#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br3 n ASP 3 N 0.00 0.55 0.09 1.20 10.43 -1.26 -3.03 116.55 124.52 2br3 n ASP 3 Ca 0.00 0.69 0.00 0.00 2.57 0.00 0.00 54.79 58.06 2br3 n ASP 3 Cb 0.00 -0.79 0.32 0.00 1.84 0.00 0.00 41.12 42.49 2br3 n ASP 3 CO 0.00 0.00 0.00 0.10 -1.07 0.00 0.00 177.20 176.23 2br3 h TYR 4 N 0.00 0.32 0.00 1.24 -0.00 -2.06 -2.82 116.97 113.65 2br3 h TYR 4 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 58.73 58.64 2br3 h TYR 4 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 36.81 2br3 h TYR 4 CO 0.00 0.49 -0.18 0.66 -0.00 0.00 0.00 178.16 179.13 2br3 h SER 5 N 0.28 0.00 -1.54 0.10 4.64 -2.05 -3.19 113.55 111.79 2br3 h SER 5 Ca 0.05 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.77 2br3 h SER 5 Cb 0.51 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.19 2br3 h SER 5 CO 0.03 0.18 -0.66 -2.11 -0.87 0.00 0.00 176.83 173.41 2br3 n ARG 6 N -3.30 3.40 -4.64 4.77 1.85 -1.07 -5.03 116.66 112.65 2br3 n ARG 6 Ca 0.01 -4.47 -0.24 0.00 -1.00 0.00 0.00 57.85 52.15 2br3 n ARG 6 Cb 0.43 -2.25 -0.14 0.00 -1.05 0.00 0.00 32.46 29.44 2br3 n ARG 6 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2br3 s GLN 7 N -3.56 1.29 -0.29 2.89 2.00 -1.21 -5.06 119.66 115.72 2br3 s GLN 7 Ca 0.48 -0.80 -0.18 0.00 -2.00 0.00 0.00 55.36 52.87 2br3 s GLN 7 Cb 0.40 -1.33 -0.02 0.00 0.80 0.00 0.00 33.01 32.86 2br3 s GLN 7 CO -0.20 0.35 0.52 1.21 -0.50 0.00 0.00 175.29 176.66 2br3 s ASN 8 N -0.92 6.40 -0.54 6.67 3.84 -1.26 -5.05 114.94 124.08 2br3 s ASN 8 Ca 0.06 0.37 -0.16 0.00 0.21 0.00 0.00 52.86 53.33 2br3 s ASN 8 Cb -0.08 -2.28 0.13 0.00 -0.55 0.00 0.00 41.25 38.47 2br3 s ASN 8 CO 0.01 -0.34 0.51 -0.36 -2.79 0.00 0.00 177.10 174.13 2br3 s PHE 9 N 2.35 3.23 0.72 0.43 0.40 -1.26 -5.07 117.98 118.78 2br3 s PHE 9 Ca 0.21 -1.26 -0.15 0.00 -0.60 0.00 0.00 56.93 55.12 2br3 s PHE 9 Cb -0.15 -3.81 0.03 0.00 0.51 0.00 0.00 43.02 39.60 2br3 s PHE 9 CO 0.10 -1.04 1.19 -0.51 0.70 0.00 0.00 175.22 175.67 2br3 s LEU 10 N 1.67 3.33 -0.28 -0.37 1.43 -1.26 -4.96 118.68 118.25 2br3 s LEU 10 Ca 0.04 2.29 -0.29 0.00 -1.03 0.00 0.00 54.13 55.14 2br3 s LEU 10 Cb -0.30 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.35 2br3 s LEU 10 CO 0.03 -2.14 1.09 -0.62 0.23 0.00 0.00 176.35 174.94 2br3 s ASP 11 N -2.12 6.97 0.43 2.29 -1.08 -1.26 -4.91 116.67 116.98 2br3 s ASP 11 Ca 0.73 1.21 0.20 0.00 -0.52 0.00 0.00 52.55 54.17 2br3 s ASP 11 Cb -0.28 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.60 2br3 s ASP 11 CO 0.44 -0.82 1.88 -0.07 0.52 0.00 0.00 175.17 177.12 2br3 h LEU 12 N 9.92 0.00 -2.05 -1.34 4.07 -2.01 -2.95 115.31 120.95 2br3 h LEU 12 Ca -0.21 0.00 0.11 0.00 0.08 0.00 0.00 57.88 57.87 2br3 h LEU 12 Cb 1.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 2br3 h LEU 12 CO 1.01 0.28 0.31 0.78 -1.08 0.00 0.00 178.44 179.74 2br3 h ASN 13 N 0.00 0.00 0.11 -0.43 2.35 -2.01 1.00 115.58 116.59 2br3 h ASN 13 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2br3 h ASN 13 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 2br3 h ASN 13 CO 0.04 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.75 2br3 h LEU 14 N 0.00 0.00 -2.60 1.61 4.07 -1.94 -2.32 115.31 114.13 2br3 h LEU 14 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2br3 h LEU 14 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 2br3 h LEU 14 CO -0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 2br3 n PHE 15 N -3.02 1.20 -2.41 1.13 0.99 0.34 -4.89 117.46 110.81 2br3 n PHE 15 Ca -0.02 -0.49 -0.43 0.00 -0.00 0.00 0.00 57.45 56.51 2br3 n PHE 15 Cb 0.09 -0.19 -0.02 0.00 -1.00 0.00 0.00 39.48 38.36 2br3 n PHE 15 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2br3 s ARG 16 N -1.72 4.11 -0.28 -1.08 0.52 -0.88 -2.07 118.95 117.55 2br3 s ARG 16 Ca 0.42 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 2br3 s ARG 16 Cb 0.27 -3.81 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2br3 s ARG 16 CO 0.21 -0.87 0.00 0.41 0.02 0.00 0.00 175.30 175.08 2br3 n GLY 17 N 3.89 0.55 1.39 -3.53 0.00 -1.26 -4.81 105.19 101.41 2br3 n GLY 17 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2br3 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br3 n LEU 18 N -0.30 0.24 0.00 0.99 4.77 -1.01 -5.09 117.00 116.61 2br3 n LEU 18 Ca -0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2br3 n LEU 18 Cb 0.20 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2br3 n LEU 18 CO 0.04 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 2br3 n GLY 19 N 2.56 0.81 0.10 -0.72 0.00 -0.88 -4.86 105.19 102.19 2br3 n GLY 19 Ca 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.74 2br3 n GLY 19 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2br3 h GLU 20 N 0.00 0.00 -3.63 1.61 5.08 -1.97 -3.42 114.58 112.25 2br3 h GLU 20 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 2br3 h GLU 20 Cb 0.00 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 28.87 2br3 h GLU 20 CO 0.00 0.61 -0.76 0.34 -1.00 0.00 0.00 179.01 178.20 2br3 s ASP 21 N -6.36 1.57 0.54 1.42 -1.08 -1.26 -5.01 116.67 106.48 2br3 s ASP 21 Ca 0.01 -0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.15 2br3 s ASP 21 Cb 0.09 -0.40 1.42 0.00 -1.46 0.00 0.00 42.92 42.57 2br3 s ASP 21 CO 0.79 -0.21 2.17 -0.65 0.52 0.00 0.00 175.17 177.79 2br3 h PRO 22 N 8.34 0.00 -6.85 4.34 0.11 -1.91 -3.43 132.00 132.60 2br3 h PRO 22 Ca -0.18 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.45 2br3 h PRO 22 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2br3 h PRO 22 CO 0.25 0.02 0.27 0.00 -0.21 0.00 0.00 178.00 178.32 2br3 s ALA 23 N -4.89 3.22 0.30 -0.75 0.00 -1.26 -4.48 121.76 113.90 2br3 s ALA 23 Ca -0.05 0.37 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 2br3 s ALA 23 Cb 0.16 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 2br3 s ALA 23 CO 0.63 0.21 0.98 -0.47 0.00 0.00 0.00 175.76 177.11 2br3 s TYR 24 N -1.78 3.70 -0.04 0.00 5.04 -1.26 -4.90 117.35 118.11 2br3 s TYR 24 Ca 0.52 1.79 -0.01 0.00 -2.44 0.00 0.00 57.07 56.93 2br3 s TYR 24 Cb -0.15 -3.02 0.03 0.00 0.35 0.00 0.00 41.96 39.17 2br3 s TYR 24 CO 0.20 0.07 0.08 -1.01 -1.34 0.00 0.00 175.55 173.54 2br3 s HIS 25 N -1.44 -0.06 0.52 4.97 3.76 -1.26 -5.02 115.29 116.75 2br3 s HIS 25 Ca 0.48 0.27 -0.22 0.00 -0.15 0.00 0.00 55.06 55.44 2br3 s HIS 25 Cb -0.23 -0.13 -0.06 0.00 1.11 0.00 0.00 32.58 33.27 2br3 s HIS 25 CO 0.29 -0.11 1.27 -2.30 -0.85 0.00 0.00 174.74 173.04 2br3 n PRO 26 N 3.99 1.65 -0.67 8.40 -0.02 -1.26 -4.97 135.00 142.11 2br3 n PRO 26 Ca -0.25 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 2br3 n PRO 26 Cb 0.52 -2.46 0.17 0.00 -0.02 0.00 0.00 33.50 31.72 2br3 n PRO 26 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2br3 n PRO 27 N -0.69 -0.55 -3.83 0.52 -0.04 -1.26 -5.04 135.00 124.11 2br3 n PRO 27 Ca 0.10 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 2br3 n PRO 27 Cb 0.43 -2.33 -0.13 0.00 -0.04 0.00 0.00 33.50 31.44 2br3 n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2br3 s VAL 28 N -2.61 -0.00 0.16 0.52 1.01 -1.26 -5.15 120.40 113.06 2br3 s VAL 28 Ca 0.66 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 2br3 s VAL 28 Cb -0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 2br3 s VAL 28 CO 0.59 0.00 0.58 -0.76 0.00 0.00 0.00 175.10 175.52 2br3 s LEU 29 N 0.12 4.35 0.00 3.92 1.02 -1.26 -4.79 118.68 122.04 2br3 s LEU 29 Ca -0.01 1.16 0.00 0.00 0.02 0.00 0.00 54.13 55.30 2br3 s LEU 29 Cb -0.01 -3.30 0.00 0.00 0.02 0.00 0.00 46.19 42.89 2br3 s LEU 29 CO -0.00 0.10 0.00 0.35 0.02 0.00 0.00 176.35 176.82 2br3 n THR 30 N 0.86 0.00 -1.23 5.49 -2.24 -1.26 -4.84 114.28 111.06 2br3 n THR 30 Ca -0.05 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 2br3 n THR 30 Cb 0.52 -0.56 0.22 0.00 -2.10 0.00 0.00 70.33 68.41 2br3 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br3 n ASP 31 N -2.01 3.12 -3.58 3.42 5.75 -1.26 -5.02 116.55 116.97 2br3 n ASP 31 Ca 0.00 -3.40 -0.05 0.00 -0.01 0.00 0.00 54.79 51.32 2br3 n ASP 31 Cb 0.39 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 2br3 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br3 s ARG 32 N -3.05 0.40 0.55 0.11 1.70 -1.26 -5.13 118.95 112.27 2br3 s ARG 32 Ca 0.43 -0.11 -0.19 0.00 -0.47 0.00 0.00 55.73 55.40 2br3 s ARG 32 Cb 0.37 0.19 -0.06 0.00 -0.57 0.00 0.00 34.95 34.88 2br3 s ARG 32 CO 0.04 -0.17 1.09 -1.25 -1.08 0.00 0.00 175.30 173.94 2br3 s PRO 33 N -2.30 3.40 0.17 3.89 0.04 -1.26 -4.88 135.00 134.06 2br3 s PRO 33 Ca 0.07 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 2br3 s PRO 33 Cb -0.01 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.53 2br3 s PRO 33 CO -0.05 -0.78 1.41 -0.09 0.04 0.00 0.00 177.00 177.53 2br3 h ARG 34 N 1.05 0.44 -3.77 4.56 2.43 -2.01 -3.38 114.38 113.69 2br3 h ARG 34 Ca -0.49 -0.37 -0.79 0.00 -0.81 0.00 0.00 59.98 57.52 2br3 h ARG 34 Cb 1.24 0.08 -0.26 0.00 -0.42 0.00 0.00 29.97 30.61 2br3 h ARG 34 CO 0.57 1.01 0.55 -0.51 -1.51 0.00 0.00 179.97 180.08 2br3 s ASP 35 N -6.99 7.24 0.08 -3.80 1.01 -1.26 -5.03 116.67 107.91 2br3 s ASP 35 Ca -0.06 -3.42 -0.31 0.00 0.71 0.00 0.00 52.55 49.47 2br3 s ASP 35 Cb 0.10 -2.24 -0.07 0.00 1.01 0.00 0.00 42.92 41.72 2br3 s ASP 35 CO 0.85 -0.38 1.39 0.86 0.21 0.00 0.00 175.17 178.09 2br3 s TRP 36 N -0.70 3.14 0.16 4.23 -0.11 -1.26 -4.97 118.94 119.43 2br3 s TRP 36 Ca 0.31 0.92 -0.30 0.00 1.22 0.00 0.00 56.10 58.25 2br3 s TRP 36 Cb -0.09 -3.67 -0.08 0.00 -1.50 0.00 0.00 33.47 28.13 2br3 s TRP 36 CO -0.07 -2.37 1.29 -1.25 -4.62 0.00 0.00 176.95 169.93 2br3 s PRO 37 N 1.44 4.40 0.30 5.86 0.04 -1.26 -4.93 135.00 140.85 2br3 s PRO 37 Ca 0.64 2.00 0.25 0.00 0.04 0.00 0.00 61.00 63.93 2br3 s PRO 37 Cb -0.35 -3.23 1.01 0.00 0.04 0.00 0.00 34.50 31.97 2br3 s PRO 37 CO 0.29 -0.26 1.76 -0.07 0.04 0.00 0.00 177.00 178.76 2br3 h LEU 38 N 5.80 0.00 -0.53 -3.56 4.07 -1.98 -2.53 115.31 116.57 2br3 h LEU 38 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2br3 h LEU 38 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2br3 h LEU 38 CO 0.79 0.00 0.00 -2.24 -1.08 0.00 0.00 178.44 175.91 2br3 h ASP 39 N 0.00 0.00 -0.64 -0.43 2.03 -2.04 -2.95 116.42 112.39 2br3 h ASP 39 Ca 0.00 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.83 2br3 h ASP 39 Cb 0.44 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 38.56 2br3 h ASP 39 CO 0.00 0.00 -0.79 0.54 -1.03 0.00 0.00 179.24 177.96 2br3 n ARG 40 N -2.40 3.27 -0.23 4.15 1.74 -0.96 -4.90 116.66 117.33 2br3 n ARG 40 Ca 0.03 -4.02 0.00 0.00 -0.77 0.00 0.00 57.85 53.09 2br3 n ARG 40 Cb 0.32 -2.16 0.12 0.00 -1.02 0.00 0.00 32.46 29.72 2br3 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br3 h TRP 41 N 2.05 0.58 0.00 -1.55 7.01 -1.53 -2.43 115.95 120.07 2br3 h TRP 41 Ca 0.30 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.27 2br3 h TRP 41 Cb 1.46 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 2br3 h TRP 41 CO 0.82 0.21 -0.28 0.00 -2.79 0.00 0.00 178.44 176.40 2br3 h ALA 42 N 1.41 1.05 0.00 2.65 0.00 -1.90 -2.71 119.26 119.75 2br3 h ALA 42 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2br3 h ALA 42 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2br3 h ALA 42 CO -0.26 0.35 0.00 0.93 0.00 0.00 0.00 179.25 180.27 2br3 h GLU 43 N 0.00 0.00 -6.98 0.00 5.08 -1.84 -3.46 114.58 107.38 2br3 h GLU 43 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2br3 h GLU 43 Cb 0.77 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.16 2br3 h GLU 43 CO 0.04 0.00 0.55 0.00 -1.00 0.00 0.00 179.01 178.59 2br3 n ALA 44 N -1.94 1.44 -1.67 3.43 0.00 -1.03 -4.96 120.51 115.79 2br3 n ALA 44 Ca 0.04 0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 2br3 n ALA 44 Cb 0.41 -2.32 0.04 0.00 0.00 0.00 0.00 19.45 17.58 2br3 n ALA 44 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2br3 s PRO 45 N -2.73 2.84 0.00 0.00 0.02 -1.26 -4.96 135.00 128.90 2br3 s PRO 45 Ca 0.70 1.76 0.21 0.00 0.02 0.00 0.00 61.00 63.69 2br3 s PRO 45 Cb -0.43 -1.92 0.12 0.00 0.02 0.00 0.00 34.50 32.29 2br3 s PRO 45 CO 0.51 -1.30 1.14 0.54 -0.33 0.00 0.00 177.00 177.56 2br3 n ARG 46 N -1.84 1.84 -3.94 5.54 5.12 -1.26 -5.00 116.66 117.12 2br3 n ARG 46 Ca 0.13 -1.57 -0.24 0.00 -1.93 0.00 0.00 57.85 54.24 2br3 n ARG 46 Cb 0.50 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.36 2br3 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br3 s ASP 47 N -1.93 6.33 0.34 0.55 1.47 -1.26 -5.00 116.67 117.17 2br3 s ASP 47 Ca 0.23 0.15 0.11 0.00 1.18 0.00 0.00 52.55 54.22 2br3 s ASP 47 Cb 0.18 -1.90 0.90 0.00 -0.34 0.00 0.00 42.92 41.76 2br3 s ASP 47 CO 0.33 -0.00 1.77 0.25 0.68 0.00 0.00 175.17 178.21 2br3 h LEU 48 N 1.77 0.64 0.00 2.11 5.85 -2.03 -3.46 115.31 120.19 2br3 h LEU 48 Ca -0.50 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2br3 h LEU 48 Cb 1.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2br3 h LEU 48 CO 0.66 0.18 0.00 0.61 -0.34 0.00 0.00 178.44 179.54 2br3 n GLY 49 N -1.38 0.73 3.79 3.75 0.00 -1.26 -5.05 105.19 105.77 2br3 n GLY 49 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 2br3 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br3 s TYR 50 N -2.76 0.01 0.11 1.61 -0.85 -1.26 -4.59 117.35 109.62 2br3 s TYR 50 Ca 0.00 -0.48 -0.34 0.00 -0.52 0.00 0.00 57.07 55.73 2br3 s TYR 50 Cb 0.00 0.61 -0.14 0.00 0.38 0.00 0.00 41.96 42.81 2br3 s TYR 50 CO 0.00 -1.25 1.61 0.45 -1.52 0.00 0.00 175.55 174.85 2br3 n SER 51 N -0.64 3.07 -1.40 -0.18 2.88 -1.26 -4.90 113.62 111.18 2br3 n SER 51 Ca -0.04 1.07 0.07 0.00 -1.33 0.00 0.00 58.87 58.63 2br3 n SER 51 Cb 0.60 -1.40 0.30 0.00 -0.75 0.00 0.00 64.21 62.95 2br3 n SER 51 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2br3 n ASP 52 N 3.90 4.13 0.03 -3.46 5.75 -1.26 -4.66 116.55 120.97 2br3 n ASP 52 Ca 0.18 -2.46 -0.01 0.00 -0.01 0.00 0.00 54.79 52.49 2br3 n ASP 52 Cb 0.28 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 2br3 n ASP 52 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2br3 h PHE 53 N 3.23 -0.07 -1.81 2.11 3.04 -2.06 -3.42 116.94 117.96 2br3 h PHE 53 Ca 0.00 -0.00 -0.48 0.00 3.98 0.00 0.00 57.97 61.46 2br3 h PHE 53 Cb 1.34 0.02 -0.33 0.00 2.56 0.00 0.00 35.95 39.54 2br3 h PHE 53 CO 0.69 -0.04 -0.91 0.45 -2.02 0.00 0.00 178.31 176.48 2br3 n SER 54 N -2.21 -0.91 -2.48 0.41 2.88 -1.26 -4.99 113.62 105.06 2br3 n SER 54 Ca -0.01 -2.65 -0.33 0.00 -1.33 0.00 0.00 58.87 54.55 2br3 n SER 54 Cb 0.03 -0.03 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2br3 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br3 n PRO 55 N 2.24 2.56 -4.52 -1.46 -0.04 -1.26 -4.94 135.00 127.58 2br3 n PRO 55 Ca 0.23 -3.03 -0.30 0.00 -0.04 0.00 0.00 63.50 60.36 2br3 n PRO 55 Cb 0.52 -2.18 -0.12 0.00 -0.04 0.00 0.00 33.50 31.69 2br3 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br3 s TYR 56 N -3.41 2.59 0.06 0.54 1.51 -1.26 -5.01 117.35 112.36 2br3 s TYR 56 Ca 0.56 -0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 56.34 2br3 s TYR 56 Cb 0.44 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.83 2br3 s TYR 56 CO -0.16 0.31 0.05 1.14 -1.11 0.00 0.00 175.55 175.78 2br3 s GLN 57 N -1.68 0.66 -0.21 -0.62 -2.07 -1.26 -0.69 119.66 113.79 2br3 s GLN 57 Ca 0.16 -1.05 0.00 0.00 -1.82 0.00 0.00 55.36 52.65 2br3 s GLN 57 Cb -0.11 0.25 0.05 0.00 -1.09 0.00 0.00 33.01 32.11 2br3 s GLN 57 CO 0.07 -0.16 -0.06 -0.46 -1.32 0.00 0.00 175.29 173.37 2br3 s TRP 58 N -3.62 2.12 -1.36 9.60 -0.11 -0.30 -4.82 118.94 120.44 2br3 s TRP 58 Ca 0.04 -1.49 -0.00 0.00 1.22 0.00 0.00 56.10 55.87 2br3 s TRP 58 Cb 0.05 -1.48 -0.00 0.00 -1.50 0.00 0.00 33.47 30.54 2br3 s TRP 58 CO -0.09 -0.72 0.52 0.54 -4.62 0.00 0.00 176.95 172.58 2br3 n ARG 59 N 4.75 -3.81 -1.17 5.86 1.74 -1.26 -1.63 116.66 121.14 2br3 n ARG 59 Ca -0.12 0.48 -0.06 0.00 -0.77 0.00 0.00 57.85 57.38 2br3 n ARG 59 Cb 0.46 -4.75 -0.03 0.00 -1.02 0.00 0.00 32.46 27.12 2br3 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br3 n GLY 60 N -1.83 0.84 3.42 -0.13 0.00 -1.26 -5.03 105.19 101.20 2br3 n GLY 60 Ca -0.30 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 2br3 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br3 s LEU 61 N -1.36 2.47 0.34 0.99 1.43 -0.65 -4.41 118.68 117.50 2br3 s LEU 61 Ca 0.00 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 2br3 s LEU 61 Cb 0.00 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.70 2br3 s LEU 61 CO 0.00 0.24 1.12 -0.13 0.23 0.00 0.00 176.35 177.81 2br3 s ARG 62 N -1.50 4.36 -0.25 1.70 0.52 -1.26 -1.16 118.95 121.37 2br3 s ARG 62 Ca 0.14 1.78 -0.01 0.00 -0.52 0.00 0.00 55.73 57.12 2br3 s ARG 62 Cb -0.10 -2.90 0.03 0.00 0.52 0.00 0.00 34.95 32.50 2br3 s ARG 62 CO 0.05 -0.03 -0.07 -1.64 0.02 0.00 0.00 175.30 173.63 2br3 s MET 63 N -1.93 2.74 0.32 3.54 -1.94 0.13 -4.00 119.30 118.16 2br3 s MET 63 Ca 0.51 -1.04 0.26 0.00 -1.71 0.00 0.00 55.69 53.71 2br3 s MET 63 Cb -0.30 -2.96 0.86 0.00 2.01 0.00 0.00 34.83 34.44 2br3 s MET 63 CO 0.38 -0.43 1.76 -0.07 -0.01 0.00 0.00 175.02 176.65 2br3 h LEU 64 N 7.98 0.00 -9.01 -0.03 3.38 -1.95 -3.39 115.31 112.29 2br3 h LEU 64 Ca -0.31 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.06 2br3 h LEU 64 Cb 1.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 2br3 h LEU 64 CO 0.56 0.00 0.24 -0.54 0.09 0.00 0.00 178.44 178.79 2br3 s LYS 65 N -3.27 4.13 0.86 1.13 1.02 -1.26 -5.06 119.74 117.29 2br3 s LYS 65 Ca 0.07 0.65 -0.13 0.00 0.02 0.00 0.00 55.97 56.58 2br3 s LYS 65 Cb 0.10 -3.65 0.11 0.00 -0.52 0.00 0.00 37.83 33.87 2br3 s LYS 65 CO 0.54 -0.43 1.18 0.16 -0.92 0.00 0.00 175.35 175.88 2br3 s ASP 66 N 1.43 4.05 0.45 2.83 1.47 -1.26 -4.74 116.67 120.90 2br3 s ASP 66 Ca 0.28 0.79 0.11 0.00 1.18 0.00 0.00 52.55 54.91 2br3 s ASP 66 Cb -0.15 -1.26 1.02 0.00 -0.34 0.00 0.00 42.92 42.18 2br3 s ASP 66 CO 0.08 -2.19 2.08 -0.65 0.68 0.00 0.00 175.17 175.17 2br3 h PRO 67 N -1.25 0.35 -0.33 2.11 0.11 -1.97 -1.18 132.00 129.82 2br3 h PRO 67 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2br3 h PRO 67 Cb 1.32 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2br3 h PRO 67 CO 0.62 0.23 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.18 2br3 h ASP 68 N 0.36 0.59 -0.32 -2.05 3.45 -1.95 -1.66 116.42 114.84 2br3 h ASP 68 Ca 0.12 -0.32 -0.07 0.00 0.43 0.00 0.00 57.03 57.18 2br3 h ASP 68 Cb 0.03 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 2br3 h ASP 68 CO -0.03 0.76 -0.04 0.74 -1.57 0.00 0.00 179.24 179.11 2br3 h THR 69 N 0.39 1.24 -0.80 0.35 2.02 -1.72 -2.26 112.91 112.13 2br3 h THR 69 Ca 0.09 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 2br3 h THR 69 Cb 0.47 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 2br3 h THR 69 CO 0.02 0.34 0.35 1.56 0.37 0.00 0.00 175.52 178.17 2br3 h GLN 70 N 0.65 1.17 -0.60 6.66 4.20 -1.07 -1.76 115.11 124.36 2br3 h GLN 70 Ca 0.13 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2br3 h GLN 70 Cb 0.46 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2br3 h GLN 70 CO 0.02 0.92 0.27 0.00 -0.67 0.00 0.00 178.83 179.37 2br3 h ALA 71 N 1.19 0.77 -0.23 3.87 0.00 -0.74 0.72 119.26 124.85 2br3 h ALA 71 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2br3 h ALA 71 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2br3 h ALA 71 CO -0.03 0.36 0.12 0.28 0.00 0.00 0.00 179.25 179.98 2br3 h VAL 72 N 0.82 1.12 -0.01 0.00 2.07 -1.25 -2.59 116.25 116.42 2br3 h VAL 72 Ca 0.20 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2br3 h VAL 72 Cb 0.16 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2br3 h VAL 72 CO -0.02 0.12 -0.29 1.88 0.02 0.00 0.00 177.57 179.28 2br3 h TYR 73 N 0.26 0.01 -0.82 1.57 -1.99 -1.02 -1.42 116.97 113.56 2br3 h TYR 73 Ca 0.08 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.77 2br3 h TYR 73 Cb 0.08 -0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.77 2br3 h TYR 73 CO -0.03 0.30 0.36 1.25 -0.00 0.00 0.00 178.16 180.03 2br3 h HIS 74 N 0.01 1.23 -0.04 4.88 2.76 -0.51 -1.35 115.15 122.13 2br3 h HIS 74 Ca -0.00 -0.08 -0.23 0.00 -2.20 0.00 0.00 60.37 57.86 2br3 h HIS 74 Cb 0.51 -0.37 0.02 0.00 1.55 0.00 0.00 27.41 29.12 2br3 h HIS 74 CO 0.00 0.91 -0.86 -0.44 -1.30 0.00 0.00 177.93 176.24 2br3 h ASP 75 N 1.19 0.83 -0.26 3.26 3.32 -1.09 -2.61 116.42 121.06 2br3 h ASP 75 Ca 0.28 -0.71 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 2br3 h ASP 75 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2br3 h ASP 75 CO -0.03 1.42 0.10 -0.03 -1.72 0.00 0.00 179.24 178.98 2br3 h MET 76 N 0.31 0.47 -0.04 3.56 4.05 -1.15 -1.05 114.93 121.08 2br3 h MET 76 Ca -0.10 -0.07 -0.22 0.00 -0.28 0.00 0.00 59.70 59.04 2br3 h MET 76 Cb 1.52 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.24 2br3 h MET 76 CO 0.17 0.43 -0.88 -0.07 0.23 0.00 0.00 176.91 176.79 2br3 h LEU 77 N 0.47 0.65 -1.04 3.39 4.07 -1.26 -1.58 115.31 120.01 2br3 h LEU 77 Ca 0.11 -0.48 -0.09 0.00 0.08 0.00 0.00 57.88 57.50 2br3 h LEU 77 Cb 0.16 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2br3 h LEU 77 CO -0.01 1.27 -0.32 -0.25 -1.08 0.00 0.00 178.44 178.05 2br3 h TRP 78 N 0.32 0.32 0.00 1.13 2.91 -0.99 -0.02 115.95 119.62 2br3 h TRP 78 Ca -0.07 -0.07 -0.08 0.00 1.13 0.00 0.00 58.89 59.80 2br3 h TRP 78 Cb 1.51 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 30.07 2br3 h TRP 78 CO 0.07 0.58 -0.49 1.49 -1.03 0.00 0.00 178.44 179.06 2br3 h GLU 79 N 0.25 0.00 -0.01 2.65 4.81 -1.23 -3.39 114.58 117.67 2br3 h GLU 79 Ca 0.03 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.03 2br3 h GLU 79 Cb 0.69 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.08 2br3 h GLU 79 CO 0.05 0.71 -0.95 1.25 -0.73 0.00 0.00 179.01 179.34 2br3 h LEU 80 N -1.00 0.60 -2.91 1.64 7.12 -1.36 -3.48 115.31 115.91 2br3 h LEU 80 Ca -0.12 -0.48 -0.27 0.00 0.13 0.00 0.00 57.88 57.15 2br3 h LEU 80 Cb 0.87 -0.18 0.06 0.00 -0.53 0.00 0.00 40.66 40.88 2br3 h LEU 80 CO -0.07 1.28 -0.63 0.54 -0.13 0.00 0.00 178.44 179.42 2br3 n ARG 81 N -3.77 -1.46 -1.99 1.25 1.74 -0.02 -4.83 116.66 107.57 2br3 n ARG 81 Ca -0.07 0.94 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 2br3 n ARG 81 Cb 0.84 -4.60 -0.02 0.00 -1.02 0.00 0.00 32.46 27.66 2br3 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br3 s PRO 82 N -4.52 4.25 0.29 5.56 0.04 -1.26 -4.61 135.00 134.75 2br3 s PRO 82 Ca 0.22 2.34 0.19 0.00 0.04 0.00 0.00 61.00 63.79 2br3 s PRO 82 Cb -0.06 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.51 2br3 s PRO 82 CO 0.81 -0.41 1.35 -0.09 0.04 0.00 0.00 177.00 178.71 2br3 h ARG 83 N 4.47 0.00 -3.50 4.56 9.65 -1.40 -3.39 114.38 124.78 2br3 h ARG 83 Ca -0.47 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.18 2br3 h ARG 83 Cb 1.22 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.51 2br3 h ARG 83 CO 0.74 0.26 -0.64 0.99 2.80 0.00 0.00 179.97 184.11 2br3 s THR 84 N -3.08 -0.02 -0.17 0.20 2.01 -0.98 -0.91 115.64 112.70 2br3 s THR 84 Ca 0.03 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2br3 s THR 84 Cb 0.07 -0.13 0.04 0.00 0.01 0.00 0.00 72.50 72.49 2br3 s THR 84 CO 0.74 0.02 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.97 2br3 s ILE 85 N 0.37 1.40 -0.26 1.82 1.01 -0.79 -1.44 121.20 123.31 2br3 s ILE 85 Ca -0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 2br3 s ILE 85 Cb -0.04 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2br3 s ILE 85 CO -0.01 0.24 0.12 -0.69 0.00 0.00 0.00 174.94 174.59 2br3 s VAL 86 N 1.52 4.73 -0.37 2.92 1.01 0.43 -0.60 120.40 130.04 2br3 s VAL 86 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2br3 s VAL 86 Cb -0.15 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.07 2br3 s VAL 86 CO -0.09 0.31 0.14 -0.70 0.00 0.00 0.00 175.10 174.77 2br3 s GLU 87 N 1.61 2.44 -0.33 2.72 2.12 0.17 -0.50 118.70 126.94 2br3 s GLU 87 Ca 0.06 -1.41 -0.29 0.00 0.36 0.00 0.00 54.97 53.70 2br3 s GLU 87 Cb -0.15 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2br3 s GLU 87 CO 0.06 -0.82 1.17 -1.17 -0.54 0.00 0.00 175.26 173.97 2br3 s LEU 88 N 1.32 3.88 0.00 2.70 0.20 0.41 -1.84 118.68 125.35 2br3 s LEU 88 Ca 0.01 1.05 0.00 0.00 0.69 0.00 0.00 54.13 55.88 2br3 s LEU 88 Cb -0.21 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2br3 s LEU 88 CO 0.00 -1.00 0.00 0.61 -0.29 0.00 0.00 176.35 175.67 2br3 n GLY 89 N 4.16 0.92 0.94 7.98 0.00 0.74 -0.19 105.19 119.73 2br3 n GLY 89 Ca 0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 2br3 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br3 n VAL 90 N 2.53 0.18 0.00 1.61 0.31 -1.24 -4.76 118.33 116.96 2br3 n VAL 90 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2br3 n VAL 90 Cb 0.00 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2br3 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br3 n TYR 91 N -3.12 0.00 1.23 3.52 9.36 -1.26 -2.85 117.16 124.03 2br3 n TYR 91 Ca -0.04 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.31 2br3 n TYR 91 Cb 0.51 0.00 0.41 0.00 -0.63 0.00 0.00 39.34 39.62 2br3 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br3 n ASN 92 N 7.75 0.83 -0.01 2.98 6.94 -1.26 -2.69 115.26 129.80 2br3 n ASN 92 Ca 0.00 -0.71 -0.00 0.00 -0.02 0.00 0.00 54.58 53.85 2br3 n ASN 92 Cb 0.00 0.10 -0.00 0.00 -2.36 0.00 0.00 39.78 37.52 2br3 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br3 n GLY 93 N 1.36 0.48 0.34 4.83 0.00 -1.13 -0.97 105.19 110.09 2br3 n GLY 93 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2br3 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br3 h GLY 94 N 0.00 1.27 2.00 -0.02 0.00 -1.84 -2.14 103.07 102.34 2br3 h GLY 94 Ca -0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.50 2br3 h GLY 94 CO 0.00 0.69 -0.44 1.48 0.00 0.00 0.00 176.54 178.27 2br3 h SER 95 N 1.14 0.00 0.13 0.19 4.64 -1.91 -2.05 113.55 115.69 2br3 h SER 95 Ca 0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2br3 h SER 95 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2br3 h SER 95 CO -0.01 0.44 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.24 2br3 h LEU 96 N 0.00 -0.20 -0.09 5.97 4.07 -1.89 -0.33 115.31 122.84 2br3 h LEU 96 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2br3 h LEU 96 Cb 1.30 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 2br3 h LEU 96 CO 0.06 -0.13 0.05 0.00 -1.08 0.00 0.00 178.44 177.34 2br3 h ALA 97 N 0.66 0.12 -0.75 1.53 0.00 -1.33 -2.05 119.26 117.44 2br3 h ALA 97 Ca -0.01 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.02 2br3 h ALA 97 Cb 0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 2br3 h ALA 97 CO 0.02 -0.34 0.13 2.35 0.00 0.00 0.00 179.25 181.40 2br3 h TRP 98 N 0.06 0.18 -0.29 0.00 7.01 -1.32 0.33 115.95 121.92 2br3 h TRP 98 Ca 0.03 0.05 -0.12 0.00 2.11 0.00 0.00 58.89 60.96 2br3 h TRP 98 Cb 0.08 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 2br3 h TRP 98 CO -0.04 -0.14 -0.28 0.74 -2.79 0.00 0.00 178.44 175.92 2br3 h PHE 99 N 0.21 0.85 -0.43 2.65 0.05 -0.70 -0.40 116.94 119.17 2br3 h PHE 99 Ca 0.42 -0.25 -0.06 0.00 3.82 0.00 0.00 57.97 61.90 2br3 h PHE 99 Cb 0.75 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 38.50 2br3 h PHE 99 CO -0.31 1.00 0.04 -0.09 -0.18 0.00 0.00 178.31 178.77 2br3 h ARG 100 N 0.46 0.74 -0.28 1.51 1.12 -1.02 -1.98 114.38 114.92 2br3 h ARG 100 Ca 0.05 -0.22 -0.04 0.00 -1.11 0.00 0.00 59.98 58.66 2br3 h ARG 100 Cb 0.85 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.72 2br3 h ARG 100 CO 0.07 0.79 0.04 -0.44 -3.11 0.00 0.00 179.97 177.32 2br3 h ASP 101 N 0.59 0.46 -0.56 -3.80 3.32 -0.17 -1.38 116.42 114.88 2br3 h ASP 101 Ca 0.13 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 2br3 h ASP 101 Cb 0.43 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2br3 h ASP 101 CO 0.02 0.62 0.01 0.25 -1.72 0.00 0.00 179.24 178.41 2br3 h LEU 102 N 0.29 0.97 -0.71 1.55 5.85 -1.09 -1.65 115.31 120.52 2br3 h LEU 102 Ca 0.09 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 2br3 h LEU 102 Cb 0.36 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2br3 h LEU 102 CO 0.01 1.03 -0.22 0.71 -0.34 0.00 0.00 178.44 179.63 2br3 h THR 103 N 0.87 1.27 -0.69 1.05 1.35 -1.32 -2.11 112.91 113.33 2br3 h THR 103 Ca 0.16 -1.33 0.01 0.00 -0.55 0.00 0.00 66.41 64.71 2br3 h THR 103 Cb 0.53 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 2br3 h THR 103 CO 0.03 0.44 0.45 0.50 -0.25 0.00 0.00 175.52 176.69 2br3 h LYS 104 N 0.66 0.89 0.00 4.72 3.11 -1.01 -0.27 116.57 124.67 2br3 h LYS 104 Ca 0.09 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.80 2br3 h LYS 104 Cb 0.73 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 2br3 h LYS 104 CO 0.06 0.59 -0.40 0.82 -2.81 0.00 0.00 179.45 177.71 2br3 h ILE 105 N 0.92 1.04 -0.01 2.00 2.04 -1.01 -2.48 117.51 120.01 2br3 h ILE 105 Ca 0.26 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2br3 h ILE 105 Cb -0.07 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2br3 h ILE 105 CO -0.07 0.39 -0.02 0.23 0.00 0.00 0.00 178.15 178.68 2br3 n MET 106 N -3.71 1.44 -1.15 2.37 2.81 -0.82 -4.92 117.12 113.14 2br3 n MET 106 Ca -0.01 -0.71 -0.05 0.00 -1.81 0.00 0.00 57.70 55.12 2br3 n MET 106 Cb 0.48 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.48 2br3 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br3 n GLY 107 N 1.15 0.77 3.72 3.03 0.00 -0.93 -5.01 105.19 107.92 2br3 n GLY 107 Ca 0.19 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 2br3 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br3 s ILE 108 N -2.13 5.07 -0.96 -0.61 1.01 -0.14 -5.02 121.20 118.42 2br3 s ILE 108 Ca 0.00 1.29 -0.20 0.00 0.00 0.00 0.00 60.65 61.75 2br3 s ILE 108 Cb 0.00 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.61 2br3 s ILE 108 CO 0.00 0.29 1.22 -0.62 0.00 0.00 0.00 174.94 175.83 2br3 s ASP 109 N 0.63 6.60 0.00 3.58 2.15 -1.26 -4.21 116.67 124.16 2br3 s ASP 109 Ca 0.34 -1.90 0.07 0.00 0.43 0.00 0.00 52.55 51.48 2br3 s ASP 109 Cb -0.17 -2.44 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 2br3 s ASP 109 CO 0.16 -1.18 -0.21 0.00 -0.17 0.00 0.00 175.17 173.77 2br3 s GLN 111 N -0.70 3.17 -0.23 0.00 -1.52 -0.08 -4.93 119.66 115.37 2br3 s GLN 111 Ca 0.08 -0.82 -0.20 0.00 -1.95 0.00 0.00 55.36 52.47 2br3 s GLN 111 Cb -0.08 -3.47 -0.02 0.00 -0.22 0.00 0.00 33.01 29.21 2br3 s GLN 111 CO -0.00 -0.45 0.61 0.08 -0.25 0.00 0.00 175.29 175.28 2br3 s VAL 112 N 1.55 5.02 -0.09 1.09 1.01 -0.66 -1.88 120.40 126.44 2br3 s VAL 112 Ca 0.03 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.15 2br3 s VAL 112 Cb -0.17 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2br3 s VAL 112 CO 0.04 0.08 -0.16 -0.63 0.00 0.00 0.00 175.10 174.44 2br3 s ILE 113 N 2.15 2.85 -0.11 2.22 1.01 0.23 -1.87 121.20 127.68 2br3 s ILE 113 Ca 0.26 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.17 2br3 s ILE 113 Cb -0.16 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.18 2br3 s ILE 113 CO 0.09 0.56 -0.19 -0.83 0.00 0.00 0.00 174.94 174.57 2br3 s GLY 114 N -0.13 1.16 -0.11 6.18 0.00 -0.79 -0.66 107.32 112.97 2br3 s GLY 114 Ca -0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 2br3 s GLY 114 CO 0.04 0.02 -0.07 -0.42 0.00 0.00 0.00 173.10 172.67 2br3 s ILE 115 N 0.75 3.68 0.16 0.90 1.01 -0.76 -1.49 121.20 125.46 2br3 s ILE 115 Ca -0.11 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 2br3 s ILE 115 Cb -0.16 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.82 2br3 s ILE 115 CO 0.01 0.55 0.57 -0.62 0.00 0.00 0.00 174.94 175.46 2br3 s ASP 116 N -0.27 -0.49 0.06 3.58 -1.08 -1.07 -0.19 116.67 117.21 2br3 s ASP 116 Ca 0.04 -0.10 -0.20 0.00 -0.52 0.00 0.00 52.55 51.77 2br3 s ASP 116 Cb -0.13 0.58 -0.12 0.00 -1.46 0.00 0.00 42.92 41.80 2br3 s ASP 116 CO 0.02 -0.97 1.42 -0.09 0.52 0.00 0.00 175.17 176.07 2br3 h ARG 117 N 2.07 0.38 -4.63 4.34 2.43 -1.85 -2.10 114.38 115.01 2br3 h ARG 117 Ca -0.33 -0.16 -0.66 0.00 -0.81 0.00 0.00 59.98 58.02 2br3 h ARG 117 Cb 1.30 -0.01 -0.40 0.00 -0.42 0.00 0.00 29.97 30.43 2br3 h ARG 117 CO 0.39 0.67 -0.71 0.34 -1.51 0.00 0.00 179.97 179.15 2br3 s ASP 118 N -6.02 4.76 -0.11 -3.80 2.15 -1.26 -4.73 116.67 107.66 2br3 s ASP 118 Ca -0.14 -2.19 0.16 0.00 0.43 0.00 0.00 52.55 50.81 2br3 s ASP 118 Cb 0.06 -1.64 0.65 0.00 -0.30 0.00 0.00 42.92 41.70 2br3 s ASP 118 CO 0.75 -0.38 1.54 0.18 -0.17 0.00 0.00 175.17 177.09 2br3 n LEU 119 N 4.21 4.36 0.13 -1.34 4.77 -1.26 -4.40 117.00 123.47 2br3 n LEU 119 Ca 0.04 -2.20 -0.01 0.00 -0.03 0.00 0.00 56.01 53.81 2br3 n LEU 119 Cb 0.42 -0.56 0.20 0.00 -2.33 0.00 0.00 43.42 41.15 2br3 n LEU 119 CO 0.23 0.72 0.54 0.77 -1.33 0.00 0.00 177.39 178.32 2br3 h SER 120 N 3.64 0.06 1.21 -1.43 4.64 -1.93 -3.06 113.55 116.69 2br3 h SER 120 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2br3 h SER 120 Cb 1.36 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2br3 h SER 120 CO 0.23 0.61 0.00 0.03 -0.87 0.00 0.00 176.83 176.82 2br3 h ARG 121 N 0.04 0.00 -6.42 4.77 -0.00 -1.77 -3.46 114.38 107.54 2br3 h ARG 121 Ca -0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.98 58.85 2br3 h ARG 121 Cb 1.00 0.00 0.07 0.00 0.00 0.00 0.00 29.97 31.04 2br3 h ARG 121 CO 0.08 0.00 0.54 0.00 0.00 0.00 0.00 179.97 180.58 2br3 n GLN 123 N 2.45 1.12 -2.40 0.00 1.13 -0.14 -4.97 117.38 114.56 2br3 n GLN 123 Ca 0.16 -1.39 -0.43 0.00 -1.94 0.00 0.00 57.00 53.40 2br3 n GLN 123 Cb 0.26 -1.24 -0.02 0.00 0.11 0.00 0.00 30.24 29.34 2br3 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br3 s ILE 124 N -0.99 4.19 0.41 5.09 1.01 -1.26 -4.99 121.20 124.67 2br3 s ILE 124 Ca 0.16 1.49 -0.25 0.00 0.00 0.00 0.00 60.65 62.05 2br3 s ILE 124 Cb 0.11 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.51 2br3 s ILE 124 CO 0.15 -0.06 1.14 -2.65 0.00 0.00 0.00 174.94 173.52 2br3 n PRO 125 N 5.93 1.63 -0.24 2.79 -0.02 -1.26 -4.88 135.00 138.94 2br3 n PRO 125 Ca 0.13 0.58 0.17 0.00 -2.02 0.00 0.00 63.50 62.36 2br3 n PRO 125 Cb 0.45 -2.19 0.47 0.00 -0.02 0.00 0.00 33.50 32.21 2br3 n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2br3 h ALA 126 N 1.84 2.08 -0.35 3.55 0.00 -2.01 -2.15 119.26 122.22 2br3 h ALA 126 Ca -0.46 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2br3 h ALA 126 Cb 1.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2br3 h ALA 126 CO 0.59 -0.35 -0.32 0.66 0.00 0.00 0.00 179.25 179.82 2br3 h SER 127 N 0.49 0.81 -1.51 0.00 4.64 -2.03 -3.31 113.55 112.63 2br3 h SER 127 Ca 0.46 -0.33 -0.64 0.00 -0.47 0.00 0.00 61.79 60.80 2br3 h SER 127 Cb 1.01 -0.22 -0.22 0.00 -0.31 0.00 0.00 62.40 62.66 2br3 h SER 127 CO -0.19 1.06 0.82 -0.67 -0.87 0.00 0.00 176.83 176.99 2br3 n ASP 128 N -4.07 7.05 -0.02 4.97 2.03 -0.81 -4.51 116.55 121.18 2br3 n ASP 128 Ca -0.01 -3.48 0.02 0.00 0.52 0.00 0.00 54.79 51.84 2br3 n ASP 128 Cb 0.49 -1.17 0.03 0.00 -0.72 0.00 0.00 41.12 39.75 2br3 n ASP 128 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2br3 n MET 129 N 0.31 2.42 -1.72 -0.67 1.56 -1.25 -4.79 117.12 112.98 2br3 n MET 129 Ca 0.52 -1.63 -0.42 0.00 -0.27 0.00 0.00 57.70 55.89 2br3 n MET 129 Cb 0.39 -1.05 -0.01 0.00 2.15 0.00 0.00 33.22 34.69 2br3 n MET 129 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2br3 n GLU 130 N -0.64 2.46 -2.79 2.12 2.13 -1.26 -2.02 120.64 120.63 2br3 n GLU 130 Ca 0.03 0.87 -0.20 0.00 0.66 0.00 0.00 57.16 58.52 2br3 n GLU 130 Cb 0.35 -2.59 0.01 0.00 0.27 0.00 0.00 31.44 29.48 2br3 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2br3 n ASN 131 N 1.71 -5.08 -3.73 4.31 3.02 -1.26 -4.98 115.26 109.24 2br3 n ASN 131 Ca 0.08 -0.12 -0.21 0.00 -0.03 0.00 0.00 54.58 54.29 2br3 n ASN 131 Cb 0.36 -4.20 -0.18 0.00 -0.61 0.00 0.00 39.78 35.15 2br3 n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2br3 s ILE 132 N -2.96 0.16 -0.16 2.41 1.01 -0.86 -1.66 121.20 119.14 2br3 s ILE 132 Ca 0.17 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2br3 s ILE 132 Cb -0.08 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2br3 s ILE 132 CO 0.21 0.22 -0.18 -0.89 0.00 0.00 0.00 174.94 174.30 2br3 s THR 133 N 2.02 2.30 -0.21 2.92 2.01 -0.78 -4.99 115.64 118.92 2br3 s THR 133 Ca 0.04 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 2br3 s THR 133 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2br3 s THR 133 CO -0.04 0.53 0.50 -0.76 -0.69 0.00 0.00 174.62 174.15 2br3 s LEU 134 N 1.01 4.14 -0.09 4.42 1.02 -1.26 -1.89 118.68 126.02 2br3 s LEU 134 Ca -0.02 0.63 -0.04 0.00 0.02 0.00 0.00 54.13 54.72 2br3 s LEU 134 Cb -0.15 -2.67 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 2br3 s LEU 134 CO -0.05 -0.17 0.07 -1.00 0.02 0.00 0.00 176.35 175.22 2br3 s HIS 135 N 1.64 3.35 0.48 0.29 3.76 -0.55 -5.00 115.29 119.27 2br3 s HIS 135 Ca 0.23 0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 55.25 2br3 s HIS 135 Cb -0.15 -1.84 -0.07 0.00 1.11 0.00 0.00 32.58 31.62 2br3 s HIS 135 CO 0.09 0.59 1.12 -1.14 -0.85 0.00 0.00 174.74 174.55 2br3 s GLN 136 N -1.05 3.69 -0.12 1.40 2.00 -1.26 -2.60 119.66 121.73 2br3 s GLN 136 Ca 0.15 1.62 -0.30 0.00 -2.00 0.00 0.00 55.36 54.83 2br3 s GLN 136 Cb -0.12 -2.25 0.11 0.00 0.80 0.00 0.00 33.01 31.55 2br3 s GLN 136 CO 0.04 -0.57 0.88 0.20 -0.50 0.00 0.00 175.29 175.35 2br3 s GLY 137 N -1.61 -0.38 -0.13 2.59 0.00 -0.79 -4.80 107.32 102.19 2br3 s GLY 137 Ca 0.66 1.76 0.01 0.00 0.00 0.00 0.00 44.72 47.15 2br3 s GLY 137 CO 0.29 0.99 -0.16 -0.35 0.00 0.00 0.00 173.10 173.87 2br3 s ASP 138 N -1.17 2.68 0.17 1.64 3.68 -1.26 -2.91 116.67 119.50 2br3 s ASP 138 Ca -0.05 -0.49 0.20 0.00 2.13 0.00 0.00 52.55 54.34 2br3 s ASP 138 Cb -0.00 -1.20 0.84 0.00 -1.45 0.00 0.00 42.92 41.11 2br3 s ASP 138 CO 0.04 0.00 1.61 0.00 0.13 0.00 0.00 175.17 176.95 2br3 h SER 140 N 0.00 0.70 -3.44 0.00 0.87 -1.95 -3.44 113.55 106.29 2br3 h SER 140 Ca 0.00 -0.93 -0.60 0.00 -1.23 0.00 0.00 61.79 59.03 2br3 h SER 140 Cb 0.29 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 61.92 2br3 h SER 140 CO 0.00 1.59 -0.11 -0.62 -0.53 0.00 0.00 176.83 177.16 2br3 s ASP 141 N -7.34 6.54 0.00 6.23 2.15 -1.08 -4.99 116.67 118.17 2br3 s ASP 141 Ca -0.11 0.64 0.25 0.00 0.43 0.00 0.00 52.55 53.77 2br3 s ASP 141 Cb 0.03 -2.27 0.54 0.00 -0.30 0.00 0.00 42.92 40.92 2br3 s ASP 141 CO 0.90 -0.11 1.43 0.18 -0.17 0.00 0.00 175.17 177.40 2br3 n LEU 142 N 4.48 1.22 0.00 -1.34 4.32 -1.26 -3.29 117.00 121.13 2br3 n LEU 142 Ca -0.06 -0.37 0.14 0.00 -0.02 0.00 0.00 56.01 55.70 2br3 n LEU 142 Cb 0.51 -0.10 0.80 0.00 -1.62 0.00 0.00 43.42 43.01 2br3 n LEU 142 CO 0.41 0.23 1.02 0.35 -1.22 0.00 0.00 177.39 178.18 2br3 n THR 143 N -0.59 0.04 0.13 -5.08 -2.24 -1.26 -2.67 114.28 102.61 2br3 n THR 143 Ca 0.11 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.92 2br3 n THR 143 Cb 0.37 -0.55 0.40 0.00 -2.10 0.00 0.00 70.33 68.46 2br3 n THR 143 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2br3 h THR 144 N 0.00 1.18 0.00 4.28 2.02 -1.86 -1.27 112.91 117.26 2br3 h THR 144 Ca 0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2br3 h THR 144 Cb 0.12 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2br3 h THR 144 CO 0.00 0.24 -1.92 0.49 0.37 0.00 0.00 175.52 174.71 2br3 n PHE 145 N -4.27 0.07 1.82 3.16 3.01 -1.09 -3.35 117.46 116.81 2br3 n PHE 145 Ca -0.01 0.02 0.15 0.00 1.01 0.00 0.00 57.45 58.62 2br3 n PHE 145 Cb 0.27 -0.53 0.79 0.00 -0.01 0.00 0.00 39.48 40.00 2br3 n PHE 145 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2br3 n GLU 146 N -2.29 1.24 -0.07 -1.08 1.02 -1.17 -2.38 120.64 115.92 2br3 n GLU 146 Ca -0.04 -0.34 -0.00 0.00 -0.02 0.00 0.00 57.16 56.76 2br3 n GLU 146 Cb 0.57 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.52 2br3 n GLU 146 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2br3 n HIS 147 N -0.58 0.17 -2.70 -0.32 8.25 -0.48 -4.85 115.22 114.71 2br3 n HIS 147 Ca 0.22 -0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2br3 n HIS 147 Cb 0.20 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 2br3 n HIS 147 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2br3 s LEU 148 N -0.20 4.23 0.39 2.41 1.98 -1.00 -5.03 118.68 121.46 2br3 s LEU 148 Ca 0.04 1.50 -0.26 0.00 -2.89 0.00 0.00 54.13 52.52 2br3 s LEU 148 Cb 0.03 -3.54 -0.09 0.00 0.66 0.00 0.00 46.19 43.26 2br3 s LEU 148 CO 0.01 -0.46 1.25 -0.13 -1.89 0.00 0.00 176.35 175.13 2br3 s ARG 149 N 2.09 4.06 -0.40 1.98 1.81 -1.26 -4.94 118.95 122.28 2br3 s ARG 149 Ca 0.47 2.04 -0.29 0.00 -1.72 0.00 0.00 55.73 56.23 2br3 s ARG 149 Cb -0.18 -2.77 0.02 0.00 -0.45 0.00 0.00 34.95 31.56 2br3 s ARG 149 CO 0.17 -0.38 1.27 -1.21 -0.68 0.00 0.00 175.30 174.47 2br3 s GLU 150 N -2.19 3.74 0.66 3.54 0.41 -1.26 -4.97 118.70 118.62 2br3 s GLU 150 Ca 0.56 0.88 -0.05 0.00 -0.41 0.00 0.00 54.97 55.95 2br3 s GLU 150 Cb -0.35 -3.93 0.05 0.00 -1.78 0.00 0.00 34.13 28.11 2br3 s GLU 150 CO 0.45 -1.36 0.95 -1.64 -0.49 0.00 0.00 175.26 173.17 2br3 s MET 151 N 4.51 2.37 0.61 1.61 -1.94 -1.26 -5.08 119.30 120.12 2br3 s MET 151 Ca 0.54 -0.33 -0.08 0.00 -1.71 0.00 0.00 55.69 54.11 2br3 s MET 151 Cb -0.12 -2.25 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 2br3 s MET 151 CO 0.29 -1.05 0.96 0.00 -0.01 0.00 0.00 175.02 175.21 2br3 s ALA 152 N -3.11 3.16 0.32 3.03 0.00 -1.26 -5.07 121.76 118.83 2br3 s ALA 152 Ca 0.59 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 52.21 2br3 s ALA 152 Cb -0.11 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 2br3 s ALA 152 CO 0.43 -0.79 -0.10 -1.01 0.00 0.00 0.00 175.76 174.30 2br3 s HIS 153 N -3.09 2.42 1.07 0.00 3.76 -1.26 -3.91 115.29 114.28 2br3 s HIS 153 Ca 0.54 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.90 2br3 s HIS 153 Cb -0.11 -1.30 0.23 0.00 1.11 0.00 0.00 32.58 32.52 2br3 s HIS 153 CO 0.49 0.60 1.06 -1.25 -0.85 0.00 0.00 174.74 174.79 2br3 s PRO 154 N -3.61 -0.16 -0.02 8.40 0.04 -1.26 -4.43 135.00 133.96 2br3 s PRO 154 Ca 0.32 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2br3 s PRO 154 Cb -0.00 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.92 2br3 s PRO 154 CO 0.17 -3.22 0.02 -1.17 0.04 0.00 0.00 177.00 172.85 2br3 s LEU 155 N -6.87 1.13 -0.21 -3.56 0.20 -1.26 -1.27 118.68 106.85 2br3 s LEU 155 Ca 0.67 0.03 -0.07 0.00 0.69 0.00 0.00 54.13 55.44 2br3 s LEU 155 Cb -0.22 -0.09 -0.04 0.00 -0.43 0.00 0.00 46.19 45.41 2br3 s LEU 155 CO 0.61 -0.12 0.07 -0.63 -0.29 0.00 0.00 176.35 175.99 2br3 s ILE 156 N 1.01 4.58 -0.23 6.68 1.01 -0.52 -2.28 121.20 131.44 2br3 s ILE 156 Ca -0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 2br3 s ILE 156 Cb -0.12 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2br3 s ILE 156 CO -0.03 0.40 -0.03 0.12 0.00 0.00 0.00 174.94 175.41 2br3 s PHE 157 N 0.91 3.00 -0.11 3.97 5.36 -0.45 -0.43 117.98 130.24 2br3 s PHE 157 Ca 0.04 -1.06 0.03 0.00 -0.96 0.00 0.00 56.93 54.97 2br3 s PHE 157 Cb -0.14 -2.11 -0.00 0.00 -0.34 0.00 0.00 43.02 40.42 2br3 s PHE 157 CO 0.03 -0.59 -0.20 0.42 -1.46 0.00 0.00 175.22 173.41 2br3 s ILE 158 N 1.45 2.38 -0.41 3.12 1.01 0.35 -0.92 121.20 128.18 2br3 s ILE 158 Ca 0.04 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 2br3 s ILE 158 Cb -0.15 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.40 2br3 s ILE 158 CO -0.03 0.55 0.32 -0.62 0.00 0.00 0.00 174.94 175.16 2br3 s ASP 159 N 0.34 6.12 0.00 3.58 3.68 -0.02 -0.44 116.67 129.93 2br3 s ASP 159 Ca -0.16 -0.84 0.02 0.00 2.13 0.00 0.00 52.55 53.69 2br3 s ASP 159 Cb -0.17 -2.17 0.05 0.00 -1.45 0.00 0.00 42.92 39.18 2br3 s ASP 159 CO 0.08 -0.46 1.01 0.47 0.13 0.00 0.00 175.17 176.40 2br3 n ASP 160 N 5.23 2.08 -0.14 -0.34 8.00 0.73 -2.90 116.55 129.21 2br3 n ASP 160 Ca -0.10 -1.93 -0.30 0.00 0.71 0.00 0.00 54.79 53.17 2br3 n ASP 160 Cb 0.47 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 2br3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2br3 n ALA 161 N -0.29 1.20 -0.86 2.24 0.00 -1.03 -4.77 120.51 117.00 2br3 n ALA 161 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.36 2br3 n ALA 161 Cb 0.26 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2br3 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2br3 n HIS 162 N -4.23 0.00 -4.08 0.00 8.25 -1.26 -5.05 115.22 108.84 2br3 n HIS 162 Ca -0.54 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.62 2br3 n HIS 162 Cb 0.89 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.69 2br3 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br3 s ALA 163 N -2.00 3.44 -1.15 -1.41 0.00 -1.26 -4.57 121.76 114.82 2br3 s ALA 163 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 2br3 s ALA 163 Cb 0.00 -1.32 0.15 0.00 0.00 0.00 0.00 23.12 21.94 2br3 s ALA 163 CO 0.00 0.72 0.36 -1.71 0.00 0.00 0.00 175.76 175.13 2br3 n ASN 164 N 0.48 -1.47 -0.19 0.00 4.05 -1.26 -4.80 115.26 112.06 2br3 n ASN 164 Ca -0.09 -0.58 -0.07 0.00 0.45 0.00 0.00 54.58 54.28 2br3 n ASN 164 Cb 0.52 -1.33 0.02 0.00 1.23 0.00 0.00 39.78 40.22 2br3 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br3 h THR 165 N -0.53 1.20 -0.03 -0.44 2.02 -1.93 -1.89 112.91 111.32 2br3 h THR 165 Ca -0.36 -0.57 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 2br3 h THR 165 Cb 1.20 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2br3 h THR 165 CO 0.55 0.23 -0.56 -0.26 0.37 0.00 0.00 175.52 175.84 2br3 h PHE 166 N 0.74 0.11 -0.09 3.16 -1.00 -1.97 0.19 116.94 118.08 2br3 h PHE 166 Ca 0.19 -0.04 -0.17 0.00 2.81 0.00 0.00 57.97 60.76 2br3 h PHE 166 Cb 0.12 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2br3 h PHE 166 CO -0.00 0.63 -0.68 -0.91 -1.61 0.00 0.00 178.31 175.73 2br3 h ASN 167 N 0.07 0.47 0.66 2.17 2.35 -1.88 -0.22 115.58 119.20 2br3 h ASN 167 Ca -0.00 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 2br3 h ASN 167 Cb 1.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2br3 h ASN 167 CO 0.08 1.01 -0.35 0.40 -1.65 0.00 0.00 177.43 176.92 2br3 h ILE 168 N 0.29 0.95 -0.04 2.81 2.04 -0.96 -1.54 117.51 121.05 2br3 h ILE 168 Ca -0.02 -1.35 -0.18 0.00 1.00 0.00 0.00 64.86 64.31 2br3 h ILE 168 Cb 1.24 1.80 0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2br3 h ILE 168 CO 0.12 0.34 -0.66 -0.03 0.00 0.00 0.00 178.15 177.92 2br3 h MET 169 N 0.00 0.52 -0.87 2.37 4.05 -0.71 -2.26 114.93 118.03 2br3 h MET 169 Ca -0.00 -0.51 0.03 0.00 -0.28 0.00 0.00 59.70 58.94 2br3 h MET 169 Cb 0.77 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.66 2br3 h MET 169 CO 0.05 1.14 0.57 -0.22 0.23 0.00 0.00 176.91 178.68 2br3 h LYS 170 N 0.10 1.08 -0.30 0.39 3.64 -0.80 -2.04 116.57 118.64 2br3 h LYS 170 Ca -0.07 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 2br3 h LYS 170 Cb 1.34 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2br3 h LYS 170 CO 0.13 0.72 -0.06 2.35 -2.27 0.00 0.00 179.45 180.32 2br3 h TRP 171 N 1.11 0.64 -0.92 1.91 7.01 -1.32 -3.06 115.95 121.33 2br3 h TRP 171 Ca 0.34 -0.13 0.04 0.00 2.11 0.00 0.00 58.89 61.24 2br3 h TRP 171 Cb -0.03 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 26.82 2br3 h TRP 171 CO -0.00 0.75 0.59 0.00 -2.79 0.00 0.00 178.44 177.00 2br3 h ALA 172 N 0.79 1.22 -0.46 2.65 0.00 -0.76 -1.78 119.26 120.93 2br3 h ALA 172 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2br3 h ALA 172 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2br3 h ALA 172 CO 0.03 0.44 0.10 0.28 0.00 0.00 0.00 179.25 180.10 2br3 h VAL 173 N 1.14 1.24 0.00 0.00 2.07 -1.44 -0.87 116.25 118.39 2br3 h VAL 173 Ca 0.37 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2br3 h VAL 173 Cb 0.03 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2br3 h VAL 173 CO -0.13 0.30 -0.06 0.44 0.02 0.00 0.00 177.57 178.15 2br3 h ASP 174 N 0.61 0.00 0.00 0.57 3.32 -1.33 -3.39 116.42 116.20 2br3 h ASP 174 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2br3 h ASP 174 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2br3 h ASP 174 CO 0.00 0.06 0.00 1.41 -1.72 0.00 0.00 179.24 178.99 2br3 n HIS 175 N -3.14 0.00 0.14 4.55 8.25 -0.72 -5.00 115.22 119.31 2br3 n HIS 175 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2br3 n HIS 175 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2br3 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br3 n LEU 176 N -0.07 -0.13 -4.65 2.41 7.94 -0.42 -5.04 117.00 117.04 2br3 n LEU 176 Ca 0.00 0.48 -0.43 0.00 -1.11 0.00 0.00 56.01 54.96 2br3 n LEU 176 Cb 0.14 0.39 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 2br3 n LEU 176 CO 0.00 -0.79 1.32 -0.76 -1.11 0.00 0.00 177.39 176.05 2br3 s LEU 177 N -6.96 4.11 0.51 -1.96 1.43 -0.66 -5.00 118.68 110.15 2br3 s LEU 177 Ca 0.00 1.87 0.07 0.00 -1.03 0.00 0.00 54.13 55.04 2br3 s LEU 177 Cb 0.00 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.73 2br3 s LEU 177 CO 0.00 -1.04 0.70 -1.61 0.23 0.00 0.00 176.35 174.63 2br3 s GLU 178 N 4.22 2.55 -0.35 1.70 2.02 -1.26 -4.90 118.70 122.67 2br3 s GLU 178 Ca 0.69 -1.27 -0.43 0.00 0.02 0.00 0.00 54.97 53.99 2br3 s GLU 178 Cb -0.28 -2.65 -0.18 0.00 0.10 0.00 0.00 34.13 31.13 2br3 s GLU 178 CO 0.27 -0.60 1.66 -1.91 0.02 0.00 0.00 175.26 174.70 2br3 n GLU 179 N -2.11 0.65 0.00 1.61 2.13 -1.26 -1.77 120.64 119.88 2br3 n GLU 179 Ca 0.11 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2br3 n GLU 179 Cb 0.60 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.47 2br3 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2br3 n GLY 180 N 3.99 2.04 3.76 8.31 0.00 -1.22 -4.97 105.19 117.09 2br3 n GLY 180 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 2br3 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br3 s ASP 181 N -2.00 5.75 -0.09 1.61 1.01 -0.73 -4.68 116.67 117.54 2br3 s ASP 181 Ca 0.00 2.54 -0.06 0.00 0.71 0.00 0.00 52.55 55.75 2br3 s ASP 181 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2br3 s ASP 181 CO 0.00 -1.22 0.15 -0.31 0.21 0.00 0.00 175.17 173.99 2br3 s TYR 182 N -1.41 3.57 -0.23 4.23 1.51 -0.97 -1.97 117.35 122.07 2br3 s TYR 182 Ca 0.67 0.47 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 2br3 s TYR 182 Cb -0.35 -1.90 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 2br3 s TYR 182 CO 0.42 0.70 -0.14 0.12 -1.11 0.00 0.00 175.55 175.54 2br3 s PHE 183 N -1.11 3.11 -0.09 2.71 5.36 0.08 -1.34 117.98 126.71 2br3 s PHE 183 Ca 0.18 -2.11 0.01 0.00 -0.96 0.00 0.00 56.93 54.06 2br3 s PHE 183 Cb -0.12 -1.93 -0.02 0.00 -0.34 0.00 0.00 43.02 40.61 2br3 s PHE 183 CO 0.08 -0.86 -0.12 0.42 -1.46 0.00 0.00 175.22 173.29 2br3 s ILE 184 N 1.16 3.22 -0.27 3.12 1.01 -0.10 -2.27 121.20 127.08 2br3 s ILE 184 Ca -0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2br3 s ILE 184 Cb -0.18 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.01 2br3 s ILE 184 CO -0.08 0.56 -0.05 -0.63 0.00 0.00 0.00 174.94 174.75 2br3 s ILE 185 N -0.21 2.81 0.34 2.92 1.01 -0.48 -0.84 121.20 126.75 2br3 s ILE 185 Ca 0.01 -1.26 -0.22 0.00 0.00 0.00 0.00 60.65 59.18 2br3 s ILE 185 Cb -0.13 -2.53 -0.10 0.00 0.01 0.00 0.00 42.46 39.71 2br3 s ILE 185 CO 0.03 0.04 0.88 -1.61 0.00 0.00 0.00 174.94 174.28 2br3 s GLU 186 N 1.26 4.34 0.00 2.79 2.02 -1.14 -4.53 118.70 123.44 2br3 s GLU 186 Ca -0.03 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.05 2br3 s GLU 186 Cb -0.18 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.46 2br3 s GLU 186 CO -0.03 0.19 0.00 -0.25 0.02 0.00 0.00 175.26 175.19 2br3 n ASP 187 N 0.12 0.00 0.12 -0.19 8.00 0.60 -4.58 116.55 120.61 2br3 n ASP 187 Ca 0.03 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.34 2br3 n ASP 187 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.47 2br3 n ASP 187 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2br3 h MET 188 N 0.00 0.36 -0.16 -1.24 2.86 -1.86 -3.39 114.93 111.50 2br3 h MET 188 Ca 0.00 -0.61 0.05 0.00 -2.06 0.00 0.00 59.70 57.08 2br3 h MET 188 Cb 0.00 0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 2br3 h MET 188 CO 0.00 1.29 -0.20 0.82 1.06 0.00 0.00 176.91 179.87 2br3 h ILE 189 N 0.10 0.48 -0.99 -1.22 2.04 -1.84 -0.34 117.51 115.74 2br3 h ILE 189 Ca -0.18 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.89 2br3 h ILE 189 Cb 2.04 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 38.50 2br3 h ILE 189 CO 0.23 0.00 0.62 -0.65 0.00 0.00 0.00 178.15 178.34 2br3 h PRO 190 N -0.25 0.62 -0.08 2.37 0.11 -1.81 -1.49 132.00 131.47 2br3 h PRO 190 Ca 0.11 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.98 2br3 h PRO 190 Cb 0.41 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2br3 h PRO 190 CO -0.30 0.41 -0.78 1.88 -0.21 0.00 0.00 178.00 178.99 2br3 h TYR 191 N 0.64 0.68 -0.47 0.65 -1.99 -1.32 -2.81 116.97 112.36 2br3 h TYR 191 Ca 0.56 -0.32 -0.07 0.00 2.00 0.00 0.00 58.73 60.90 2br3 h TYR 191 Cb 1.04 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 2br3 h TYR 191 CO -0.00 1.10 -0.00 -1.49 -0.00 0.00 0.00 178.16 177.77 2br3 h TRP 192 N 0.33 0.90 -0.28 4.88 6.55 -0.64 -1.92 115.95 125.78 2br3 h TRP 192 Ca -0.05 -0.16 -0.04 0.00 0.95 0.00 0.00 58.89 59.60 2br3 h TRP 192 Cb 1.38 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 29.43 2br3 h TRP 192 CO 0.06 0.86 -0.00 -0.92 -1.05 0.00 0.00 178.44 177.39 2br3 h TYR 193 N 0.68 0.42 -0.32 0.49 3.20 -1.34 0.33 116.97 120.43 2br3 h TYR 193 Ca 0.13 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2br3 h TYR 193 Cb 0.50 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2br3 h TYR 193 CO 0.04 0.43 0.03 -0.09 -1.64 0.00 0.00 178.16 176.93 2br3 h ARG 194 N 0.40 0.55 0.12 1.82 2.43 -1.17 -2.91 114.38 115.63 2br3 h ARG 194 Ca 0.09 -0.16 -0.31 0.00 -0.81 0.00 0.00 59.98 58.79 2br3 h ARG 194 Cb 0.27 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2br3 h ARG 194 CO 0.01 0.66 -1.60 1.88 -1.51 0.00 0.00 179.97 179.40 2br3 h TYR 195 N 0.37 0.46 -2.17 2.20 0.99 -1.01 -3.40 116.97 114.41 2br3 h TYR 195 Ca 0.10 -0.34 -0.57 0.00 2.00 0.00 0.00 58.73 59.92 2br3 h TYR 195 Cb 0.39 -0.02 -0.41 0.00 1.00 0.00 0.00 36.73 37.69 2br3 h TYR 195 CO 0.03 1.63 -0.78 0.00 -0.00 0.00 0.00 178.16 179.04 2br3 n ALA 196 N -3.00 3.75 -0.28 3.88 0.00 0.08 -4.95 120.51 119.99 2br3 n ALA 196 Ca -0.27 -4.33 0.05 0.00 0.00 0.00 0.00 53.44 48.88 2br3 n ALA 196 Cb 0.95 -0.83 0.19 0.00 0.00 0.00 0.00 19.45 19.76 2br3 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br3 h PRO 197 N 3.47 0.60 0.76 0.00 0.13 -1.63 0.70 132.00 136.04 2br3 h PRO 197 Ca 0.14 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.19 2br3 h PRO 197 Cb 0.68 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.68 2br3 h PRO 197 CO 0.72 0.40 -0.37 0.37 -0.23 0.00 0.00 178.00 178.90 2br3 h GLN 198 N 0.62 -0.99 -0.99 0.86 4.15 -1.92 -1.46 115.11 115.38 2br3 h GLN 198 Ca 0.42 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.94 2br3 h GLN 198 Cb 0.53 0.22 -0.06 0.00 0.21 0.00 0.00 27.48 28.39 2br3 h GLN 198 CO -0.33 -0.65 0.65 -0.07 -1.93 0.00 0.00 178.83 176.51 2br3 h LEU 199 N -1.23 1.09 -0.14 -2.39 3.38 -1.96 -2.16 115.31 111.90 2br3 h LEU 199 Ca -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2br3 h LEU 199 Cb 0.80 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2br3 h LEU 199 CO 0.17 0.75 0.02 0.15 0.09 0.00 0.00 178.44 179.62 2br3 h PHE 200 N 1.27 0.25 -0.90 1.13 3.57 -0.84 0.77 116.94 122.17 2br3 h PHE 200 Ca 0.39 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.90 2br3 h PHE 200 Cb -0.02 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 2br3 h PHE 200 CO -0.00 0.42 0.59 0.77 -2.23 0.00 0.00 178.31 177.86 2br3 h SER 201 N -0.00 0.95 0.10 0.41 0.02 -1.14 -1.52 113.55 112.37 2br3 h SER 201 Ca 0.04 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.72 2br3 h SER 201 Cb 0.31 -0.21 0.03 0.00 0.14 0.00 0.00 62.40 62.67 2br3 h SER 201 CO 0.00 0.63 -1.10 -0.08 -1.14 0.00 0.00 176.83 175.15 2br3 h GLU 202 N 1.09 0.56 -0.20 3.45 4.81 -1.12 -1.26 114.58 121.91 2br3 h GLU 202 Ca 0.37 -0.74 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2br3 h GLU 202 Cb 0.09 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2br3 h GLU 202 CO -0.12 1.33 0.07 1.88 -0.73 0.00 0.00 179.01 181.43 2br3 h TYR 203 N 0.15 0.31 -0.55 0.92 0.99 -0.77 -2.40 116.97 115.63 2br3 h TYR 203 Ca -0.17 -0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.43 2br3 h TYR 203 Cb 1.80 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 39.41 2br3 h TYR 203 CO 0.13 0.38 -0.09 1.25 -0.00 0.00 0.00 178.16 179.83 2br3 h LEU 204 N 0.16 1.00 -2.59 3.88 6.46 -1.33 -2.42 115.31 120.47 2br3 h LEU 204 Ca 0.06 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2br3 h LEU 204 Cb 0.21 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2br3 h LEU 204 CO -0.00 1.10 0.00 1.23 -0.62 0.00 0.00 178.44 180.15 2br3 h GLY 205 N 0.95 0.00 1.98 3.75 0.00 -1.16 -1.82 103.07 106.77 2br3 h GLY 205 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2br3 h GLY 205 CO 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.36 2br3 h ALA 206 N 2.00 1.59 -0.39 3.60 0.00 -0.90 -3.00 119.26 122.17 2br3 h ALA 206 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2br3 h ALA 206 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2br3 h ALA 206 CO 0.00 0.30 0.00 1.19 0.00 0.00 0.00 179.25 180.74 2br3 n PHE 207 N -4.26 0.51 -0.36 0.00 3.01 -0.68 -4.57 117.46 111.10 2br3 n PHE 207 Ca -0.02 -0.25 0.33 0.00 1.01 0.00 0.00 57.45 58.52 2br3 n PHE 207 Cb 0.29 0.00 0.68 0.00 -0.01 0.00 0.00 39.48 40.44 2br3 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br3 h ARG 208 N 2.91 0.11 -0.01 -1.08 0.11 -1.64 -0.45 114.38 114.34 2br3 h ARG 208 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2br3 h ARG 208 Cb 0.65 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2br3 h ARG 208 CO 0.00 0.07 -0.27 -0.25 0.10 0.00 0.00 179.97 179.63 2br3 n ASP 209 N -4.33 1.00 0.00 0.08 8.00 -1.26 -4.30 116.55 115.73 2br3 n ASP 209 Ca 0.28 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.92 2br3 n ASP 209 Cb 1.21 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.45 2br3 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br3 n VAL 210 N -0.69 0.00 -4.11 2.53 0.24 -0.42 -4.74 118.33 111.14 2br3 n VAL 210 Ca 0.12 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.27 2br3 n VAL 210 Cb 0.35 0.04 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 2br3 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br3 s LEU 211 N -2.68 2.30 0.11 1.34 1.43 -0.31 -1.19 118.68 119.68 2br3 s LEU 211 Ca 0.00 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2br3 s LEU 211 Cb 0.00 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 2br3 s LEU 211 CO 0.00 -0.20 -0.08 -0.94 0.23 0.00 0.00 176.35 175.37 2br3 s SER 212 N -1.84 1.33 -0.25 2.29 1.04 -0.74 -4.41 113.70 111.13 2br3 s SER 212 Ca -0.04 -0.99 -0.17 0.00 0.48 0.00 0.00 55.95 55.23 2br3 s SER 212 Cb -0.08 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2br3 s SER 212 CO 0.01 -0.41 0.47 -0.32 0.98 0.00 0.00 173.24 173.96 2br3 s MET 213 N -3.70 4.09 -0.89 4.02 1.75 -1.26 -1.77 119.30 121.54 2br3 s MET 213 Ca 0.12 0.26 -0.22 0.00 -1.25 0.00 0.00 55.69 54.60 2br3 s MET 213 Cb 0.04 -3.62 0.08 0.00 2.84 0.00 0.00 34.83 34.16 2br3 s MET 213 CO -0.03 -0.26 1.22 0.34 -0.65 0.00 0.00 175.02 175.64 2br3 s ASP 214 N 1.44 6.45 0.14 1.11 -1.08 -0.56 -4.87 116.67 119.30 2br3 s ASP 214 Ca 0.20 -1.46 0.16 0.00 -0.52 0.00 0.00 52.55 50.92 2br3 s ASP 214 Cb -0.15 -2.48 0.71 0.00 -1.46 0.00 0.00 42.92 39.54 2br3 s ASP 214 CO 0.09 -1.37 1.48 0.23 0.52 0.00 0.00 175.17 176.12 2br3 n MET 215 N 7.88 0.09 -0.23 4.34 2.81 -1.26 -1.34 117.12 129.40 2br3 n MET 215 Ca 0.19 0.43 -0.06 0.00 -1.81 0.00 0.00 57.70 56.45 2br3 n MET 215 Cb 0.49 -1.70 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 2br3 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br3 h LEU 216 N 0.00 0.80 0.00 4.03 6.46 -1.99 -3.37 115.31 121.24 2br3 h LEU 216 Ca 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2br3 h LEU 216 Cb 0.18 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2br3 h LEU 216 CO 0.00 0.65 -1.18 -1.22 -0.62 0.00 0.00 178.44 176.08 2br3 n TYR 217 N -4.55 0.00 0.40 1.25 4.02 -0.75 -4.71 117.16 112.83 2br3 n TYR 217 Ca 0.05 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.07 2br3 n TYR 217 Cb 0.08 -0.17 0.49 0.00 -0.02 0.00 0.00 39.34 39.72 2br3 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2br3 h ALA 218 N 1.08 1.00 -0.37 -0.72 0.00 -1.37 -2.67 119.26 116.20 2br3 h ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2br3 h ALA 218 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2br3 h ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2br3 n ASN 219 N -2.55 3.80 0.00 0.00 3.02 -1.26 -1.28 115.26 116.99 2br3 n ASN 219 Ca 0.03 -2.56 0.10 0.00 -0.03 0.00 0.00 54.58 52.12 2br3 n ASN 219 Cb 0.33 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 2br3 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br3 n ALA 220 N 0.19 4.20 -2.94 5.41 0.00 -1.01 -4.93 120.51 121.43 2br3 n ALA 220 Ca 0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 2br3 n ALA 220 Cb 0.75 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 19.35 2br3 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br3 s SER 221 N -3.39 -0.18 0.22 0.00 1.04 -1.26 -4.85 113.70 105.28 2br3 s SER 221 Ca 0.04 -0.35 0.11 0.00 0.48 0.00 0.00 55.95 56.24 2br3 s SER 221 Cb 0.16 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.81 2br3 s SER 221 CO 0.87 -0.82 1.44 0.77 0.98 0.00 0.00 173.24 176.48 2br3 h SER 222 N 2.48 0.00 1.29 7.02 4.64 -1.95 -2.03 113.55 124.99 2br3 h SER 222 Ca -0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.84 2br3 h SER 222 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2br3 h SER 222 CO 0.48 0.72 -0.68 1.56 -0.87 0.00 0.00 176.83 178.05 2br3 h GLN 223 N 0.00 0.00 -0.00 4.77 4.20 -1.97 -3.28 115.11 118.83 2br3 h GLN 223 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2br3 h GLN 223 Cb 1.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2br3 h GLN 223 CO 0.09 0.68 -0.88 1.28 -0.67 0.00 0.00 178.83 179.32 2br3 n LEU 224 N -3.29 1.02 -1.29 1.46 4.77 -1.22 -0.29 117.00 118.16 2br3 n LEU 224 Ca 0.01 -0.52 -0.18 0.00 -0.03 0.00 0.00 56.01 55.28 2br3 n LEU 224 Cb 0.80 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 2br3 n LEU 224 CO 0.43 0.24 0.33 -0.67 -1.33 0.00 0.00 177.39 176.39 2br3 n ASP 225 N -1.33 0.32 -2.01 -1.43 2.03 -0.77 -0.44 116.55 112.91 2br3 n ASP 225 Ca 0.04 0.31 -0.12 0.00 0.52 0.00 0.00 54.79 55.54 2br3 n ASP 225 Cb 0.32 -0.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.45 2br3 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br3 n ARG 226 N 1.20 -1.86 0.00 -0.67 3.00 -0.41 -4.60 116.66 113.33 2br3 n ARG 226 Ca 0.09 0.63 0.00 0.00 -0.01 0.00 0.00 57.85 58.57 2br3 n ARG 226 Cb -0.02 -5.08 0.00 0.00 0.00 0.00 0.00 32.46 27.36 2br3 n ARG 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2br3 n GLY 227 N -0.57 0.66 3.40 -0.13 0.00 0.41 -4.94 105.19 104.03 2br3 n GLY 227 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2br3 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br3 s VAL 228 N -0.51 4.52 0.15 1.61 1.01 -1.25 -1.38 120.40 124.54 2br3 s VAL 228 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2br3 s VAL 228 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2br3 s VAL 228 CO 0.00 -0.08 -0.12 -0.76 0.00 0.00 0.00 175.10 174.14 2br3 s LEU 229 N 1.57 2.50 0.24 3.92 1.43 -0.96 -1.50 118.68 125.88 2br3 s LEU 229 Ca 0.03 -0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 52.02 2br3 s LEU 229 Cb -0.18 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2br3 s LEU 229 CO 0.06 -0.25 0.53 0.00 0.23 0.00 0.00 176.35 176.92 2br3 s ARG 230 N -3.42 1.56 0.21 1.70 1.70 -0.73 -0.74 118.95 119.24 2br3 s ARG 230 Ca 0.16 -1.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.97 2br3 s ARG 230 Cb -0.00 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.80 2br3 s ARG 230 CO 0.02 -0.67 1.05 0.50 -1.08 0.00 0.00 175.30 175.13 2br3 s ARG 231 N -3.98 4.67 0.30 3.89 6.06 -0.83 -1.79 118.95 127.26 2br3 s ARG 231 Ca 0.18 1.67 0.00 0.00 -2.50 0.00 0.00 55.73 55.08 2br3 s ARG 231 Cb -0.02 -3.26 0.00 0.00 0.06 0.00 0.00 34.95 31.73 2br3 s ARG 231 CO 0.07 0.22 0.00 0.28 -2.50 0.00 0.00 175.30 173.37 2br3 n VAL 232 N 1.91 -2.09 -0.73 7.11 0.31 -0.33 -3.43 118.33 121.08 2br3 n VAL 232 Ca 0.01 0.92 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 2br3 n VAL 232 Cb 0.46 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 2br3 n VAL 232 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51