#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne9 s VAL 2 N 0.00 5.13 0.09 -1.45 1.01 -1.26 -1.16 120.40 122.76 1ne9 s VAL 2 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1ne9 s VAL 2 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1ne9 s VAL 2 CO 0.00 0.52 1.19 -0.22 0.00 0.00 0.00 175.10 176.59 1ne9 s LEU 3 N -0.21 4.39 -0.56 3.92 2.96 0.77 -4.98 118.68 124.97 1ne9 s LEU 3 Ca 0.09 2.05 -0.21 0.00 -0.22 0.00 0.00 54.13 55.85 1ne9 s LEU 3 Cb -0.12 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.05 1ne9 s LEU 3 CO 0.01 -0.44 0.77 0.21 -1.32 0.00 0.00 176.35 175.58 1ne9 s ASN 4 N 0.84 6.23 0.24 3.68 3.84 -1.26 -4.70 114.94 123.82 1ne9 s ASN 4 Ca 0.57 -0.89 0.18 0.00 0.21 0.00 0.00 52.86 52.93 1ne9 s ASN 4 Cb -0.30 -2.35 0.91 0.00 -0.55 0.00 0.00 41.25 38.97 1ne9 s ASN 4 CO 0.31 -1.10 1.56 0.18 -2.79 0.00 0.00 177.10 175.25 1ne9 n LEU 5 N 6.75 0.47 -0.66 3.21 4.77 -1.26 -1.20 117.00 129.07 1ne9 n LEU 5 Ca -0.05 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 1ne9 n LEU 5 Cb 0.45 -0.70 0.37 0.00 -2.33 0.00 0.00 43.42 41.21 1ne9 n LEU 5 CO 0.59 -0.75 0.78 0.59 -1.33 0.00 0.00 177.39 177.26 1ne9 n ASN 6 N -2.09 2.06 -4.28 -1.43 5.03 -1.26 -4.70 115.26 108.60 1ne9 n ASN 6 Ca -0.00 -1.69 -0.44 0.00 0.87 0.00 0.00 54.58 53.31 1ne9 n ASN 6 Cb 0.08 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.77 1ne9 n ASN 6 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ne9 s ASP 7 N -1.96 6.08 0.33 6.41 -1.08 -0.34 -4.95 116.67 121.15 1ne9 s ASP 7 Ca 0.34 -1.97 0.09 0.00 -0.52 0.00 0.00 52.55 50.49 1ne9 s ASP 7 Cb 0.21 -2.14 0.82 0.00 -1.46 0.00 0.00 42.92 40.35 1ne9 s ASP 7 CO 0.32 -0.76 1.78 -0.65 0.52 0.00 0.00 175.17 176.38 1ne9 h PRO 8 N 8.57 0.66 0.01 4.34 0.11 -1.84 0.50 132.00 144.34 1ne9 h PRO 8 Ca -0.22 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ne9 h PRO 8 Cb 1.08 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ne9 h PRO 8 CO 0.94 0.44 -0.00 0.37 -0.21 0.00 0.00 178.00 179.54 1ne9 h GLN 9 N 0.68 -0.01 -0.59 1.05 4.15 -1.95 -0.33 115.11 118.12 1ne9 h GLN 9 Ca 0.57 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.97 1ne9 h GLN 9 Cb 0.99 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 1ne9 h GLN 9 CO -0.35 0.21 0.31 0.00 -1.93 0.00 0.00 178.83 177.07 1ne9 h ALA 10 N 0.76 0.76 -0.62 3.38 0.00 -1.66 -1.81 119.26 120.06 1ne9 h ALA 10 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ne9 h ALA 10 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ne9 h ALA 10 CO 0.00 0.29 0.24 0.28 0.00 0.00 0.00 179.25 180.07 1ne9 h VAL 11 N 0.80 1.23 -0.76 0.00 2.07 -0.83 -1.12 116.25 117.64 1ne9 h VAL 11 Ca 0.20 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1ne9 h VAL 11 Cb 0.07 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1ne9 h VAL 11 CO -0.03 0.29 0.28 -0.08 0.02 0.00 0.00 177.57 178.06 1ne9 h GLU 12 N 0.88 1.15 -0.59 1.57 4.57 -0.80 0.81 114.58 122.17 1ne9 h GLU 12 Ca 0.21 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1ne9 h GLU 12 Cb 0.22 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1ne9 h GLU 12 CO -0.02 0.95 -0.05 -0.09 -1.18 0.00 0.00 179.01 178.63 1ne9 h ARG 13 N 1.11 1.07 -0.20 1.92 2.43 -1.06 0.76 114.38 120.41 1ne9 h ARG 13 Ca 0.25 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1ne9 h ARG 13 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1ne9 h ARG 13 CO -0.02 1.07 0.06 -0.92 -1.51 0.00 0.00 179.97 178.65 1ne9 h TYR 14 N 0.96 0.32 -0.74 2.20 3.20 -0.85 -2.02 116.97 120.05 1ne9 h TYR 14 Ca 0.16 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1ne9 h TYR 14 Cb 0.62 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1ne9 h TYR 14 CO 0.04 0.40 0.34 0.93 -1.64 0.00 0.00 178.16 178.23 1ne9 h GLU 15 N 0.15 1.08 -0.83 1.82 4.39 -0.66 -1.59 114.58 118.94 1ne9 h GLU 15 Ca 0.06 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ne9 h GLU 15 Cb 0.23 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1ne9 h GLU 15 CO -0.00 0.86 0.53 1.49 -1.16 0.00 0.00 179.01 180.72 1ne9 h GLU 16 N 1.04 1.11 -0.00 2.33 4.57 -0.71 0.15 114.58 123.08 1ne9 h GLU 16 Ca 0.25 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1ne9 h GLU 16 Cb 0.15 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1ne9 h GLU 16 CO -0.03 0.76 0.00 0.35 -1.18 0.00 0.00 179.01 178.91 1ne9 h PHE 17 N 1.14 0.00 -0.18 0.92 3.57 -0.95 -1.73 116.94 119.70 1ne9 h PHE 17 Ca 0.30 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1ne9 h PHE 17 Cb -0.09 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1ne9 h PHE 17 CO -0.01 0.09 0.12 0.52 -2.23 0.00 0.00 178.31 176.80 1ne9 h MET 18 N -0.09 0.24 -0.03 1.11 2.86 -0.82 -0.76 114.93 117.45 1ne9 h MET 18 Ca 0.00 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1ne9 h MET 18 Cb 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1ne9 h MET 18 CO -0.00 0.18 -0.26 0.00 1.06 0.00 0.00 176.91 177.89 1ne9 h ARG 19 N 0.23 0.05 0.00 1.72 3.08 -0.67 -3.12 114.38 115.67 1ne9 h ARG 19 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ne9 h ARG 19 Cb -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1ne9 h ARG 19 CO -0.01 0.31 -1.11 1.04 -1.07 0.00 0.00 179.97 179.13 1ne9 n GLN 20 N -4.21 0.34 -2.35 0.04 1.13 -0.66 -4.52 117.38 107.17 1ne9 n GLN 20 Ca -0.02 -0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.63 1ne9 n GLN 20 Cb 0.33 -1.61 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 1ne9 n GLN 20 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ne9 s SER 21 N -4.09 7.09 0.10 1.08 0.15 -0.30 -4.88 113.70 112.84 1ne9 s SER 21 Ca 0.02 2.40 0.16 0.00 0.70 0.00 0.00 55.95 59.24 1ne9 s SER 21 Cb 0.14 -2.63 0.70 0.00 -1.71 0.00 0.00 66.02 62.52 1ne9 s SER 21 CO 0.81 -0.29 1.51 -0.81 1.20 0.00 0.00 173.24 175.66 1ne9 n PRO 22 N 1.24 0.07 -0.20 5.44 -0.04 -1.26 -1.38 135.00 138.86 1ne9 n PRO 22 Ca -0.00 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1ne9 n PRO 22 Cb 0.44 -1.64 0.22 0.00 -0.04 0.00 0.00 33.50 32.48 1ne9 n PRO 22 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ne9 n TYR 23 N -1.76 0.52 -1.72 0.54 4.02 -1.26 -4.34 117.16 113.16 1ne9 n TYR 23 Ca 0.03 -0.27 -0.40 0.00 -0.01 0.00 0.00 57.90 57.24 1ne9 n TYR 23 Cb 0.17 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.51 1ne9 n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ne9 n GLY 24 N 1.48 0.65 2.93 2.72 0.00 -0.48 -4.68 105.19 107.81 1ne9 n GLY 24 Ca 0.19 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 1ne9 n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ne9 s GLN 25 N -2.38 0.42 0.40 1.61 -1.52 -1.26 -4.32 119.66 112.60 1ne9 s GLN 25 Ca 0.63 -0.13 0.07 0.00 -1.95 0.00 0.00 55.36 53.98 1ne9 s GLN 25 Cb -0.48 -0.43 0.81 0.00 -0.22 0.00 0.00 33.01 32.70 1ne9 s GLN 25 CO 0.56 0.06 2.00 -0.24 -0.25 0.00 0.00 175.29 177.41 1ne9 h VAL 26 N 5.29 1.13 0.00 1.09 3.04 -1.95 -0.11 116.25 124.75 1ne9 h VAL 26 Ca -0.31 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1ne9 h VAL 26 Cb 1.18 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1ne9 h VAL 26 CO 0.50 0.16 0.00 0.35 -1.01 0.00 0.00 177.57 177.57 1ne9 n THR 27 N -4.40 0.15 0.57 3.17 -2.24 -1.26 -1.60 114.28 108.67 1ne9 n THR 27 Ca 0.02 0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 1ne9 n THR 27 Cb 0.14 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 1ne9 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ne9 n GLN 28 N -1.14 2.23 -2.31 -0.78 1.13 -0.09 -4.56 117.38 111.85 1ne9 n GLN 28 Ca 0.14 -0.49 -0.35 0.00 -1.94 0.00 0.00 57.00 54.36 1ne9 n GLN 28 Cb 0.13 -1.14 -0.01 0.00 0.11 0.00 0.00 30.24 29.33 1ne9 n GLN 28 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ne9 s ASP 29 N -1.76 5.86 0.48 1.08 -1.08 -0.63 -4.58 116.67 116.04 1ne9 s ASP 29 Ca 0.09 2.11 0.33 0.00 -0.52 0.00 0.00 52.55 54.55 1ne9 s ASP 29 Cb 0.10 -2.57 1.61 0.00 -1.46 0.00 0.00 42.92 40.60 1ne9 s ASP 29 CO 0.37 -1.12 1.99 -0.07 0.52 0.00 0.00 175.17 176.86 1ne9 h LEU 30 N 1.25 0.00 -1.42 -1.34 3.38 -1.94 -0.97 115.31 114.27 1ne9 h LEU 30 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1ne9 h LEU 30 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ne9 h LEU 30 CO 0.57 0.00 -0.04 1.23 0.09 0.00 0.00 178.44 180.29 1ne9 h GLY 31 N 0.88 0.00 1.89 0.83 0.00 -1.90 -2.77 103.07 102.01 1ne9 h GLY 31 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1ne9 h GLY 31 CO 0.00 0.00 -0.31 -0.25 0.00 0.00 0.00 176.54 175.98 1ne9 h TRP 32 N 0.00 0.14 0.00 5.60 2.91 -1.37 -2.04 115.95 121.18 1ne9 h TRP 32 Ca -0.00 -0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.94 1ne9 h TRP 32 Cb 0.55 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 1ne9 h TRP 32 CO 0.00 0.42 -0.23 0.00 -1.03 0.00 0.00 178.44 177.60 1ne9 h ALA 33 N 1.58 1.50 -0.07 2.65 0.00 -1.65 -0.04 119.26 123.23 1ne9 h ALA 33 Ca 0.02 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1ne9 h ALA 33 Cb 0.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ne9 h ALA 33 CO 0.04 0.29 -0.62 0.87 0.00 0.00 0.00 179.25 179.84 1ne9 h LYS 34 N 0.00 0.25 -0.02 0.00 1.57 -1.49 -2.94 116.57 113.94 1ne9 h LYS 34 Ca -0.00 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1ne9 h LYS 34 Cb 0.44 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ne9 h LYS 34 CO 0.03 0.79 -0.03 0.28 -0.57 0.00 0.00 179.45 179.95 1ne9 h VAL 35 N 0.18 1.43 -1.16 0.50 2.07 -1.10 -3.23 116.25 114.94 1ne9 h VAL 35 Ca -0.01 -1.33 -0.74 0.00 0.82 0.00 0.00 66.70 65.43 1ne9 h VAL 35 Cb 1.13 2.29 -0.12 0.00 -1.52 0.00 0.00 31.29 33.07 1ne9 h VAL 35 CO 0.10 0.35 2.40 0.29 0.02 0.00 0.00 177.57 180.73 1ne9 n LYS 36 N -4.77 4.52 0.02 1.57 4.76 -0.13 -4.73 118.16 119.40 1ne9 n LYS 36 Ca -0.08 -3.46 0.04 0.00 -2.87 0.00 0.00 58.31 51.94 1ne9 n LYS 36 Cb 0.30 -2.66 0.19 0.00 -1.84 0.00 0.00 35.03 31.02 1ne9 n LYS 36 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1ne9 n ASN 37 N 1.91 0.08 -0.90 4.39 6.94 -1.12 -1.53 115.26 125.02 1ne9 n ASN 37 Ca 0.61 0.53 0.12 0.00 -0.02 0.00 0.00 54.58 55.82 1ne9 n ASN 37 Cb 0.25 -0.54 0.24 0.00 -2.36 0.00 0.00 39.78 37.37 1ne9 n ASN 37 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ne9 n ASN 38 N -1.59 2.76 -4.77 0.53 5.03 -1.26 -4.89 115.26 111.07 1ne9 n ASN 38 Ca 0.01 -1.89 -0.25 0.00 0.87 0.00 0.00 54.58 53.33 1ne9 n ASN 38 Cb 0.08 -0.10 -0.06 0.00 -1.02 0.00 0.00 39.78 38.69 1ne9 n ASN 38 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1ne9 s TRP 39 N -1.81 3.05 -0.22 3.10 0.52 -0.58 -4.94 118.94 118.06 1ne9 s TRP 39 Ca 0.34 -0.08 -0.14 0.00 0.02 0.00 0.00 56.10 56.24 1ne9 s TRP 39 Cb 0.21 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 31.05 1ne9 s TRP 39 CO 0.31 0.53 0.32 -2.00 0.02 0.00 0.00 176.95 176.12 1ne9 s GLU 40 N -3.30 4.13 0.09 4.98 2.12 -0.26 -4.81 118.70 121.64 1ne9 s GLU 40 Ca 0.31 0.04 -0.23 0.00 0.36 0.00 0.00 54.97 55.45 1ne9 s GLU 40 Cb -0.09 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.69 1ne9 s GLU 40 CO 0.23 -0.02 0.71 -1.25 -0.54 0.00 0.00 175.26 174.38 1ne9 s PRO 41 N 1.28 4.44 -0.16 4.30 0.04 -1.26 0.57 135.00 144.20 1ne9 s PRO 41 Ca 0.15 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 1ne9 s PRO 41 Cb -0.14 -3.30 0.07 0.00 0.04 0.00 0.00 34.50 31.16 1ne9 s PRO 41 CO 0.07 0.47 0.14 0.08 0.04 0.00 0.00 177.00 177.79 1ne9 s VAL 42 N -0.66 -0.19 -0.07 -0.36 1.01 -0.50 -4.97 120.40 114.67 1ne9 s VAL 42 Ca 0.35 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1ne9 s VAL 42 Cb -0.21 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1ne9 s VAL 42 CO 0.22 -0.17 -0.19 -1.81 0.00 0.00 0.00 175.10 173.15 1ne9 s ASP 43 N 2.22 3.59 0.22 3.32 1.01 -1.26 -0.76 116.67 125.00 1ne9 s ASP 43 Ca 0.04 -0.37 0.04 0.00 0.71 0.00 0.00 52.55 52.97 1ne9 s ASP 43 Cb -0.15 -1.02 -0.05 0.00 1.01 0.00 0.00 42.92 42.71 1ne9 s ASP 43 CO -0.09 0.26 -0.02 0.68 0.21 0.00 0.00 175.17 176.20 1ne9 s VAL 44 N -0.23 1.10 0.22 -1.27 -7.23 -0.52 -0.16 120.40 112.31 1ne9 s VAL 44 Ca -0.00 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 57.95 1ne9 s VAL 44 Cb -0.13 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.56 1ne9 s VAL 44 CO 0.03 -0.39 0.55 -0.72 -0.31 0.00 0.00 175.10 174.26 1ne9 s TYR 45 N -3.38 -0.02 0.11 2.82 -0.85 -0.31 -0.76 117.35 114.96 1ne9 s TYR 45 Ca 0.27 -0.35 0.09 0.00 -0.52 0.00 0.00 57.07 56.55 1ne9 s TYR 45 Cb 0.05 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 1ne9 s TYR 45 CO 0.08 -1.00 -0.22 -0.51 -1.52 0.00 0.00 175.55 172.38 1ne9 s LEU 46 N -2.92 2.31 0.19 -3.49 1.43 0.45 -0.32 118.68 116.33 1ne9 s LEU 46 Ca 0.13 -0.70 0.10 0.00 -1.03 0.00 0.00 54.13 52.63 1ne9 s LEU 46 Cb -0.02 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1ne9 s LEU 46 CO 0.02 0.07 -0.15 -1.61 0.23 0.00 0.00 176.35 174.91 1ne9 s GLU 47 N -1.95 1.86 0.15 1.70 2.02 -1.26 -0.92 118.70 120.29 1ne9 s GLU 47 Ca 0.08 -1.39 -0.01 0.00 0.02 0.00 0.00 54.97 53.67 1ne9 s GLU 47 Cb -0.10 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.13 1ne9 s GLU 47 CO 0.05 0.42 0.20 -0.40 0.02 0.00 0.00 175.26 175.54 1ne9 n ASP 48 N 0.06 0.15 0.11 -0.19 3.85 0.54 -4.80 116.55 116.27 1ne9 n ASP 48 Ca -0.11 -1.16 0.10 0.00 -0.71 0.00 0.00 54.79 52.91 1ne9 n ASP 48 Cb 0.56 -0.14 0.45 0.00 -1.35 0.00 0.00 41.12 40.63 1ne9 n ASP 48 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1ne9 n ASP 49 N -3.05 0.48 -0.81 -1.12 8.00 -1.26 -1.16 116.55 117.61 1ne9 n ASP 49 Ca 0.03 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.31 1ne9 n ASP 49 Cb 0.11 -0.75 0.26 0.00 -0.02 0.00 0.00 41.12 40.72 1ne9 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ne9 n GLN 50 N -2.07 2.11 -0.83 -1.24 3.00 -1.26 -4.94 117.38 112.15 1ne9 n GLN 50 Ca 0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1ne9 n GLN 50 Cb 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.90 1ne9 n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ne9 n GLY 51 N 1.30 0.87 3.82 1.08 0.00 -0.31 -5.03 105.19 106.92 1ne9 n GLY 51 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1ne9 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ne9 s ALA 52 N -3.44 3.28 0.16 4.61 0.00 -1.26 -4.69 121.76 120.41 1ne9 s ALA 52 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 1ne9 s ALA 52 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1ne9 s ALA 52 CO 0.00 0.26 1.51 0.42 0.00 0.00 0.00 175.76 177.96 1ne9 s ILE 53 N -1.80 2.81 -0.04 0.00 1.01 -1.26 -0.34 121.20 121.58 1ne9 s ILE 53 Ca 0.51 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.78 1ne9 s ILE 53 Cb -0.14 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1ne9 s ILE 53 CO 0.19 0.05 0.08 0.00 0.00 0.00 0.00 174.94 175.26 1ne9 n ILE 54 N 3.87 0.00 -3.60 2.92 3.06 -0.10 -4.84 119.36 120.67 1ne9 n ILE 54 Ca 0.13 -0.18 -0.15 0.00 -2.50 0.00 0.00 62.75 60.05 1ne9 n ILE 54 Cb 0.40 0.60 -0.07 0.00 0.54 0.00 0.00 39.64 41.11 1ne9 n ILE 54 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ne9 s ALA 55 N -1.92 -1.70 0.02 1.51 0.00 -1.18 -4.78 121.76 113.71 1ne9 s ALA 55 Ca -0.00 1.70 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 1ne9 s ALA 55 Cb 0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 1ne9 s ALA 55 CO 0.12 -0.34 0.14 0.00 0.00 0.00 0.00 175.76 175.68 1ne9 s ALA 56 N -0.19 -0.25 -0.11 0.00 0.00 -0.97 -0.41 121.76 119.83 1ne9 s ALA 56 Ca -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 1ne9 s ALA 56 Cb -0.03 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1ne9 s ALA 56 CO 0.04 -0.29 0.13 1.41 0.00 0.00 0.00 175.76 177.05 1ne9 s MET 57 N -2.12 0.03 -0.41 0.00 1.75 0.06 -0.51 119.30 118.10 1ne9 s MET 57 Ca -0.09 0.35 -0.17 0.00 -1.25 0.00 0.00 55.69 54.53 1ne9 s MET 57 Cb -0.04 -0.76 0.02 0.00 2.84 0.00 0.00 34.83 36.89 1ne9 s MET 57 CO -0.02 -0.43 0.41 -1.12 -0.65 0.00 0.00 175.02 173.21 1ne9 s SER 58 N 2.24 6.18 0.09 1.11 0.01 -1.26 -1.44 113.70 120.63 1ne9 s SER 58 Ca 0.04 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1ne9 s SER 58 Cb -0.13 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1ne9 s SER 58 CO -0.07 -0.52 0.19 -0.04 0.41 0.00 0.00 173.24 173.21 1ne9 s MET 59 N 2.07 3.27 -0.07 12.44 -1.94 0.06 -4.34 119.30 130.79 1ne9 s MET 59 Ca 0.11 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1ne9 s MET 59 Cb -0.17 -2.92 0.01 0.00 2.01 0.00 0.00 34.83 33.75 1ne9 s MET 59 CO 0.13 0.57 -0.15 -0.51 -0.01 0.00 0.00 175.02 175.05 1ne9 s LEU 60 N -2.69 1.78 -0.18 -0.03 1.43 0.17 -1.41 118.68 117.76 1ne9 s LEU 60 Ca 0.33 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1ne9 s LEU 60 Cb -0.12 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1ne9 s LEU 60 CO 0.26 0.08 0.06 -0.76 0.23 0.00 0.00 176.35 176.23 1ne9 s LEU 61 N 0.48 3.84 0.24 1.79 1.02 0.19 -0.73 118.68 125.52 1ne9 s LEU 61 Ca -0.14 0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.20 1ne9 s LEU 61 Cb -0.15 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.04 1ne9 s LEU 61 CO 0.05 0.19 -0.13 -0.83 0.02 0.00 0.00 176.35 175.65 1ne9 s GLY 62 N 0.25 1.64 0.65 -3.19 0.00 0.22 -1.10 107.32 105.79 1ne9 s GLY 62 Ca 0.04 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 42.87 1ne9 s GLY 62 CO 0.00 -1.83 1.05 0.99 0.00 0.00 0.00 173.10 173.31 1ne9 s ASP 63 N -3.40 5.95 0.30 1.64 1.01 -1.26 -0.28 116.67 120.63 1ne9 s ASP 63 Ca 0.26 1.35 0.05 0.00 0.71 0.00 0.00 52.55 54.92 1ne9 s ASP 63 Cb -0.01 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 1ne9 s ASP 63 CO 0.10 -1.04 0.22 0.42 0.21 0.00 0.00 175.17 175.08 1ne9 s THR 64 N -3.22 0.05 -2.00 -1.27 -4.23 -1.25 -4.72 115.64 99.00 1ne9 s THR 64 Ca 0.56 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.23 1ne9 s THR 64 Cb -0.11 -2.49 0.47 0.00 1.34 0.00 0.00 72.50 71.70 1ne9 s THR 64 CO 0.53 0.00 1.51 -2.65 -0.54 0.00 0.00 174.62 173.48 1ne9 n PRO 65 N -0.54 0.83 -3.26 3.99 -0.02 -1.26 -4.79 135.00 129.95 1ne9 n PRO 65 Ca 0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.35 1ne9 n PRO 65 Cb 0.64 -1.31 -0.02 0.00 -0.02 0.00 0.00 33.50 32.79 1ne9 n PRO 65 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ne9 n THR 66 N -0.81 0.00 1.91 3.45 -2.24 -1.26 -5.01 114.28 110.32 1ne9 n THR 66 Ca 0.12 -1.38 0.12 0.00 -2.27 0.00 0.00 64.05 60.64 1ne9 n THR 66 Cb 0.06 0.04 0.65 0.00 -2.10 0.00 0.00 70.33 68.97 1ne9 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ne9 n ASP 67 N -1.54 0.22 -4.73 3.42 3.85 -1.26 -4.84 116.55 111.66 1ne9 n ASP 67 Ca -0.07 -1.33 -0.28 0.00 -0.71 0.00 0.00 54.79 52.40 1ne9 n ASP 67 Cb 0.38 -0.01 -0.07 0.00 -1.35 0.00 0.00 41.12 40.07 1ne9 n ASP 67 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1ne9 s LYS 68 N -1.98 2.68 0.37 0.11 -0.14 -1.26 -5.00 119.74 114.51 1ne9 s LYS 68 Ca 0.35 -0.87 -0.01 0.00 -1.36 0.00 0.00 55.97 54.08 1ne9 s LYS 68 Cb 0.16 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 1ne9 s LYS 68 CO 0.27 0.51 0.60 0.15 -0.76 0.00 0.00 175.35 176.12 1ne9 s LYS 69 N -2.65 3.51 -0.29 1.68 -0.14 0.33 -3.87 119.74 118.30 1ne9 s LYS 69 Ca 0.28 -0.20 -0.08 0.00 -1.36 0.00 0.00 55.97 54.61 1ne9 s LYS 69 Cb -0.11 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.44 1ne9 s LYS 69 CO 0.20 0.08 0.10 0.12 -0.76 0.00 0.00 175.35 175.10 1ne9 s PHE 70 N -2.39 3.14 -0.25 3.18 5.36 0.62 -1.51 117.98 126.13 1ne9 s PHE 70 Ca 0.42 -0.74 -0.12 0.00 -0.96 0.00 0.00 56.93 55.52 1ne9 s PHE 70 Cb -0.10 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.25 1ne9 s PHE 70 CO 0.37 -0.50 0.25 0.00 -1.46 0.00 0.00 175.22 173.89 1ne9 s ALA 71 N 1.56 3.57 -0.06 11.12 0.00 -0.92 -0.61 121.76 136.43 1ne9 s ALA 71 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1ne9 s ALA 71 Cb -0.17 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1ne9 s ALA 71 CO 0.04 -0.39 -0.06 -0.47 0.00 0.00 0.00 175.76 174.88 1ne9 s TYR 72 N 1.47 0.94 -0.71 0.00 5.04 0.09 -0.77 117.35 123.41 1ne9 s TYR 72 Ca 0.11 -0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 54.41 1ne9 s TYR 72 Cb -0.15 -0.81 0.18 0.00 0.35 0.00 0.00 41.96 41.53 1ne9 s TYR 72 CO 0.08 -0.25 0.54 0.00 -1.34 0.00 0.00 175.55 174.57 1ne9 s ALA 73 N 1.07 3.80 -0.14 3.97 0.00 0.14 -0.66 121.76 129.95 1ne9 s ALA 73 Ca -0.08 -3.50 -0.33 0.00 0.00 0.00 0.00 51.96 48.04 1ne9 s ALA 73 Cb -0.14 -2.65 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 1ne9 s ALA 73 CO -0.01 -2.12 1.98 0.45 0.00 0.00 0.00 175.76 176.06 1ne9 n SER 74 N 2.96 3.27 -2.02 0.00 2.88 -1.26 -1.59 113.62 117.87 1ne9 n SER 74 Ca 0.13 0.79 -0.18 0.00 -1.33 0.00 0.00 58.87 58.28 1ne9 n SER 74 Cb 0.37 -1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 62.41 1ne9 n SER 74 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ne9 n LYS 75 N 7.19 -1.66 -3.37 -1.46 5.02 -1.23 -4.20 118.16 118.46 1ne9 n LYS 75 Ca 0.26 0.96 -0.22 0.00 -2.02 0.00 0.00 58.31 57.30 1ne9 n LYS 75 Cb 0.31 -5.47 0.01 0.00 -0.02 0.00 0.00 35.03 29.86 1ne9 n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ne9 n GLY 76 N -0.68 2.59 3.94 0.72 0.00 -0.62 -4.52 105.19 106.62 1ne9 n GLY 76 Ca -0.20 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.26 1ne9 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ne9 s PRO 77 N -4.07 0.66 -0.51 1.61 0.04 -1.26 -2.53 135.00 128.94 1ne9 s PRO 77 Ca 0.34 -0.55 -0.15 0.00 0.04 0.00 0.00 61.00 60.67 1ne9 s PRO 77 Cb -0.03 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.72 1ne9 s PRO 77 CO 0.21 -2.36 0.45 0.08 0.04 0.00 0.00 177.00 175.42 1ne9 s VAL 78 N -3.82 5.17 -2.11 -0.36 1.01 0.33 -4.89 120.40 115.73 1ne9 s VAL 78 Ca 0.74 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1ne9 s VAL 78 Cb -0.03 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1ne9 s VAL 78 CO 0.52 -0.74 0.00 1.15 0.00 0.00 0.00 175.10 176.03 1ne9 n MET 79 N 5.21 -2.95 -2.85 2.72 0.00 -1.26 -2.29 117.12 115.71 1ne9 n MET 79 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.14 1ne9 n MET 79 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.60 1ne9 n MET 79 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1ne9 s ASP 80 N -0.95 6.17 0.45 3.17 3.68 -1.26 -4.88 116.67 123.06 1ne9 s ASP 80 Ca 0.00 -0.97 0.31 0.00 2.13 0.00 0.00 52.55 54.02 1ne9 s ASP 80 Cb 0.00 -2.42 1.57 0.00 -1.45 0.00 0.00 42.92 40.62 1ne9 s ASP 80 CO 0.00 -1.45 1.94 0.58 0.13 0.00 0.00 175.17 176.37 1ne9 h VAL 81 N 5.98 0.00 0.00 1.11 2.07 -1.97 -1.04 116.25 122.39 1ne9 h VAL 81 Ca -0.29 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ne9 h VAL 81 Cb 1.07 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1ne9 h VAL 81 CO 1.19 0.00 0.00 0.35 0.02 0.00 0.00 177.57 179.13 1ne9 n THR 82 N -2.64 0.69 -2.40 2.57 -2.24 -1.26 -3.72 114.28 105.28 1ne9 n THR 82 Ca -0.01 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1ne9 n THR 82 Cb 0.12 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1ne9 n THR 82 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ne9 n ASP 83 N -2.07 4.79 0.12 3.42 4.64 -0.40 -4.79 116.55 122.26 1ne9 n ASP 83 Ca 0.04 -2.96 0.05 0.00 -1.38 0.00 0.00 54.79 50.54 1ne9 n ASP 83 Cb 0.30 -1.61 0.50 0.00 -1.04 0.00 0.00 41.12 39.26 1ne9 n ASP 83 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1ne9 h VAL 84 N 4.49 1.08 -0.53 5.18 2.07 -1.83 -0.31 116.25 126.40 1ne9 h VAL 84 Ca 0.43 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 1ne9 h VAL 84 Cb 0.75 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ne9 h VAL 84 CO 1.55 0.09 -0.01 0.44 0.02 0.00 0.00 177.57 179.66 1ne9 h ASP 85 N 0.28 0.89 -0.24 0.57 3.32 -1.93 0.17 116.42 119.47 1ne9 h ASP 85 Ca 0.07 -0.24 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 1ne9 h ASP 85 Cb 0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1ne9 h ASP 85 CO -0.01 0.96 -0.45 0.25 -1.72 0.00 0.00 179.24 178.27 1ne9 h LEU 86 N 0.84 0.87 -0.48 1.55 5.85 -1.76 -2.69 115.31 119.50 1ne9 h LEU 86 Ca 0.15 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1ne9 h LEU 86 Cb 0.52 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ne9 h LEU 86 CO 0.03 1.19 0.31 0.25 -0.34 0.00 0.00 178.44 179.88 1ne9 h LEU 87 N 0.65 0.53 -0.82 2.25 5.85 -0.56 -1.50 115.31 121.71 1ne9 h LEU 87 Ca 0.04 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1ne9 h LEU 87 Cb 1.02 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1ne9 h LEU 87 CO 0.10 0.39 0.47 0.44 -0.34 0.00 0.00 178.44 179.50 1ne9 h ASP 88 N 0.63 0.67 -0.58 1.25 3.32 -0.51 0.20 116.42 121.40 1ne9 h ASP 88 Ca 0.18 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1ne9 h ASP 88 Cb -0.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1ne9 h ASP 88 CO -0.05 0.39 0.17 0.03 -1.72 0.00 0.00 179.24 178.06 1ne9 h ARG 89 N 0.79 0.91 -0.45 3.56 3.08 -1.07 0.15 114.38 121.35 1ne9 h ARG 89 Ca 0.40 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1ne9 h ARG 89 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1ne9 h ARG 89 CO -0.25 0.83 -0.07 1.25 -1.07 0.00 0.00 179.97 180.66 1ne9 h LEU 90 N 0.82 0.84 -1.15 3.04 5.85 -0.33 -2.58 115.31 121.80 1ne9 h LEU 90 Ca 0.18 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1ne9 h LEU 90 Cb 0.31 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ne9 h LEU 90 CO -0.00 0.98 -0.01 0.58 -0.34 0.00 0.00 178.44 179.64 1ne9 h VAL 91 N 0.67 1.21 -0.81 1.05 2.07 -0.44 -1.37 116.25 118.63 1ne9 h VAL 91 Ca 0.12 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ne9 h VAL 91 Cb 0.59 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1ne9 h VAL 91 CO 0.04 0.29 0.46 0.44 0.02 0.00 0.00 177.57 178.82 1ne9 h ASP 92 N 0.54 1.00 -0.59 0.57 3.32 -0.68 0.20 116.42 120.78 1ne9 h ASP 92 Ca 0.11 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1ne9 h ASP 92 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1ne9 h ASP 92 CO 0.01 0.78 0.12 -0.33 -1.72 0.00 0.00 179.24 178.11 1ne9 h GLU 93 N 1.13 0.97 -0.38 3.56 4.39 -0.96 -1.73 114.58 121.56 1ne9 h GLU 93 Ca 0.29 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1ne9 h GLU 93 Cb -0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1ne9 h GLU 93 CO -0.05 0.90 0.11 0.00 -1.16 0.00 0.00 179.01 178.81 1ne9 h ALA 94 N 1.02 0.49 -0.87 3.43 0.00 -0.39 -1.65 119.26 121.30 1ne9 h ALA 94 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ne9 h ALA 94 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1ne9 h ALA 94 CO 0.01 0.14 0.57 0.28 0.00 0.00 0.00 179.25 180.25 1ne9 h VAL 95 N 0.46 1.23 -0.31 0.00 2.07 -0.47 -0.07 116.25 119.17 1ne9 h VAL 95 Ca 0.12 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1ne9 h VAL 95 Cb 0.26 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1ne9 h VAL 95 CO -0.00 0.22 0.18 0.11 0.02 0.00 0.00 177.57 178.10 1ne9 h LYS 96 N 1.19 0.42 -0.61 1.57 1.57 -1.10 -2.59 116.57 117.02 1ne9 h LYS 96 Ca 0.32 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1ne9 h LYS 96 Cb -0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1ne9 h LYS 96 CO -0.07 0.35 0.30 0.00 -0.57 0.00 0.00 179.45 179.46 1ne9 h ALA 97 N 1.05 1.39 0.00 3.86 0.00 -0.63 -1.99 119.26 122.94 1ne9 h ALA 97 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ne9 h ALA 97 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ne9 h ALA 97 CO -0.02 0.49 -0.18 -0.07 0.00 0.00 0.00 179.25 179.47 1ne9 h LEU 98 N 0.86 0.00 -1.62 0.00 3.38 -0.72 -3.47 115.31 113.73 1ne9 h LEU 98 Ca 0.21 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.65 1ne9 h LEU 98 Cb 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.69 1ne9 h LEU 98 CO -0.03 0.18 -0.88 -0.67 0.09 0.00 0.00 178.44 177.14 1ne9 n ASP 99 N -3.52 -1.32 0.00 -0.43 2.03 -0.75 -1.49 116.55 111.08 1ne9 n ASP 99 Ca -0.01 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.26 1ne9 n ASP 99 Cb 0.34 -2.79 0.00 0.00 -0.72 0.00 0.00 41.12 37.94 1ne9 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ne9 n GLY 100 N -1.83 0.36 0.17 0.27 0.00 -1.26 -4.88 105.19 98.03 1ne9 n GLY 100 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1ne9 n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ne9 h ARG 101 N 0.91 0.00 -6.37 1.61 3.08 -1.65 -3.46 114.38 108.49 1ne9 h ARG 101 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1ne9 h ARG 101 Cb 0.30 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.23 1ne9 h ARG 101 CO 0.00 0.36 -0.68 0.00 -1.07 0.00 0.00 179.97 178.59 1ne9 s ALA 102 N -3.19 3.23 -0.52 0.04 0.00 -1.26 -0.52 121.76 119.54 1ne9 s ALA 102 Ca 0.03 -1.13 0.24 0.00 0.00 0.00 0.00 51.96 51.10 1ne9 s ALA 102 Cb 0.08 -1.15 0.27 0.00 0.00 0.00 0.00 23.12 22.32 1ne9 s ALA 102 CO 0.71 0.69 1.28 0.10 0.00 0.00 0.00 175.76 178.54 1ne9 h TYR 103 N 3.52 0.00 -2.42 0.00 -0.00 -1.59 -3.40 116.97 113.08 1ne9 h TYR 103 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.21 1ne9 h TYR 103 Cb 1.17 0.00 -0.16 0.00 0.00 0.00 0.00 36.73 37.73 1ne9 h TYR 103 CO 0.60 0.00 0.21 0.54 -0.00 0.00 0.00 178.16 179.51 1ne9 s VAL 104 N -3.22 0.00 -0.22 -0.90 0.11 -1.26 -1.20 120.40 113.71 1ne9 s VAL 104 Ca 0.05 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1ne9 s VAL 104 Cb 0.12 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1ne9 s VAL 104 CO 0.73 0.00 -0.11 -0.22 -3.33 0.00 0.00 175.10 172.17 1ne9 s LEU 105 N -1.87 2.71 -0.07 2.54 2.96 -0.55 -2.16 118.68 122.24 1ne9 s LEU 105 Ca -0.06 -1.07 0.02 0.00 -0.22 0.00 0.00 54.13 52.80 1ne9 s LEU 105 Cb -0.00 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1ne9 s LEU 105 CO -0.00 -0.15 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.16 1ne9 s ARG 106 N 1.27 2.76 -0.01 1.98 3.52 0.05 -0.37 118.95 128.16 1ne9 s ARG 106 Ca -0.04 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1ne9 s ARG 106 Cb -0.17 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1ne9 s ARG 106 CO -0.07 0.55 0.02 -0.59 -0.81 0.00 0.00 175.30 174.39 1ne9 s PHE 107 N -0.53 -0.01 -0.61 5.12 -0.71 -0.65 -0.68 117.98 119.91 1ne9 s PHE 107 Ca 0.07 0.05 0.06 0.00 -1.04 0.00 0.00 56.93 56.07 1ne9 s PHE 107 Cb -0.12 -0.03 0.21 0.00 -1.21 0.00 0.00 43.02 41.87 1ne9 s PHE 107 CO 0.02 -0.02 0.58 -0.40 -1.34 0.00 0.00 175.22 174.05 1ne9 n ASP 108 N 3.26 2.58 -4.76 1.98 3.85 -1.23 -0.74 116.55 121.49 1ne9 n ASP 108 Ca -0.15 -3.15 -0.35 0.00 -0.71 0.00 0.00 54.79 50.44 1ne9 n ASP 108 Cb 0.58 -0.69 0.03 0.00 -1.35 0.00 0.00 41.12 39.70 1ne9 n ASP 108 CO 0.00 0.00 0.00 -2.16 -1.01 0.00 0.00 177.20 174.03 1ne9 s PRO 109 N -1.65 2.98 -1.42 0.11 0.04 -1.05 -3.48 135.00 130.52 1ne9 s PRO 109 Ca 0.33 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1ne9 s PRO 109 Cb 0.06 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1ne9 s PRO 109 CO -0.11 -1.15 2.36 0.39 0.04 0.00 0.00 177.00 178.53 1ne9 n GLU 110 N -1.78 3.69 -5.27 4.56 1.02 -1.26 -4.44 120.64 117.15 1ne9 n GLU 110 Ca 0.12 -2.95 -0.31 0.00 -0.02 0.00 0.00 57.16 54.00 1ne9 n GLU 110 Cb 0.51 -2.91 -0.16 0.00 -0.02 0.00 0.00 31.44 28.85 1ne9 n GLU 110 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ne9 s VAL 111 N 1.15 2.10 0.32 2.62 0.11 -1.26 -5.04 120.40 120.40 1ne9 s VAL 111 Ca 0.53 -1.07 -0.28 0.00 -2.93 0.00 0.00 61.98 58.22 1ne9 s VAL 111 Cb 0.15 -1.74 -0.13 0.00 -1.53 0.00 0.00 36.38 33.13 1ne9 s VAL 111 CO -0.06 0.58 1.25 0.00 -3.33 0.00 0.00 175.10 173.54 1ne9 n ALA 112 N 2.69 1.00 -1.78 1.54 0.00 -1.26 -0.62 120.51 122.08 1ne9 n ALA 112 Ca -0.17 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 1ne9 n ALA 112 Cb 0.51 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1ne9 n ALA 112 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ne9 s TYR 113 N -0.96 3.10 -0.11 0.00 5.04 0.86 -4.31 117.35 120.97 1ne9 s TYR 113 Ca 0.58 1.60 -0.30 0.00 -2.44 0.00 0.00 57.07 56.50 1ne9 s TYR 113 Cb -0.60 -3.22 0.09 0.00 0.35 0.00 0.00 41.96 38.57 1ne9 s TYR 113 CO 0.60 -0.97 0.78 -1.54 -1.34 0.00 0.00 175.55 173.08 1ne9 s SER 114 N -1.51 -0.59 0.27 4.32 1.04 -1.26 -4.92 113.70 111.06 1ne9 s SER 114 Ca 0.60 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.74 1ne9 s SER 114 Cb -0.24 0.60 0.37 0.00 0.10 0.00 0.00 66.02 66.84 1ne9 s SER 114 CO 0.30 -0.48 1.80 0.44 0.98 0.00 0.00 173.24 176.28 1ne9 h ASP 115 N 3.16 0.79 -0.16 7.02 3.32 -1.98 -0.65 116.42 127.93 1ne9 h ASP 115 Ca -0.25 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1ne9 h ASP 115 Cb 1.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1ne9 h ASP 115 CO 0.32 0.79 0.06 -0.08 -1.72 0.00 0.00 179.24 178.62 1ne9 h GLU 116 N 0.81 0.24 -0.50 3.56 4.81 -1.98 0.90 114.58 122.41 1ne9 h GLU 116 Ca 0.17 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1ne9 h GLU 116 Cb 0.33 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1ne9 h GLU 116 CO 0.00 0.32 0.12 0.35 -0.73 0.00 0.00 179.01 179.07 1ne9 h PHE 117 N 0.10 0.84 -0.49 0.92 -0.00 -1.92 0.21 116.94 116.61 1ne9 h PHE 117 Ca 0.05 -0.10 0.03 0.00 -0.00 0.00 0.00 57.97 57.95 1ne9 h PHE 117 Cb 0.17 -0.24 -0.04 0.00 -0.00 0.00 0.00 35.95 35.85 1ne9 h PHE 117 CO -0.01 0.75 0.27 -0.97 -0.00 0.00 0.00 178.31 178.34 1ne9 h ASN 118 N 0.68 0.42 -0.49 0.41 -1.24 -0.95 -0.61 115.58 113.81 1ne9 h ASN 118 Ca 0.16 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.12 1ne9 h ASN 118 Cb 0.34 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 1ne9 h ASN 118 CO 0.00 0.29 0.06 0.74 -1.29 0.00 0.00 177.43 177.24 1ne9 h THR 119 N 0.54 1.25 -0.51 -3.57 2.02 -0.53 -1.75 112.91 110.36 1ne9 h THR 119 Ca 0.20 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.45 1ne9 h THR 119 Cb 0.07 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1ne9 h THR 119 CO -0.12 0.34 0.31 0.74 0.37 0.00 0.00 175.52 177.16 1ne9 h THR 120 N 0.68 1.07 -0.44 3.16 2.02 -0.53 0.21 112.91 119.08 1ne9 h THR 120 Ca 0.15 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1ne9 h THR 120 Cb 0.42 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1ne9 h THR 120 CO 0.01 0.11 0.29 -0.07 0.37 0.00 0.00 175.52 176.23 1ne9 h LEU 121 N 0.62 0.49 -0.81 2.58 3.38 -0.90 -1.48 115.31 119.20 1ne9 h LEU 121 Ca 0.20 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1ne9 h LEU 121 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ne9 h LEU 121 CO -0.08 0.36 0.20 1.56 0.09 0.00 0.00 178.44 180.56 1ne9 h GLN 122 N 0.59 1.09 0.00 1.13 4.20 -0.77 -1.80 115.11 119.55 1ne9 h GLN 122 Ca 0.17 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ne9 h GLN 122 Cb -0.05 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 1ne9 h GLN 122 CO -0.04 0.94 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.61 1ne9 h ASP 123 N 1.05 0.00 -0.14 1.46 3.32 0.05 0.16 116.42 122.32 1ne9 h ASP 123 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ne9 h ASP 123 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ne9 h ASP 123 CO -0.00 0.01 0.00 1.41 -1.72 0.00 0.00 179.24 178.94 1ne9 n HIS 124 N -4.52 0.18 -0.19 4.55 8.25 -0.62 -4.91 115.22 117.96 1ne9 n HIS 124 Ca -0.03 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1ne9 n HIS 124 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1ne9 n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ne9 n GLY 125 N 0.96 0.69 3.84 -1.41 0.00 0.54 -5.07 105.19 104.74 1ne9 n GLY 125 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1ne9 n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ne9 s TYR 126 N -2.46 3.41 -0.23 1.61 1.51 -0.77 -4.76 117.35 115.66 1ne9 s TYR 126 Ca 0.00 1.50 -0.09 0.00 -1.01 0.00 0.00 57.07 57.47 1ne9 s TYR 126 Cb 0.00 -2.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 1ne9 s TYR 126 CO 0.00 -0.27 0.10 0.08 -1.11 0.00 0.00 175.55 174.35 1ne9 s VAL 127 N -2.47 4.82 0.01 0.71 1.01 -0.22 -3.99 120.40 120.28 1ne9 s VAL 127 Ca 0.60 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1ne9 s VAL 127 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1ne9 s VAL 127 CO 0.25 0.36 0.06 0.42 0.00 0.00 0.00 175.10 176.19 1ne9 s THR 128 N 1.17 4.55 -0.27 3.92 -4.23 -1.26 0.10 115.64 119.62 1ne9 s THR 128 Ca 0.05 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1ne9 s THR 128 Cb -0.14 -3.09 0.08 0.00 1.34 0.00 0.00 72.50 70.69 1ne9 s THR 128 CO 0.04 0.31 -0.01 -0.13 -0.54 0.00 0.00 174.62 174.30 1ne9 s ARG 129 N -1.81 1.46 0.00 3.99 0.52 0.82 -4.93 118.95 119.00 1ne9 s ARG 129 Ca 0.23 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1ne9 s ARG 129 Cb -0.12 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1ne9 s ARG 129 CO 0.14 -0.74 0.00 0.27 0.02 0.00 0.00 175.30 175.00 1ne9 n ASN 130 N 4.60 0.00 0.11 0.23 6.94 -1.26 -1.54 115.26 124.34 1ne9 n ASN 130 Ca -0.07 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.60 1ne9 n ASN 130 Cb 0.43 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.31 1ne9 n ASN 130 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ne9 n ARG 131 N 0.00 0.15 0.00 -3.83 1.74 -1.26 -2.27 116.66 111.19 1ne9 n ARG 131 Ca 0.00 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.65 1ne9 n ARG 131 Cb 0.00 -1.82 0.44 0.00 -1.02 0.00 0.00 32.46 30.07 1ne9 n ARG 131 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ne9 n ASN 132 N -2.10 0.79 -4.62 0.55 6.94 -1.26 -4.92 115.26 110.64 1ne9 n ASN 132 Ca 0.02 -0.71 -0.25 0.00 -0.02 0.00 0.00 54.58 53.61 1ne9 n ASN 132 Cb 0.18 0.07 -0.09 0.00 -2.36 0.00 0.00 39.78 37.57 1ne9 n ASN 132 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1ne9 s VAL 133 N -2.54 2.47 0.61 3.53 -7.23 -0.96 -4.85 120.40 111.43 1ne9 s VAL 133 Ca 0.24 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 58.21 1ne9 s VAL 133 Cb 0.19 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1ne9 s VAL 133 CO 0.52 -0.17 1.30 0.00 -0.31 0.00 0.00 175.10 176.44 1ne9 s ALA 134 N -2.56 2.55 0.21 1.32 0.00 -0.58 -4.92 121.76 117.78 1ne9 s ALA 134 Ca 0.35 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.57 1ne9 s ALA 134 Cb 0.01 -3.54 0.16 0.00 0.00 0.00 0.00 23.12 19.75 1ne9 s ALA 134 CO 0.19 -1.46 1.50 -0.44 0.00 0.00 0.00 175.76 175.54 1ne9 h ASP 135 N 0.90 0.25 -5.22 0.00 3.32 -1.93 -3.37 116.42 110.37 1ne9 h ASP 135 Ca -0.51 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.27 1ne9 h ASP 135 Cb 1.32 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 1ne9 h ASP 135 CO 0.55 0.87 -0.55 0.00 -1.72 0.00 0.00 179.24 178.39 1ne9 s ALA 136 N -3.55 0.23 0.00 3.45 0.00 -1.26 -4.78 121.76 115.85 1ne9 s ALA 136 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ne9 s ALA 136 Cb 0.11 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1ne9 s ALA 136 CO 0.81 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1ne9 n GLY 137 N 0.02 -0.62 0.00 0.00 0.00 -1.26 -4.40 105.19 98.94 1ne9 n GLY 137 Ca -0.14 -2.24 0.11 0.00 0.00 0.00 0.00 46.02 43.75 1ne9 n GLY 137 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ne9 n MET 138 N -0.26 0.37 -0.00 1.61 -0.00 -1.26 -2.37 117.12 115.20 1ne9 n MET 138 Ca 0.00 0.07 0.09 0.00 -0.00 0.00 0.00 57.70 57.86 1ne9 n MET 138 Cb 0.00 -1.50 -0.12 0.00 -0.00 0.00 0.00 33.22 31.60 1ne9 n MET 138 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1ne9 n HIS 139 N -1.25 0.00 -1.16 3.17 -0.00 -1.26 -4.99 115.22 109.73 1ne9 n HIS 139 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.53 1ne9 n HIS 139 Cb 0.16 -0.19 0.13 0.00 -0.00 0.00 0.00 29.99 30.09 1ne9 n HIS 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ne9 s ALA 140 N -2.96 1.74 0.52 -1.41 0.00 -1.00 -4.60 121.76 114.05 1ne9 s ALA 140 Ca 0.01 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 1ne9 s ALA 140 Cb 0.13 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 1ne9 s ALA 140 CO 0.75 -2.22 1.27 0.95 0.00 0.00 0.00 175.76 176.51 1ne9 s THR 141 N -2.89 2.53 0.16 0.00 -4.23 -1.26 -4.91 115.64 105.03 1ne9 s THR 141 Ca 0.63 0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 61.37 1ne9 s THR 141 Cb -0.18 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.49 1ne9 s THR 141 CO 0.57 -0.01 1.77 0.40 -0.54 0.00 0.00 174.62 176.81 1ne9 h ILE 142 N 1.56 0.96 -2.82 2.99 2.04 -1.96 -3.41 117.51 116.87 1ne9 h ILE 142 Ca -0.50 -0.13 -0.66 0.00 1.00 0.00 0.00 64.86 64.57 1ne9 h ILE 142 Cb 1.28 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1ne9 h ILE 142 CO 0.58 0.07 -0.51 -1.10 0.00 0.00 0.00 178.15 177.19 1ne9 s GLN 143 N -6.15 3.35 0.27 2.37 -1.52 -1.26 -5.07 119.66 111.64 1ne9 s GLN 143 Ca -0.13 -0.27 -0.29 0.00 -1.95 0.00 0.00 55.36 52.71 1ne9 s GLN 143 Cb 0.12 -3.08 -0.10 0.00 -0.22 0.00 0.00 33.01 29.74 1ne9 s GLN 143 CO 0.72 0.72 1.30 -1.25 -0.25 0.00 0.00 175.29 176.52 1ne9 s PRO 144 N -1.45 4.39 0.26 2.91 0.04 -1.26 -4.91 135.00 134.97 1ne9 s PRO 144 Ca 0.20 2.12 0.17 0.00 0.04 0.00 0.00 61.00 63.53 1ne9 s PRO 144 Cb -0.12 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.34 1ne9 s PRO 144 CO 0.11 -0.19 1.32 0.00 0.04 0.00 0.00 177.00 178.28 1ne9 h ARG 145 N 4.35 0.00 -5.36 4.56 3.08 -1.91 -3.43 114.38 115.67 1ne9 h ARG 145 Ca -0.47 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.97 1ne9 h ARG 145 Cb 1.22 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 1ne9 h ARG 145 CO 0.71 0.36 -0.04 -0.51 -1.07 0.00 0.00 179.97 179.42 1ne9 s LEU 146 N -6.22 4.07 -0.00 3.04 1.43 -1.26 -0.98 118.68 118.75 1ne9 s LEU 146 Ca 0.03 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1ne9 s LEU 146 Cb 0.08 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 1ne9 s LEU 146 CO 0.75 -0.26 -0.09 0.20 0.23 0.00 0.00 176.35 177.19 1ne9 s ASN 147 N 1.48 1.00 -0.62 2.29 -0.87 0.06 -1.94 114.94 116.35 1ne9 s ASN 147 Ca 0.21 -0.17 -0.21 0.00 -1.57 0.00 0.00 52.86 51.12 1ne9 s ASN 147 Cb -0.16 -0.11 0.08 0.00 -0.02 0.00 0.00 41.25 41.05 1ne9 s ASN 147 CO 0.09 0.10 0.84 -0.04 -2.57 0.00 0.00 177.10 175.52 1ne9 s MET 148 N -0.25 3.10 -0.17 -0.60 -1.94 0.22 -0.18 119.30 119.49 1ne9 s MET 148 Ca 0.03 -0.99 -0.02 0.00 -1.71 0.00 0.00 55.69 53.00 1ne9 s MET 148 Cb -0.03 -4.22 -0.01 0.00 2.01 0.00 0.00 34.83 32.57 1ne9 s MET 148 CO -0.00 -1.65 -0.09 0.08 -0.01 0.00 0.00 175.02 173.35 1ne9 s VAL 149 N 3.43 3.23 -0.33 -6.03 1.01 -1.26 -0.70 120.40 119.75 1ne9 s VAL 149 Ca 0.18 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1ne9 s VAL 149 Cb -0.20 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1ne9 s VAL 149 CO 0.09 0.49 0.51 -0.22 0.00 0.00 0.00 175.10 175.96 1ne9 s LEU 150 N 0.78 4.28 -0.73 3.92 2.96 0.56 -4.91 118.68 125.54 1ne9 s LEU 150 Ca -0.03 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.75 1ne9 s LEU 150 Cb -0.15 -2.59 0.09 0.00 0.50 0.00 0.00 46.19 44.05 1ne9 s LEU 150 CO 0.01 -0.43 0.98 -0.62 -1.32 0.00 0.00 176.35 174.97 1ne9 s ASP 151 N 1.72 6.31 0.36 3.68 -1.08 -1.26 -1.21 116.67 125.19 1ne9 s ASP 151 Ca 0.19 -1.37 0.27 0.00 -0.52 0.00 0.00 52.55 51.12 1ne9 s ASP 151 Cb -0.15 -2.40 1.17 0.00 -1.46 0.00 0.00 42.92 40.08 1ne9 s ASP 151 CO 0.12 -1.28 1.81 -0.07 0.52 0.00 0.00 175.17 176.28 1ne9 h LEU 152 N 10.87 0.00 -0.16 -1.34 3.38 -1.13 -2.62 115.31 124.32 1ne9 h LEU 152 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ne9 h LEU 152 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ne9 h LEU 152 CO 1.15 0.00 0.00 0.35 0.09 0.00 0.00 178.44 180.03 1ne9 n THR 153 N -2.52 0.97 0.98 0.22 -2.24 -1.21 -1.42 114.28 109.06 1ne9 n THR 153 Ca 0.01 0.25 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 1ne9 n THR 153 Cb 0.23 -1.04 0.59 0.00 -2.10 0.00 0.00 70.33 68.01 1ne9 n THR 153 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ne9 n LYS 154 N -1.66 0.04 -3.29 -0.78 5.02 -0.99 -3.98 118.16 112.52 1ne9 n LYS 154 Ca 0.03 0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 1ne9 n LYS 154 Cb 0.18 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1ne9 n LYS 154 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ne9 n PHE 155 N -1.48 1.75 -0.08 2.13 3.01 -0.51 -4.97 117.46 117.32 1ne9 n PHE 155 Ca 0.07 -3.87 0.19 0.00 1.01 0.00 0.00 57.45 54.85 1ne9 n PHE 155 Cb 0.31 -0.46 0.61 0.00 -0.01 0.00 0.00 39.48 39.93 1ne9 n PHE 155 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ne9 h PRO 156 N 4.02 0.17 -0.21 -1.08 0.13 -1.72 -1.99 132.00 131.31 1ne9 h PRO 156 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ne9 h PRO 156 Cb 0.76 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ne9 h PRO 156 CO 0.66 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 1ne9 n ASP 157 N -4.41 2.71 -4.70 1.44 9.92 -1.26 -4.95 116.55 115.30 1ne9 n ASP 157 Ca 0.12 -1.88 -0.43 0.00 -0.53 0.00 0.00 54.79 52.07 1ne9 n ASP 157 Cb 0.60 -0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 1ne9 n ASP 157 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ne9 n ALA 158 N 1.04 2.32 -0.08 2.24 0.00 -0.75 -4.88 120.51 120.40 1ne9 n ALA 158 Ca 0.17 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.92 1ne9 n ALA 158 Cb 0.51 -2.48 -0.10 0.00 0.00 0.00 0.00 19.45 17.39 1ne9 n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ne9 n LYS 159 N 4.02 1.03 -4.25 0.00 4.76 -1.26 -5.03 118.16 117.43 1ne9 n LYS 159 Ca 0.17 0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.52 1ne9 n LYS 159 Cb 0.33 -1.36 -0.10 0.00 -1.84 0.00 0.00 35.03 32.06 1ne9 n LYS 159 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ne9 s THR 160 N -2.35 0.82 0.29 -0.18 -4.23 -1.26 -4.87 115.64 103.86 1ne9 s THR 160 Ca -0.16 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.39 1ne9 s THR 160 Cb 0.05 -2.07 0.28 0.00 1.34 0.00 0.00 72.50 72.10 1ne9 s THR 160 CO 0.49 -0.53 1.72 0.74 -0.54 0.00 0.00 174.62 176.49 1ne9 h THR 161 N 2.70 0.55 -0.22 3.99 2.02 -1.90 -0.71 112.91 119.33 1ne9 h THR 161 Ca -0.37 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 66.71 1ne9 h THR 161 Cb 1.20 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1ne9 h THR 161 CO 0.63 0.09 0.16 -0.07 0.37 0.00 0.00 175.52 176.70 1ne9 h LEU 162 N 0.48 0.00 -0.02 2.58 3.38 -1.96 -2.20 115.31 117.58 1ne9 h LEU 162 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1ne9 h LEU 162 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ne9 h LEU 162 CO -0.48 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.52 1ne9 n ASP 163 N -4.46 0.01 -0.27 -0.43 8.00 -0.27 -2.03 116.55 117.10 1ne9 n ASP 163 Ca 0.02 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.14 1ne9 n ASP 163 Cb 0.31 -0.51 0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1ne9 n ASP 163 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ne9 n LEU 164 N -1.51 1.40 -4.44 0.64 4.77 -0.83 -4.93 117.00 112.11 1ne9 n LEU 164 Ca 0.02 -0.51 -0.23 0.00 -0.03 0.00 0.00 56.01 55.25 1ne9 n LEU 164 Cb 0.09 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 1ne9 n LEU 164 CO 0.07 0.28 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.62 1ne9 s TYR 165 N -2.67 2.18 0.76 -1.77 1.51 -0.86 -5.09 117.35 111.41 1ne9 s TYR 165 Ca 0.16 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 1ne9 s TYR 165 Cb 0.18 -0.97 0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1ne9 s TYR 165 CO 0.65 0.62 1.08 -1.25 -1.11 0.00 0.00 175.55 175.54 1ne9 s PRO 166 N -3.39 2.39 0.28 -1.71 0.04 -1.26 -4.72 135.00 126.62 1ne9 s PRO 166 Ca 0.27 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1ne9 s PRO 166 Cb -0.05 -1.93 0.62 0.00 0.04 0.00 0.00 34.50 33.18 1ne9 s PRO 166 CO 0.13 -1.48 1.78 0.77 0.04 0.00 0.00 177.00 178.24 1ne9 h SER 167 N -0.99 0.68 -0.97 6.66 0.02 -1.99 -0.86 113.55 116.10 1ne9 h SER 167 Ca -0.45 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 60.67 1ne9 h SER 167 Cb 1.24 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 1ne9 h SER 167 CO 0.56 0.28 0.62 0.50 -1.14 0.00 0.00 176.83 177.65 1ne9 h LYS 168 N 0.73 1.02 0.13 3.45 3.64 -2.01 -1.73 116.57 121.80 1ne9 h LYS 168 Ca 0.52 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.56 1ne9 h LYS 168 Cb 0.73 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ne9 h LYS 168 CO -0.36 0.68 -1.23 1.15 -2.27 0.00 0.00 179.45 177.41 1ne9 h THR 169 N 1.05 1.44 -0.88 1.00 2.02 -1.56 -3.10 112.91 112.87 1ne9 h THR 169 Ca 0.44 -2.88 0.09 0.00 0.77 0.00 0.00 66.41 64.84 1ne9 h THR 169 Cb 0.31 2.87 -0.07 0.00 -1.74 0.00 0.00 68.15 69.51 1ne9 h THR 169 CO -0.19 0.85 0.53 0.11 0.37 0.00 0.00 175.52 177.18 1ne9 h LYS 170 N 0.12 0.87 -0.50 6.66 1.57 -0.56 -0.83 116.57 123.89 1ne9 h LYS 170 Ca -0.15 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1ne9 h LYS 170 Cb 1.94 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 1ne9 h LYS 170 CO 0.21 0.58 0.33 0.77 -0.57 0.00 0.00 179.45 180.77 1ne9 h SER 171 N 0.90 0.57 -0.80 0.86 0.02 -1.34 -0.55 113.55 113.20 1ne9 h SER 171 Ca 0.42 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1ne9 h SER 171 Cb 0.34 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1ne9 h SER 171 CO -0.23 0.41 0.34 0.11 -1.14 0.00 0.00 176.83 176.32 1ne9 h LYS 172 N 0.68 1.18 -0.18 3.45 1.57 -1.18 -1.90 116.57 120.19 1ne9 h LYS 172 Ca 0.18 -0.20 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1ne9 h LYS 172 Cb -0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1ne9 h LYS 172 CO -0.04 0.94 -0.60 0.82 -0.57 0.00 0.00 179.45 180.00 1ne9 h ILE 173 N 1.16 1.32 -0.06 1.86 2.04 -0.86 -3.18 117.51 119.79 1ne9 h ILE 173 Ca 0.27 -1.86 -0.12 0.00 1.00 0.00 0.00 64.86 64.15 1ne9 h ILE 173 Cb 0.18 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1ne9 h ILE 173 CO -0.03 0.58 -0.49 0.11 0.00 0.00 0.00 178.15 178.32 1ne9 h LYS 174 N 0.45 0.16 -0.44 2.37 1.57 -0.92 -3.35 116.57 116.40 1ne9 h LYS 174 Ca -0.00 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1ne9 h LYS 174 Cb 1.17 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 1ne9 h LYS 174 CO 0.12 0.62 -0.51 -0.09 -0.57 0.00 0.00 179.45 179.02 1ne9 h ARG 175 N 0.12 -0.30 -0.83 3.15 2.43 -1.32 0.04 114.38 117.67 1ne9 h ARG 175 Ca 0.00 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1ne9 h ARG 175 Cb 0.92 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.46 1ne9 h ARG 175 CO 0.07 -0.20 0.47 -1.00 -1.51 0.00 0.00 179.97 177.81 1ne9 h PRO 176 N -0.31 0.76 -0.65 0.20 0.13 -1.73 -1.15 132.00 129.25 1ne9 h PRO 176 Ca 0.08 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 1ne9 h PRO 176 Cb 0.51 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1ne9 h PRO 176 CO -0.58 0.50 0.16 0.74 -0.23 0.00 0.00 178.00 178.60 1ne9 h PHE 177 N 0.78 1.10 0.00 1.56 -1.00 -1.54 -0.39 116.94 117.45 1ne9 h PHE 177 Ca 0.41 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.99 1ne9 h PHE 177 Cb 0.40 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1ne9 h PHE 177 CO -0.06 0.91 -0.32 0.07 -1.61 0.00 0.00 178.31 177.29 1ne9 h ARG 178 N 0.97 0.00 -0.19 1.51 0.11 -0.41 -2.10 114.38 114.26 1ne9 h ARG 178 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 1ne9 h ARG 178 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1ne9 h ARG 178 CO 0.00 0.32 0.00 -0.25 0.10 0.00 0.00 179.97 180.14 1ne9 n ASP 179 N -3.88 0.89 0.00 0.08 8.00 -0.49 -4.88 116.55 116.27 1ne9 n ASP 179 Ca -0.01 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1ne9 n ASP 179 Cb 0.39 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1ne9 n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ne9 n GLY 180 N 0.72 0.56 3.72 0.44 0.00 -0.79 -5.01 105.19 104.83 1ne9 n GLY 180 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ne9 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ne9 s VAL 181 N -2.29 3.03 -0.01 1.61 1.01 -0.21 -4.35 120.40 119.19 1ne9 s VAL 181 Ca 0.00 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.81 1ne9 s VAL 181 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1ne9 s VAL 181 CO 0.00 0.08 -0.18 -1.61 0.00 0.00 0.00 175.10 173.39 1ne9 s GLU 182 N 0.66 1.47 -0.09 2.72 2.02 0.13 -4.36 118.70 121.26 1ne9 s GLU 182 Ca 0.64 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.98 1ne9 s GLU 182 Cb -0.39 -1.44 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 1ne9 s GLU 182 CO 0.34 0.39 -0.18 0.08 0.02 0.00 0.00 175.26 175.91 1ne9 s VAL 183 N -0.46 2.67 0.16 2.63 1.01 -1.26 -0.67 120.40 124.47 1ne9 s VAL 183 Ca 0.07 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1ne9 s VAL 183 Cb -0.07 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1ne9 s VAL 183 CO -0.01 0.56 -0.21 -1.38 0.00 0.00 0.00 175.10 174.06 1ne9 s HIS 184 N -0.06 1.99 0.05 5.22 -3.43 -0.29 -4.94 115.29 113.83 1ne9 s HIS 184 Ca -0.04 -0.42 -0.02 0.00 -0.80 0.00 0.00 55.06 53.78 1ne9 s HIS 184 Cb -0.14 -1.02 -0.04 0.00 -1.43 0.00 0.00 32.58 29.96 1ne9 s HIS 184 CO 0.04 0.36 -0.01 -1.54 -2.00 0.00 0.00 174.74 171.59 1ne9 s SER 185 N -2.48 0.45 0.00 7.38 1.04 -1.26 -0.14 113.70 118.69 1ne9 s SER 185 Ca 0.15 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1ne9 s SER 185 Cb -0.07 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1ne9 s SER 185 CO 0.07 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1ne9 n GLY 186 N 0.10 -1.52 2.72 7.32 0.00 -0.66 -4.96 105.19 108.19 1ne9 n GLY 186 Ca -0.14 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 1ne9 n GLY 186 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ne9 n ASN 187 N 1.69 1.74 -4.98 1.61 4.05 -1.26 0.03 115.26 118.14 1ne9 n ASN 187 Ca 0.00 -2.43 -0.21 0.00 0.45 0.00 0.00 54.58 52.39 1ne9 n ASN 187 Cb 0.00 -0.50 0.02 0.00 1.23 0.00 0.00 39.78 40.54 1ne9 n ASN 187 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1ne9 s SER 188 N -3.50 5.08 0.44 1.20 1.04 -1.26 -4.94 113.70 111.76 1ne9 s SER 188 Ca 0.29 -0.86 0.11 0.00 0.48 0.00 0.00 55.95 55.97 1ne9 s SER 188 Cb 0.39 0.05 0.97 0.00 0.10 0.00 0.00 66.02 67.53 1ne9 s SER 188 CO -0.01 -1.10 2.05 0.00 0.98 0.00 0.00 173.24 175.16 1ne9 h ALA 189 N 0.50 1.74 0.21 5.32 0.00 -1.98 -2.11 119.26 122.95 1ne9 h ALA 189 Ca -0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ne9 h ALA 189 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ne9 h ALA 189 CO 0.47 0.21 -0.10 1.79 0.00 0.00 0.00 179.25 181.62 1ne9 h THR 190 N 0.27 0.82 -0.39 0.00 1.35 -1.99 0.34 112.91 113.31 1ne9 h THR 190 Ca 0.07 -0.15 -0.04 0.00 -0.55 0.00 0.00 66.41 65.74 1ne9 h THR 190 Cb 0.09 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 1ne9 h THR 190 CO -0.01 0.04 0.09 -0.33 -0.25 0.00 0.00 175.52 175.06 1ne9 h GLU 191 N -0.36 0.57 -0.56 4.72 3.07 -1.87 -1.80 114.58 118.35 1ne9 h GLU 191 Ca -0.03 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 1ne9 h GLU 191 Cb 0.28 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1ne9 h GLU 191 CO 0.05 0.53 0.10 1.25 -1.40 0.00 0.00 179.01 179.53 1ne9 h LEU 192 N 0.56 0.89 -0.89 1.33 5.85 -1.00 0.12 115.31 122.17 1ne9 h LEU 192 Ca 0.13 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1ne9 h LEU 192 Cb 0.22 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1ne9 h LEU 192 CO -0.00 0.92 0.34 0.44 -0.34 0.00 0.00 178.44 179.80 1ne9 h ASP 193 N 0.82 1.06 -0.35 1.25 3.32 -0.41 0.25 116.42 122.35 1ne9 h ASP 193 Ca 0.17 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1ne9 h ASP 193 Cb 0.41 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ne9 h ASP 193 CO 0.01 0.91 0.03 -0.33 -1.72 0.00 0.00 179.24 178.14 1ne9 h GLU 194 N 1.13 0.61 0.26 3.56 5.08 -0.98 -1.47 114.58 122.77 1ne9 h GLU 194 Ca 0.27 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1ne9 h GLU 194 Cb 0.17 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ne9 h GLU 194 CO -0.03 0.70 -0.16 0.35 -1.00 0.00 0.00 179.01 178.88 1ne9 h PHE 195 N 0.43 -0.40 -0.87 4.33 3.57 -0.29 -2.64 116.94 121.07 1ne9 h PHE 195 Ca 0.10 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.69 1ne9 h PHE 195 Cb 0.41 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1ne9 h PHE 195 CO 0.03 -0.24 0.56 0.35 -2.23 0.00 0.00 178.31 176.78 1ne9 h PHE 196 N -0.40 0.93 -0.29 0.41 3.57 -0.40 0.33 116.94 121.09 1ne9 h PHE 196 Ca -0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ne9 h PHE 196 Cb 0.33 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1ne9 h PHE 196 CO -0.09 0.44 0.11 -0.22 -2.23 0.00 0.00 178.31 176.33 1ne9 h LYS 197 N 0.87 0.44 -0.16 1.11 3.64 -1.06 0.57 116.57 121.98 1ne9 h LYS 197 Ca 0.39 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1ne9 h LYS 197 Cb 0.37 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1ne9 h LYS 197 CO -0.16 0.46 -0.39 1.79 -2.27 0.00 0.00 179.45 178.88 1ne9 h THR 198 N 0.32 1.30 -0.13 1.00 1.35 -0.94 -1.52 112.91 114.29 1ne9 h THR 198 Ca 0.10 -1.51 -0.02 0.00 -0.55 0.00 0.00 66.41 64.42 1ne9 h THR 198 Cb 0.19 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1ne9 h THR 198 CO -0.01 0.46 -0.02 0.22 -0.25 0.00 0.00 175.52 175.93 1ne9 h TYR 199 N 0.30 0.27 -0.10 4.73 3.20 -0.09 -0.21 116.97 125.06 1ne9 h TYR 199 Ca 0.03 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 1ne9 h TYR 199 Cb 0.83 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1ne9 h TYR 199 CO 0.02 0.51 -0.58 1.79 -1.64 0.00 0.00 178.16 178.25 1ne9 h THR 200 N -0.05 1.36 -0.24 1.81 1.35 -0.88 -0.98 112.91 115.28 1ne9 h THR 200 Ca 0.04 -1.91 -0.02 0.00 -0.55 0.00 0.00 66.41 63.97 1ne9 h THR 200 Cb 0.41 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 1ne9 h THR 200 CO 0.01 0.57 0.07 0.74 -0.25 0.00 0.00 175.52 176.66 1ne9 h THR 201 N 0.25 1.20 -0.51 6.82 2.02 -1.22 0.98 112.91 122.45 1ne9 h THR 201 Ca -0.00 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1ne9 h THR 201 Cb 1.09 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 1ne9 h THR 201 CO 0.10 0.21 0.30 -0.03 0.37 0.00 0.00 175.52 176.46 1ne9 h MET 202 N 0.22 0.57 -0.44 6.66 -1.53 -0.91 0.47 114.93 119.96 1ne9 h MET 202 Ca 0.08 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1ne9 h MET 202 Cb 0.26 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.16 1ne9 h MET 202 CO -0.00 0.38 0.26 0.00 0.14 0.00 0.00 176.91 177.68 1ne9 h ALA 203 N 1.24 0.56 -0.38 0.39 0.00 -0.87 -1.00 119.26 119.20 1ne9 h ALA 203 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ne9 h ALA 203 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ne9 h ALA 203 CO -0.11 0.06 -0.09 1.49 0.00 0.00 0.00 179.25 180.61 1ne9 h GLU 204 N 0.58 0.65 -0.45 0.00 4.81 -0.39 0.26 114.58 120.03 1ne9 h GLU 204 Ca 0.16 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1ne9 h GLU 204 Cb 0.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1ne9 h GLU 204 CO -0.03 0.73 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.73 1ne9 h ARG 205 N 0.60 0.86 -0.55 1.92 2.43 -0.43 -2.79 114.38 116.41 1ne9 h ARG 205 Ca 0.11 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1ne9 h ARG 205 Cb 0.51 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1ne9 h ARG 205 CO 0.03 0.96 0.00 0.72 -1.51 0.00 0.00 179.97 180.17 1ne9 n HIS 206 N -4.13 0.85 -2.68 2.20 8.25 -0.42 -4.92 115.22 114.36 1ne9 n HIS 206 Ca 0.01 -0.37 -0.16 0.00 -0.26 0.00 0.00 57.72 56.93 1ne9 n HIS 206 Cb 0.41 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.42 1ne9 n HIS 206 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ne9 n GLY 207 N 1.07 -0.50 3.69 -1.41 0.00 -0.61 -4.96 105.19 102.46 1ne9 n GLY 207 Ca 0.17 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1ne9 n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ne9 s ILE 208 N -2.78 2.83 0.66 -0.61 -4.36 -0.02 -5.02 121.20 111.91 1ne9 s ILE 208 Ca 0.11 -1.82 -0.10 0.00 -0.26 0.00 0.00 60.65 58.58 1ne9 s ILE 208 Cb -0.06 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.76 1ne9 s ILE 208 CO 0.14 -0.19 1.03 0.42 0.24 0.00 0.00 174.94 176.59 1ne9 s THR 209 N -2.47 3.69 0.05 8.37 -4.23 -1.26 -4.34 115.64 115.46 1ne9 s THR 209 Ca 0.36 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 1ne9 s THR 209 Cb -0.01 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 1ne9 s THR 209 CO 0.21 -0.65 -0.08 -1.38 -0.54 0.00 0.00 174.62 172.18 1ne9 s HIS 210 N -3.24 0.76 0.53 3.99 -3.43 -1.26 -4.93 115.29 107.71 1ne9 s HIS 210 Ca 0.56 -0.57 -0.19 0.00 -0.80 0.00 0.00 55.06 54.06 1ne9 s HIS 210 Cb -0.11 -0.45 -0.06 0.00 -1.43 0.00 0.00 32.58 30.53 1ne9 s HIS 210 CO 0.50 -0.08 1.09 1.03 -2.00 0.00 0.00 174.74 175.28 1ne9 s ARG 211 N -1.99 3.49 0.68 -0.38 0.52 -1.26 -5.00 118.95 115.01 1ne9 s ARG 211 Ca -0.05 1.48 -0.15 0.00 -0.52 0.00 0.00 55.73 56.49 1ne9 s ARG 211 Cb -0.07 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.37 1ne9 s ARG 211 CO -0.00 -0.72 1.13 -1.25 0.02 0.00 0.00 175.30 174.48 1ne9 s PRO 212 N -3.36 2.60 0.53 3.54 0.04 -1.26 -4.91 135.00 132.17 1ne9 s PRO 212 Ca 0.70 1.48 0.17 0.00 0.04 0.00 0.00 61.00 63.39 1ne9 s PRO 212 Cb -0.20 -1.92 1.32 0.00 0.04 0.00 0.00 34.50 33.73 1ne9 s PRO 212 CO 0.26 -1.42 2.15 0.97 0.04 0.00 0.00 177.00 179.00 1ne9 h ILE 213 N -0.10 0.96 -0.20 0.56 2.10 -2.01 -1.40 117.51 117.42 1ne9 h ILE 213 Ca -0.47 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.50 1ne9 h ILE 213 Cb 1.26 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.97 1ne9 h ILE 213 CO 0.53 0.00 0.14 -0.33 -1.08 0.00 0.00 178.15 177.40 1ne9 h GLU 214 N 0.00 0.15 -0.24 2.19 3.07 -1.98 -0.01 114.58 117.76 1ne9 h GLU 214 Ca 0.01 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1ne9 h GLU 214 Cb 0.03 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1ne9 h GLU 214 CO -0.00 0.10 0.13 -0.92 -1.40 0.00 0.00 179.01 176.91 1ne9 h TYR 215 N 0.15 0.24 0.00 4.33 3.20 -1.61 0.54 116.97 123.82 1ne9 h TYR 215 Ca 0.09 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.83 1ne9 h TYR 215 Cb 0.16 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1ne9 h TYR 215 CO -0.00 0.14 -0.65 0.74 -1.64 0.00 0.00 178.16 176.74 1ne9 h PHE 216 N 0.27 0.00 -0.38 -3.82 -1.00 -1.38 -2.22 116.94 108.40 1ne9 h PHE 216 Ca 0.09 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.76 1ne9 h PHE 216 Cb 0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1ne9 h PHE 216 CO -0.09 0.65 -0.23 1.96 -1.61 0.00 0.00 178.31 179.00 1ne9 h GLN 217 N 0.00 0.77 -0.25 1.51 4.20 -0.58 0.69 115.11 121.44 1ne9 h GLN 217 Ca -0.01 -0.31 -0.11 0.00 0.06 0.00 0.00 58.65 58.28 1ne9 h GLN 217 Cb 1.22 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1ne9 h GLN 217 CO 0.09 0.93 -0.30 0.00 -0.67 0.00 0.00 178.83 178.87 1ne9 h ARG 218 N 0.67 0.52 -0.40 1.46 3.08 -0.75 -0.65 114.38 118.31 1ne9 h ARG 218 Ca 0.09 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1ne9 h ARG 218 Cb 0.74 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1ne9 h ARG 218 CO 0.06 0.76 0.10 1.98 -1.07 0.00 0.00 179.97 181.80 1ne9 h MET 219 N 0.45 0.63 -0.35 0.04 4.05 -0.82 -0.24 114.93 118.69 1ne9 h MET 219 Ca 0.06 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 1ne9 h MET 219 Cb 0.74 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1ne9 h MET 219 CO 0.06 0.65 -0.03 1.96 0.23 0.00 0.00 176.91 179.78 1ne9 h GLN 220 N 0.50 0.55 -0.02 0.39 4.20 -0.59 -0.59 115.11 119.55 1ne9 h GLN 220 Ca 0.13 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1ne9 h GLN 220 Cb 0.30 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1ne9 h GLN 220 CO 0.00 0.60 -0.65 0.00 -0.67 0.00 0.00 178.83 178.11 1ne9 h ALA 221 N 1.45 0.87 0.00 3.87 0.00 -0.78 -3.27 119.26 121.41 1ne9 h ALA 221 Ca 0.11 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1ne9 h ALA 221 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ne9 h ALA 221 CO 0.02 0.79 -1.07 0.00 0.00 0.00 0.00 179.25 178.99 1ne9 h ALA 222 N 1.27 0.50 -4.10 0.00 0.00 -0.48 -3.46 119.26 112.99 1ne9 h ALA 222 Ca -0.01 -0.93 -0.65 0.00 0.00 0.00 0.00 54.91 53.32 1ne9 h ALA 222 Cb 1.16 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.63 1ne9 h ALA 222 CO 0.09 1.19 -0.87 -0.06 0.00 0.00 0.00 179.25 179.60 1ne9 s PHE 223 N -2.74 2.16 0.95 0.00 0.40 -0.28 -4.90 117.98 113.57 1ne9 s PHE 223 Ca 0.00 -0.59 -0.14 0.00 -0.60 0.00 0.00 56.93 55.61 1ne9 s PHE 223 Cb 0.09 -1.42 0.16 0.00 0.51 0.00 0.00 43.02 42.37 1ne9 s PHE 223 CO 0.81 -0.16 1.18 0.16 0.70 0.00 0.00 175.22 177.91 1ne9 s ASP 224 N -0.20 3.19 0.21 1.36 1.47 -1.26 -4.64 116.67 116.81 1ne9 s ASP 224 Ca -0.01 0.74 0.19 0.00 1.18 0.00 0.00 52.55 54.65 1ne9 s ASP 224 Cb -0.12 -1.13 0.88 0.00 -0.34 0.00 0.00 42.92 42.20 1ne9 s ASP 224 CO 0.02 -2.72 1.58 0.00 0.68 0.00 0.00 175.17 174.72 1ne9 n ALA 225 N -3.84 1.39 1.15 2.11 0.00 -1.26 -0.53 120.51 119.52 1ne9 n ALA 225 Ca 0.10 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1ne9 n ALA 225 Cb 0.60 -1.30 0.26 0.00 0.00 0.00 0.00 19.45 19.00 1ne9 n ALA 225 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ne9 n ASP 226 N -2.06 1.17 -0.05 0.00 8.00 -1.26 -4.34 116.55 118.01 1ne9 n ASP 226 Ca 0.01 -0.95 -0.11 0.00 0.71 0.00 0.00 54.79 54.45 1ne9 n ASP 226 Cb 0.13 0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1ne9 n ASP 226 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ne9 n THR 227 N -0.67 0.59 -4.54 -3.53 -1.04 -0.47 -4.70 114.28 99.92 1ne9 n THR 227 Ca 0.10 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.05 61.62 1ne9 n THR 227 Cb 0.37 -1.56 -0.13 0.00 -1.82 0.00 0.00 70.33 67.19 1ne9 n THR 227 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1ne9 s MET 228 N -2.20 3.49 -0.02 -2.82 -2.45 0.31 0.74 119.30 116.35 1ne9 s MET 228 Ca -0.15 -0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1ne9 s MET 228 Cb 0.06 -2.78 0.02 0.00 1.25 0.00 0.00 34.83 33.38 1ne9 s MET 228 CO 0.19 0.18 0.05 0.50 1.05 0.00 0.00 175.02 176.99 1ne9 s ARG 229 N 0.48 0.01 -0.21 4.11 3.52 -0.51 -4.23 118.95 122.12 1ne9 s ARG 229 Ca -0.07 0.16 -0.07 0.00 -0.13 0.00 0.00 55.73 55.62 1ne9 s ARG 229 Cb -0.15 -0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 1ne9 s ARG 229 CO 0.04 -0.10 0.07 0.42 -0.81 0.00 0.00 175.30 174.91 1ne9 s ILE 230 N 0.66 4.64 -0.19 4.11 1.01 0.10 -1.07 121.20 130.46 1ne9 s ILE 230 Ca -0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1ne9 s ILE 230 Cb -0.08 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1ne9 s ILE 230 CO -0.02 0.41 0.05 -0.36 0.00 0.00 0.00 174.94 175.02 1ne9 s PHE 231 N 0.83 3.19 -0.17 3.97 0.40 0.33 -1.66 117.98 124.86 1ne9 s PHE 231 Ca 0.04 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1ne9 s PHE 231 Cb -0.14 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.31 1ne9 s PHE 231 CO 0.02 0.03 -0.19 0.08 0.70 0.00 0.00 175.22 175.86 1ne9 s VAL 232 N 0.63 1.98 -0.21 -0.44 1.01 0.81 -1.36 120.40 122.82 1ne9 s VAL 232 Ca 0.03 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1ne9 s VAL 232 Cb -0.13 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1ne9 s VAL 232 CO 0.02 0.53 0.14 0.00 0.00 0.00 0.00 175.10 175.78 1ne9 s ALA 233 N 1.31 3.65 0.13 5.51 0.00 0.67 -1.14 121.76 131.89 1ne9 s ALA 233 Ca 0.05 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1ne9 s ALA 233 Cb -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1ne9 s ALA 233 CO -0.13 0.05 -0.04 -1.21 0.00 0.00 0.00 175.76 174.44 1ne9 s GLU 234 N 0.58 0.94 -0.08 0.00 2.02 0.16 -1.23 118.70 121.08 1ne9 s GLU 234 Ca 0.08 -1.41 -0.02 0.00 0.02 0.00 0.00 54.97 53.63 1ne9 s GLU 234 Cb -0.12 -0.22 0.03 0.00 0.10 0.00 0.00 34.13 33.93 1ne9 s GLU 234 CO 0.00 -0.06 0.04 0.50 0.02 0.00 0.00 175.26 175.75 1ne9 s ARG 235 N -3.87 0.27 -1.24 1.61 3.52 -0.38 0.23 118.95 119.08 1ne9 s ARG 235 Ca 0.17 0.16 -0.28 0.00 -0.13 0.00 0.00 55.73 55.64 1ne9 s ARG 235 Cb 0.06 -0.96 0.04 0.00 -1.56 0.00 0.00 34.95 32.52 1ne9 s ARG 235 CO -0.01 -0.38 0.53 0.39 -0.81 0.00 0.00 175.30 175.02 1ne9 n GLU 236 N 5.22 -0.35 -0.70 5.12 1.02 -1.26 -1.17 120.64 128.52 1ne9 n GLU 236 Ca -0.06 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ne9 n GLU 236 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1ne9 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ne9 n GLY 237 N -2.17 1.13 3.37 0.62 0.00 -1.26 -5.04 105.19 101.85 1ne9 n GLY 237 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1ne9 n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ne9 s LYS 238 N -0.18 3.43 0.11 1.61 1.02 -0.32 -5.09 119.74 120.32 1ne9 s LYS 238 Ca 0.00 -0.64 -0.31 0.00 0.02 0.00 0.00 55.97 55.04 1ne9 s LYS 238 Cb 0.00 -2.77 -0.08 0.00 -0.52 0.00 0.00 37.83 34.46 1ne9 s LYS 238 CO 0.00 0.12 1.38 -1.17 -0.92 0.00 0.00 175.35 174.75 1ne9 s LEU 239 N 0.63 4.37 0.02 3.17 2.96 -1.26 -1.25 118.68 127.33 1ne9 s LEU 239 Ca -0.05 2.30 -0.05 0.00 -0.22 0.00 0.00 54.13 56.11 1ne9 s LEU 239 Cb -0.15 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1ne9 s LEU 239 CO 0.03 -0.64 -0.09 0.18 -1.32 0.00 0.00 176.35 174.51 1ne9 n LEU 240 N 3.96 1.29 -3.71 -0.68 4.77 -0.37 -4.76 117.00 117.50 1ne9 n LEU 240 Ca 0.11 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 1ne9 n LEU 240 Cb 0.43 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1ne9 n LEU 240 CO 0.58 -0.60 0.07 -0.94 -1.33 0.00 0.00 177.39 175.17 1ne9 s SER 241 N -5.96 -0.12 0.22 -1.43 1.04 -1.11 -0.54 113.70 105.80 1ne9 s SER 241 Ca -0.07 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 1ne9 s SER 241 Cb 0.01 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ne9 s SER 241 CO 0.11 -0.79 0.18 0.42 0.98 0.00 0.00 173.24 174.14 1ne9 s THR 242 N -3.66 0.00 -0.09 2.02 -4.23 0.53 -0.24 115.64 109.98 1ne9 s THR 242 Ca 0.02 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.30 1ne9 s THR 242 Cb 0.02 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.46 1ne9 s THR 242 CO -0.11 0.00 0.69 -0.83 -0.54 0.00 0.00 174.62 173.83 1ne9 s GLY 243 N -3.17 -0.57 -0.14 3.99 0.00 -0.46 -1.95 107.32 105.02 1ne9 s GLY 243 Ca 0.37 1.45 -0.01 0.00 0.00 0.00 0.00 44.72 46.54 1ne9 s GLY 243 CO 0.13 1.10 -0.12 -0.42 0.00 0.00 0.00 173.10 173.79 1ne9 s ILE 244 N -0.92 3.06 -0.00 0.90 1.01 0.71 -0.51 121.20 125.45 1ne9 s ILE 244 Ca -0.09 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1ne9 s ILE 244 Cb -0.01 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1ne9 s ILE 244 CO 0.08 0.51 -0.20 0.00 0.00 0.00 0.00 174.94 175.34 1ne9 s ALA 245 N 0.51 1.68 -0.14 9.38 0.00 -0.23 -1.03 121.76 131.94 1ne9 s ALA 245 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1ne9 s ALA 245 Cb -0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1ne9 s ALA 245 CO 0.04 0.40 -0.17 -0.51 0.00 0.00 0.00 175.76 175.52 1ne9 s LEU 246 N -0.61 2.39 -0.26 0.00 2.01 0.16 -1.42 118.68 120.95 1ne9 s LEU 246 Ca 0.08 -0.49 -0.11 0.00 0.01 0.00 0.00 54.13 53.62 1ne9 s LEU 246 Cb -0.08 -1.53 -0.05 0.00 0.01 0.00 0.00 46.19 44.54 1ne9 s LEU 246 CO -0.00 0.11 0.20 -0.75 1.01 0.00 0.00 176.35 176.92 1ne9 s LYS 247 N 0.69 4.02 -0.28 1.70 2.20 0.23 0.29 119.74 128.59 1ne9 s LYS 247 Ca -0.08 -0.24 -0.24 0.00 -0.36 0.00 0.00 55.97 55.05 1ne9 s LYS 247 Cb -0.16 -3.60 0.09 0.00 -1.51 0.00 0.00 37.83 32.66 1ne9 s LYS 247 CO 0.02 -0.07 0.84 -0.47 -0.36 0.00 0.00 175.35 175.31 1ne9 s TYR 248 N 1.44 -0.69 0.00 4.03 5.04 -0.22 -4.62 117.35 122.33 1ne9 s TYR 248 Ca 0.09 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.35 1ne9 s TYR 248 Cb -0.15 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1ne9 s TYR 248 CO 0.08 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.37 1ne9 n GLY 249 N 2.70 3.12 0.79 8.97 0.00 -1.26 -2.13 105.19 117.38 1ne9 n GLY 249 Ca -0.14 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1ne9 n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ne9 n ARG 250 N 13.82 2.07 -3.97 1.61 1.74 -1.26 -4.92 116.66 125.75 1ne9 n ARG 250 Ca 0.00 -1.40 -0.10 0.00 -0.77 0.00 0.00 57.85 55.58 1ne9 n ARG 250 Cb 0.00 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 29.97 1ne9 n ARG 250 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1ne9 s LYS 251 N -1.56 1.13 -0.14 5.56 -2.85 -0.90 -0.41 119.74 120.55 1ne9 s LYS 251 Ca 0.26 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.05 1ne9 s LYS 251 Cb 0.15 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1ne9 s LYS 251 CO 0.16 -0.40 -0.15 0.42 0.10 0.00 0.00 175.35 175.47 1ne9 s ILE 252 N -3.97 2.79 -0.22 3.79 1.01 -0.12 -1.05 121.20 123.43 1ne9 s ILE 252 Ca 0.17 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 1ne9 s ILE 252 Cb 0.04 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 1ne9 s ILE 252 CO -0.00 0.52 -0.05 0.86 0.00 0.00 0.00 174.94 176.27 1ne9 s TRP 253 N 0.58 2.96 -0.61 3.97 -0.00 0.15 -0.32 118.94 125.66 1ne9 s TRP 253 Ca -0.09 -1.03 -0.28 0.00 -0.00 0.00 0.00 56.10 54.70 1ne9 s TRP 253 Cb -0.16 -2.10 0.02 0.00 -0.00 0.00 0.00 33.47 31.23 1ne9 s TRP 253 CO 0.03 -0.58 1.36 -0.47 -0.00 0.00 0.00 176.95 177.29 1ne9 s TYR 254 N 1.46 2.32 -0.23 5.86 5.04 0.15 -0.66 117.35 131.29 1ne9 s TYR 254 Ca 0.05 0.35 0.06 0.00 -2.44 0.00 0.00 57.07 55.08 1ne9 s TYR 254 Cb -0.14 -4.46 -0.18 0.00 0.35 0.00 0.00 41.96 37.53 1ne9 s TYR 254 CO -0.04 -1.93 -0.14 -0.12 -1.34 0.00 0.00 175.55 171.98 1ne9 n MET 255 N 8.82 0.69 -4.12 4.97 0.00 -0.19 -4.39 117.12 122.90 1ne9 n MET 255 Ca 0.10 0.10 -0.11 0.00 -0.00 0.00 0.00 57.70 57.79 1ne9 n MET 255 Cb 0.49 -1.48 -0.11 0.00 0.00 0.00 0.00 33.22 32.13 1ne9 n MET 255 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1ne9 s TYR 256 N -2.47 0.75 0.11 1.12 1.51 -1.12 -4.97 117.35 112.29 1ne9 s TYR 256 Ca -0.26 -0.77 -0.14 0.00 -1.01 0.00 0.00 57.07 54.88 1ne9 s TYR 256 Cb 0.08 -0.45 0.03 0.00 -0.11 0.00 0.00 41.96 41.50 1ne9 s TYR 256 CO 0.61 -0.15 0.35 0.00 -1.11 0.00 0.00 175.55 175.25 1ne9 s ALA 257 N -2.79 -0.76 -0.02 3.71 0.00 -1.26 -0.21 121.76 120.43 1ne9 s ALA 257 Ca 0.03 -0.17 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 1ne9 s ALA 257 Cb -0.00 0.63 0.05 0.00 0.00 0.00 0.00 23.12 23.79 1ne9 s ALA 257 CO -0.03 -0.60 0.49 0.20 0.00 0.00 0.00 175.76 175.81 1ne9 s GLY 258 N -2.78 -0.36 -0.16 0.00 0.00 -0.82 -4.63 107.32 98.57 1ne9 s GLY 258 Ca 0.03 0.74 -0.13 0.00 0.00 0.00 0.00 44.72 45.35 1ne9 s GLY 258 CO -0.11 0.45 0.41 -1.35 0.00 0.00 0.00 173.10 172.50 1ne9 s SER 259 N -1.41 -0.44 0.93 1.64 1.04 -1.02 -0.35 113.70 114.08 1ne9 s SER 259 Ca -0.11 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 57.03 1ne9 s SER 259 Cb -0.02 0.82 0.15 0.00 0.10 0.00 0.00 66.02 67.07 1ne9 s SER 259 CO 0.05 -0.15 1.12 -0.04 0.98 0.00 0.00 173.24 175.20 1ne9 s MET 260 N 0.41 0.98 0.82 4.02 -1.94 0.30 -3.69 119.30 120.19 1ne9 s MET 260 Ca -0.02 0.41 -0.11 0.00 -1.71 0.00 0.00 55.69 54.26 1ne9 s MET 260 Cb -0.04 -1.81 0.08 0.00 2.01 0.00 0.00 34.83 35.07 1ne9 s MET 260 CO -0.02 -2.33 1.10 -0.51 -0.01 0.00 0.00 175.02 173.25 1ne9 s ASP 261 N -3.81 4.26 0.51 3.03 -0.00 -1.26 -4.87 116.67 114.53 1ne9 s ASP 261 Ca 0.64 1.36 0.00 0.00 -0.00 0.00 0.00 52.55 54.55 1ne9 s ASP 261 Cb -0.16 -2.08 0.00 0.00 -0.00 0.00 0.00 42.92 40.68 1ne9 s ASP 261 CO 0.55 -2.12 0.00 0.61 -0.00 0.00 0.00 175.17 174.21 1ne9 n GLY 262 N -1.85 0.22 3.62 0.21 0.00 -1.26 -4.74 105.19 101.39 1ne9 n GLY 262 Ca 0.07 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1ne9 n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ne9 s ASN 263 N -4.00 6.03 0.00 1.61 0.01 -1.26 -4.85 114.94 112.47 1ne9 s ASN 263 Ca 0.00 1.74 0.11 0.00 -0.71 0.00 0.00 52.86 54.00 1ne9 s ASN 263 Cb 0.00 -2.52 0.27 0.00 0.41 0.00 0.00 41.25 39.40 1ne9 s ASN 263 CO 0.00 -1.53 1.18 0.35 -1.51 0.00 0.00 177.10 175.59 1ne9 n THR 264 N 6.90 0.78 -3.52 1.60 -2.24 -1.26 -4.99 114.28 111.55 1ne9 n THR 264 Ca 0.23 -0.89 -0.25 0.00 -2.27 0.00 0.00 64.05 60.87 1ne9 n THR 264 Cb 0.45 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1ne9 n THR 264 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ne9 n TYR 265 N 0.58 -1.75 -2.27 4.78 4.02 -1.26 -0.38 117.16 120.88 1ne9 n TYR 265 Ca 0.11 0.51 -0.20 0.00 -0.01 0.00 0.00 57.90 58.30 1ne9 n TYR 265 Cb 0.40 -2.76 -0.02 0.00 -0.02 0.00 0.00 39.34 36.94 1ne9 n TYR 265 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1ne9 n TYR 266 N -3.92 -0.87 -0.28 -0.72 4.02 -1.26 -4.19 117.16 109.94 1ne9 n TYR 266 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.04 1ne9 n TYR 266 Cb 0.52 -3.82 0.40 0.00 -0.02 0.00 0.00 39.34 36.42 1ne9 n TYR 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ne9 h ALA 267 N 0.84 1.89 -0.73 -0.72 0.00 -1.10 -0.87 119.26 118.58 1ne9 h ALA 267 Ca -0.47 0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.60 1ne9 h ALA 267 Cb 1.35 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1ne9 h ALA 267 CO 0.58 -0.16 0.48 -1.35 0.00 0.00 0.00 179.25 178.80 1ne9 h PRO 268 N 0.64 0.44 -0.28 0.00 0.11 -1.90 0.13 132.00 131.15 1ne9 h PRO 268 Ca 0.47 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.46 1ne9 h PRO 268 Cb 0.85 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1ne9 h PRO 268 CO -0.23 0.29 -0.25 1.88 -0.21 0.00 0.00 178.00 179.48 1ne9 h TYR 269 N 0.45 0.60 -0.40 0.65 0.99 -1.54 -1.46 116.97 116.27 1ne9 h TYR 269 Ca 0.35 -0.13 -0.08 0.00 2.00 0.00 0.00 58.73 60.86 1ne9 h TYR 269 Cb 0.74 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 38.31 1ne9 h TYR 269 CO -0.00 0.74 -0.08 0.00 -0.00 0.00 0.00 178.16 178.82 1ne9 h ALA 270 N 1.26 0.55 -0.20 3.88 0.00 -0.79 -0.37 119.26 123.59 1ne9 h ALA 270 Ca 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ne9 h ALA 270 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ne9 h ALA 270 CO 0.05 0.40 0.12 0.28 0.00 0.00 0.00 179.25 180.10 1ne9 h VAL 271 N 0.57 1.03 -0.64 0.00 2.07 -0.90 -1.65 116.25 116.74 1ne9 h VAL 271 Ca 0.10 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1ne9 h VAL 271 Cb 0.60 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1ne9 h VAL 271 CO 0.04 0.04 0.42 1.56 0.02 0.00 0.00 177.57 179.65 1ne9 h GLN 272 N 0.25 0.82 -0.95 1.57 1.08 -1.12 -1.15 115.11 115.60 1ne9 h GLN 272 Ca 0.08 -0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1ne9 h GLN 272 Cb -0.01 -0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 27.17 1ne9 h GLN 272 CO -0.03 0.54 0.62 1.03 -0.95 0.00 0.00 178.83 180.04 1ne9 h SER 273 N 0.85 1.00 0.26 1.46 0.87 -0.68 0.04 113.55 117.34 1ne9 h SER 273 Ca 0.24 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.61 1ne9 h SER 273 Cb -0.08 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1ne9 h SER 273 CO -0.06 0.66 -0.74 -0.33 -0.53 0.00 0.00 176.83 175.82 1ne9 h GLU 274 N 1.15 0.41 -0.54 2.24 4.39 -0.84 -0.60 114.58 120.79 1ne9 h GLU 274 Ca 0.40 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1ne9 h GLU 274 Cb 0.09 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1ne9 h GLU 274 CO -0.15 0.98 -0.02 0.52 -1.16 0.00 0.00 179.01 179.18 1ne9 h MET 275 N 0.28 0.97 -0.45 2.33 2.86 -0.69 -0.61 114.93 119.62 1ne9 h MET 275 Ca -0.03 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.19 1ne9 h MET 275 Cb 1.32 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1ne9 h MET 275 CO 0.13 0.99 -0.10 0.82 1.06 0.00 0.00 176.91 179.81 1ne9 h ILE 276 N 0.84 1.26 -0.43 -1.22 2.04 -0.92 -1.90 117.51 117.17 1ne9 h ILE 276 Ca 0.15 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1ne9 h ILE 276 Cb 0.56 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1ne9 h ILE 276 CO 0.03 0.40 0.07 -0.61 0.00 0.00 0.00 178.15 178.04 1ne9 h GLN 277 N 0.73 0.66 -0.69 2.37 5.75 -0.68 0.18 115.11 123.43 1ne9 h GLN 277 Ca 0.12 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1ne9 h GLN 277 Cb 0.58 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1ne9 h GLN 277 CO 0.04 0.63 0.21 2.35 -2.65 0.00 0.00 178.83 179.41 1ne9 h TRP 278 N 0.64 1.12 -0.59 3.99 7.01 -0.57 0.20 115.95 127.74 1ne9 h TRP 278 Ca 0.14 -0.12 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 1ne9 h TRP 278 Cb 0.30 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1ne9 h TRP 278 CO 0.01 0.90 0.14 0.00 -2.79 0.00 0.00 178.44 176.70 1ne9 h ALA 279 N 1.09 0.78 -0.07 2.65 0.00 -0.55 -1.57 119.26 121.61 1ne9 h ALA 279 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ne9 h ALA 279 Cb 0.31 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ne9 h ALA 279 CO -0.01 0.49 -0.00 -0.07 0.00 0.00 0.00 179.25 179.67 1ne9 h LEU 280 N 0.86 0.12 -2.23 0.00 3.38 -0.60 0.08 115.31 116.91 1ne9 h LEU 280 Ca 0.19 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ne9 h LEU 280 Cb 0.36 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ne9 h LEU 280 CO 0.00 0.41 0.08 0.44 0.09 0.00 0.00 178.44 179.46 1ne9 h ASP 281 N -0.18 0.00 -0.68 -0.43 3.32 -0.48 -1.19 116.42 116.78 1ne9 h ASP 281 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ne9 h ASP 281 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1ne9 h ASP 281 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 1ne9 n THR 282 N -4.09 0.96 -3.87 0.35 -2.24 -0.60 -4.96 114.28 99.83 1ne9 n THR 282 Ca -0.01 -0.98 -0.28 0.00 -2.27 0.00 0.00 64.05 60.51 1ne9 n THR 282 Cb 0.18 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1ne9 n THR 282 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ne9 n ASN 283 N 1.54 -4.07 -4.77 3.42 3.02 -0.45 -4.94 115.26 109.01 1ne9 n ASN 283 Ca 0.23 -0.79 -0.39 0.00 -0.03 0.00 0.00 54.58 53.60 1ne9 n ASN 283 Cb 0.60 -3.92 -0.06 0.00 -0.61 0.00 0.00 39.78 35.79 1ne9 n ASN 283 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ne9 s THR 284 N -3.38 4.27 0.08 3.41 2.01 -0.04 -4.98 115.64 117.01 1ne9 s THR 284 Ca 0.53 1.82 -0.18 0.00 0.31 0.00 0.00 61.69 64.17 1ne9 s THR 284 Cb -0.26 -4.19 -0.10 0.00 0.01 0.00 0.00 72.50 67.96 1ne9 s THR 284 CO 0.83 0.50 1.44 0.44 -0.69 0.00 0.00 174.62 177.13 1ne9 h ASP 285 N 4.20 0.52 -4.31 3.53 5.19 -1.85 -3.44 116.42 120.27 1ne9 h ASP 285 Ca -0.46 -0.41 -0.50 0.00 -0.62 0.00 0.00 57.03 55.04 1ne9 h ASP 285 Cb 1.20 -0.14 -0.22 0.00 0.18 0.00 0.00 39.33 40.35 1ne9 h ASP 285 CO 0.67 0.81 -0.81 -0.76 -3.12 0.00 0.00 179.24 176.03 1ne9 s LEU 286 N -9.22 2.27 -0.23 1.55 1.43 0.45 -0.59 118.68 114.34 1ne9 s LEU 286 Ca -0.13 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1ne9 s LEU 286 Cb 0.07 -0.73 0.05 0.00 0.03 0.00 0.00 46.19 45.61 1ne9 s LEU 286 CO 0.77 0.02 -0.11 -0.47 0.23 0.00 0.00 176.35 176.79 1ne9 s TYR 287 N -1.14 2.80 -0.40 0.29 5.04 -0.35 -0.94 117.35 122.66 1ne9 s TYR 287 Ca 0.03 -1.92 -0.15 0.00 -2.44 0.00 0.00 57.07 52.59 1ne9 s TYR 287 Cb -0.10 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.44 1ne9 s TYR 287 CO 0.03 -0.81 0.32 0.34 -1.34 0.00 0.00 175.55 174.09 1ne9 s ASP 288 N 1.26 6.12 0.00 4.32 3.68 0.56 -0.32 116.67 132.29 1ne9 s ASP 288 Ca -0.04 -0.74 0.29 0.00 2.13 0.00 0.00 52.55 54.19 1ne9 s ASP 288 Cb -0.18 -2.17 1.49 0.00 -1.45 0.00 0.00 42.92 40.61 1ne9 s ASP 288 CO -0.07 -0.43 1.99 0.18 0.13 0.00 0.00 175.17 176.96 1ne9 n LEU 289 N 5.24 0.68 0.00 -1.34 4.32 0.13 -0.67 117.00 125.36 1ne9 n LEU 289 Ca -0.10 -0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1ne9 n LEU 289 Cb 0.48 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1ne9 n LEU 289 CO 0.41 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.31 1ne9 n GLY 290 N 1.07 -1.87 3.88 -0.72 0.00 -1.25 -4.81 105.19 101.49 1ne9 n GLY 290 Ca 0.21 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1ne9 n GLY 290 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ne9 s GLY 291 N -0.46 1.62 0.11 -0.02 0.00 -1.26 -0.61 107.32 106.70 1ne9 s GLY 291 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1ne9 s GLY 291 CO 0.00 -0.01 -0.01 -0.26 0.00 0.00 0.00 173.10 172.82 1ne9 s ILE 292 N -3.40 0.41 -0.02 0.90 -4.36 -0.82 -4.85 121.20 109.06 1ne9 s ILE 292 Ca 0.59 -1.91 -0.11 0.00 -0.26 0.00 0.00 60.65 58.97 1ne9 s ILE 292 Cb -0.11 -1.83 -0.32 0.00 1.25 0.00 0.00 42.46 41.45 1ne9 s ILE 292 CO 0.51 -0.71 0.78 -0.33 0.24 0.00 0.00 174.94 175.44 1ne9 h GLU 293 N 2.93 0.41 -2.32 0.37 5.08 -1.96 -3.42 114.58 115.68 1ne9 h GLU 293 Ca -0.35 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.30 1ne9 h GLU 293 Cb 1.18 0.26 -0.17 0.00 0.50 0.00 0.00 28.75 30.52 1ne9 h GLU 293 CO 0.63 1.33 0.30 -1.54 -1.00 0.00 0.00 179.01 178.72 1ne9 s SER 294 N -7.33 -0.54 -1.47 1.42 1.04 -1.26 -5.02 113.70 100.54 1ne9 s SER 294 Ca -0.13 0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 1ne9 s SER 294 Cb 0.05 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1ne9 s SER 294 CO 0.88 -0.69 2.45 1.21 0.98 0.00 0.00 173.24 178.07 1ne9 n GLU 295 N 0.27 3.49 -3.92 4.02 2.13 -1.26 -4.64 120.64 120.73 1ne9 n GLU 295 Ca -0.15 -2.71 -0.11 0.00 0.66 0.00 0.00 57.16 54.85 1ne9 n GLU 295 Cb 0.61 -2.98 -0.12 0.00 0.27 0.00 0.00 31.44 29.21 1ne9 n GLU 295 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ne9 s SER 296 N 2.12 0.10 0.00 4.31 0.15 -1.26 -5.02 113.70 114.10 1ne9 s SER 296 Ca 0.55 -0.23 0.09 0.00 0.70 0.00 0.00 55.95 57.06 1ne9 s SER 296 Cb 0.15 0.10 0.41 0.00 -1.71 0.00 0.00 66.02 64.97 1ne9 s SER 296 CO -0.07 -0.18 1.21 0.35 1.20 0.00 0.00 173.24 175.75 1ne9 n THR 297 N 2.21 1.10 0.92 6.45 -2.24 -1.26 -0.96 114.28 120.50 1ne9 n THR 297 Ca -0.19 0.27 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1ne9 n THR 297 Cb 0.57 -1.13 0.51 0.00 -2.10 0.00 0.00 70.33 68.18 1ne9 n THR 297 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ne9 n ASP 298 N -1.39 0.24 -4.50 3.42 8.00 -1.26 -4.64 116.55 116.42 1ne9 n ASP 298 Ca 0.03 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 1ne9 n ASP 298 Cb 0.08 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 1ne9 n ASP 298 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ne9 s ASP 299 N -3.30 6.16 0.39 -2.24 -1.08 -0.14 -4.95 116.67 111.52 1ne9 s ASP 299 Ca 0.13 -0.58 0.09 0.00 -0.52 0.00 0.00 52.55 51.67 1ne9 s ASP 299 Cb 0.17 -2.19 0.87 0.00 -1.46 0.00 0.00 42.92 40.31 1ne9 s ASP 299 CO 0.57 -0.45 1.98 0.77 0.52 0.00 0.00 175.17 178.56 1ne9 h SER 300 N 8.61 0.53 -0.26 -0.34 4.64 -1.85 -0.79 113.55 124.09 1ne9 h SER 300 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1ne9 h SER 300 Cb 1.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1ne9 h SER 300 CO 0.73 0.34 0.08 -0.07 -0.87 0.00 0.00 176.83 177.04 1ne9 h LEU 301 N 0.60 0.37 0.22 5.97 3.38 -1.93 -2.21 115.31 121.70 1ne9 h LEU 301 Ca 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ne9 h LEU 301 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ne9 h LEU 301 CO -0.09 0.47 -0.10 0.22 0.09 0.00 0.00 178.44 179.03 1ne9 h TYR 302 N 0.25 -0.27 -0.53 1.13 3.20 -1.53 -0.50 116.97 118.71 1ne9 h TYR 302 Ca 0.08 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.05 1ne9 h TYR 302 Cb 0.23 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.51 1ne9 h TYR 302 CO 0.00 -0.13 0.03 0.28 -1.64 0.00 0.00 178.16 176.71 1ne9 h VAL 303 N -0.34 0.62 0.34 1.81 2.07 -1.15 0.88 116.25 120.46 1ne9 h VAL 303 Ca -0.03 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ne9 h VAL 303 Cb 0.26 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ne9 h VAL 303 CO 0.05 0.03 -0.16 0.15 0.02 0.00 0.00 177.57 177.66 1ne9 h PHE 304 N 0.15 -0.42 0.00 1.57 3.57 -1.28 -3.12 116.94 117.41 1ne9 h PHE 304 Ca 0.27 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1ne9 h PHE 304 Cb 0.40 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1ne9 h PHE 304 CO -0.30 -0.13 -0.21 0.87 -2.23 0.00 0.00 178.31 176.31 1ne9 h LYS 305 N -0.68 0.00 0.00 1.11 1.57 -0.69 -2.21 116.57 115.67 1ne9 h LYS 305 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ne9 h LYS 305 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ne9 h LYS 305 CO 0.08 0.21 0.00 1.25 -0.57 0.00 0.00 179.45 180.42 1ne9 h HIS 306 N 0.00 0.00 -0.36 -1.35 2.76 0.84 -0.29 115.15 116.76 1ne9 h HIS 306 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1ne9 h HIS 306 Cb 0.49 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1ne9 h HIS 306 CO 0.00 0.00 -0.12 0.28 -1.30 0.00 0.00 177.93 176.79 1ne9 h VAL 307 N 0.00 1.24 0.00 5.26 2.07 -1.35 -3.18 116.25 120.30 1ne9 h VAL 307 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1ne9 h VAL 307 Cb 0.36 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ne9 h VAL 307 CO 0.00 0.36 -1.38 0.49 0.02 0.00 0.00 177.57 177.07 1ne9 n PHE 308 N -4.18 0.03 -3.78 1.57 3.01 -0.56 -4.80 117.46 108.75 1ne9 n PHE 308 Ca 0.01 0.01 -0.30 0.00 1.01 0.00 0.00 57.45 58.18 1ne9 n PHE 308 Cb 0.34 -0.24 -0.15 0.00 -0.01 0.00 0.00 39.48 39.42 1ne9 n PHE 308 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ne9 s VAL 309 N -3.22 1.00 -0.23 -4.37 1.01 -0.23 -4.85 120.40 109.52 1ne9 s VAL 309 Ca 0.02 -1.28 0.20 0.00 0.00 0.00 0.00 61.98 60.92 1ne9 s VAL 309 Cb 0.15 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1ne9 s VAL 309 CO 0.88 -0.50 1.12 0.11 0.00 0.00 0.00 175.10 176.71 1ne9 h LYS 310 N 8.06 0.00 -7.29 2.72 1.79 -1.87 -3.39 116.57 116.59 1ne9 h LYS 310 Ca -0.14 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.84 1ne9 h LYS 310 Cb 1.04 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.86 1ne9 h LYS 310 CO 0.44 0.14 0.21 -0.51 -1.08 0.00 0.00 179.45 178.65 1ne9 s ASP 311 N -5.74 3.02 0.61 0.86 1.01 -1.26 -4.95 116.67 110.22 1ne9 s ASP 311 Ca 0.01 1.69 -0.18 0.00 0.71 0.00 0.00 52.55 54.78 1ne9 s ASP 311 Cb 0.08 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1ne9 s ASP 311 CO 0.77 -2.95 1.16 0.00 0.21 0.00 0.00 175.17 174.36 1ne9 s ALA 312 N -2.78 2.51 0.60 5.23 0.00 -1.26 -4.95 121.76 121.10 1ne9 s ALA 312 Ca 0.65 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 1ne9 s ALA 312 Cb -0.20 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1ne9 s ALA 312 CO 0.58 -1.17 1.20 -2.14 0.00 0.00 0.00 175.76 174.23 1ne9 s PRO 313 N -3.58 2.94 0.26 0.00 0.02 -1.26 -4.83 135.00 128.55 1ne9 s PRO 313 Ca 0.73 1.80 -0.29 0.00 0.02 0.00 0.00 61.00 63.26 1ne9 s PRO 313 Cb -0.26 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 1ne9 s PRO 313 CO 0.35 -1.22 0.94 1.03 -0.33 0.00 0.00 177.00 177.77 1ne9 s ARG 314 N -3.38 4.80 -0.23 5.54 0.52 0.75 -4.82 118.95 122.13 1ne9 s ARG 314 Ca 0.77 1.46 -0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1ne9 s ARG 314 Cb -0.30 -3.17 0.03 0.00 0.52 0.00 0.00 34.95 32.03 1ne9 s ARG 314 CO 0.34 0.46 -0.11 -2.00 0.02 0.00 0.00 175.30 174.01 1ne9 s GLU 315 N -1.38 2.79 0.56 3.54 2.12 -1.26 -0.76 118.70 124.32 1ne9 s GLU 315 Ca 0.43 -0.99 -0.06 0.00 0.36 0.00 0.00 54.97 54.71 1ne9 s GLU 315 Cb -0.24 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1ne9 s GLU 315 CO 0.30 -0.37 0.87 0.71 -0.54 0.00 0.00 175.26 176.23 1ne9 s TYR 316 N 1.28 3.37 0.63 5.30 4.12 -0.15 -0.10 117.35 131.81 1ne9 s TYR 316 Ca 0.00 0.74 0.37 0.00 0.02 0.00 0.00 57.07 58.20 1ne9 s TYR 316 Cb -0.16 -2.60 2.11 0.00 -1.52 0.00 0.00 41.96 39.79 1ne9 s TYR 316 CO -0.07 -0.64 2.29 0.97 0.02 0.00 0.00 175.55 178.12 1ne9 h ILE 317 N -0.06 0.24 0.00 2.71 6.09 -1.05 -3.37 117.51 122.07 1ne9 h ILE 317 Ca -0.46 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1ne9 h ILE 317 Cb 1.24 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.50 1ne9 h ILE 317 CO 0.61 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.30 1ne9 n GLY 318 N -1.20 0.02 3.72 8.18 0.00 -1.26 -4.48 105.19 110.16 1ne9 n GLY 318 Ca -0.03 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 1ne9 n GLY 318 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ne9 s GLU 319 N 0.00 4.30 -0.31 1.61 2.02 -0.59 -4.26 118.70 121.48 1ne9 s GLU 319 Ca 0.00 0.34 -0.07 0.00 0.02 0.00 0.00 54.97 55.26 1ne9 s GLU 319 Cb 0.00 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.81 1ne9 s GLU 319 CO 0.00 0.16 0.10 0.42 0.02 0.00 0.00 175.26 175.96 1ne9 s ILE 320 N 0.66 3.97 -0.20 -1.63 1.01 0.08 -0.13 121.20 124.97 1ne9 s ILE 320 Ca 0.23 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 1ne9 s ILE 320 Cb -0.14 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1ne9 s ILE 320 CO 0.08 -0.02 0.04 -1.81 0.00 0.00 0.00 174.94 173.23 1ne9 s ASP 321 N 1.48 5.27 -0.49 3.58 1.01 0.12 -1.63 116.67 125.99 1ne9 s ASP 321 Ca 0.01 -0.06 -0.16 0.00 0.71 0.00 0.00 52.55 53.05 1ne9 s ASP 321 Cb -0.18 -1.91 0.08 0.00 1.01 0.00 0.00 42.92 41.92 1ne9 s ASP 321 CO 0.03 0.11 0.47 -0.75 0.21 0.00 0.00 175.17 175.24 1ne9 s LYS 322 N 0.74 3.01 -0.16 8.23 2.47 0.50 -1.06 119.74 133.48 1ne9 s LYS 322 Ca 0.02 -1.31 -0.29 0.00 -1.56 0.00 0.00 55.97 52.83 1ne9 s LYS 322 Cb -0.14 -4.16 -0.01 0.00 -1.46 0.00 0.00 37.83 32.07 1ne9 s LYS 322 CO 0.02 -1.13 1.13 0.08 0.16 0.00 0.00 175.35 175.60 1ne9 s VAL 323 N 1.88 4.51 -0.19 4.02 1.01 -1.26 -1.48 120.40 128.88 1ne9 s VAL 323 Ca 0.06 1.82 -0.05 0.00 0.00 0.00 0.00 61.98 63.81 1ne9 s VAL 323 Cb -0.24 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1ne9 s VAL 323 CO 0.07 -0.10 -0.21 0.18 0.00 0.00 0.00 175.10 175.03 1ne9 n LEU 324 N 5.98 2.13 -4.07 3.92 4.77 -0.34 -4.82 117.00 124.58 1ne9 n LEU 324 Ca 0.12 0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.84 1ne9 n LEU 324 Cb 0.46 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1ne9 n LEU 324 CO 0.54 0.60 -0.17 -0.62 -1.33 0.00 0.00 177.39 176.40 1ne9 s ASP 325 N -6.31 5.01 0.30 -1.43 -1.08 -0.39 -4.98 116.67 107.79 1ne9 s ASP 325 Ca -0.26 -2.33 0.02 0.00 -0.52 0.00 0.00 52.55 49.46 1ne9 s ASP 325 Cb 0.09 -1.76 0.58 0.00 -1.46 0.00 0.00 42.92 40.37 1ne9 s ASP 325 CO 0.38 -0.43 1.86 -0.65 0.52 0.00 0.00 175.17 176.85 1ne9 h PRO 326 N 7.56 0.94 -0.10 4.34 0.11 -1.87 0.26 132.00 143.24 1ne9 h PRO 326 Ca -0.08 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 1ne9 h PRO 326 Cb 1.00 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1ne9 h PRO 326 CO 0.65 0.62 -0.07 1.49 -0.21 0.00 0.00 178.00 180.49 1ne9 h GLU 327 N 0.97 0.22 -0.32 1.05 4.81 -1.97 -1.42 114.58 117.92 1ne9 h GLU 327 Ca 0.46 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1ne9 h GLU 327 Cb 0.43 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1ne9 h GLU 327 CO -0.22 0.61 -0.27 0.28 -0.73 0.00 0.00 179.01 178.68 1ne9 h VAL 328 N -0.17 1.28 -0.24 0.32 2.07 -1.91 -2.37 116.25 115.23 1ne9 h VAL 328 Ca 0.02 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1ne9 h VAL 328 Cb 0.55 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1ne9 h VAL 328 CO 0.02 0.44 0.12 0.22 0.02 0.00 0.00 177.57 178.39 1ne9 h TYR 329 N 0.56 0.22 0.00 1.57 3.20 -0.87 -0.37 116.97 121.28 1ne9 h TYR 329 Ca 0.07 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1ne9 h TYR 329 Cb 0.75 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 1ne9 h TYR 329 CO 0.03 0.12 -0.16 0.00 -1.64 0.00 0.00 178.16 176.51 1ne9 h ALA 330 N 1.12 1.69 -0.06 1.82 0.00 -1.10 0.21 119.26 122.94 1ne9 h ALA 330 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ne9 h ALA 330 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ne9 h ALA 330 CO -0.07 0.20 -0.16 0.93 0.00 0.00 0.00 179.25 180.15 1ne9 h GLU 331 N 0.00 0.21 0.00 0.00 5.08 -0.82 -3.36 114.58 115.70 1ne9 h GLU 331 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ne9 h GLU 331 Cb 0.29 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ne9 h GLU 331 CO 0.02 0.77 -0.85 1.28 -1.00 0.00 0.00 179.01 179.23 1ne9 n LEU 332 N -4.59 0.70 -3.93 1.33 4.77 -0.22 -4.85 117.00 110.22 1ne9 n LEU 332 Ca -0.08 0.19 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1ne9 n LEU 332 Cb 0.40 -0.13 -0.17 0.00 -2.33 0.00 0.00 43.42 41.20 1ne9 n LEU 332 CO 0.38 -0.06 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.24 1ne9 s VAL 333 N -3.23 1.15 0.10 4.08 1.01 0.70 -5.07 120.40 119.14 1ne9 s VAL 333 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ne9 s VAL 333 Cb 0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1ne9 s VAL 333 CO 0.76 0.36 0.02 -0.54 0.00 0.00 0.00 175.10 175.71 1ne9 s LYS 334 N 1.65 0.80 0.00 2.72 1.02 -1.26 -4.49 119.74 120.19 1ne9 s LYS 334 Ca 0.04 -1.35 0.14 0.00 0.02 0.00 0.00 55.97 54.82 1ne9 s LYS 334 Cb -0.13 0.23 0.82 0.00 -0.52 0.00 0.00 37.83 38.24 1ne9 s LYS 334 CO -0.09 -0.20 1.25 -0.25 -0.92 0.00 0.00 175.35 175.14