43 0.00 0.00 46.19 44.50 2ng1 s LEU 100 CO 0.01 -0.26 -0.22 0.26 -0.29 0.00 0.00 176.35 175.85 2ng1 s TRP 101 N 1.44 2.46 0.01 5.38 0.51 0.11 -0.11 118.94 128.75 2ng1 s TRP 101 Ca -0.04 -0.34 -0.13 0.00 -2.12 0.00 0.00 56.10 53.48 2ng1 s TRP 101 Cb -0.19 -1.54 -0.06 0.00 -0.81 0.00 0.00 33.47 30.88 2ng1 s TRP 101 CO -0.08 0.05 0.39 -0.06 -0.51 0.00 0.00 176.95 176.74 2ng1 s PHE 102 N -0.66 3.68 -0.21 -1.98 0.40 -0.27 -0.62 117.98 118.32 2ng1 s PHE 102 Ca 0.11 0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 57.31 2ng1 s PHE 102 Cb -0.10 -2.24 -0.01 0.00 0.51 0.00 0.00 43.02 41.18 2ng1 s PHE 102 CO -0.00 0.62 -0.04 -0.51 0.70 0.00 0.00 175.22 175.99 2ng1 s LEU 103 N -1.29 3.00 0.25 -0.37 2.01 0.31 -0.54 118.68 122.04 2ng1 s LEU 103 Ca 0.26 -0.32 0.06 0.00 0.01 0.00 0.00 54.13 54.13 2ng1 s LEU 103 Cb -0.16 -1.76 -0.05 0.00 0.01 0.00 0.00 46.19 44.23 2ng1 s LEU 103 CO 0.14 0.02 -0.06 0.68 1.01 0.00 0.00 176.35 178.14 2ng1 s VAL 104 N 1.23 1.48 -5.00 -1.59 -7.23 0.22 -1.87 120.40 107.64 2ng1 s VAL 104 Ca 0.03 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2ng1 s VAL 104 Cb -0.14 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2ng1 s VAL 104 CO -0.01 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 2ng1 n GLY 105 N -0.48 -0.43 3.93 2.32 0.00 -1.26 0.21 105.19 109.47 2ng1 n GLY 105 Ca -0.06 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 2ng1 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ng1 s LEU 106 N 0.00 3.87 0.29 0.99 1.43 -1.26 -4.40 118.68 119.59 2ng1 s LEU 106 Ca 0.00 0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 53.44 2ng1 s LEU 106 Cb 0.00 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.56 2ng1 s LEU 106 CO 0.00 -0.40 1.59 1.67 0.23 0.00 0.00 176.35 179.44 2ng1 n GLN 107 N -1.94 2.68 -0.35 1.70 7.27 -0.74 -1.76 117.38 124.23 2ng1 n GLN 107 Ca -0.03 0.95 0.00 0.00 0.07 0.00 0.00 57.00 58.00 2ng1 n GLN 107 Cb 0.56 -2.73 0.00 0.00 2.41 0.00 0.00 30.24 30.48 2ng1 n GLN 107 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ng1 n GLY 108 N 2.16 1.38 0.26 1.69 0.00 -1.26 -4.66 105.19 104.76 2ng1 n GLY 108 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 2ng1 n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ng1 h SER 109 N 0.00 0.00 0.00 1.61 4.64 -1.68 -3.46 113.55 114.66 2ng1 h SER 109 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ng1 h SER 109 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ng1 h SER 109 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2ng1 n GLY 110 N 0.35 1.02 0.08 -0.77 0.00 -1.26 -3.53 105.19 101.08 2ng1 n GLY 110 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2ng1 n GLY 110 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ng1 h LYS 111 N 3.08 -0.01 -0.40 1.61 3.64 -1.88 0.63 116.57 123.23 2ng1 h LYS 111 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2ng1 h LYS 111 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2ng1 h LYS 111 CO 0.00 -0.01 -0.01 1.15 -2.27 0.00 0.00 179.45 178.31 2ng1 h THR 112 N -0.01 1.26 -0.64 1.00 2.02 -1.95 -2.27 112.91 112.32 2ng1 h THR 112 Ca 0.06 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 2ng1 h THR 112 Cb 0.10 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2ng1 h THR 112 CO -0.12 0.35 0.27 0.74 0.37 0.00 0.00 175.52 177.13 2ng1 h THR 113 N 0.55 1.22 -0.01 3.16 2.02 -1.96 -2.80 112.91 115.09 2ng1 h THR 113 Ca 0.11 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 2ng1 h THR 113 Cb 0.49 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2ng1 h THR 113 CO 0.02 0.27 -0.55 0.74 0.37 0.00 0.00 175.52 176.37 2ng1 h THR 114 N 0.92 1.39 -0.25 3.16 2.02 -0.66 -1.30 112.91 118.20 2ng1 h THR 114 Ca 0.22 -1.89 -0.02 0.00 0.77 0.00 0.00 66.41 65.49 2ng1 h THR 114 Cb 0.16 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2ng1 h THR 114 CO -0.02 0.54 0.08 0.00 0.37 0.00 0.00 175.52 176.49 2ng1 h ALA 115 N 1.42 0.32 -0.01 6.16 0.00 -1.15 0.30 119.26 126.30 2ng1 h ALA 115 Ca -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2ng1 h ALA 115 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2ng1 h ALA 115 CO 0.07 -0.05 -0.47 0.00 0.00 0.00 0.00 179.25 178.81 2ng1 h ALA 116 N 0.91 1.21 0.02 0.00 0.00 -1.34 -1.48 119.26 118.57 2ng1 h ALA 116 Ca 0.08 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 2ng1 h ALA 116 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ng1 h ALA 116 CO -0.00 0.59 -0.93 0.87 0.00 0.00 0.00 179.25 179.77 2ng1 h LYS 117 N 0.02 0.16 -0.46 0.00 1.57 -0.97 -2.11 116.57 114.78 2ng1 h LYS 117 Ca -0.00 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 2ng1 h LYS 117 Cb 0.83 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 2ng1 h LYS 117 CO 0.06 0.98 -0.06 1.25 -0.57 0.00 0.00 179.45 181.12 2ng1 h LEU 118 N 0.08 0.85 0.44 2.94 5.85 -0.18 0.10 115.31 125.39 2ng1 h LEU 118 Ca -0.05 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2ng1 h LEU 118 Cb 1.59 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2ng1 h LEU 118 CO 0.14 0.99 -0.21 0.00 -0.34 0.00 0.00 178.44 179.02 2ng1 h ALA 119 N 0.89 -0.59 -0.61 1.25 0.00 -1.27 -1.76 119.26 117.18 2ng1 h ALA 119 Ca 0.12 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2ng1 h ALA 119 Cb 0.58 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2ng1 h ALA 119 CO 0.03 -0.77 0.25 1.25 0.00 0.00 0.00 179.25 180.01 2ng1 h LEU 120 N -0.70 0.28 -0.01 0.00 5.85 -1.31 0.06 115.31 119.49 2ng1 h LEU 120 Ca -0.06 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2ng1 h LEU 120 Cb 0.51 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2ng1 h LEU 120 CO 0.10 0.17 -0.12 0.22 -0.34 0.00 0.00 178.44 178.47 2ng1 h TYR 121 N 0.45 -0.30 0.00 1.25 3.20 -0.63 -2.37 116.97 118.57 2ng1 h TYR 121 Ca 0.30 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 2ng1 h TYR 121 Cb 0.34 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2ng1 h TYR 121 CO -0.15 -0.18 -0.40 1.88 -1.64 0.00 0.00 178.16 177.68 2ng1 h TYR 122 N -0.19 0.00 -0.63 -3.82 0.05 -0.90 -2.57 116.97 108.90 2ng1 h TYR 122 Ca 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2ng1 h TYR 122 Cb 0.25 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 2ng1 h TYR 122 CO -0.18 0.40 0.35 -0.22 -1.05 0.00 0.00 178.16 177.45 2ng1 h LYS 123 N 0.00 0.88 0.00 4.88 3.64 -0.65 0.21 116.57 125.53 2ng1 h LYS 123 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2ng1 h LYS 123 Cb 0.77 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2ng1 h LYS 123 CO 0.05 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.30 2ng1 n GLY 124 N -1.07 -0.97 1.21 5.01 0.00 -0.92 -1.67 105.19 106.79 2ng1 n GLY 124 Ca 0.05 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2ng1 n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ng1 n LYS 125 N -1.43 2.68 -0.49 1.61 4.76 0.59 -4.94 118.16 120.94 2ng1 n LYS 125 Ca 0.05 -2.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.00 2ng1 n LYS 125 Cb 0.17 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 2ng1 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ng1 n GLY 126 N 1.45 0.75 3.90 0.72 0.00 -0.67 -5.05 105.19 106.30 2ng1 n GLY 126 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2ng1 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ng1 s ARG 127 N -0.51 3.59 -0.72 1.61 1.81 -0.20 -5.01 118.95 119.53 2ng1 s ARG 127 Ca 0.00 0.21 0.02 0.00 -1.72 0.00 0.00 55.73 54.24 2ng1 s ARG 127 Cb 0.00 -2.41 0.18 0.00 -0.45 0.00 0.00 34.95 32.26 2ng1 s ARG 127 CO 0.00 -0.13 0.53 1.03 -0.68 0.00 0.00 175.30 176.05 2ng1 s ARG 128 N -4.46 2.63 0.69 3.54 0.52 -1.26 -4.28 118.95 116.33 2ng1 s ARG 128 Ca 0.48 -3.09 -0.11 0.00 -0.52 0.00 0.00 55.73 52.48 2ng1 s ARG 128 Cb -0.10 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.76 2ng1 s ARG 128 CO 0.41 -1.23 1.07 -1.25 0.02 0.00 0.00 175.30 174.31 2ng1 s PRO 129 N -1.03 3.03 -0.05 3.54 0.05 -1.26 -0.10 135.00 139.19 2ng1 s PRO 129 Ca 0.23 0.63 -0.01 0.00 0.05 0.00 0.00 61.00 61.90 2ng1 s PRO 129 Cb -0.11 -2.03 0.03 0.00 0.05 0.00 0.00 34.50 32.44 2ng1 s PRO 129 CO -0.11 -0.95 0.02 -1.17 0.05 0.00 0.00 177.00 174.85 2ng1 s LEU 130 N -5.37 0.59 0.10 -3.56 2.96 -0.34 -4.44 118.68 108.63 2ng1 s LEU 130 Ca 0.57 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.31 2ng1 s LEU 130 Cb -0.12 -0.25 -0.07 0.00 0.50 0.00 0.00 46.19 46.25 2ng1 s LEU 130 CO 0.53 -0.19 0.55 -0.76 -1.32 0.00 0.00 176.35 175.17 2ng1 s LEU 131 N 1.76 4.45 -0.15 -0.68 1.43 0.06 -1.24 118.68 124.31 2ng1 s LEU 131 Ca 0.01 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2ng1 s LEU 131 Cb -0.13 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.11 2ng1 s LEU 131 CO -0.03 0.21 -0.08 -0.69 0.23 0.00 0.00 176.35 175.99 2ng1 s VAL 132 N -1.25 1.18 -0.75 -1.59 1.01 0.35 -0.41 120.40 118.94 2ng1 s VAL 132 Ca 0.32 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 2ng1 s VAL 132 Cb -0.18 -1.25 0.12 0.00 0.00 0.00 0.00 36.38 35.07 2ng1 s VAL 132 CO 0.19 0.26 0.91 0.00 0.00 0.00 0.00 175.10 176.46 2ng1 s ALA 133 N 1.63 3.43 -1.59 5.51 0.00 0.63 -0.97 121.76 130.39 2ng1 s ALA 133 Ca 0.03 -2.49 0.04 0.00 0.00 0.00 0.00 51.96 49.53 2ng1 s ALA 133 Cb -0.14 -3.77 0.13 0.00 0.00 0.00 0.00 23.12 19.34 2ng1 s ALA 133 CO -0.08 -2.64 0.97 0.00 0.00 0.00 0.00 175.76 174.00 2ng1 n ALA 134 N 6.36 2.58 -2.59 0.00 0.00 -0.89 -1.77 120.51 124.20 2ng1 n ALA 134 Ca 0.06 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 2ng1 n ALA 134 Cb 0.46 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 2ng1 n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ng1 s ASP 135 N -0.69 6.46 -0.01 0.00 -1.08 -1.26 -4.56 116.67 115.53 2ng1 s ASP 135 Ca 0.10 0.13 0.06 0.00 -0.52 0.00 0.00 52.55 52.31 2ng1 s ASP 135 Cb 0.06 -2.55 0.19 0.00 -1.46 0.00 0.00 42.92 39.16 2ng1 s ASP 135 CO 0.05 -1.44 1.11 0.35 0.52 0.00 0.00 175.17 175.76 2ng1 n THR 136 N 6.67 0.34 0.00 1.71 -2.24 -1.26 -3.99 114.28 115.51 2ng1 n THR 136 Ca 0.09 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2ng1 n THR 136 Cb 0.49 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2ng1 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ng1 n GLN 137 N 0.11 2.41 -3.94 -0.78 6.02 -1.26 0.71 117.38 120.65 2ng1 n GLN 137 Ca 0.07 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.75 2ng1 n GLN 137 Cb 0.22 -0.80 -0.15 0.00 1.02 0.00 0.00 30.24 30.54 2ng1 n GLN 137 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2ng1 s ARG 138 N -1.33 1.50 0.32 -1.09 0.52 -1.26 -4.98 118.95 112.64 2ng1 s ARG 138 Ca 0.00 -1.99 0.08 0.00 -0.52 0.00 0.00 55.73 53.30 2ng1 s ARG 138 Cb 0.00 -3.02 0.80 0.00 0.52 0.00 0.00 34.95 33.25 2ng1 s ARG 138 CO 0.00 -1.01 1.79 -1.35 0.02 0.00 0.00 175.30 174.75 2ng1 h PRO 139 N 7.30 0.68 -0.32 3.54 0.11 -1.95 -1.02 132.00 140.34 2ng1 h PRO 139 Ca -0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 2ng1 h PRO 139 Cb 0.98 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2ng1 h PRO 139 CO 0.56 0.45 0.18 0.00 -0.21 0.00 0.00 178.00 178.98 2ng1 h ALA 140 N 1.64 1.71 -0.48 -0.75 0.00 -1.97 0.81 119.26 120.22 2ng1 h ALA 140 Ca 0.57 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.29 2ng1 h ALA 140 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2ng1 h ALA 140 CO -0.35 0.25 -0.22 0.00 0.00 0.00 0.00 179.25 178.93 2ng1 h ALA 141 N 1.76 0.68 -0.44 0.00 0.00 -1.58 -1.20 119.26 118.47 2ng1 h ALA 141 Ca 0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2ng1 h ALA 141 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2ng1 h ALA 141 CO -0.02 0.67 -0.10 0.00 0.00 0.00 0.00 179.25 179.80 2ng1 h ARG 142 N 0.86 0.85 -0.77 0.00 3.08 -1.22 -2.94 114.38 114.24 2ng1 h ARG 142 Ca 0.11 -0.32 0.07 0.00 0.07 0.00 0.00 59.98 59.90 2ng1 h ARG 142 Cb 0.81 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 2ng1 h ARG 142 CO 0.07 0.96 0.45 0.93 -1.07 0.00 0.00 179.97 181.31 2ng1 h GLU 143 N 0.68 0.79 -0.31 0.04 4.39 -0.66 -0.55 114.58 118.97 2ng1 h GLU 143 Ca 0.11 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2ng1 h GLU 143 Cb 0.64 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2ng1 h GLU 143 CO 0.04 0.53 0.15 0.37 -1.16 0.00 0.00 179.01 178.94 2ng1 h GLN 144 N 0.82 0.31 0.00 2.33 4.15 -1.08 -1.94 115.11 119.69 2ng1 h GLN 144 Ca 0.35 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.68 2ng1 h GLN 144 Cb 0.22 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2ng1 h GLN 144 CO -0.19 0.20 -0.35 1.25 -1.93 0.00 0.00 178.83 177.81 2ng1 h LEU 145 N 0.31 0.00 -0.21 -2.39 5.85 -1.20 -1.25 115.31 116.44 2ng1 h LEU 145 Ca 0.13 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2ng1 h LEU 145 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2ng1 h LEU 145 CO -0.09 0.35 0.06 -0.09 -0.34 0.00 0.00 178.44 178.33 2ng1 h ARG 146 N 0.00 0.32 -0.32 1.25 2.43 -0.54 0.11 114.38 117.64 2ng1 h ARG 146 Ca -0.00 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2ng1 h ARG 146 Cb 0.74 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2ng1 h ARG 146 CO 0.05 0.42 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.76 2ng1 h LEU 147 N 0.16 0.64 -0.82 3.80 3.38 -1.16 -1.60 115.31 119.71 2ng1 h LEU 147 Ca 0.07 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.73 2ng1 h LEU 147 Cb 0.24 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2ng1 h LEU 147 CO -0.00 0.88 0.48 -0.07 0.09 0.00 0.00 178.44 179.82 2ng1 h LEU 148 N 0.40 0.72 -1.02 1.67 3.38 -1.14 -1.76 115.31 117.57 2ng1 h LEU 148 Ca 0.08 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2ng1 h LEU 148 Cb 0.61 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2ng1 h LEU 148 CO 0.04 0.44 -0.04 1.23 0.09 0.00 0.00 178.44 180.19 2ng1 h GLY 149 N 0.84 0.71 1.17 0.83 0.00 -0.46 -2.44 103.07 103.72 2ng1 h GLY 149 Ca 0.38 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2ng1 h GLY 149 CO -0.21 0.43 -0.14 0.83 0.00 0.00 0.00 176.54 177.45 2ng1 h GLU 150 N 0.61 0.96 -0.58 4.80 5.08 -0.47 -0.15 114.58 124.83 2ng1 h GLU 150 Ca 0.12 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 2ng1 h GLU 150 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2ng1 h GLU 150 CO 0.02 1.03 0.06 0.87 -1.00 0.00 0.00 179.01 180.00 2ng1 h LYS 151 N 0.85 0.95 -0.01 2.33 1.57 -1.07 -2.46 116.57 118.73 2ng1 h LYS 151 Ca 0.13 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2ng1 h LYS 151 Cb 0.70 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2ng1 h LYS 151 CO 0.05 0.90 -0.06 1.33 -0.57 0.00 0.00 179.45 181.10 2ng1 n VAL 152 N -4.22 0.00 -2.57 0.50 0.24 -0.95 -4.94 118.33 106.40 2ng1 n VAL 152 Ca 0.04 -0.21 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 2ng1 n VAL 152 Cb 0.29 0.44 0.01 0.00 -1.47 0.00 0.00 33.84 33.12 2ng1 n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ng1 n GLY 153 N 1.21 0.25 3.22 7.63 0.00 -0.63 -4.85 105.19 112.01 2ng1 n GLY 153 Ca 0.17 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2ng1 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ng1 s VAL 154 N -2.79 1.73 0.39 1.61 1.01 -0.16 -5.03 120.40 117.15 2ng1 s VAL 154 Ca 0.12 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 2ng1 s VAL 154 Cb -0.05 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 2ng1 s VAL 154 CO 0.15 0.49 1.41 -2.16 0.00 0.00 0.00 175.10 174.99 2ng1 s PRO 155 N -0.29 4.03 -0.11 2.72 0.04 -1.26 -4.25 135.00 135.88 2ng1 s PRO 155 Ca 0.03 2.41 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2ng1 s PRO 155 Cb -0.10 -2.88 0.02 0.00 0.04 0.00 0.00 34.50 31.57 2ng1 s PRO 155 CO 0.01 -0.53 -0.14 0.08 0.04 0.00 0.00 177.00 176.46 2ng1 s VAL 156 N -1.17 1.43 -0.26 -0.36 1.01 -1.26 -0.76 120.40 119.03 2ng1 s VAL 156 Ca 0.55 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2ng1 s VAL 156 Cb -0.43 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2ng1 s VAL 156 CO 0.57 0.43 0.16 -0.22 0.00 0.00 0.00 175.10 176.04 2ng1 s LEU 157 N 1.09 3.94 -0.20 3.92 0.20 0.46 -4.98 118.68 123.09 2ng1 s LEU 157 Ca -0.05 -0.01 -0.09 0.00 0.69 0.00 0.00 54.13 54.67 2ng1 s LEU 157 Cb -0.14 -2.08 -0.05 0.00 -0.43 0.00 0.00 46.19 43.49 2ng1 s LEU 157 CO -0.03 -0.01 0.11 -1.61 -0.29 0.00 0.00 176.35 174.52 2ng1 s GLU 158 N 1.49 4.05 1.01 1.98 2.02 -1.26 -0.27 118.70 127.72 2ng1 s GLU 158 Ca 0.07 -0.29 -0.14 0.00 0.02 0.00 0.00 54.97 54.63 2ng1 s GLU 158 Cb -0.15 -3.36 0.19 0.00 0.10 0.00 0.00 34.13 30.91 2ng1 s GLU 158 CO 0.08 0.21 1.13 0.14 0.02 0.00 0.00 175.26 176.83 2ng1 s VAL 159 N 0.59 1.93 0.26 2.63 -7.23 -0.73 -4.96 120.40 112.89 2ng1 s VAL 159 Ca 0.06 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 2ng1 s VAL 159 Cb -0.12 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2ng1 s VAL 159 CO 0.01 0.00 0.39 -0.04 -0.31 0.00 0.00 175.10 175.14 2ng1 s MET 160 N -5.21 3.42 0.18 4.82 1.00 -1.26 -4.96 119.30 117.28 2ng1 s MET 160 Ca 0.66 -0.74 -0.33 0.00 0.00 0.00 0.00 55.69 55.29 2ng1 s MET 160 Cb -0.15 -2.86 -0.13 0.00 0.00 0.00 0.00 34.83 31.69 2ng1 s MET 160 CO 0.55 0.38 1.66 -0.25 0.00 0.00 0.00 175.02 177.36 2ng1 n ASP 161 N -1.46 3.55 -0.47 3.03 9.92 -1.26 -1.18 116.55 128.67 2ng1 n ASP 161 Ca -0.08 1.07 -0.06 0.00 -0.53 0.00 0.00 54.79 55.18 2ng1 n ASP 161 Cb 0.57 -1.50 -0.03 0.00 -0.64 0.00 0.00 41.12 39.53 2ng1 n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ng1 n GLY 162 N 3.72 0.59 3.74 0.44 0.00 0.22 -4.93 105.19 108.98 2ng1 n GLY 162 Ca 0.17 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2ng1 n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ng1 s GLU 163 N -2.49 4.15 0.57 1.61 2.12 -0.33 -4.97 118.70 119.36 2ng1 s GLU 163 Ca 0.00 2.52 -0.17 0.00 0.36 0.00 0.00 54.97 57.68 2ng1 s GLU 163 Cb 0.00 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 2ng1 s GLU 163 CO 0.00 -0.63 1.08 -1.54 -0.54 0.00 0.00 175.26 173.62 2ng1 s SER 164 N 0.75 5.77 0.20 -1.70 1.04 -1.26 -4.84 113.70 113.65 2ng1 s SER 164 Ca 0.67 1.95 -0.11 0.00 0.48 0.00 0.00 55.95 58.93 2ng1 s SER 164 Cb -0.47 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.32 2ng1 s SER 164 CO 0.41 -1.18 1.76 -0.65 0.98 0.00 0.00 173.24 174.56 2ng1 h PRO 165 N 0.76 0.44 -0.92 4.02 0.11 -1.96 0.18 132.00 134.63 2ng1 h PRO 165 Ca -0.48 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.66 2ng1 h PRO 165 Cb 1.23 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2ng1 h PRO 165 CO 0.57 0.29 0.60 0.93 -0.21 0.00 0.00 178.00 180.18 2ng1 h GLU 166 N 0.46 1.06 -0.02 1.05 3.07 -1.96 0.37 114.58 118.62 2ng1 h GLU 166 Ca 0.27 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2ng1 h GLU 166 Cb 0.27 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2ng1 h GLU 166 CO -0.24 0.70 -0.00 1.03 -1.40 0.00 0.00 179.01 179.10 2ng1 h SER 167 N 1.09 0.03 -0.84 1.42 0.87 -1.55 -2.25 113.55 112.32 2ng1 h SER 167 Ca 0.38 -0.35 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 2ng1 h SER 167 Cb 0.12 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.00 2ng1 h SER 167 CO -0.13 0.37 0.50 0.40 -0.53 0.00 0.00 176.83 177.44 2ng1 h ILE 168 N -0.32 0.96 -0.13 2.23 2.04 0.43 -1.54 117.51 121.19 2ng1 h ILE 168 Ca 0.00 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2ng1 h ILE 168 Cb 0.36 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2ng1 h ILE 168 CO 0.00 0.16 0.03 -0.09 0.00 0.00 0.00 178.15 178.25 2ng1 h ARG 169 N 0.87 0.09 -0.08 2.37 2.43 -0.17 -0.40 114.38 119.50 2ng1 h ARG 169 Ca 0.39 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.59 2ng1 h ARG 169 Cb 0.29 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2ng1 h ARG 169 CO -0.22 0.06 -0.12 0.00 -1.51 0.00 0.00 179.97 178.18 2ng1 h ARG 170 N 0.09 -0.16 -0.40 0.20 3.08 -0.76 -0.24 114.38 116.19 2ng1 h ARG 170 Ca 0.06 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2ng1 h ARG 170 Cb 0.04 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2ng1 h ARG 170 CO -0.06 -0.11 0.08 0.00 -1.07 0.00 0.00 179.97 178.81 2ng1 h ARG 171 N -0.17 0.66 -0.34 0.04 3.08 -1.15 -1.45 114.38 115.05 2ng1 h ARG 171 Ca 0.07 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2ng1 h ARG 171 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2ng1 h ARG 171 CO -0.18 0.70 0.11 0.28 -1.07 0.00 0.00 179.97 179.81 2ng1 h VAL 172 N 0.52 1.20 -0.74 2.04 2.07 -0.96 -1.59 116.25 118.79 2ng1 h VAL 172 Ca 0.12 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 2ng1 h VAL 172 Cb 0.35 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2ng1 h VAL 172 CO 0.01 0.23 0.22 -0.33 0.02 0.00 0.00 177.57 177.71 2ng1 h GLU 173 N 0.40 1.16 -0.19 1.57 4.39 -0.97 0.24 114.58 121.19 2ng1 h GLU 173 Ca 0.11 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2ng1 h GLU 173 Cb 0.24 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2ng1 h GLU 173 CO -0.00 0.99 0.08 1.49 -1.16 0.00 0.00 179.01 180.41 2ng1 h GLU 174 N 1.11 0.28 -0.77 2.33 4.81 -1.11 0.13 114.58 121.36 2ng1 h GLU 174 Ca 0.24 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2ng1 h GLU 174 Cb 0.33 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2ng1 h GLU 174 CO -0.00 0.34 0.43 -0.22 -0.73 0.00 0.00 179.01 178.83 2ng1 h LYS 175 N 0.15 1.07 -0.73 1.92 3.64 -1.15 0.14 116.57 121.62 2ng1 h LYS 175 Ca 0.06 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2ng1 h LYS 175 Cb 0.17 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2ng1 h LYS 175 CO -0.01 0.79 0.45 0.00 -2.27 0.00 0.00 179.45 178.41 2ng1 h ALA 176 N 1.22 0.96 0.73 5.00 0.00 -0.65 -0.15 119.26 126.38 2ng1 h ALA 176 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2ng1 h ALA 176 Cb 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ng1 h ALA 176 CO -0.05 0.22 -0.35 -0.09 0.00 0.00 0.00 179.25 178.98 2ng1 h ARG 177 N 0.87 -0.95 -0.06 0.00 2.43 -0.06 -0.55 114.38 116.06 2ng1 h ARG 177 Ca 0.30 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.55 2ng1 h ARG 177 Cb 0.05 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2ng1 h ARG 177 CO -0.12 -0.61 0.07 -0.07 -1.51 0.00 0.00 179.97 177.73 2ng1 h LEU 178 N -1.15 0.00 -2.81 3.80 3.38 -0.54 -2.77 115.31 115.22 2ng1 h LEU 178 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ng1 h LEU 178 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2ng1 h LEU 178 CO 0.16 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.07 2ng1 n GLU 179 N -3.77 2.74 -3.53 1.13 1.02 -0.09 -4.99 120.64 113.15 2ng1 n GLU 179 Ca -0.02 -1.91 -0.26 0.00 -0.02 0.00 0.00 57.16 54.95 2ng1 n GLU 179 Cb 0.16 -1.23 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 2ng1 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ng1 n ALA 180 N 0.37 -1.14 -2.22 0.62 0.00 -0.30 -4.91 120.51 112.93 2ng1 n ALA 180 Ca 0.10 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 2ng1 n ALA 180 Cb 0.39 -3.74 -0.03 0.00 0.00 0.00 0.00 19.45 16.07 2ng1 n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ng1 s ARG 181 N -6.22 4.34 0.00 0.00 1.81 -0.70 -4.79 118.95 113.41 2ng1 s ARG 181 Ca 0.50 2.01 0.05 0.00 -1.72 0.00 0.00 55.73 56.57 2ng1 s ARG 181 Cb -0.25 -3.27 0.06 0.00 -0.45 0.00 0.00 34.95 31.05 2ng1 s ARG 181 CO 0.61 -0.40 0.78 -0.40 -0.68 0.00 0.00 175.30 175.21 2ng1 n ASP 182 N 3.96 1.69 -3.58 0.23 5.68 0.86 -4.86 116.55 120.52 2ng1 n ASP 182 Ca 0.11 -1.43 -0.22 0.00 -0.50 0.00 0.00 54.79 52.75 2ng1 n ASP 182 Cb 0.43 -0.03 -0.15 0.00 -1.14 0.00 0.00 41.12 40.23 2ng1 n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2ng1 s LEU 183 N -0.57 0.12 -0.21 -2.12 2.96 -1.17 -2.44 118.68 115.25 2ng1 s LEU 183 Ca 0.07 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2ng1 s LEU 183 Cb 0.04 0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.75 2ng1 s LEU 183 CO 0.06 -0.32 0.06 -0.63 -1.32 0.00 0.00 176.35 174.19 2ng1 s ILE 184 N 2.23 4.47 -0.25 6.68 1.01 0.32 -1.19 121.20 134.47 2ng1 s ILE 184 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2ng1 s ILE 184 Cb -0.15 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.31 2ng1 s ILE 184 CO -0.09 0.40 -0.09 -0.76 0.00 0.00 0.00 174.94 174.40 2ng1 s LEU 185 N 0.96 3.18 -0.47 2.97 1.43 -0.38 0.05 118.68 126.42 2ng1 s LEU 185 Ca 0.03 -1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 51.93 2ng1 s LEU 185 Cb -0.14 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.55 2ng1 s LEU 185 CO 0.03 -0.14 0.40 -0.69 0.23 0.00 0.00 176.35 176.17 2ng1 s VAL 186 N 1.24 5.23 -0.73 -1.59 1.01 0.20 -0.49 120.40 125.27 2ng1 s VAL 186 Ca -0.03 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 2ng1 s VAL 186 Cb -0.17 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.12 2ng1 s VAL 186 CO -0.06 -0.57 1.26 -0.62 0.00 0.00 0.00 175.10 175.12 2ng1 s ASP 187 N 2.56 6.17 1.20 3.32 2.15 -0.14 -0.53 116.67 131.40 2ng1 s ASP 187 Ca 0.04 -0.45 -0.19 0.00 0.43 0.00 0.00 52.55 52.38 2ng1 s ASP 187 Cb -0.24 -2.55 0.28 0.00 -0.30 0.00 0.00 42.92 40.11 2ng1 s ASP 187 CO 0.07 -1.81 1.12 0.42 -0.17 0.00 0.00 175.17 174.80 2ng1 s THR 188 N 5.64 1.61 0.22 1.71 -4.23 -0.78 -2.10 115.64 117.71 2ng1 s THR 188 Ca 0.35 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 2ng1 s THR 188 Cb -0.08 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.16 2ng1 s THR 188 CO 0.15 0.00 1.29 0.00 -0.54 0.00 0.00 174.62 175.52 2ng1 s ALA 189 N -3.04 3.51 -0.05 3.99 0.00 -1.26 -4.75 121.76 120.16 2ng1 s ALA 189 Ca 0.71 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.83 2ng1 s ALA 189 Cb -0.09 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2ng1 s ALA 189 CO 0.56 -0.52 -0.21 0.20 0.00 0.00 0.00 175.76 175.79 2ng1 s GLY 190 N 0.14 1.10 0.14 0.00 0.00 -1.26 -4.72 107.32 102.71 2ng1 s GLY 190 Ca 0.55 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 44.44 2ng1 s GLY 190 CO 0.40 -0.52 -0.08 0.50 0.00 0.00 0.00 173.10 173.40 2ng1 s ARG 191 N -0.09 1.03 0.62 2.90 1.81 -1.26 -4.22 118.95 119.74 2ng1 s ARG 191 Ca -0.03 -1.44 0.31 0.00 -1.72 0.00 0.00 55.73 52.85 2ng1 s ARG 191 Cb -0.12 -0.51 1.72 0.00 -0.45 0.00 0.00 34.95 35.58 2ng1 s ARG 191 CO 0.03 0.03 2.04 -0.07 -0.68 0.00 0.00 175.30 176.65 2ng1 h LEU 192 N 2.80 0.00 -7.34 2.53 3.38 -1.94 -1.97 115.31 112.77 2ng1 h LEU 192 Ca -0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2ng1 h LEU 192 Cb 1.19 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 2ng1 h LEU 192 CO 0.64 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 179.13 2ng1 s GLN 193 N -4.41 1.06 0.06 1.13 0.00 -1.26 -4.85 119.66 111.39 2ng1 s GLN 193 Ca -0.04 -0.58 -0.36 0.00 -0.00 0.00 0.00 55.36 54.38 2ng1 s GLN 193 Cb 0.13 0.47 -0.15 0.00 0.00 0.00 0.00 33.01 33.46 2ng1 s GLN 193 CO 0.45 -0.41 1.53 -0.89 0.00 0.00 0.00 175.29 175.97 2ng1 n ILE 194 N -0.04 0.09 -3.83 3.63 5.41 -1.26 -4.96 119.36 118.39 2ng1 n ILE 194 Ca -0.17 -0.02 -0.36 0.00 1.00 0.00 0.00 62.75 63.20 2ng1 n ILE 194 Cb 0.63 -1.25 -0.13 0.00 -0.71 0.00 0.00 39.64 38.18 2ng1 n ILE 194 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ng1 s ASP 195 N 1.30 5.02 0.17 4.38 2.15 -1.26 -5.01 116.67 123.43 2ng1 s ASP 195 Ca 0.84 -1.08 -0.18 0.00 0.43 0.00 0.00 52.55 52.57 2ng1 s ASP 195 Cb -0.83 -1.79 0.11 0.00 -0.30 0.00 0.00 42.92 40.11 2ng1 s ASP 195 CO 0.46 -0.26 1.65 -0.33 -0.17 0.00 0.00 175.17 176.51 2ng1 h GLU 196 N 8.12 -0.06 -0.37 4.34 3.07 -1.98 0.39 114.58 128.10 2ng1 h GLU 196 Ca -0.25 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2ng1 h GLU 196 Cb 1.09 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 2ng1 h GLU 196 CO 0.58 -0.04 0.22 -1.35 -1.40 0.00 0.00 179.01 177.02 2ng1 h PRO 197 N -0.06 0.50 -0.89 2.33 0.11 -1.99 -0.69 132.00 131.30 2ng1 h PRO 197 Ca 0.20 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2ng1 h PRO 197 Cb 0.37 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.33 2ng1 h PRO 197 CO -0.46 0.37 0.49 -0.07 -0.21 0.00 0.00 178.00 178.12 2ng1 h LEU 198 N 0.48 1.10 -0.94 2.35 3.38 -1.78 0.15 115.31 120.05 2ng1 h LEU 198 Ca 0.13 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2ng1 h LEU 198 Cb -0.00 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.40 2ng1 h LEU 198 CO -0.03 0.88 0.60 0.24 0.09 0.00 0.00 178.44 180.22 2ng1 h MET 199 N 1.24 1.05 -0.04 1.13 2.86 0.31 0.57 114.93 122.06 2ng1 h MET 199 Ca 0.31 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2ng1 h MET 199 Cb 0.02 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 2ng1 h MET 199 CO -0.05 0.70 0.01 0.78 1.06 0.00 0.00 176.91 179.40 2ng1 h GLY 200 N 1.09 0.08 1.25 8.32 0.00 0.16 0.30 103.07 114.27 2ng1 h GLY 200 Ca 0.41 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.73 2ng1 h GLY 200 CO -0.17 0.05 0.40 0.83 0.00 0.00 0.00 176.54 177.64 2ng1 h GLU 201 N -0.17 0.64 0.33 4.80 5.08 -0.34 -1.04 114.58 123.89 2ng1 h GLU 201 Ca 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2ng1 h GLU 201 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ng1 h GLU 201 CO 0.00 0.42 -0.16 1.25 -1.00 0.00 0.00 179.01 179.53 2ng1 h LEU 202 N 0.66 -0.38 -1.18 1.33 5.85 0.75 0.44 115.31 122.79 2ng1 h LEU 202 Ca 0.25 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2ng1 h LEU 202 Cb 0.16 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2ng1 h LEU 202 CO -0.07 -0.11 0.56 0.00 -0.34 0.00 0.00 178.44 178.48 2ng1 h ALA 203 N -0.05 1.42 -0.31 1.25 0.00 -0.68 -1.27 119.26 119.61 2ng1 h ALA 203 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2ng1 h ALA 203 Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ng1 h ALA 203 CO 0.07 0.53 0.09 -0.09 0.00 0.00 0.00 179.25 179.85 2ng1 h ARG 204 N 1.12 0.49 -0.95 0.00 9.65 -1.05 -0.94 114.38 122.69 2ng1 h ARG 204 Ca 0.32 -0.11 0.02 0.00 -1.10 0.00 0.00 59.98 59.11 2ng1 h ARG 204 Cb -0.09 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.37 2ng1 h ARG 204 CO -0.08 0.54 0.62 1.25 2.80 0.00 0.00 179.97 185.11 2ng1 h LEU 205 N 0.35 1.06 -0.78 3.80 5.85 -0.34 -0.93 115.31 124.32 2ng1 h LEU 205 Ca 0.10 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2ng1 h LEU 205 Cb 0.26 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2ng1 h LEU 205 CO -0.00 0.74 0.26 0.50 -0.34 0.00 0.00 178.44 179.60 2ng1 h LYS 206 N 1.24 1.17 -0.56 1.25 3.64 -0.93 -1.24 116.57 121.14 2ng1 h LYS 206 Ca 0.37 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2ng1 h LYS 206 Cb -0.06 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 2ng1 h LYS 206 CO -0.10 0.98 0.34 0.93 -2.27 0.00 0.00 179.45 179.33 2ng1 h GLU 207 N 1.13 0.66 -0.01 1.90 5.08 0.07 0.32 114.58 123.73 2ng1 h GLU 207 Ca 0.25 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.32 2ng1 h GLU 207 Cb 0.28 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.40 2ng1 h GLU 207 CO -0.01 0.44 -0.95 0.28 -1.00 0.00 0.00 179.01 177.76 2ng1 h VAL 208 N 0.68 1.30 0.00 3.13 2.07 -0.91 -3.36 116.25 119.16 2ng1 h VAL 208 Ca 0.22 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2ng1 h VAL 208 Cb 0.01 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2ng1 h VAL 208 CO -0.09 0.67 -1.15 0.18 0.02 0.00 0.00 177.57 177.20 2ng1 n LEU 209 N -3.92 0.71 -3.61 2.57 4.77 -0.50 -5.02 117.00 112.00 2ng1 n LEU 209 Ca -0.11 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 2ng1 n LEU 209 Cb 0.84 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.90 2ng1 n LEU 209 CO 0.54 -0.15 -0.04 0.61 -1.33 0.00 0.00 177.39 177.02 2ng1 n GLY 210 N 1.20 -1.12 3.76 -0.72 0.00 0.11 -4.93 105.19 103.49 2ng1 n GLY 210 Ca -0.01 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 2ng1 n GLY 210 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ng1 s PRO 211 N -5.19 3.24 0.24 1.61 0.04 -1.26 -4.91 135.00 128.77 2ng1 s PRO 211 Ca 0.26 1.98 0.24 0.00 0.04 0.00 0.00 61.00 63.52 2ng1 s PRO 211 Cb -0.10 -2.18 0.48 0.00 0.04 0.00 0.00 34.50 32.74 2ng1 s PRO 211 CO 0.85 -1.03 1.53 -0.44 0.04 0.00 0.00 177.00 177.95 2ng1 h ASP 212 N 1.42 0.00 -4.33 6.66 3.32 -0.87 -3.45 116.42 119.16 2ng1 h ASP 212 Ca -0.50 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 56.32 2ng1 h ASP 212 Cb 1.29 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 2ng1 h ASP 212 CO 0.57 0.03 -0.55 -1.61 -1.72 0.00 0.00 179.24 175.96 2ng1 s GLU 213 N -3.18 0.29 -0.33 3.56 0.41 -1.23 -5.05 118.70 113.18 2ng1 s GLU 213 Ca 0.07 -0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.53 2ng1 s GLU 213 Cb 0.10 0.12 0.10 0.00 -1.78 0.00 0.00 34.13 32.68 2ng1 s GLU 213 CO 0.67 -0.06 0.11 0.08 -0.49 0.00 0.00 175.26 175.57 2ng1 s VAL 214 N -0.61 1.09 -0.31 2.63 1.01 -1.26 -1.11 120.40 121.85 2ng1 s VAL 214 Ca -0.07 -1.63 -0.16 0.00 0.00 0.00 0.00 61.98 60.12 2ng1 s VAL 214 Cb -0.04 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2ng1 s VAL 214 CO 0.01 -0.69 0.40 -0.76 0.00 0.00 0.00 175.10 174.05 2ng1 s LEU 215 N 1.40 4.22 -0.23 3.92 1.43 0.30 -0.20 118.68 129.52 2ng1 s LEU 215 Ca 0.11 0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 53.06 2ng1 s LEU 215 Cb -0.18 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2ng1 s LEU 215 CO -0.20 -0.29 0.70 -0.22 0.23 0.00 0.00 176.35 176.57 2ng1 s LEU 216 N 2.12 4.10 -0.21 1.79 2.96 -0.89 -0.61 118.68 127.93 2ng1 s LEU 216 Ca 0.15 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 54.76 2ng1 s LEU 216 Cb -0.16 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.51 2ng1 s LEU 216 CO 0.11 -0.38 0.51 -0.69 -1.32 0.00 0.00 176.35 174.58 2ng1 s VAL 217 N 2.38 5.10 -0.10 1.68 1.01 0.13 -1.80 120.40 128.80 2ng1 s VAL 217 Ca 0.30 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.24 2ng1 s VAL 217 Cb -0.16 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2ng1 s VAL 217 CO 0.09 0.16 -0.18 -0.76 0.00 0.00 0.00 175.10 174.41 2ng1 s LEU 218 N 1.76 1.86 -0.29 3.92 1.43 -0.11 -4.41 118.68 122.84 2ng1 s LEU 218 Ca 0.23 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 2ng1 s LEU 218 Cb -0.15 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2ng1 s LEU 218 CO 0.09 0.07 1.56 -0.62 0.23 0.00 0.00 176.35 177.68 2ng1 s ASP 219 N 0.69 6.32 0.59 2.29 -1.08 -1.23 -1.21 116.67 123.04 2ng1 s ASP 219 Ca -0.13 1.32 0.40 0.00 -0.52 0.00 0.00 52.55 53.62 2ng1 s ASP 219 Cb -0.16 -2.53 2.05 0.00 -1.46 0.00 0.00 42.92 40.82 2ng1 s ASP 219 CO 0.03 -1.35 2.20 0.00 0.52 0.00 0.00 175.17 176.57 2ng1 h ALA 220 N 10.91 1.00 0.00 3.66 0.00 -1.29 -2.84 119.26 130.71 2ng1 h ALA 220 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ng1 h ALA 220 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ng1 h ALA 220 CO 1.03 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.95 2ng1 n MET 221 N -2.96 0.28 -0.68 0.00 2.81 -1.26 -3.56 117.12 111.75 2ng1 n MET 221 Ca -0.02 0.03 -0.01 0.00 -1.81 0.00 0.00 57.70 55.89 2ng1 n MET 221 Cb 0.12 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.36 2ng1 n MET 221 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2ng1 n THR 222 N -1.34 2.08 -1.84 2.03 -2.24 -1.07 -5.02 114.28 106.87 2ng1 n THR 222 Ca 0.11 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 2ng1 n THR 222 Cb 0.24 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2ng1 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ng1 n GLY 223 N 0.14 1.91 0.32 3.38 0.00 -1.23 -2.21 105.19 107.48 2ng1 n GLY 223 Ca 0.25 -0.31 0.17 0.00 0.00 0.00 0.00 46.02 46.13 2ng1 n GLY 223 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ng1 h GLN 224 N 0.00 0.00 -0.74 1.61 1.08 -1.88 -2.67 115.11 112.50 2ng1 h GLN 224 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2ng1 h GLN 224 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 2ng1 h GLN 224 CO 0.00 0.00 0.28 1.49 -0.95 0.00 0.00 178.83 179.65 2ng1 h GLU 225 N 0.00 1.12 -0.92 1.46 4.57 -1.85 -3.18 114.58 115.79 2ng1 h GLU 225 Ca 0.02 -0.21 0.24 0.00 -1.18 0.00 0.00 59.36 58.22 2ng1 h GLU 225 Cb 0.13 -0.18 -0.17 0.00 -0.16 0.00 0.00 28.75 28.37 2ng1 h GLU 225 CO -0.00 0.93 0.02 0.00 -1.18 0.00 0.00 179.01 178.78 2ng1 h ALA 226 N 1.14 1.04 0.00 2.92 0.00 -1.48 0.30 119.26 123.19 2ng1 h ALA 226 Ca 0.25 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2ng1 h ALA 226 Cb 0.24 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2ng1 h ALA 226 CO -0.02 -0.51 0.00 -0.07 0.00 0.00 0.00 179.25 178.65 2ng1 h LEU 227 N 0.05 0.00 -1.05 0.00 3.38 -1.76 -3.04 115.31 112.90 2ng1 h LEU 227 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 2ng1 h LEU 227 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2ng1 h LEU 227 CO -0.84 0.00 0.00 0.77 0.09 0.00 0.00 178.44 178.46 2ng1 h SER 228 N 0.00 0.00 1.60 -0.43 4.64 -1.04 -2.42 113.55 115.90 2ng1 h SER 228 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ng1 h SER 228 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2ng1 h SER 228 CO 0.00 0.00 -0.35 0.58 -0.87 0.00 0.00 176.83 176.19 2ng1 h VAL 229 N 0.00 0.00 -0.44 0.95 2.07 -1.58 -3.35 116.25 113.91 2ng1 h VAL 229 Ca 0.00 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 2ng1 h VAL 229 Cb 0.62 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2ng1 h VAL 229 CO 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.35 2ng1 h ALA 230 N 2.05 0.74 -0.63 1.67 0.00 -1.55 -2.97 119.26 118.56 2ng1 h ALA 230 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2ng1 h ALA 230 Cb 0.97 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2ng1 h ALA 230 CO 0.00 0.66 0.20 -0.09 0.00 0.00 0.00 179.25 180.02 2ng1 h ARG 231 N 0.79 0.96 0.27 0.00 9.65 -1.69 -0.28 114.38 124.08 2ng1 h ARG 231 Ca 0.10 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2ng1 h ARG 231 Cb 0.80 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2ng1 h ARG 231 CO 0.07 0.82 -0.13 0.00 2.80 0.00 0.00 179.97 183.53 2ng1 h ALA 232 N 1.29 -0.37 -0.21 2.80 0.00 -1.75 0.11 119.26 121.14 2ng1 h ALA 232 Ca 0.21 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2ng1 h ALA 232 Cb 0.26 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2ng1 h ALA 232 CO -0.01 -0.57 -0.07 0.74 0.00 0.00 0.00 179.25 179.34 2ng1 h PHE 233 N -0.63 -0.15 -0.11 0.00 0.04 -1.43 0.99 116.94 115.65 2ng1 h PHE 233 Ca -0.04 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.78 2ng1 h PHE 233 Cb 0.45 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2ng1 h PHE 233 CO 0.01 -0.11 -0.09 0.22 -0.60 0.00 0.00 178.31 177.74 2ng1 h ASP 234 N -0.03 -0.27 -0.45 2.17 3.58 -1.03 0.42 116.42 120.81 2ng1 h ASP 234 Ca 0.11 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.62 2ng1 h ASP 234 Cb 0.18 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2ng1 h ASP 234 CO -0.23 -0.12 0.30 -0.08 -2.88 0.00 0.00 179.24 176.23 2ng1 h GLU 235 N -0.10 0.59 -0.00 0.28 4.81 -0.28 -0.04 114.58 119.83 2ng1 h GLU 235 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2ng1 h GLU 235 Cb 0.20 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2ng1 h GLU 235 CO -0.17 0.39 -0.42 1.63 -0.73 0.00 0.00 179.01 179.71 2ng1 n LYS 236 N -4.78 0.45 0.02 1.92 5.02 0.30 -4.73 118.16 116.36 2ng1 n LYS 236 Ca 0.02 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 2ng1 n LYS 236 Cb 0.02 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2ng1 n LYS 236 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ng1 n VAL 237 N -1.03 0.01 0.00 -0.18 0.31 0.14 -4.41 118.33 113.17 2ng1 n VAL 237 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2ng1 n VAL 237 Cb 0.35 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 2ng1 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ng1 n GLY 238 N 1.60 1.54 3.83 2.92 0.00 -0.04 -4.98 105.19 110.06 2ng1 n GLY 238 Ca 0.00 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2ng1 n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ng1 s VAL 239 N 0.00 5.41 -0.21 1.61 1.01 -1.26 -4.62 120.40 122.34 2ng1 s VAL 239 Ca 0.00 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.39 2ng1 s VAL 239 Cb 0.00 -3.47 -0.22 0.00 0.00 0.00 0.00 36.38 32.69 2ng1 s VAL 239 CO 0.00 0.55 -0.01 0.35 0.00 0.00 0.00 175.10 175.99 2ng1 n THR 240 N 2.45 1.46 -3.94 3.92 -2.24 0.72 -4.94 114.28 111.71 2ng1 n THR 240 Ca -0.18 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 60.76 2ng1 n THR 240 Cb 0.54 -0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 2ng1 n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ng1 n GLY 241 N 1.97 1.82 3.28 3.38 0.00 -1.19 -4.47 105.19 109.98 2ng1 n GLY 241 Ca -0.38 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 2ng1 n GLY 241 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ng1 s LEU 242 N 0.00 2.50 -0.08 0.99 1.43 0.01 -2.10 118.68 121.44 2ng1 s LEU 242 Ca 0.24 -0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2ng1 s LEU 242 Cb -0.02 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.73 2ng1 s LEU 242 CO 0.17 -0.23 -0.05 -0.69 0.23 0.00 0.00 176.35 175.78 2ng1 s VAL 243 N -2.89 0.73 -0.40 -1.59 1.01 -0.75 -1.51 120.40 115.01 2ng1 s VAL 243 Ca 0.16 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2ng1 s VAL 243 Cb -0.00 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.63 2ng1 s VAL 243 CO 0.03 0.31 0.24 -0.76 0.00 0.00 0.00 175.10 174.92 2ng1 s LEU 244 N 1.60 4.92 0.58 3.92 1.43 -0.85 -0.93 118.68 129.35 2ng1 s LEU 244 Ca 0.01 -1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 51.91 2ng1 s LEU 244 Cb -0.13 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.10 2ng1 s LEU 244 CO -0.05 -0.45 0.83 0.42 0.23 0.00 0.00 176.35 177.33 2ng1 s THR 245 N 1.52 2.91 -1.58 5.49 -4.23 -0.35 -0.06 115.64 119.34 2ng1 s THR 245 Ca 0.02 -0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 2ng1 s THR 245 Cb -0.21 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.51 2ng1 s THR 245 CO 0.05 -0.11 0.35 0.29 -0.54 0.00 0.00 174.62 174.66 2ng1 n LYS 246 N -2.47 -3.52 0.21 3.99 5.02 -1.15 -0.89 118.16 119.36 2ng1 n LYS 246 Ca 0.06 0.89 0.05 0.00 -2.02 0.00 0.00 58.31 57.30 2ng1 n LYS 246 Cb 0.59 -5.66 0.48 0.00 -0.02 0.00 0.00 35.03 30.42 2ng1 n LYS 246 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ng1 h LEU 247 N -0.79 0.00 0.00 -0.35 3.38 -1.14 -1.80 115.31 114.61 2ng1 h LEU 247 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2ng1 h LEU 247 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2ng1 h LEU 247 CO 0.56 0.26 0.00 -0.90 0.09 0.00 0.00 178.44 178.44 2ng1 n ASP 248 N -4.08 0.00 -0.20 -0.43 5.75 -1.26 -1.40 116.55 114.94 2ng1 n ASP 248 Ca -0.02 0.46 0.02 0.00 -0.01 0.00 0.00 54.79 55.24 2ng1 n ASP 248 Cb 0.32 -0.48 0.04 0.00 -1.03 0.00 0.00 41.12 39.97 2ng1 n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ng1 n GLY 249 N 0.31 1.65 3.56 6.12 0.00 -0.72 -4.96 105.19 111.14 2ng1 n GLY 249 Ca 0.05 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2ng1 n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ng1 s ASP 250 N -0.78 6.16 0.11 1.61 2.15 -0.49 -4.90 116.67 120.52 2ng1 s ASP 250 Ca 0.07 -1.25 -0.25 0.00 0.43 0.00 0.00 52.55 51.55 2ng1 s ASP 250 Cb 0.04 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 40.02 2ng1 s ASP 250 CO 0.05 -1.82 0.78 0.00 -0.17 0.00 0.00 175.17 174.01 2ng1 s ALA 251 N 6.26 3.41 0.00 3.66 0.00 -1.26 0.11 121.76 133.94 2ng1 s ALA 251 Ca 0.52 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2ng1 s ALA 251 Cb -0.02 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2ng1 s ALA 251 CO -0.07 0.19 0.00 0.54 0.00 0.00 0.00 175.76 176.41 2ng1 n ARG 252 N 2.14 0.00 0.00 0.00 1.74 -1.26 -4.86 116.66 114.42 2ng1 n ARG 252 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2ng1 n ARG 252 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2ng1 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ng1 n GLY 253 N 0.00 1.60 0.36 -0.13 0.00 -1.19 -4.26 105.19 101.57 2ng1 n GLY 253 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2ng1 n GLY 253 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ng1 h GLY 254 N 0.00 0.82 0.63 -0.02 0.00 -0.83 -2.67 103.07 100.99 2ng1 h GLY 254 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2ng1 h GLY 254 CO 0.00 0.13 -0.40 0.00 0.00 0.00 0.00 176.54 176.26 2ng1 h ALA 255 N 1.64 -0.90 -0.15 3.60 0.00 -1.75 0.43 119.26 122.14 2ng1 h ALA 255 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2ng1 h ALA 255 Cb 0.55 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2ng1 h ALA 255 CO -0.11 -1.04 -0.08 0.00 0.00 0.00 0.00 179.25 178.01 2ng1 h ALA 256 N -0.51 1.59 0.00 0.00 0.00 -1.84 0.82 119.26 119.32 2ng1 h ALA 256 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2ng1 h ALA 256 Cb 0.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2ng1 h ALA 256 CO -0.04 0.30 -0.26 -0.07 0.00 0.00 0.00 179.25 179.18 2ng1 h LEU 257 N 0.21 0.00 0.00 0.00 3.38 -1.15 -3.32 115.31 114.43 2ng1 h LEU 257 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ng1 h LEU 257 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2ng1 h LEU 257 CO 0.01 0.10 -1.33 -1.20 0.09 0.00 0.00 178.44 176.12 2ng1 n SER 258 N -3.06 0.80 -0.16 -0.43 7.64 0.11 -4.66 113.62 113.87 2ng1 n SER 258 Ca 0.03 -0.49 -0.13 0.00 1.01 0.00 0.00 58.87 59.29 2ng1 n SER 258 Cb 0.58 1.40 -0.09 0.00 -1.01 0.00 0.00 64.21 65.09 2ng1 n SER 258 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ng1 h ALA 259 N 2.16 -0.74 -0.21 -0.43 0.00 -0.95 0.48 119.26 119.57 2ng1 h ALA 259 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2ng1 h ALA 259 Cb 0.63 1.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2ng1 h ALA 259 CO 0.00 -1.01 0.19 -0.09 0.00 0.00 0.00 179.25 178.34 2ng1 h ARG 260 N -0.34 0.00 0.13 0.00 2.43 -1.78 0.47 114.38 115.29 2ng1 h ARG 260 Ca 0.08 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 2ng1 h ARG 260 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2ng1 h ARG 260 CO -0.60 0.00 -1.42 1.25 -1.51 0.00 0.00 179.97 177.69 2ng1 h HIS 261 N 0.00 0.52 -0.04 2.20 2.76 -1.41 -2.20 115.15 116.97 2ng1 h HIS 261 Ca 0.10 -0.38 -0.05 0.00 -2.20 0.00 0.00 60.37 57.85 2ng1 h HIS 261 Cb 0.48 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2ng1 h HIS 261 CO 0.00 1.56 -0.16 0.28 -1.30 0.00 0.00 177.93 178.30 2ng1 h VAL 262 N -0.22 1.47 0.06 5.26 2.07 0.44 -3.38 116.25 121.95 2ng1 h VAL 262 Ca -0.30 -1.63 -0.33 0.00 0.82 0.00 0.00 66.70 65.27 2ng1 h VAL 262 Cb 1.82 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 34.00 2ng1 h VAL 262 CO 0.09 0.45 -1.84 0.35 0.02 0.00 0.00 177.57 176.64 2ng1 n THR 263 N -4.60 1.70 -0.94 2.57 -2.24 0.16 -4.97 114.28 105.96 2ng1 n THR 263 Ca -0.09 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2ng1 n THR 263 Cb 0.41 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2ng1 n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ng1 n GLY 264 N 1.76 0.80 3.80 3.38 0.00 -0.83 -5.03 105.19 109.07 2ng1 n GLY 264 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2ng1 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ng1 s LYS 265 N -0.06 2.94 0.28 1.61 -0.14 -1.26 -5.04 119.74 118.07 2ng1 s LYS 265 Ca 0.00 -0.73 -0.14 0.00 -1.36 0.00 0.00 55.97 53.74 2ng1 s LYS 265 Cb 0.00 -2.73 -0.08 0.00 -1.68 0.00 0.00 37.83 33.34 2ng1 s LYS 265 CO 0.00 0.54 0.68 -1.25 -0.76 0.00 0.00 175.35 174.56 2ng1 s PRO 266 N -2.67 3.97 -0.39 -1.68 0.04 -1.26 -4.37 135.00 128.64 2ng1 s PRO 266 Ca 0.30 0.58 -0.19 0.00 0.04 0.00 0.00 61.00 61.73 2ng1 s PRO 266 Cb -0.11 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2ng1 s PRO 266 CO 0.23 0.23 0.58 0.42 0.04 0.00 0.00 177.00 178.50 2ng1 s ILE 267 N -1.88 4.93 -0.08 0.56 1.01 -1.26 -0.81 121.20 123.68 2ng1 s ILE 267 Ca 0.51 0.24 -0.21 0.00 0.00 0.00 0.00 60.65 61.19 2ng1 s ILE 267 Cb -0.11 -4.08 -0.29 0.00 0.01 0.00 0.00 42.46 37.98 2ng1 s ILE 267 CO 0.19 -0.39 0.77 1.88 0.00 0.00 0.00 174.94 177.38 2ng1 h TYR 268 N 8.64 0.46 -3.23 3.97 0.05 -1.44 -3.41 116.97 122.01 2ng1 h TYR 268 Ca -0.27 -0.33 -0.45 0.00 0.05 0.00 0.00 58.73 57.73 2ng1 h TYR 268 Cb 1.11 -0.02 -0.16 0.00 1.01 0.00 0.00 36.73 38.67 2ng1 h TYR 268 CO 0.72 1.36 -0.75 -0.06 -1.05 0.00 0.00 178.16 178.37 2ng1 s PHE 269 N -2.42 1.63 0.01 4.88 0.08 -1.23 -0.17 117.98 120.75 2ng1 s PHE 269 Ca -0.16 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.38 2ng1 s PHE 269 Cb 0.02 -0.80 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2ng1 s PHE 269 CO 0.79 0.27 -0.12 0.00 -0.10 0.00 0.00 175.22 176.07 2ng1 s ALA 270 N -2.50 1.00 -0.27 5.36 0.00 0.22 -2.00 121.76 123.57 2ng1 s ALA 270 Ca 0.16 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 2ng1 s ALA 270 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2ng1 s ALA 270 CO 0.05 0.22 0.36 0.20 0.00 0.00 0.00 175.76 176.60 2ng1 s GLY 271 N -0.56 1.88 0.00 0.00 0.00 0.92 -1.06 107.32 108.49 2ng1 s GLY 271 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2ng1 s GLY 271 CO 0.00 0.97 0.48 3.33 0.00 0.00 0.00 173.10 177.87 2ng1 n VAL 272 N 5.11 0.03 -3.52 1.40 0.24 -0.08 -0.71 118.33 120.79 2ng1 n VAL 272 Ca -0.09 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.34 61.66 2ng1 n VAL 272 Cb 0.51 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.92 2ng1 n VAL 272 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ng1 s SER 273 N -0.03 -0.33 0.00 -1.34 1.04 -1.25 -4.29 113.70 107.51 2ng1 s SER 273 Ca 0.00 -0.02 0.30 0.00 0.48 0.00 0.00 55.95 56.72 2ng1 s SER 273 Cb 0.00 0.36 1.56 0.00 0.10 0.00 0.00 66.02 68.04 2ng1 s SER 273 CO 0.00 -0.59 2.05 -1.84 0.98 0.00 0.00 173.24 173.84 2ng1 n GLU 274 N -0.24 0.79 -2.19 4.02 0.00 -1.26 -4.41 120.64 117.35 2ng1 n GLU 274 Ca -0.08 -0.13 -0.34 0.00 0.00 0.00 0.00 57.16 56.62 2ng1 n GLU 274 Cb 0.61 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.56 2ng1 n GLU 274 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2ng1 s LYS 275 N -2.30 3.35 0.33 3.44 -0.14 -1.26 -4.89 119.74 118.27 2ng1 s LYS 275 Ca 0.36 1.43 0.10 0.00 -1.36 0.00 0.00 55.97 56.51 2ng1 s LYS 275 Cb 0.21 -2.02 0.89 0.00 -1.68 0.00 0.00 37.83 35.23 2ng1 s LYS 275 CO 0.42 -0.82 1.76 -1.35 -0.76 0.00 0.00 175.35 174.60 2ng1 h PRO 276 N 0.92 0.58 -0.16 -1.68 0.11 -2.00 0.59 132.00 130.36 2ng1 h PRO 276 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ng1 h PRO 276 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2ng1 h PRO 276 CO 0.57 0.38 0.00 -0.85 -0.21 0.00 0.00 178.00 177.89 2ng1 n GLU 277 N -4.78 1.71 0.23 1.05 0.00 -1.26 -4.27 120.64 113.32 2ng1 n GLU 277 Ca 0.25 -1.07 0.12 0.00 0.00 0.00 0.00 57.16 56.47 2ng1 n GLU 277 Cb 0.71 -1.39 0.66 0.00 0.00 0.00 0.00 31.44 31.42 2ng1 n GLU 277 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2ng1 h GLY 278 N 5.02 0.00 -5.45 -1.84 0.00 -0.02 -3.41 103.07 97.37 2ng1 h GLY 278 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2ng1 h GLY 278 CO 0.00 0.00 -0.06 -2.27 0.00 0.00 0.00 176.54 174.21 2ng1 s LEU 279 N -4.91 4.27 0.05 3.11 2.96 -1.26 -0.90 118.68 122.00 2ng1 s LEU 279 Ca -0.03 0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 54.77 2ng1 s LEU 279 Cb 0.07 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 2ng1 s LEU 279 CO 0.22 -0.06 0.00 -1.83 -1.32 0.00 0.00 176.35 173.36 2ng1 s GLU 280 N 0.81 0.60 0.52 1.98 -1.05 -0.23 -4.96 118.70 116.37 2ng1 s GLU 280 Ca 0.29 -1.09 -0.22 0.00 -0.15 0.00 0.00 54.97 53.80 2ng1 s GLU 280 Cb -0.16 0.21 -0.07 0.00 -0.44 0.00 0.00 34.13 33.68 2ng1 s GLU 280 CO 0.12 -0.12 1.18 -2.30 0.95 0.00 0.00 175.26 175.09 2ng1 n PRO 281 N 0.32 1.47 -2.90 -4.83 -0.02 -1.26 -0.61 135.00 127.16 2ng1 n PRO 281 Ca -0.16 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 2ng1 n PRO 281 Cb 0.60 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 2ng1 n PRO 281 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ng1 s PHE 282 N -1.33 3.54 -0.39 6.00 5.36 0.76 -4.65 117.98 127.27 2ng1 s PHE 282 Ca 0.69 1.37 0.03 0.00 -0.96 0.00 0.00 56.93 58.07 2ng1 s PHE 282 Cb -0.45 -2.97 0.11 0.00 -0.34 0.00 0.00 43.02 39.37 2ng1 s PHE 282 CO 0.51 -0.06 0.11 0.71 -1.46 0.00 0.00 175.22 175.03 2ng1 s TYR 283 N 1.37 3.64 0.24 10.12 1.51 -1.26 -4.27 117.35 128.69 2ng1 s TYR 283 Ca 0.42 -2.98 -0.06 0.00 -1.01 0.00 0.00 57.07 53.43 2ng1 s TYR 283 Cb -0.18 -2.94 0.29 0.00 -0.11 0.00 0.00 41.96 39.01 2ng1 s TYR 283 CO 0.18 -0.91 1.88 -1.35 -1.11 0.00 0.00 175.55 174.25 2ng1 h PRO 284 N 7.43 1.09 -0.58 -1.71 0.11 -1.88 0.06 132.00 136.52 2ng1 h PRO 284 Ca -0.06 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 2ng1 h PRO 284 Cb 1.00 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 2ng1 h PRO 284 CO 0.57 0.72 0.25 1.05 -0.21 0.00 0.00 178.00 180.38 2ng1 h GLU 285 N 1.12 0.85 -0.33 1.05 4.11 -1.84 -0.85 114.58 118.69 2ng1 h GLU 285 Ca 0.36 -0.14 -0.06 0.00 0.07 0.00 0.00 59.36 59.59 2ng1 h GLU 285 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2ng1 h GLU 285 CO -0.12 0.72 -0.04 -0.09 0.07 0.00 0.00 179.01 179.54 2ng1 h ARG 286 N 0.79 0.60 -0.25 1.06 2.43 -1.77 -1.50 114.38 115.74 2ng1 h ARG 286 Ca 0.19 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2ng1 h ARG 286 Cb 0.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2ng1 h ARG 286 CO -0.02 0.76 -0.05 1.25 -1.51 0.00 0.00 179.97 180.40 2ng1 h LEU 287 N 0.39 0.36 -0.06 3.80 5.85 -0.84 -1.21 115.31 123.60 2ng1 h LEU 287 Ca 0.09 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2ng1 h LEU 287 Cb 0.51 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2ng1 h LEU 287 CO 0.02 0.47 -0.03 0.00 -0.34 0.00 0.00 178.44 178.56 2ng1 h ALA 288 N 1.58 0.08 -0.74 1.25 0.00 -0.93 -1.29 119.26 119.21 2ng1 h ALA 288 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ng1 h ALA 288 Cb 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2ng1 h ALA 288 CO 0.01 -0.17 0.46 0.78 0.00 0.00 0.00 179.25 180.34 2ng1 h GLY 289 N -0.27 1.05 0.90 0.00 0.00 -1.08 -2.12 103.07 101.54 2ng1 h GLY 289 Ca 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2ng1 h GLY 289 CO 0.01 0.40 0.03 3.21 0.00 0.00 0.00 176.54 180.19 2ng1 h ARG 290 N 1.01 0.55 -0.76 4.80 3.08 -1.11 0.24 114.38 122.19 2ng1 h ARG 290 Ca 0.27 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.20 2ng1 h ARG 290 Cb -0.08 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 2ng1 h ARG 290 CO -0.05 0.66 0.50 0.82 -1.07 0.00 0.00 179.97 180.83 2ng1 h ILE 291 N 0.37 1.08 -0.25 2.04 2.04 -0.74 0.21 117.51 122.25 2ng1 h ILE 291 Ca 0.10 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2ng1 h ILE 291 Cb 0.39 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2ng1 h ILE 291 CO 0.01 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.50 2ng1 n LEU 292 N -4.47 2.03 0.00 1.44 4.77 -0.84 -4.29 117.00 115.65 2ng1 n LEU 292 Ca 0.10 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2ng1 n LEU 292 Cb 0.16 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2ng1 n LEU 292 CO 0.34 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2ng1 n GLY 293 N 0.64 1.96 0.00 -0.72 0.00 0.74 -4.94 105.19 102.87 2ng1 n GLY 293 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2ng1 n GLY 293 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35