#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br4 h ASP 3 N 0.00 0.00 0.35 6.41 -0.00 -2.04 -3.27 116.42 117.88 2br4 h ASP 3 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.03 56.79 2br4 h ASP 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2br4 h ASP 3 CO 0.00 0.14 -0.99 0.10 -0.00 0.00 0.00 179.24 178.49 2br4 h TYR 4 N 0.00 0.63 0.00 0.28 -0.00 -2.07 -3.18 116.97 112.63 2br4 h TYR 4 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 58.73 58.32 2br4 h TYR 4 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 37.25 2br4 h TYR 4 CO 0.00 1.19 -0.24 1.03 -0.00 0.00 0.00 178.16 180.13 2br4 h SER 5 N 0.22 0.00 0.06 0.10 0.87 -2.07 -3.20 113.55 109.53 2br4 h SER 5 Ca -0.09 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.15 2br4 h SER 5 Cb 1.64 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 2br4 h SER 5 CO 0.17 0.24 -1.73 0.54 -0.53 0.00 0.00 176.83 175.52 2br4 n ARG 6 N -4.19 0.66 -1.57 2.24 1.74 -1.25 -4.98 116.66 109.31 2br4 n ARG 6 Ca -0.02 0.39 -0.41 0.00 -0.77 0.00 0.00 57.85 57.05 2br4 n ARG 6 Cb 0.30 -1.71 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 2br4 n ARG 6 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2br4 n GLN 7 N -3.92 1.07 -4.02 5.56 6.02 -1.20 -5.01 117.38 115.88 2br4 n GLN 7 Ca -0.34 0.39 -0.35 0.00 -0.01 0.00 0.00 57.00 56.70 2br4 n GLN 7 Cb 0.88 -1.94 -0.14 0.00 1.02 0.00 0.00 30.24 30.06 2br4 n GLN 7 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2br4 s ASN 8 N -0.89 4.17 -0.11 1.08 2.47 -1.26 -5.00 114.94 115.39 2br4 s ASN 8 Ca 0.66 -0.40 -0.17 0.00 0.42 0.00 0.00 52.86 53.36 2br4 s ASN 8 Cb -0.54 -1.70 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 2br4 s ASN 8 CO 0.55 0.00 0.45 -0.36 -3.72 0.00 0.00 177.10 174.03 2br4 s PHE 9 N 1.33 3.52 0.79 0.43 0.40 -1.26 -5.08 117.98 118.11 2br4 s PHE 9 Ca 0.04 0.86 -0.12 0.00 -0.60 0.00 0.00 56.93 57.11 2br4 s PHE 9 Cb -0.14 -2.51 0.07 0.00 0.51 0.00 0.00 43.02 40.95 2br4 s PHE 9 CO -0.03 0.21 1.13 -0.51 0.70 0.00 0.00 175.22 176.72 2br4 s LEU 10 N 0.48 3.08 -0.15 -0.37 1.43 -1.26 -4.99 118.68 116.90 2br4 s LEU 10 Ca 0.25 2.04 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 2br4 s LEU 10 Cb -0.15 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 2br4 s LEU 10 CO 0.10 -2.31 1.19 -0.62 0.23 0.00 0.00 176.35 174.93 2br4 s ASP 11 N -2.83 7.02 0.24 2.29 3.68 -1.26 -4.92 116.67 120.89 2br4 s ASP 11 Ca 0.66 1.65 0.25 0.00 2.13 0.00 0.00 52.55 57.23 2br4 s ASP 11 Cb -0.21 -2.54 0.93 0.00 -1.45 0.00 0.00 42.92 39.64 2br4 s ASP 11 CO 0.52 -0.68 1.74 0.18 0.13 0.00 0.00 175.17 177.06 2br4 n LEU 12 N 6.11 0.72 0.29 -1.34 4.32 -1.26 -2.41 117.00 123.44 2br4 n LEU 12 Ca 0.12 0.64 0.17 0.00 -0.02 0.00 0.00 56.01 56.92 2br4 n LEU 12 Cb 0.46 -0.49 0.89 0.00 -1.62 0.00 0.00 43.42 42.66 2br4 n LEU 12 CO 0.55 -0.43 1.06 0.78 -1.22 0.00 0.00 177.39 178.13 2br4 h ASN 13 N 0.00 0.00 -0.85 -1.43 2.35 -2.01 -2.17 115.58 111.47 2br4 h ASN 13 Ca 0.00 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.99 2br4 h ASN 13 Cb 0.49 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 2br4 h ASN 13 CO 0.00 0.05 0.60 -0.07 -1.65 0.00 0.00 177.43 176.36 2br4 h LEU 14 N 0.00 0.05 -2.64 1.61 4.07 -1.89 -1.93 115.31 114.58 2br4 h LEU 14 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2br4 h LEU 14 Cb 0.23 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 2br4 h LEU 14 CO 0.01 0.02 0.00 0.49 -1.08 0.00 0.00 178.44 177.87 2br4 n PHE 15 N -4.31 0.97 -1.50 1.13 0.99 -0.82 -4.91 117.46 109.01 2br4 n PHE 15 Ca 0.17 -0.48 -0.47 0.00 -0.00 0.00 0.00 57.45 56.67 2br4 n PHE 15 Cb 0.89 -0.01 -0.06 0.00 -1.00 0.00 0.00 39.48 39.31 2br4 n PHE 15 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2br4 n ARG 16 N 1.58 1.38 -0.92 -1.08 3.00 -0.73 -1.46 116.66 118.43 2br4 n ARG 16 Ca 0.24 0.36 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2br4 n ARG 16 Cb 0.61 -2.77 0.00 0.00 0.00 0.00 0.00 32.46 30.30 2br4 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2br4 n GLY 17 N 6.26 0.71 0.43 5.14 0.00 -1.26 -4.82 105.19 111.65 2br4 n GLY 17 Ca 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 2br4 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br4 n LEU 18 N 0.00 1.60 0.00 0.99 4.77 -0.54 -5.11 117.00 118.71 2br4 n LEU 18 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2br4 n LEU 18 Cb 0.02 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2br4 n LEU 18 CO 0.00 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 2br4 n GLY 19 N 2.13 1.35 0.01 -0.72 0.00 -1.00 -4.88 105.19 102.07 2br4 n GLY 19 Ca -0.13 -2.23 0.12 0.00 0.00 0.00 0.00 46.02 43.79 2br4 n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2br4 n GLU 20 N -0.66 0.03 -3.58 1.61 0.28 -1.26 -4.68 120.64 112.38 2br4 n GLU 20 Ca 0.00 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.89 2br4 n GLU 20 Cb 0.00 -1.52 -0.11 0.00 1.43 0.00 0.00 31.44 31.24 2br4 n GLU 20 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2br4 s ASP 21 N -3.12 0.31 0.53 -1.84 -1.08 -1.26 -5.03 116.67 105.17 2br4 s ASP 21 Ca 0.11 0.53 0.30 0.00 -0.52 0.00 0.00 52.55 52.96 2br4 s ASP 21 Cb 0.17 0.90 1.44 0.00 -1.46 0.00 0.00 42.92 43.97 2br4 s ASP 21 CO 0.70 -0.26 2.04 1.55 0.52 0.00 0.00 175.17 179.72 2br4 h PRO 22 N 8.24 0.00 -7.06 4.34 0.13 -1.89 -3.44 132.00 132.32 2br4 h PRO 22 Ca -0.16 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.51 2br4 h PRO 22 Cb 1.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.27 2br4 h PRO 22 CO 0.17 0.10 0.38 0.00 -0.23 0.00 0.00 178.00 178.42 2br4 s ALA 23 N -3.96 2.93 -0.10 -0.56 0.00 -1.26 -4.47 121.76 114.32 2br4 s ALA 23 Ca -0.02 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.28 2br4 s ALA 23 Cb 0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2br4 s ALA 23 CO 0.57 -0.20 0.71 -0.47 0.00 0.00 0.00 175.76 176.36 2br4 s TYR 24 N -2.00 3.52 -0.13 0.00 5.04 -1.26 -4.88 117.35 117.64 2br4 s TYR 24 Ca 0.65 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 56.50 2br4 s TYR 24 Cb -0.15 -2.83 0.02 0.00 0.35 0.00 0.00 41.96 39.34 2br4 s TYR 24 CO 0.19 0.00 -0.16 -1.01 -1.34 0.00 0.00 175.55 173.23 2br4 s HIS 25 N 1.16 2.12 0.60 4.97 3.76 -1.26 -5.01 115.29 121.63 2br4 s HIS 25 Ca 0.36 -1.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.02 2br4 s HIS 25 Cb -0.17 -1.53 -0.06 0.00 1.11 0.00 0.00 32.58 31.94 2br4 s HIS 25 CO 0.16 -0.56 0.83 -2.30 -0.85 0.00 0.00 174.74 172.02 2br4 n PRO 26 N 4.39 0.74 -1.45 8.40 -0.02 -1.26 -4.94 135.00 140.86 2br4 n PRO 26 Ca -0.18 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 2br4 n PRO 26 Cb 0.51 -2.03 0.09 0.00 -0.02 0.00 0.00 33.50 32.05 2br4 n PRO 26 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2br4 n PRO 27 N -0.80 0.67 -4.56 0.52 -0.02 -1.26 -5.04 135.00 124.52 2br4 n PRO 27 Ca 0.13 0.29 -0.22 0.00 -2.02 0.00 0.00 63.50 61.68 2br4 n PRO 27 Cb 0.48 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 2br4 n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2br4 s VAL 28 N -1.71 1.02 0.20 -1.45 1.01 -1.26 -5.14 120.40 113.08 2br4 s VAL 28 Ca 0.77 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 2br4 s VAL 28 Cb -0.35 -0.90 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 2br4 s VAL 28 CO 0.47 0.31 0.80 -0.76 0.00 0.00 0.00 175.10 175.92 2br4 s LEU 29 N 0.13 4.52 0.07 3.92 1.02 -1.26 -4.84 118.68 122.24 2br4 s LEU 29 Ca -0.03 1.65 -0.00 0.00 0.02 0.00 0.00 54.13 55.77 2br4 s LEU 29 Cb -0.10 -3.48 -0.00 0.00 0.02 0.00 0.00 46.19 42.64 2br4 s LEU 29 CO 0.01 0.13 -0.00 0.35 0.02 0.00 0.00 176.35 176.86 2br4 n THR 30 N 1.27 0.91 0.31 5.49 -2.24 -1.26 -4.83 114.28 113.93 2br4 n THR 30 Ca -0.04 0.30 0.04 0.00 -2.27 0.00 0.00 64.05 62.08 2br4 n THR 30 Cb 0.49 -1.57 0.18 0.00 -2.10 0.00 0.00 70.33 67.33 2br4 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br4 n ASP 31 N -3.37 2.85 -3.60 3.42 3.85 -1.26 -4.89 116.55 113.55 2br4 n ASP 31 Ca -0.00 -2.33 -0.09 0.00 -0.71 0.00 0.00 54.79 51.66 2br4 n ASP 31 Cb 0.13 -0.51 -0.02 0.00 -1.35 0.00 0.00 41.12 39.38 2br4 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2br4 s ARG 32 N -1.74 1.34 0.55 0.11 1.04 -1.26 -5.13 118.95 113.86 2br4 s ARG 32 Ca 0.24 -0.62 -0.15 0.00 -1.04 0.00 0.00 55.73 54.17 2br4 s ARG 32 Cb 0.17 0.54 -0.06 0.00 -2.04 0.00 0.00 34.95 33.56 2br4 s ARG 32 CO 0.09 -0.60 1.00 -1.25 -0.04 0.00 0.00 175.30 174.50 2br4 s PRO 33 N -3.64 3.82 0.23 3.89 0.04 -1.26 -4.87 135.00 133.21 2br4 s PRO 33 Ca 0.06 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 2br4 s PRO 33 Cb -0.02 -2.11 0.24 0.00 0.04 0.00 0.00 34.50 32.64 2br4 s PRO 33 CO -0.05 -0.38 1.62 -0.09 0.04 0.00 0.00 177.00 178.14 2br4 h ARG 34 N 0.50 0.57 -4.32 4.56 2.43 -2.01 -3.38 114.38 112.72 2br4 h ARG 34 Ca -0.46 -0.27 -0.72 0.00 -0.81 0.00 0.00 59.98 57.72 2br4 h ARG 34 Cb 1.19 -0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.44 2br4 h ARG 34 CO 0.62 0.85 -0.40 -0.51 -1.51 0.00 0.00 179.97 179.01 2br4 s ASP 35 N -6.84 5.71 0.16 -3.80 1.01 -1.26 -5.06 116.67 106.59 2br4 s ASP 35 Ca -0.07 -1.82 -0.30 0.00 0.71 0.00 0.00 52.55 51.07 2br4 s ASP 35 Cb 0.13 -2.01 -0.07 0.00 1.01 0.00 0.00 42.92 41.97 2br4 s ASP 35 CO 0.82 -0.67 1.05 0.86 0.21 0.00 0.00 175.17 177.45 2br4 s TRP 36 N 1.39 3.67 0.29 4.23 -0.11 -1.26 -5.02 118.94 122.13 2br4 s TRP 36 Ca 0.05 1.67 -0.29 0.00 1.22 0.00 0.00 56.10 58.75 2br4 s TRP 36 Cb -0.26 -3.20 -0.10 0.00 -1.50 0.00 0.00 33.47 28.42 2br4 s TRP 36 CO 0.00 -0.33 1.20 -1.25 -4.62 0.00 0.00 176.95 171.95 2br4 s PRO 37 N -0.27 4.51 0.48 5.86 0.04 -1.26 -4.94 135.00 139.41 2br4 s PRO 37 Ca 0.48 1.98 0.27 0.00 0.04 0.00 0.00 61.00 63.78 2br4 s PRO 37 Cb -0.27 -3.15 0.89 0.00 0.04 0.00 0.00 34.50 32.01 2br4 s PRO 37 CO 0.33 0.02 1.81 -0.07 0.04 0.00 0.00 177.00 179.13 2br4 h LEU 38 N 3.81 0.00 -0.49 -3.56 4.07 -1.98 -2.73 115.31 114.43 2br4 h LEU 38 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2br4 h LEU 38 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2br4 h LEU 38 CO 0.67 0.09 0.00 -0.90 -1.08 0.00 0.00 178.44 177.22 2br4 n ASP 39 N -3.18 0.66 -1.49 -0.43 5.75 -1.26 -2.28 116.55 114.32 2br4 n ASP 39 Ca 0.01 0.63 -0.13 0.00 -0.01 0.00 0.00 54.79 55.30 2br4 n ASP 39 Cb 0.43 -0.78 0.12 0.00 -1.03 0.00 0.00 41.12 39.85 2br4 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2br4 n ARG 40 N -2.20 2.56 -0.14 0.11 1.74 -1.03 -4.87 116.66 112.83 2br4 n ARG 40 Ca 0.03 -3.61 -0.05 0.00 -0.77 0.00 0.00 57.85 53.44 2br4 n ARG 40 Cb 0.28 -2.00 0.03 0.00 -1.02 0.00 0.00 32.46 29.75 2br4 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br4 h TRP 41 N 1.56 0.38 0.00 -1.55 7.01 -1.47 -2.14 115.95 119.75 2br4 h TRP 41 Ca 0.27 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 2br4 h TRP 41 Cb 1.39 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.33 2br4 h TRP 41 CO 0.95 0.18 -0.15 0.00 -2.79 0.00 0.00 178.44 176.64 2br4 h ALA 42 N 1.25 1.08 0.00 2.65 0.00 -1.89 -2.76 119.26 119.59 2br4 h ALA 42 Ca 0.20 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2br4 h ALA 42 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2br4 h ALA 42 CO -0.15 0.18 -0.37 0.93 0.00 0.00 0.00 179.25 179.85 2br4 h GLU 43 N 0.00 0.00 -6.78 0.00 5.08 -1.78 -3.47 114.58 107.64 2br4 h GLU 43 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2br4 h GLU 43 Cb 0.57 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.93 2br4 h GLU 43 CO 0.02 0.37 0.55 0.00 -1.00 0.00 0.00 179.01 178.95 2br4 n ALA 44 N -2.27 1.49 -1.77 3.43 0.00 -1.04 -4.94 120.51 115.41 2br4 n ALA 44 Ca 0.00 0.36 -0.37 0.00 0.00 0.00 0.00 53.44 53.43 2br4 n ALA 44 Cb 0.54 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 2br4 n ALA 44 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2br4 s PRO 45 N -1.92 3.79 0.01 0.00 0.04 -1.26 -4.96 135.00 130.69 2br4 s PRO 45 Ca 0.55 1.83 0.22 0.00 0.04 0.00 0.00 61.00 63.64 2br4 s PRO 45 Cb -0.55 -2.47 -0.20 0.00 0.04 0.00 0.00 34.50 31.32 2br4 s PRO 45 CO 0.63 -0.54 0.75 0.54 0.04 0.00 0.00 177.00 178.41 2br4 n ARG 46 N -0.38 0.41 -1.34 4.56 1.74 -1.26 -4.95 116.66 115.44 2br4 n ARG 46 Ca 0.07 -0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2br4 n ARG 46 Cb 0.47 -1.55 0.10 0.00 -1.02 0.00 0.00 32.46 30.46 2br4 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2br4 s ASP 47 N -4.07 4.20 0.13 0.55 1.47 -1.26 -4.96 116.67 112.74 2br4 s ASP 47 Ca -0.01 1.56 -0.19 0.00 1.18 0.00 0.00 52.55 55.10 2br4 s ASP 47 Cb 0.14 -2.28 -0.03 0.00 -0.34 0.00 0.00 42.92 40.41 2br4 s ASP 47 CO 0.87 -2.19 1.77 0.25 0.68 0.00 0.00 175.17 176.55 2br4 h LEU 48 N -1.24 0.22 0.00 2.11 5.85 -2.03 -3.46 115.31 116.76 2br4 h LEU 48 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2br4 h LEU 48 Cb 1.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2br4 h LEU 48 CO 0.55 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 179.42 2br4 n GLY 49 N -1.17 0.38 3.35 3.75 0.00 -1.26 -5.06 105.19 105.18 2br4 n GLY 49 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2br4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br4 s TYR 50 N -2.00 1.10 0.17 1.61 -0.85 -1.26 -4.65 117.35 111.47 2br4 s TYR 50 Ca 0.00 -1.29 -0.32 0.00 -0.52 0.00 0.00 57.07 54.94 2br4 s TYR 50 Cb 0.00 -0.36 -0.10 0.00 0.38 0.00 0.00 41.96 41.88 2br4 s TYR 50 CO 0.00 -0.85 1.58 0.45 -1.52 0.00 0.00 175.55 175.22 2br4 s SER 51 N -3.19 6.57 0.00 -0.18 0.15 -1.26 -4.90 113.70 110.88 2br4 s SER 51 Ca 0.35 2.64 0.10 0.00 0.70 0.00 0.00 55.95 59.74 2br4 s SER 51 Cb 0.03 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.21 2br4 s SER 51 CO 0.16 -0.84 1.32 -0.90 1.20 0.00 0.00 173.24 174.18 2br4 n ASP 52 N 3.93 0.64 0.00 5.45 5.75 -1.26 -4.65 116.55 126.41 2br4 n ASP 52 Ca 0.14 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 2br4 n ASP 52 Cb 0.38 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 2br4 n ASP 52 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2br4 n PHE 53 N -0.24 0.00 -2.97 2.11 -0.00 -1.26 -4.43 117.46 110.68 2br4 n PHE 53 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.38 2br4 n PHE 53 Cb 0.13 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.48 39.35 2br4 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2br4 n SER 54 N -1.69 -1.35 -0.14 -2.13 2.88 -1.26 -4.99 113.62 104.94 2br4 n SER 54 Ca 0.00 -3.04 0.15 0.00 -1.33 0.00 0.00 58.87 54.65 2br4 n SER 54 Cb 0.00 0.63 0.75 0.00 -0.75 0.00 0.00 64.21 64.84 2br4 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br4 n PRO 55 N 1.43 1.03 -2.74 -1.46 -0.04 -1.26 -4.89 135.00 127.07 2br4 n PRO 55 Ca 0.15 -0.28 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 2br4 n PRO 55 Cb 0.59 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2br4 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br4 s TYR 56 N -2.16 3.49 0.22 0.54 1.51 -1.26 -4.92 117.35 114.76 2br4 s TYR 56 Ca 0.39 1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 57.41 2br4 s TYR 56 Cb 0.21 -2.48 -0.00 0.00 -0.11 0.00 0.00 41.96 39.58 2br4 s TYR 56 CO 0.40 -0.18 0.43 1.14 -1.11 0.00 0.00 175.55 176.23 2br4 s GLN 57 N -4.03 1.43 -0.20 -0.62 -2.07 -1.26 -1.24 119.66 111.67 2br4 s GLN 57 Ca 0.52 -1.19 -0.04 0.00 -1.82 0.00 0.00 55.36 52.83 2br4 s GLN 57 Cb -0.10 0.45 0.09 0.00 -1.09 0.00 0.00 33.01 32.36 2br4 s GLN 57 CO 0.34 -0.58 0.19 -0.46 -1.32 0.00 0.00 175.29 173.46 2br4 s TRP 58 N -3.99 -0.15 -1.19 9.60 -0.11 0.51 -4.79 118.94 118.82 2br4 s TRP 58 Ca 0.20 0.04 -0.06 0.00 1.22 0.00 0.00 56.10 57.50 2br4 s TRP 58 Cb 0.00 -0.46 0.01 0.00 -1.50 0.00 0.00 33.47 31.52 2br4 s TRP 58 CO 0.05 -0.60 1.03 0.54 -4.62 0.00 0.00 176.95 173.35 2br4 n ARG 59 N 5.31 -6.91 -0.94 5.86 1.74 -1.26 -2.15 116.66 118.31 2br4 n ARG 59 Ca -0.06 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 2br4 n ARG 59 Cb 0.49 -5.54 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 2br4 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 60 N -1.69 0.73 3.39 -0.13 0.00 -1.26 -5.03 105.19 101.19 2br4 n GLY 60 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2br4 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br4 s LEU 61 N 0.00 2.83 0.33 0.99 1.43 -0.91 -4.21 118.68 119.13 2br4 s LEU 61 Ca 0.00 -0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 2br4 s LEU 61 Cb 0.00 -1.65 -0.12 0.00 0.03 0.00 0.00 46.19 44.44 2br4 s LEU 61 CO 0.00 0.15 1.30 0.54 0.23 0.00 0.00 176.35 178.57 2br4 n ARG 62 N 3.63 2.12 -3.87 1.70 1.74 -1.26 -0.36 116.66 120.36 2br4 n ARG 62 Ca -0.18 0.74 -0.28 0.00 -0.77 0.00 0.00 57.85 57.36 2br4 n ARG 62 Cb 0.52 -2.33 -0.16 0.00 -1.02 0.00 0.00 32.46 29.47 2br4 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2br4 s MET 63 N -1.78 1.32 0.00 5.56 -1.94 -0.37 -3.86 119.30 118.23 2br4 s MET 63 Ca 0.56 -0.57 0.30 0.00 -1.71 0.00 0.00 55.69 54.27 2br4 s MET 63 Cb -0.57 -2.11 1.53 0.00 2.01 0.00 0.00 34.83 35.69 2br4 s MET 63 CO 0.61 -0.50 2.04 1.28 -0.01 0.00 0.00 175.02 178.45 2br4 n LEU 64 N 4.87 0.19 -4.65 -0.03 4.77 -1.26 -4.32 117.00 116.57 2br4 n LEU 64 Ca -0.11 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 2br4 n LEU 64 Cb 0.47 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2br4 n LEU 64 CO 0.16 0.03 0.74 -0.54 -1.33 0.00 0.00 177.39 176.45 2br4 s LYS 65 N -2.37 4.23 0.70 3.23 1.02 -1.26 -5.06 119.74 120.24 2br4 s LYS 65 Ca 0.34 1.11 -0.07 0.00 0.02 0.00 0.00 55.97 57.37 2br4 s LYS 65 Cb 0.21 -3.63 0.05 0.00 -0.52 0.00 0.00 37.83 33.94 2br4 s LYS 65 CO 0.44 -0.52 1.02 0.16 -0.92 0.00 0.00 175.35 175.53 2br4 s ASP 66 N 1.26 4.90 0.28 2.83 1.47 -1.26 -4.81 116.67 121.34 2br4 s ASP 66 Ca 0.39 0.55 0.01 0.00 1.18 0.00 0.00 52.55 54.68 2br4 s ASP 66 Cb -0.15 -1.23 0.57 0.00 -0.34 0.00 0.00 42.92 41.76 2br4 s ASP 66 CO 0.08 -1.56 1.82 -0.65 0.68 0.00 0.00 175.17 175.54 2br4 h PRO 67 N -0.60 0.88 -0.21 2.11 0.11 -1.97 -1.58 132.00 130.74 2br4 h PRO 67 Ca -0.45 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2br4 h PRO 67 Cb 1.31 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2br4 h PRO 67 CO 0.61 0.58 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.28 2br4 h ASP 68 N 0.90 0.40 0.22 -2.05 3.32 -1.93 -2.07 116.42 115.22 2br4 h ASP 68 Ca 0.50 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 57.27 2br4 h ASP 68 Cb 0.56 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2br4 h ASP 68 CO -0.29 0.67 -0.56 0.74 -1.72 0.00 0.00 179.24 178.07 2br4 h THR 69 N 0.35 1.35 -0.35 0.35 2.02 -1.63 -2.75 112.91 112.26 2br4 h THR 69 Ca 0.05 -1.85 -0.06 0.00 0.77 0.00 0.00 66.41 65.32 2br4 h THR 69 Cb 0.66 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2br4 h THR 69 CO 0.05 0.56 -0.05 1.56 0.37 0.00 0.00 175.52 178.01 2br4 h GLN 70 N 0.27 0.57 -0.20 6.66 4.20 -0.82 -2.03 115.11 123.76 2br4 h GLN 70 Ca 0.00 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 2br4 h GLN 70 Cb 1.06 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 2br4 h GLN 70 CO 0.09 0.63 -0.17 0.00 -0.67 0.00 0.00 178.83 178.72 2br4 h ALA 71 N 1.42 0.29 -0.06 3.87 0.00 -1.21 -0.77 119.26 122.79 2br4 h ALA 71 Ca 0.11 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2br4 h ALA 71 Cb 0.42 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2br4 h ALA 71 CO 0.02 0.19 -0.23 0.28 0.00 0.00 0.00 179.25 179.51 2br4 h VAL 72 N 0.14 0.45 -0.25 0.00 2.07 -1.41 -1.99 116.25 115.25 2br4 h VAL 72 Ca 0.04 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 2br4 h VAL 72 Cb 0.70 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2br4 h VAL 72 CO 0.04 0.00 -0.19 1.88 0.02 0.00 0.00 177.57 179.33 2br4 h TYR 73 N -0.34 0.49 -0.47 1.57 0.99 -1.31 -0.93 116.97 116.97 2br4 h TYR 73 Ca 0.08 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.73 2br4 h TYR 73 Cb 0.45 -0.13 -0.03 0.00 1.00 0.00 0.00 36.73 38.02 2br4 h TYR 73 CO -0.30 0.62 0.30 1.25 -0.00 0.00 0.00 178.16 180.03 2br4 h HIS 74 N 0.41 0.56 -0.61 4.88 2.76 -0.94 -0.40 115.15 121.82 2br4 h HIS 74 Ca 0.07 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 2br4 h HIS 74 Cb 0.56 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 2br4 h HIS 74 CO 0.02 0.34 0.07 -0.44 -1.30 0.00 0.00 177.93 176.62 2br4 h ASP 75 N 0.60 0.99 -0.39 3.26 3.32 -0.69 -1.20 116.42 122.32 2br4 h ASP 75 Ca 0.18 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2br4 h ASP 75 Cb -0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2br4 h ASP 75 CO -0.06 1.01 0.13 -0.03 -1.72 0.00 0.00 179.24 178.57 2br4 h MET 76 N 0.93 0.60 -0.65 3.56 4.05 -0.99 -1.12 114.93 121.30 2br4 h MET 76 Ca 0.18 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2br4 h MET 76 Cb 0.46 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 2br4 h MET 76 CO 0.02 0.60 0.37 -0.07 0.23 0.00 0.00 176.91 178.05 2br4 h LEU 77 N 0.48 0.81 -1.14 3.39 4.07 -0.95 -0.42 115.31 121.55 2br4 h LEU 77 Ca 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2br4 h LEU 77 Cb 0.24 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 2br4 h LEU 77 CO -0.01 0.66 0.35 -0.25 -1.08 0.00 0.00 178.44 178.11 2br4 h TRP 78 N 0.89 0.93 0.03 1.13 2.91 -0.79 -0.74 115.95 120.32 2br4 h TRP 78 Ca 0.23 -0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.09 2br4 h TRP 78 Cb 0.02 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.37 2br4 h TRP 78 CO -0.01 0.67 -0.69 1.49 -1.03 0.00 0.00 178.44 178.87 2br4 h GLU 79 N 0.95 0.06 0.03 2.65 4.81 -0.93 -3.38 114.58 118.77 2br4 h GLU 79 Ca 0.24 -0.11 -0.23 0.00 -0.13 0.00 0.00 59.36 59.13 2br4 h GLU 79 Cb 0.06 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2br4 h GLU 79 CO -0.04 1.05 -1.07 1.25 -0.73 0.00 0.00 179.01 179.48 2br4 h LEU 80 N -0.84 0.09 -3.07 1.64 6.46 -1.12 -3.49 115.31 114.98 2br4 h LEU 80 Ca -0.17 -0.10 -0.36 0.00 -0.12 0.00 0.00 57.88 57.13 2br4 h LEU 80 Cb 1.27 -0.03 0.08 0.00 -0.73 0.00 0.00 40.66 41.25 2br4 h LEU 80 CO -0.05 1.08 -0.83 0.54 -0.62 0.00 0.00 178.44 178.56 2br4 n ARG 81 N -3.38 -1.38 -2.29 1.25 1.74 -0.28 -4.80 116.66 107.52 2br4 n ARG 81 Ca -0.02 0.66 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 2br4 n ARG 81 Cb 0.96 -4.36 -0.03 0.00 -1.02 0.00 0.00 32.46 28.01 2br4 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br4 s PRO 82 N -5.32 4.45 0.25 5.56 0.04 -1.26 -4.53 135.00 134.19 2br4 s PRO 82 Ca 0.37 1.99 0.24 0.00 0.04 0.00 0.00 61.00 63.64 2br4 s PRO 82 Cb -0.12 -3.18 0.33 0.00 0.04 0.00 0.00 34.50 31.57 2br4 s PRO 82 CO 0.84 -0.12 1.41 0.00 0.04 0.00 0.00 177.00 179.17 2br4 h ARG 83 N 4.71 0.00 -3.89 4.56 2.47 -1.13 -3.39 114.38 117.71 2br4 h ARG 83 Ca -0.46 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.05 2br4 h ARG 83 Cb 1.22 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.29 2br4 h ARG 83 CO 0.73 0.00 -0.71 0.99 0.56 0.00 0.00 179.97 181.53 2br4 s THR 84 N -3.22 0.08 -0.06 2.04 2.01 -1.06 -1.56 115.64 113.87 2br4 s THR 84 Ca 0.05 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 2br4 s THR 84 Cb 0.10 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.49 2br4 s THR 84 CO 0.70 -0.23 0.03 -0.63 -0.69 0.00 0.00 174.62 173.81 2br4 s ILE 85 N -0.69 0.13 -0.21 1.82 1.01 -0.62 -2.26 121.20 120.39 2br4 s ILE 85 Ca -0.07 0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 2br4 s ILE 85 Cb -0.05 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 2br4 s ILE 85 CO -0.00 0.19 0.06 -0.69 0.00 0.00 0.00 174.94 174.50 2br4 s VAL 86 N 2.07 4.50 -0.23 2.92 1.01 -0.37 -0.26 120.40 130.05 2br4 s VAL 86 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2br4 s VAL 86 Cb -0.12 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2br4 s VAL 86 CO -0.04 0.41 -0.04 -1.61 0.00 0.00 0.00 175.10 173.81 2br4 s GLU 87 N 0.92 3.28 -0.01 2.72 0.41 -0.02 -0.21 118.70 125.80 2br4 s GLU 87 Ca 0.03 -0.69 -0.27 0.00 -0.41 0.00 0.00 54.97 53.64 2br4 s GLU 87 Cb -0.14 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 2br4 s GLU 87 CO 0.03 -0.24 0.86 -0.51 -0.49 0.00 0.00 175.26 174.91 2br4 s LEU 88 N 1.46 4.37 0.00 1.80 1.43 -0.16 -0.56 118.68 127.02 2br4 s LEU 88 Ca 0.05 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2br4 s LEU 88 Cb -0.15 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2br4 s LEU 88 CO -0.03 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.99 2br4 n GLY 89 N 2.85 -2.55 0.32 -3.19 0.00 0.14 -1.19 105.19 101.58 2br4 n GLY 89 Ca 0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 2br4 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br4 n VAL 90 N 0.35 0.54 0.00 1.61 0.31 -1.25 -4.79 118.33 115.10 2br4 n VAL 90 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2br4 n VAL 90 Cb 0.00 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2br4 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br4 n TYR 91 N -3.06 0.00 0.49 3.52 9.36 -1.26 -1.26 117.16 124.95 2br4 n TYR 91 Ca -0.18 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.16 2br4 n TYR 91 Cb 0.66 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.83 2br4 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br4 n ASN 92 N 5.84 0.68 0.00 2.98 6.94 -1.26 -2.53 115.26 127.91 2br4 n ASN 92 Ca 0.00 0.63 0.00 0.00 -0.02 0.00 0.00 54.58 55.19 2br4 n ASN 92 Cb 0.00 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 36.63 2br4 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br4 n GLY 93 N 0.48 0.72 0.21 4.83 0.00 -0.39 -1.35 105.19 109.69 2br4 n GLY 93 Ca 0.03 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2br4 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br4 h GLY 94 N 0.00 0.73 1.48 -0.02 0.00 -1.76 -2.44 103.07 101.07 2br4 h GLY 94 Ca 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 2br4 h GLY 94 CO 0.00 0.64 -0.09 1.48 0.00 0.00 0.00 176.54 178.57 2br4 h SER 95 N 0.42 0.60 -0.17 0.19 4.64 -1.86 -2.42 113.55 114.95 2br4 h SER 95 Ca 0.06 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2br4 h SER 95 Cb 0.76 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2br4 h SER 95 CO 0.06 0.74 0.06 -0.07 -0.87 0.00 0.00 176.83 176.74 2br4 h LEU 96 N 0.58 0.25 -0.41 5.97 4.07 -1.87 -1.42 115.31 122.48 2br4 h LEU 96 Ca 0.11 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 2br4 h LEU 96 Cb 0.50 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 2br4 h LEU 96 CO 0.03 0.37 0.08 0.00 -1.08 0.00 0.00 178.44 177.84 2br4 h ALA 97 N 0.89 0.55 -0.77 1.53 0.00 -1.39 -1.99 119.26 118.07 2br4 h ALA 97 Ca 0.06 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2br4 h ALA 97 Cb 0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 2br4 h ALA 97 CO -0.00 0.24 0.30 2.35 0.00 0.00 0.00 179.25 182.14 2br4 h TRP 98 N 0.53 0.52 -0.25 0.00 7.01 -1.38 0.40 115.95 122.77 2br4 h TRP 98 Ca 0.13 0.04 -0.16 0.00 2.11 0.00 0.00 58.89 61.00 2br4 h TRP 98 Cb 0.34 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 2br4 h TRP 98 CO 0.02 0.04 -0.50 0.74 -2.79 0.00 0.00 178.44 175.95 2br4 h PHE 99 N 0.43 0.84 -0.20 2.65 0.05 -0.79 -0.96 116.94 118.97 2br4 h PHE 99 Ca 0.43 -0.28 -0.10 0.00 3.82 0.00 0.00 57.97 61.84 2br4 h PHE 99 Cb 0.69 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 38.47 2br4 h PHE 99 CO -0.17 1.04 -0.28 -0.09 -0.18 0.00 0.00 178.31 178.63 2br4 h ARG 100 N 0.54 0.54 -0.76 1.51 1.12 -1.15 -2.49 114.38 113.69 2br4 h ARG 100 Ca 0.02 -0.32 -0.03 0.00 -1.11 0.00 0.00 59.98 58.55 2br4 h ARG 100 Cb 1.06 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 31.01 2br4 h ARG 100 CO 0.10 0.92 0.37 -0.44 -3.11 0.00 0.00 179.97 177.80 2br4 h ASP 101 N 0.21 0.99 0.00 -3.80 3.32 -0.82 -1.81 116.42 114.51 2br4 h ASP 101 Ca 0.02 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.78 2br4 h ASP 101 Cb 0.86 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2br4 h ASP 101 CO 0.07 0.85 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.82 2br4 h LEU 102 N 1.07 0.64 -0.45 1.55 4.07 -1.18 -2.08 115.31 118.92 2br4 h LEU 102 Ca 0.26 -0.34 -0.16 0.00 0.08 0.00 0.00 57.88 57.72 2br4 h LEU 102 Cb 0.12 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2br4 h LEU 102 CO -0.03 1.06 -0.44 0.71 -1.08 0.00 0.00 178.44 178.65 2br4 h THR 103 N 0.44 1.28 -0.49 0.22 1.35 -1.34 -2.76 112.91 111.62 2br4 h THR 103 Ca 0.01 -1.62 -0.10 0.00 -0.55 0.00 0.00 66.41 64.15 2br4 h THR 103 Cb 1.09 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 2br4 h THR 103 CO 0.10 0.53 -0.07 0.50 -0.25 0.00 0.00 175.52 176.33 2br4 h LYS 104 N 0.64 0.91 0.00 4.72 3.64 -1.13 0.22 116.57 125.57 2br4 h LYS 104 Ca 0.04 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 2br4 h LYS 104 Cb 1.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2br4 h LYS 104 CO 0.10 0.98 -0.24 0.97 -2.27 0.00 0.00 179.45 178.99 2br4 h ILE 105 N 0.77 0.50 -0.00 2.00 6.09 -1.44 -2.25 117.51 123.18 2br4 h ILE 105 Ca 0.13 -1.31 0.00 0.00 -1.37 0.00 0.00 64.86 62.31 2br4 h ILE 105 Cb 0.62 1.93 0.00 0.00 0.47 0.00 0.00 36.82 39.84 2br4 h ILE 105 CO 0.04 0.23 -0.01 0.23 -3.07 0.00 0.00 178.15 175.58 2br4 n MET 106 N -3.28 0.50 -1.16 2.19 2.81 -1.04 -4.92 117.12 112.21 2br4 n MET 106 Ca 0.01 -0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 2br4 n MET 106 Cb 0.51 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.49 2br4 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br4 n GLY 107 N 1.26 0.81 3.80 3.03 0.00 -0.85 -5.02 105.19 108.22 2br4 n GLY 107 Ca 0.15 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2br4 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br4 s ILE 108 N -2.16 4.87 -0.82 -0.61 1.01 0.03 -5.02 121.20 118.50 2br4 s ILE 108 Ca 0.00 1.12 -0.17 0.00 0.00 0.00 0.00 60.65 61.60 2br4 s ILE 108 Cb 0.00 -3.86 0.15 0.00 0.01 0.00 0.00 42.46 38.76 2br4 s ILE 108 CO 0.00 0.51 0.92 -0.62 0.00 0.00 0.00 174.94 175.76 2br4 s ASP 109 N -0.78 6.56 -0.14 3.58 3.68 -1.26 -4.12 116.67 124.20 2br4 s ASP 109 Ca 0.28 -2.08 0.01 0.00 2.13 0.00 0.00 52.55 52.89 2br4 s ASP 109 Cb -0.18 -2.32 0.02 0.00 -1.45 0.00 0.00 42.92 38.98 2br4 s ASP 109 CO 0.17 -0.94 -0.18 0.00 0.13 0.00 0.00 175.17 174.35 2br4 s GLN 111 N 1.15 4.62 -0.16 0.00 -1.52 -0.60 -4.94 119.66 118.20 2br4 s GLN 111 Ca -0.01 1.25 -0.03 0.00 -1.95 0.00 0.00 55.36 54.62 2br4 s GLN 111 Cb -0.14 -3.32 -0.02 0.00 -0.22 0.00 0.00 33.01 29.31 2br4 s GLN 111 CO -0.06 0.39 -0.07 0.08 -0.25 0.00 0.00 175.29 175.38 2br4 s VAL 112 N -0.54 3.49 -0.25 1.09 1.01 -0.47 -1.58 120.40 123.16 2br4 s VAL 112 Ca 0.40 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2br4 s VAL 112 Cb -0.23 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.67 2br4 s VAL 112 CO 0.27 0.49 -0.10 -0.63 0.00 0.00 0.00 175.10 175.12 2br4 s ILE 113 N 0.63 2.40 -0.16 2.22 1.01 0.65 -1.06 121.20 126.89 2br4 s ILE 113 Ca -0.04 -1.34 -0.12 0.00 0.00 0.00 0.00 60.65 59.15 2br4 s ILE 113 Cb -0.15 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2br4 s ILE 113 CO 0.03 0.12 0.23 -0.83 0.00 0.00 0.00 174.94 174.49 2br4 s GLY 114 N 1.21 2.16 -0.04 6.18 0.00 -0.17 -0.84 107.32 115.83 2br4 s GLY 114 Ca -0.04 -0.54 0.06 0.00 0.00 0.00 0.00 44.72 44.20 2br4 s GLY 114 CO -0.06 0.23 -0.21 -0.42 0.00 0.00 0.00 173.10 172.64 2br4 s ILE 115 N 0.18 2.43 -0.15 0.90 1.01 0.28 -0.76 121.20 125.09 2br4 s ILE 115 Ca 0.14 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.53 2br4 s ILE 115 Cb -0.12 -1.89 0.11 0.00 0.01 0.00 0.00 42.46 40.57 2br4 s ILE 115 CO 0.02 0.58 0.93 -0.62 0.00 0.00 0.00 174.94 175.85 2br4 s ASP 116 N -0.57 -0.44 0.38 3.58 -1.08 -0.76 0.29 116.67 118.05 2br4 s ASP 116 Ca 0.08 0.53 0.27 0.00 -0.52 0.00 0.00 52.55 52.91 2br4 s ASP 116 Cb -0.11 0.42 0.90 0.00 -1.46 0.00 0.00 42.92 42.67 2br4 s ASP 116 CO 0.00 -0.38 1.78 0.08 0.52 0.00 0.00 175.17 177.17 2br4 h ARG 117 N 2.83 0.00 -2.41 4.34 0.11 -1.76 -1.79 114.38 115.69 2br4 h ARG 117 Ca -0.21 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.49 2br4 h ARG 117 Cb 1.16 0.00 -0.36 0.00 1.11 0.00 0.00 29.97 31.88 2br4 h ARG 117 CO 0.31 0.00 -0.67 0.34 0.10 0.00 0.00 179.97 180.04 2br4 s ASP 118 N -5.19 2.12 0.00 0.08 2.15 -1.26 -4.59 116.67 109.98 2br4 s ASP 118 Ca 0.05 -0.78 0.24 0.00 0.43 0.00 0.00 52.55 52.49 2br4 s ASP 118 Cb 0.09 0.24 0.59 0.00 -0.30 0.00 0.00 42.92 43.54 2br4 s ASP 118 CO 0.55 -0.39 1.48 0.18 -0.17 0.00 0.00 175.17 176.82 2br4 n LEU 119 N 5.30 2.44 0.25 -1.34 4.77 -1.26 -4.30 117.00 122.86 2br4 n LEU 119 Ca -0.04 -0.94 0.12 0.00 -0.03 0.00 0.00 56.01 55.12 2br4 n LEU 119 Cb 0.46 -0.10 0.63 0.00 -2.33 0.00 0.00 43.42 42.08 2br4 n LEU 119 CO 0.03 0.47 0.91 0.77 -1.33 0.00 0.00 177.39 178.24 2br4 h SER 120 N 3.46 0.00 1.37 -1.43 4.64 -1.94 -2.54 113.55 117.10 2br4 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br4 h SER 120 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2br4 h SER 120 CO 0.00 0.16 -0.14 0.03 -0.87 0.00 0.00 176.83 176.01 2br4 h ARG 121 N 0.00 0.00 -6.69 4.77 -0.00 -1.81 -3.46 114.38 107.19 2br4 h ARG 121 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.95 2br4 h ARG 121 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 29.97 30.51 2br4 h ARG 121 CO 0.02 0.00 0.69 0.00 0.00 0.00 0.00 179.97 180.68 2br4 n GLN 123 N 2.65 0.80 -2.10 0.00 6.02 -0.46 -4.99 117.38 119.31 2br4 n GLN 123 Ca 0.07 -1.73 -0.42 0.00 -0.01 0.00 0.00 57.00 54.91 2br4 n GLN 123 Cb 0.42 -0.99 -0.03 0.00 1.02 0.00 0.00 30.24 30.66 2br4 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2br4 s ILE 124 N -1.39 3.02 0.43 5.09 1.01 -1.25 -4.98 121.20 123.12 2br4 s ILE 124 Ca 0.15 0.77 -0.26 0.00 0.00 0.00 0.00 60.65 61.31 2br4 s ILE 124 Cb 0.13 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 2br4 s ILE 124 CO 0.01 0.08 1.40 -2.84 0.00 0.00 0.00 174.94 173.60 2br4 s PRO 125 N 0.65 3.84 0.40 2.79 0.02 -1.26 -4.90 135.00 136.53 2br4 s PRO 125 Ca 0.64 2.37 0.12 0.00 0.02 0.00 0.00 61.00 64.15 2br4 s PRO 125 Cb -0.39 -2.74 0.95 0.00 0.02 0.00 0.00 34.50 32.34 2br4 s PRO 125 CO 0.34 -0.68 1.92 0.00 -0.33 0.00 0.00 177.00 178.25 2br4 h ALA 126 N 2.54 1.98 -0.84 -1.55 0.00 -2.00 -0.64 119.26 118.75 2br4 h ALA 126 Ca -0.50 0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.62 2br4 h ALA 126 Cb 1.26 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2br4 h ALA 126 CO 0.62 -0.17 0.58 0.66 0.00 0.00 0.00 179.25 180.94 2br4 h SER 127 N 0.53 0.18 -0.48 0.00 4.64 -2.03 -2.06 113.55 114.34 2br4 h SER 127 Ca 0.38 0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.45 2br4 h SER 127 Cb 0.71 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 62.63 2br4 h SER 127 CO -0.14 0.07 -0.00 0.47 -0.87 0.00 0.00 176.83 176.36 2br4 n ASP 128 N -4.39 3.00 -0.90 4.97 8.00 -0.25 -4.62 116.55 122.36 2br4 n ASP 128 Ca 0.17 -3.78 0.11 0.00 0.71 0.00 0.00 54.79 52.01 2br4 n ASP 128 Cb 0.78 -0.66 0.27 0.00 -0.02 0.00 0.00 41.12 41.50 2br4 n ASP 128 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2br4 n MET 129 N -1.10 2.18 -1.65 -1.24 2.81 -0.77 -4.87 117.12 112.49 2br4 n MET 129 Ca 0.39 -1.79 -0.53 0.00 -1.81 0.00 0.00 57.70 53.96 2br4 n MET 129 Cb 1.09 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 32.08 2br4 n MET 129 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2br4 n GLU 130 N 1.01 1.31 -2.00 0.03 2.13 -1.26 -1.96 120.64 119.90 2br4 n GLU 130 Ca 0.18 0.47 -0.13 0.00 0.66 0.00 0.00 57.16 58.34 2br4 n GLU 130 Cb 0.49 -2.16 -0.02 0.00 0.27 0.00 0.00 31.44 30.02 2br4 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2br4 n ASN 131 N 3.92 -4.17 -3.96 4.31 4.13 -1.26 -4.99 115.26 113.24 2br4 n ASN 131 Ca 0.21 0.08 -0.29 0.00 1.68 0.00 0.00 54.58 56.27 2br4 n ASN 131 Cb 0.18 -3.20 -0.16 0.00 -1.54 0.00 0.00 39.78 35.06 2br4 n ASN 131 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2br4 s ILE 132 N -2.59 1.36 -0.21 2.41 1.01 -0.83 -1.36 121.20 120.99 2br4 s ILE 132 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 2br4 s ILE 132 Cb 0.00 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2br4 s ILE 132 CO 0.00 0.33 -0.03 -0.89 0.00 0.00 0.00 174.94 174.35 2br4 s THR 133 N 1.55 3.64 -0.05 2.92 2.01 -0.23 -5.01 115.64 120.47 2br4 s THR 133 Ca 0.03 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 2br4 s THR 133 Cb -0.14 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 2br4 s THR 133 CO -0.09 0.43 0.19 -0.76 -0.69 0.00 0.00 174.62 173.69 2br4 s LEU 134 N 1.19 4.38 -0.01 4.42 1.02 -1.26 -1.00 118.68 127.42 2br4 s LEU 134 Ca 0.03 0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.66 2br4 s LEU 134 Cb -0.14 -2.39 -0.00 0.00 0.02 0.00 0.00 46.19 43.68 2br4 s LEU 134 CO 0.00 0.33 -0.08 -1.00 0.02 0.00 0.00 176.35 175.62 2br4 s HIS 135 N -1.18 0.72 -0.17 0.29 3.76 0.06 -4.95 115.29 113.81 2br4 s HIS 135 Ca 0.22 -0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 54.92 2br4 s HIS 135 Cb -0.13 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 2br4 s HIS 135 CO 0.12 -0.03 0.04 -1.14 -0.85 0.00 0.00 174.74 172.87 2br4 s GLN 136 N -0.06 3.87 0.00 1.40 0.74 -1.25 -1.83 119.66 122.52 2br4 s GLN 136 Ca 0.01 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.05 2br4 s GLN 136 Cb -0.04 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.93 2br4 s GLN 136 CO -0.00 0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 2br4 n GLY 137 N 3.44 1.91 3.74 2.59 0.00 -0.67 -4.96 105.19 111.24 2br4 n GLY 137 Ca -0.17 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2br4 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2br4 s ASP 138 N 0.00 7.48 0.38 1.61 3.68 -1.26 -2.40 116.67 126.16 2br4 s ASP 138 Ca 0.00 1.93 0.17 0.00 2.13 0.00 0.00 52.55 56.78 2br4 s ASP 138 Cb 0.00 -2.60 0.74 0.00 -1.45 0.00 0.00 42.92 39.61 2br4 s ASP 138 CO 0.00 -0.04 1.78 0.00 0.13 0.00 0.00 175.17 177.04 2br4 n SER 140 N -3.72 0.48 -3.92 0.00 2.88 -1.26 -4.52 113.62 103.55 2br4 n SER 140 Ca -0.01 0.72 -0.14 0.00 -1.33 0.00 0.00 58.87 58.11 2br4 n SER 140 Cb 0.46 -0.78 -0.14 0.00 -0.75 0.00 0.00 64.21 63.01 2br4 n SER 140 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2br4 s ASP 141 N -3.87 0.33 0.14 -3.46 1.47 -1.23 -4.95 116.67 105.10 2br4 s ASP 141 Ca -0.02 -0.09 0.21 0.00 1.18 0.00 0.00 52.55 53.83 2br4 s ASP 141 Cb 0.05 -0.02 0.86 0.00 -0.34 0.00 0.00 42.92 43.47 2br4 s ASP 141 CO 0.17 0.00 1.65 0.18 0.68 0.00 0.00 175.17 177.85 2br4 n LEU 142 N 2.88 0.39 -0.20 2.11 4.77 -1.26 -3.16 117.00 122.53 2br4 n LEU 142 Ca -0.13 0.58 0.16 0.00 -0.03 0.00 0.00 56.01 56.59 2br4 n LEU 142 Cb 0.59 -0.52 0.50 0.00 -2.33 0.00 0.00 43.42 41.66 2br4 n LEU 142 CO 0.25 -0.37 1.22 0.74 -1.33 0.00 0.00 177.39 177.90 2br4 h THR 143 N 0.00 0.76 -0.88 -5.08 2.02 -1.95 -1.77 112.91 106.01 2br4 h THR 143 Ca 0.00 -0.15 0.15 0.00 0.77 0.00 0.00 66.41 67.18 2br4 h THR 143 Cb 0.37 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 2br4 h THR 143 CO 0.00 0.08 0.57 0.74 0.37 0.00 0.00 175.52 177.28 2br4 h THR 144 N 0.43 0.81 0.00 3.16 2.02 -1.78 -2.65 112.91 114.91 2br4 h THR 144 Ca 0.41 -0.22 -0.20 0.00 0.77 0.00 0.00 66.41 67.17 2br4 h THR 144 Cb 0.94 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2br4 h THR 144 CO -0.14 0.12 -1.51 0.49 0.37 0.00 0.00 175.52 174.84 2br4 n PHE 145 N -4.55 0.96 0.23 3.16 3.01 -0.68 -4.03 117.46 115.55 2br4 n PHE 145 Ca 0.17 0.33 0.11 0.00 1.01 0.00 0.00 57.45 59.06 2br4 n PHE 145 Cb 0.50 -1.10 0.50 0.00 -0.01 0.00 0.00 39.48 39.37 2br4 n PHE 145 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2br4 h GLU 146 N 0.00 0.00 -0.01 -1.08 5.08 -1.26 -2.60 114.58 114.71 2br4 h GLU 146 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2br4 h GLU 146 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2br4 h GLU 146 CO 0.05 0.20 -0.05 0.72 -1.00 0.00 0.00 179.01 178.93 2br4 n HIS 147 N -3.40 0.00 -2.32 4.33 8.25 -1.10 -4.87 115.22 116.11 2br4 n HIS 147 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2br4 n HIS 147 Cb 0.40 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 2br4 n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2br4 s LEU 148 N -2.16 4.39 0.97 2.41 1.43 -0.98 -5.03 118.68 119.70 2br4 s LEU 148 Ca 0.37 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 2br4 s LEU 148 Cb 0.21 -3.59 0.17 0.00 0.03 0.00 0.00 46.19 43.01 2br4 s LEU 148 CO 0.40 -0.52 1.10 -0.13 0.23 0.00 0.00 176.35 177.43 2br4 s ARG 149 N 0.80 0.64 0.39 1.70 1.81 -1.26 -5.00 118.95 118.03 2br4 s ARG 149 Ca 0.60 0.53 -0.26 0.00 -1.72 0.00 0.00 55.73 54.88 2br4 s ARG 149 Cb -0.33 -1.76 -0.09 0.00 -0.45 0.00 0.00 34.95 32.33 2br4 s ARG 149 CO 0.31 -2.59 1.24 -1.83 -0.68 0.00 0.00 175.30 171.75 2br4 s GLU 150 N -5.00 4.07 0.15 3.54 -1.05 -1.26 -5.02 118.70 114.12 2br4 s GLU 150 Ca 0.65 2.01 0.08 0.00 -0.15 0.00 0.00 54.97 57.56 2br4 s GLU 150 Cb -0.18 -2.77 -0.04 0.00 -0.44 0.00 0.00 34.13 30.70 2br4 s GLU 150 CO 0.57 -0.36 -0.19 -1.64 0.95 0.00 0.00 175.26 174.59 2br4 s MET 151 N -2.19 1.22 0.53 -4.83 -1.94 -1.26 -5.14 119.30 105.69 2br4 s MET 151 Ca 0.56 -1.33 -0.16 0.00 -1.71 0.00 0.00 55.69 53.04 2br4 s MET 151 Cb -0.35 -1.33 -0.07 0.00 2.01 0.00 0.00 34.83 35.09 2br4 s MET 151 CO 0.44 0.28 0.99 0.00 -0.01 0.00 0.00 175.02 176.73 2br4 s ALA 152 N -1.82 3.05 0.16 3.03 0.00 -1.26 -5.08 121.76 119.84 2br4 s ALA 152 Ca 0.13 0.18 0.10 0.00 0.00 0.00 0.00 51.96 52.37 2br4 s ALA 152 Cb -0.07 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2br4 s ALA 152 CO 0.06 -0.30 -0.22 -1.01 0.00 0.00 0.00 175.76 174.29 2br4 s HIS 153 N -2.65 2.07 0.96 0.00 3.76 -1.26 -3.98 115.29 114.19 2br4 s HIS 153 Ca 0.59 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.97 2br4 s HIS 153 Cb -0.10 -1.05 0.17 0.00 1.11 0.00 0.00 32.58 32.70 2br4 s HIS 153 CO 0.33 0.38 1.09 -2.14 -0.85 0.00 0.00 174.74 173.56 2br4 s PRO 154 N -2.52 0.72 -0.03 8.40 0.02 -1.26 -4.56 135.00 135.76 2br4 s PRO 154 Ca 0.16 0.60 -0.07 0.00 0.02 0.00 0.00 61.00 61.72 2br4 s PRO 154 Cb -0.08 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.69 2br4 s PRO 154 CO 0.07 -2.56 0.15 -1.17 -0.33 0.00 0.00 177.00 173.17 2br4 s LEU 155 N -6.37 1.46 -0.18 -5.54 0.20 -1.26 -0.71 118.68 106.28 2br4 s LEU 155 Ca 0.65 0.06 0.00 0.00 0.69 0.00 0.00 54.13 55.53 2br4 s LEU 155 Cb -0.18 0.62 0.04 0.00 -0.43 0.00 0.00 46.19 46.24 2br4 s LEU 155 CO 0.57 -0.22 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.71 2br4 s ILE 156 N -0.65 1.37 -0.32 6.68 1.01 -0.96 -1.73 121.20 126.60 2br4 s ILE 156 Ca -0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2br4 s ILE 156 Cb -0.04 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 2br4 s ILE 156 CO 0.01 0.15 0.22 0.12 0.00 0.00 0.00 174.94 175.44 2br4 s PHE 157 N 1.52 3.22 -0.16 3.97 5.36 -0.41 -1.24 117.98 130.24 2br4 s PHE 157 Ca -0.00 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.74 2br4 s PHE 157 Cb -0.16 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.07 2br4 s PHE 157 CO -0.08 -0.34 -0.08 0.42 -1.46 0.00 0.00 175.22 173.68 2br4 s ILE 158 N 1.71 3.40 -0.32 3.12 1.01 0.70 -0.47 121.20 130.36 2br4 s ILE 158 Ca 0.06 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 2br4 s ILE 158 Cb -0.17 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2br4 s ILE 158 CO 0.10 0.49 0.21 -0.62 0.00 0.00 0.00 174.94 175.12 2br4 s ASP 159 N 0.59 5.96 0.00 3.58 3.68 0.84 -0.99 116.67 130.33 2br4 s ASP 159 Ca -0.05 -0.31 0.00 0.00 2.13 0.00 0.00 52.55 54.32 2br4 s ASP 159 Cb -0.15 -2.11 0.00 0.00 -1.45 0.00 0.00 42.92 39.21 2br4 s ASP 159 CO 0.03 -0.17 0.79 0.47 0.13 0.00 0.00 175.17 176.42 2br4 n ASP 160 N 5.07 1.27 -0.12 -0.34 9.92 -0.33 -2.39 116.55 129.63 2br4 n ASP 160 Ca -0.13 -1.61 -0.22 0.00 -0.53 0.00 0.00 54.79 52.29 2br4 n ASP 160 Cb 0.50 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.87 2br4 n ASP 160 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2br4 n ALA 161 N -0.31 1.26 -1.07 2.24 0.00 -1.18 -4.69 120.51 116.77 2br4 n ALA 161 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 2br4 n ALA 161 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 2br4 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2br4 n HIS 162 N -3.65 0.00 -4.34 0.00 8.25 -1.26 -5.03 115.22 109.19 2br4 n HIS 162 Ca -0.46 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.65 2br4 n HIS 162 Cb 0.95 -0.80 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 2br4 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br4 s ALA 163 N -2.06 3.24 -1.47 -1.41 0.00 -1.26 -4.62 121.76 114.18 2br4 s ALA 163 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 2br4 s ALA 163 Cb 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.60 2br4 s ALA 163 CO 0.00 0.46 0.74 -1.71 0.00 0.00 0.00 175.76 175.25 2br4 n ASN 164 N 2.61 -5.57 -0.04 0.00 5.15 -1.26 -4.60 115.26 111.56 2br4 n ASN 164 Ca -0.18 -0.42 -0.12 0.00 -0.60 0.00 0.00 54.58 53.27 2br4 n ASN 164 Cb 0.53 -4.48 -0.06 0.00 -0.53 0.00 0.00 39.78 35.24 2br4 n ASN 164 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2br4 h THR 165 N -1.65 1.22 -0.06 -0.44 2.02 -1.93 -2.39 112.91 109.67 2br4 h THR 165 Ca -0.53 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 2br4 h THR 165 Cb 1.35 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2br4 h THR 165 CO 0.58 0.20 -0.46 -0.26 0.37 0.00 0.00 175.52 175.95 2br4 h PHE 166 N -0.02 0.18 -0.47 3.16 -1.00 -1.98 -0.11 116.94 116.70 2br4 h PHE 166 Ca 0.04 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.68 2br4 h PHE 166 Cb 0.30 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 2br4 h PHE 166 CO 0.02 0.59 -0.05 -0.91 -1.61 0.00 0.00 178.31 176.34 2br4 h ASN 167 N 0.13 0.86 -0.04 2.17 -0.26 -1.95 -1.85 115.58 114.64 2br4 h ASN 167 Ca 0.01 -0.33 -0.07 0.00 -0.56 0.00 0.00 56.30 55.34 2br4 h ASN 167 Cb 0.86 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 2br4 h ASN 167 CO 0.07 0.99 -0.16 0.40 -1.06 0.00 0.00 177.43 177.67 2br4 h ILE 168 N 0.72 1.22 -0.32 2.81 2.04 -0.97 -0.38 117.51 122.63 2br4 h ILE 168 Ca 0.13 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2br4 h ILE 168 Cb 0.58 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2br4 h ILE 168 CO 0.03 0.32 -0.04 -0.03 0.00 0.00 0.00 178.15 178.43 2br4 h MET 169 N 0.35 0.59 -0.54 2.37 4.05 -0.90 0.09 114.93 120.95 2br4 h MET 169 Ca 0.06 -0.21 0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2br4 h MET 169 Cb 0.49 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.19 2br4 h MET 169 CO 0.03 0.75 0.20 -0.22 0.23 0.00 0.00 176.91 177.90 2br4 h LYS 170 N 0.37 0.37 -0.57 0.39 3.64 -0.97 -0.73 116.57 119.07 2br4 h LYS 170 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2br4 h LYS 170 Cb 0.51 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2br4 h LYS 170 CO 0.02 0.25 0.33 2.35 -2.27 0.00 0.00 179.45 180.13 2br4 h TRP 171 N 0.38 0.77 -0.62 1.91 7.01 -0.59 -2.14 115.95 122.67 2br4 h TRP 171 Ca 0.26 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.16 2br4 h TRP 171 Cb 0.29 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 2br4 h TRP 171 CO -0.16 0.54 0.03 0.00 -2.79 0.00 0.00 178.44 176.06 2br4 h ALA 172 N 1.16 0.88 -0.45 2.65 0.00 -0.41 -0.74 119.26 122.34 2br4 h ALA 172 Ca 0.20 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2br4 h ALA 172 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2br4 h ALA 172 CO -0.04 0.67 -0.10 0.28 0.00 0.00 0.00 179.25 180.06 2br4 h VAL 173 N 0.98 1.26 0.00 0.00 2.07 -0.99 0.81 116.25 120.37 2br4 h VAL 173 Ca 0.18 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2br4 h VAL 173 Cb 0.52 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2br4 h VAL 173 CO 0.03 0.40 -0.37 0.47 0.02 0.00 0.00 177.57 178.11 2br4 n ASP 174 N -4.17 0.38 0.00 0.57 8.00 -0.82 -4.51 116.55 116.00 2br4 n ASP 174 Ca 0.02 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2br4 n ASP 174 Cb 0.36 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2br4 n ASP 174 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2br4 n HIS 175 N -1.51 0.00 0.15 1.24 8.25 -0.33 -5.02 115.22 118.00 2br4 n HIS 175 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2br4 n HIS 175 Cb 0.34 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.45 2br4 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br4 n LEU 176 N 0.00 -0.45 -4.75 2.41 7.94 -0.77 -5.02 117.00 116.36 2br4 n LEU 176 Ca 0.00 0.53 -0.41 0.00 -1.11 0.00 0.00 56.01 55.02 2br4 n LEU 176 Cb 0.16 0.65 -0.02 0.00 0.53 0.00 0.00 43.42 44.73 2br4 n LEU 176 CO 0.00 -0.73 1.07 -0.76 -1.11 0.00 0.00 177.39 175.86 2br4 s LEU 177 N -6.98 4.40 0.44 -1.96 1.43 0.21 -5.04 118.68 111.18 2br4 s LEU 177 Ca 0.00 2.66 0.07 0.00 -1.03 0.00 0.00 54.13 55.83 2br4 s LEU 177 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2br4 s LEU 177 CO 0.00 -0.65 0.28 -1.61 0.23 0.00 0.00 176.35 174.59 2br4 s GLU 178 N -0.74 2.32 0.22 1.70 2.02 -1.26 -4.92 118.70 118.04 2br4 s GLU 178 Ca 0.56 -1.81 -0.32 0.00 0.02 0.00 0.00 54.97 53.43 2br4 s GLU 178 Cb -0.41 -2.10 -0.12 0.00 0.10 0.00 0.00 34.13 31.59 2br4 s GLU 178 CO 0.46 -0.25 1.66 -1.91 0.02 0.00 0.00 175.26 175.24 2br4 n GLU 179 N -1.43 2.62 0.00 1.61 0.00 -1.26 -1.90 120.64 120.28 2br4 n GLU 179 Ca -0.00 0.94 0.00 0.00 0.00 0.00 0.00 57.16 58.10 2br4 n GLU 179 Cb 0.64 -2.75 0.00 0.00 0.00 0.00 0.00 31.44 29.33 2br4 n GLU 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2br4 n GLY 180 N 3.38 2.44 3.82 8.31 0.00 -1.26 -4.97 105.19 116.90 2br4 n GLY 180 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2br4 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br4 s ASP 181 N -1.46 5.90 0.01 1.61 1.01 -0.80 -4.65 116.67 118.30 2br4 s ASP 181 Ca 0.00 1.68 0.02 0.00 0.71 0.00 0.00 52.55 54.96 2br4 s ASP 181 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2br4 s ASP 181 CO 0.00 -1.08 -0.01 -0.31 0.21 0.00 0.00 175.17 173.98 2br4 s TYR 182 N -2.70 3.03 -0.23 4.23 1.51 -0.71 -1.00 117.35 121.49 2br4 s TYR 182 Ca 0.60 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 2br4 s TYR 182 Cb -0.14 -1.64 0.06 0.00 -0.11 0.00 0.00 41.96 40.13 2br4 s TYR 182 CO 0.42 0.45 -0.05 0.12 -1.11 0.00 0.00 175.55 175.37 2br4 s PHE 183 N -1.10 2.29 -0.17 2.71 5.36 -0.52 -1.28 117.98 125.26 2br4 s PHE 183 Ca 0.20 -1.67 -0.02 0.00 -0.96 0.00 0.00 56.93 54.48 2br4 s PHE 183 Cb -0.11 -1.54 -0.01 0.00 -0.34 0.00 0.00 43.02 41.01 2br4 s PHE 183 CO 0.11 -0.76 -0.08 0.42 -1.46 0.00 0.00 175.22 173.46 2br4 s ILE 184 N 1.43 3.35 -0.32 3.12 1.01 0.38 -2.56 121.20 127.61 2br4 s ILE 184 Ca -0.05 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2br4 s ILE 184 Cb -0.18 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2br4 s ILE 184 CO -0.06 0.48 0.16 -0.63 0.00 0.00 0.00 174.94 174.88 2br4 s ILE 185 N 0.80 4.56 0.14 2.92 1.01 -0.46 -0.11 121.20 130.06 2br4 s ILE 185 Ca -0.03 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2br4 s ILE 185 Cb -0.15 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 2br4 s ILE 185 CO 0.01 0.00 0.52 -1.61 0.00 0.00 0.00 174.94 173.87 2br4 s GLU 186 N 1.59 3.93 0.00 2.79 2.02 -1.01 -4.42 118.70 123.61 2br4 s GLU 186 Ca 0.04 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.46 2br4 s GLU 186 Cb -0.17 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.13 2br4 s GLU 186 CO 0.06 0.48 0.00 -0.25 0.02 0.00 0.00 175.26 175.57 2br4 n ASP 187 N 0.77 0.00 -0.05 -0.19 8.00 0.12 -4.60 116.55 120.60 2br4 n ASP 187 Ca -0.05 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.39 2br4 n ASP 187 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.48 2br4 n ASP 187 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2br4 n MET 188 N 0.00 0.66 -0.18 -1.24 1.56 -1.26 -4.46 117.12 112.20 2br4 n MET 188 Ca 0.00 0.09 -0.08 0.00 -0.27 0.00 0.00 57.70 57.44 2br4 n MET 188 Cb 0.00 -1.64 0.01 0.00 2.15 0.00 0.00 33.22 33.74 2br4 n MET 188 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2br4 h ILE 189 N 0.00 1.22 -0.59 1.12 2.04 -1.84 -1.02 117.51 118.44 2br4 h ILE 189 Ca -0.36 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 64.89 2br4 h ILE 189 Cb 1.95 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.66 2br4 h ILE 189 CO 0.04 0.26 0.25 -0.65 0.00 0.00 0.00 178.15 178.05 2br4 h PRO 190 N 0.70 0.45 -0.55 2.37 0.11 -1.79 -2.33 132.00 130.96 2br4 h PRO 190 Ca 0.17 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 2br4 h PRO 190 Cb 0.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2br4 h PRO 190 CO -0.01 0.30 0.02 1.88 -0.21 0.00 0.00 178.00 179.97 2br4 h TYR 191 N 0.46 1.04 -0.16 0.65 -1.99 -1.61 -2.47 116.97 112.89 2br4 h TYR 191 Ca 0.28 -0.17 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 2br4 h TYR 191 Cb 0.30 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 2br4 h TYR 191 CO -0.14 0.94 -0.37 -1.49 -0.00 0.00 0.00 178.16 177.10 2br4 h TRP 192 N 0.84 0.39 -0.55 4.88 6.55 -1.07 -1.30 115.95 125.69 2br4 h TRP 192 Ca 0.16 -0.10 -0.10 0.00 0.95 0.00 0.00 58.89 59.80 2br4 h TRP 192 Cb 0.51 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.70 2br4 h TRP 192 CO 0.04 0.66 -0.04 -0.92 -1.05 0.00 0.00 178.44 177.13 2br4 h TYR 193 N 0.29 1.07 -0.08 0.49 3.20 -1.32 -0.67 116.97 119.94 2br4 h TYR 193 Ca 0.03 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2br4 h TYR 193 Cb 0.78 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 2br4 h TYR 193 CO 0.02 0.97 -0.02 -0.09 -1.64 0.00 0.00 178.16 177.40 2br4 h ARG 194 N 0.89 0.16 0.13 1.82 2.43 -1.01 -2.02 114.38 116.78 2br4 h ARG 194 Ca 0.15 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 58.99 2br4 h ARG 194 Cb 0.58 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2br4 h ARG 194 CO 0.03 0.47 -1.26 1.88 -1.51 0.00 0.00 179.97 179.58 2br4 h TYR 195 N -0.16 0.49 -2.04 2.20 0.99 -1.29 -3.40 116.97 113.76 2br4 h TYR 195 Ca 0.02 -0.36 -0.56 0.00 2.00 0.00 0.00 58.73 59.83 2br4 h TYR 195 Cb 0.41 -0.02 -0.39 0.00 1.00 0.00 0.00 36.73 37.73 2br4 h TYR 195 CO 0.05 1.29 -1.08 0.00 -0.00 0.00 0.00 178.16 178.41 2br4 n ALA 196 N -2.54 2.52 0.01 3.88 0.00 -0.26 -4.98 120.51 119.13 2br4 n ALA 196 Ca -0.09 -3.41 0.01 0.00 0.00 0.00 0.00 53.44 49.95 2br4 n ALA 196 Cb 1.03 -0.81 0.33 0.00 0.00 0.00 0.00 19.45 20.00 2br4 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br4 h PRO 197 N 4.16 0.51 0.08 0.00 0.13 -1.47 -1.52 132.00 133.89 2br4 h PRO 197 Ca 0.09 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2br4 h PRO 197 Cb 0.88 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2br4 h PRO 197 CO 0.46 0.49 -0.04 0.37 -0.23 0.00 0.00 178.00 179.06 2br4 h GLN 198 N 0.50 -0.11 -0.31 0.86 4.15 -1.92 -1.96 115.11 116.33 2br4 h GLN 198 Ca 0.12 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 2br4 h GLN 198 Cb 0.23 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2br4 h GLN 198 CO 0.00 0.44 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.11 2br4 h LEU 199 N -0.85 0.54 -0.31 -2.39 3.38 -1.96 -2.59 115.31 111.14 2br4 h LEU 199 Ca -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2br4 h LEU 199 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2br4 h LEU 199 CO 0.02 0.72 0.07 0.15 0.09 0.00 0.00 178.44 179.49 2br4 h PHE 200 N 0.50 0.52 -0.43 1.13 3.57 -1.32 -0.94 116.94 119.97 2br4 h PHE 200 Ca 0.09 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2br4 h PHE 200 Cb 0.56 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2br4 h PHE 200 CO 0.02 0.56 0.27 0.77 -2.23 0.00 0.00 178.31 177.70 2br4 h SER 201 N 0.33 0.50 -0.19 0.41 0.02 -1.28 -1.21 113.55 112.13 2br4 h SER 201 Ca 0.10 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2br4 h SER 201 Cb 0.31 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2br4 h SER 201 CO 0.00 0.38 0.11 -0.08 -1.14 0.00 0.00 176.83 176.11 2br4 h GLU 202 N 0.57 0.26 -0.07 3.45 4.81 -1.39 -0.78 114.58 121.43 2br4 h GLU 202 Ca 0.15 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2br4 h GLU 202 Cb -0.04 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2br4 h GLU 202 CO -0.03 0.22 0.02 1.88 -0.73 0.00 0.00 179.01 180.37 2br4 h TYR 203 N 0.22 0.11 -0.30 0.92 0.99 -0.95 -0.33 116.97 117.63 2br4 h TYR 203 Ca 0.07 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 2br4 h TYR 203 Cb 0.03 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.71 2br4 h TYR 203 CO -0.05 0.27 -0.20 1.25 -0.00 0.00 0.00 178.16 179.42 2br4 h LEU 204 N -0.07 0.57 -0.44 3.88 6.46 -1.24 -2.76 115.31 121.70 2br4 h LEU 204 Ca 0.02 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2br4 h LEU 204 Cb 0.21 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2br4 h LEU 204 CO -0.00 0.77 0.00 1.23 -0.62 0.00 0.00 178.44 179.82 2br4 h GLY 205 N 0.99 0.00 2.00 3.75 0.00 -0.85 -2.64 103.07 106.32 2br4 h GLY 205 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2br4 h GLY 205 CO 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.53 2br4 h ALA 206 N 2.23 1.16 -0.51 3.60 0.00 -0.75 -2.74 119.26 122.26 2br4 h ALA 206 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2br4 h ALA 206 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2br4 h ALA 206 CO 0.00 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.50 2br4 n PHE 207 N -3.38 1.14 0.22 0.00 3.01 -1.00 -4.67 117.46 112.77 2br4 n PHE 207 Ca -0.02 -0.46 0.07 0.00 1.01 0.00 0.00 57.45 58.05 2br4 n PHE 207 Cb 0.19 -0.19 0.57 0.00 -0.01 0.00 0.00 39.48 40.04 2br4 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br4 h ARG 208 N 3.18 0.07 -0.00 -1.08 0.11 -1.64 -1.94 114.38 113.07 2br4 h ARG 208 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2br4 h ARG 208 Cb 1.16 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2br4 h ARG 208 CO 0.17 0.11 -0.17 -0.25 0.10 0.00 0.00 179.97 179.93 2br4 n ASP 209 N -4.46 0.23 0.00 0.08 8.00 -1.26 -4.38 116.55 114.76 2br4 n ASP 209 Ca -0.02 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2br4 n ASP 209 Cb 0.14 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2br4 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br4 n VAL 210 N -1.40 0.00 -4.34 2.53 0.24 -0.94 -5.07 118.33 109.35 2br4 n VAL 210 Ca 0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.14 2br4 n VAL 210 Cb 0.32 -0.65 -0.12 0.00 -1.47 0.00 0.00 33.84 31.93 2br4 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br4 s LEU 211 N -3.03 2.39 0.02 1.34 1.43 -0.77 -4.33 118.68 115.73 2br4 s LEU 211 Ca 0.00 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 2br4 s LEU 211 Cb 0.00 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2br4 s LEU 211 CO 0.00 0.04 -0.03 -0.94 0.23 0.00 0.00 176.35 175.64 2br4 s SER 212 N -2.41 0.34 -0.12 2.29 1.04 -0.48 -4.58 113.70 109.77 2br4 s SER 212 Ca 0.14 -0.36 -0.29 0.00 0.48 0.00 0.00 55.95 55.91 2br4 s SER 212 Cb -0.08 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 2br4 s SER 212 CO 0.06 -0.18 1.31 -0.32 0.98 0.00 0.00 173.24 175.09 2br4 s MET 213 N -1.03 4.25 -0.63 4.02 1.75 -1.26 -1.55 119.30 124.85 2br4 s MET 213 Ca -0.10 1.75 -0.27 0.00 -1.25 0.00 0.00 55.69 55.83 2br4 s MET 213 Cb -0.07 -3.74 0.04 0.00 2.84 0.00 0.00 34.83 33.89 2br4 s MET 213 CO -0.00 -0.67 1.15 0.34 -0.65 0.00 0.00 175.02 175.18 2br4 s ASP 214 N 2.05 6.32 0.49 1.11 -1.08 -0.41 -4.89 116.67 120.27 2br4 s ASP 214 Ca 0.58 -0.24 0.28 0.00 -0.52 0.00 0.00 52.55 52.65 2br4 s ASP 214 Cb -0.24 -2.52 1.02 0.00 -1.46 0.00 0.00 42.92 39.72 2br4 s ASP 214 CO 0.18 -1.53 1.86 0.24 0.52 0.00 0.00 175.17 176.44 2br4 h MET 215 N 9.64 0.00 -0.16 4.34 2.86 -1.93 -0.59 114.93 129.09 2br4 h MET 215 Ca -0.26 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 2br4 h MET 215 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2br4 h MET 215 CO 1.19 0.08 -0.06 1.25 1.06 0.00 0.00 176.91 180.44 2br4 h LEU 216 N 0.00 0.22 0.00 1.22 5.85 -1.99 -3.31 115.31 117.30 2br4 h LEU 216 Ca -0.00 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2br4 h LEU 216 Cb 0.69 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2br4 h LEU 216 CO 0.01 0.32 -1.39 -1.22 -0.34 0.00 0.00 178.44 175.82 2br4 n TYR 217 N -4.34 0.00 0.22 1.25 0.53 -1.00 -4.77 117.16 109.05 2br4 n TYR 217 Ca -0.01 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.95 2br4 n TYR 217 Cb 0.21 -0.19 0.49 0.00 -1.03 0.00 0.00 39.34 38.82 2br4 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br4 h ALA 218 N 0.77 1.23 -0.40 -0.72 0.00 -1.21 -2.80 119.26 116.14 2br4 h ALA 218 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2br4 h ALA 218 Cb 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2br4 h ALA 218 CO 0.00 0.33 0.04 0.09 0.00 0.00 0.00 179.25 179.71 2br4 n ASN 219 N -3.74 4.14 -0.23 0.00 3.02 -1.26 -1.52 115.26 115.67 2br4 n ASN 219 Ca -0.01 -3.14 0.08 0.00 -0.03 0.00 0.00 54.58 51.48 2br4 n ASN 219 Cb 0.37 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 2br4 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br4 n ALA 220 N -0.37 3.57 -3.29 5.41 0.00 -1.06 -4.96 120.51 119.81 2br4 n ALA 220 Ca 0.27 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 2br4 n ALA 220 Cb 1.04 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2br4 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2br4 s SER 221 N -2.18 -0.38 0.45 0.00 0.15 -1.26 -4.80 113.70 105.67 2br4 s SER 221 Ca 0.11 0.64 0.25 0.00 0.70 0.00 0.00 55.95 57.65 2br4 s SER 221 Cb 0.13 0.69 0.73 0.00 -1.71 0.00 0.00 66.02 65.87 2br4 s SER 221 CO 0.52 -0.22 1.75 0.77 1.20 0.00 0.00 173.24 177.25 2br4 h SER 222 N 5.05 0.00 0.83 5.45 4.64 -1.94 -1.60 113.55 125.98 2br4 h SER 222 Ca -0.27 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.81 2br4 h SER 222 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2br4 h SER 222 CO 0.29 0.12 -1.16 1.56 -0.87 0.00 0.00 176.83 176.77 2br4 h GLN 223 N 0.00 0.08 -0.44 4.77 4.20 -1.97 -3.31 115.11 118.45 2br4 h GLN 223 Ca -0.00 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2br4 h GLN 223 Cb 0.85 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2br4 h GLN 223 CO 0.02 1.01 0.00 1.28 -0.67 0.00 0.00 178.83 180.47 2br4 n LEU 224 N -3.37 3.25 -4.55 1.46 4.77 -1.17 0.12 117.00 117.51 2br4 n LEU 224 Ca -0.05 -1.47 -0.47 0.00 -0.03 0.00 0.00 56.01 54.00 2br4 n LEU 224 Cb 0.98 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 2br4 n LEU 224 CO 0.49 0.73 1.78 -0.67 -1.33 0.00 0.00 177.39 178.39 2br4 n ASP 225 N 1.33 2.81 -1.24 -1.43 2.03 -0.61 -1.43 116.55 118.01 2br4 n ASP 225 Ca 0.20 0.41 -0.14 0.00 0.52 0.00 0.00 54.79 55.78 2br4 n ASP 225 Cb 0.56 -1.40 -0.05 0.00 -0.72 0.00 0.00 41.12 39.51 2br4 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br4 n ARG 226 N 8.20 -1.03 -0.17 -0.67 1.74 -0.58 -4.50 116.66 119.66 2br4 n ARG 226 Ca 0.34 0.91 0.04 0.00 -0.77 0.00 0.00 57.85 58.37 2br4 n ARG 226 Cb 0.33 -5.06 0.06 0.00 -1.02 0.00 0.00 32.46 26.77 2br4 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 227 N -1.18 2.36 3.42 -0.13 0.00 -0.52 -4.97 105.19 104.18 2br4 n GLY 227 Ca -0.15 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 2br4 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br4 s VAL 228 N -1.38 5.05 0.29 1.61 1.01 -1.25 -1.36 120.40 124.38 2br4 s VAL 228 Ca 0.13 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.48 2br4 s VAL 228 Cb 0.12 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2br4 s VAL 228 CO 0.01 -0.68 -0.11 -0.76 0.00 0.00 0.00 175.10 173.56 2br4 s LEU 229 N 2.15 2.80 0.26 3.92 1.43 -1.06 -1.28 118.68 126.90 2br4 s LEU 229 Ca 0.10 -0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 2br4 s LEU 229 Cb -0.21 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.76 2br4 s LEU 229 CO 0.10 -0.04 0.64 0.00 0.23 0.00 0.00 176.35 177.27 2br4 s ARG 230 N -3.59 1.67 0.00 1.70 1.70 -0.59 -1.44 118.95 118.39 2br4 s ARG 230 Ca 0.31 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 2br4 s ARG 230 Cb -0.04 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2br4 s ARG 230 CO 0.17 -0.74 0.00 0.54 -1.08 0.00 0.00 175.30 174.19