#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 0.55 -0.49 1.20 1.82 -2.03 -3.10 116.42 114.37 2br4 h ASP 3 Ca 0.00 -0.35 -0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2br4 h ASP 3 Cb 0.00 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 2br4 h ASP 3 CO 0.00 1.10 0.31 0.10 -1.61 0.00 0.00 179.24 179.13 2br4 h TYR 4 N 0.32 0.64 -0.76 0.28 -0.00 -2.06 -2.65 116.97 112.73 2br4 h TYR 4 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.68 2br4 h TYR 4 Cb 1.30 -0.21 -0.04 0.00 0.00 0.00 0.00 36.73 37.78 2br4 h TYR 4 CO 0.05 0.42 0.38 0.77 -0.00 0.00 0.00 178.16 179.78 2br4 h SER 5 N 0.68 0.98 1.66 0.10 0.02 -2.05 -2.79 113.55 112.15 2br4 h SER 5 Ca 0.18 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2br4 h SER 5 Cb -0.04 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2br4 h SER 5 CO -0.04 0.82 -0.19 0.03 -1.14 0.00 0.00 176.83 176.31 2br4 h ARG 6 N 1.08 0.00 -6.50 3.45 3.08 -1.55 -3.47 114.38 110.46 2br4 h ARG 6 Ca 0.27 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.79 2br4 h ARG 6 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2br4 h ARG 6 CO -0.04 0.19 -0.11 -0.65 -1.07 0.00 0.00 179.97 178.30 2br4 s GLN 7 N -3.20 3.70 -0.15 0.04 -0.21 -1.06 -5.10 119.66 113.70 2br4 s GLN 7 Ca 0.05 0.14 0.02 0.00 0.02 0.00 0.00 55.36 55.59 2br4 s GLN 7 Cb 0.07 -2.62 0.01 0.00 1.00 0.00 0.00 33.01 31.46 2br4 s GLN 7 CO 0.68 0.23 -0.21 1.21 -2.12 0.00 0.00 175.29 175.08 2br4 s ASN 8 N -2.88 3.20 -0.16 5.90 3.04 -1.26 -4.99 114.94 117.79 2br4 s ASN 8 Ca 0.46 -0.59 -0.11 0.00 0.04 0.00 0.00 52.86 52.66 2br4 s ASN 8 Cb -0.11 -1.47 -0.05 0.00 -1.54 0.00 0.00 41.25 38.09 2br4 s ASN 8 CO 0.27 0.07 0.21 -0.36 -3.04 0.00 0.00 177.10 174.25 2br4 s PHE 9 N 0.86 3.49 0.58 0.43 0.40 -1.26 -5.08 117.98 117.41 2br4 s PHE 9 Ca -0.06 0.51 -0.18 0.00 -0.60 0.00 0.00 56.93 56.60 2br4 s PHE 9 Cb -0.15 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 2br4 s PHE 9 CO -0.03 0.39 1.13 -0.51 0.70 0.00 0.00 175.22 176.90 2br4 s LEU 10 N -0.00 3.62 -0.27 -0.37 1.43 -1.26 -4.97 118.68 116.86 2br4 s LEU 10 Ca 0.13 2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 2br4 s LEU 10 Cb -0.12 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.52 2br4 s LEU 10 CO 0.02 -1.38 1.37 -0.62 0.23 0.00 0.00 176.35 175.97 2br4 s ASP 11 N -2.03 6.64 0.09 2.29 -1.08 -1.26 -4.89 116.67 116.43 2br4 s ASP 11 Ca 0.71 1.35 0.16 0.00 -0.52 0.00 0.00 52.55 54.26 2br4 s ASP 11 Cb -0.23 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.39 2br4 s ASP 11 CO 0.32 -1.08 1.51 0.18 0.52 0.00 0.00 175.17 176.62 2br4 n LEU 12 N 7.68 0.22 0.30 -1.34 4.32 -1.26 -1.54 117.00 125.38 2br4 n LEU 12 Ca 0.15 0.56 0.19 0.00 -0.02 0.00 0.00 56.01 56.89 2br4 n LEU 12 Cb 0.46 -0.53 0.93 0.00 -1.62 0.00 0.00 43.42 42.66 2br4 n LEU 12 CO 0.63 -0.39 1.08 0.78 -1.22 0.00 0.00 177.39 178.27 2br4 h ASN 13 N 0.00 0.00 -0.39 -1.43 2.35 -2.00 -2.47 115.58 111.63 2br4 h ASN 13 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 2br4 h ASN 13 Cb 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2br4 h ASN 13 CO 0.00 0.02 0.46 -0.07 -1.65 0.00 0.00 177.43 176.19 2br4 h LEU 14 N 0.00 0.00 -2.99 1.61 4.07 -1.69 -2.16 115.31 114.16 2br4 h LEU 14 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2br4 h LEU 14 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2br4 h LEU 14 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 2br4 n PHE 15 N -3.62 0.67 -1.61 1.13 3.01 -0.93 -4.94 117.46 111.16 2br4 n PHE 15 Ca 0.07 -0.60 -0.47 0.00 1.01 0.00 0.00 57.45 57.46 2br4 n PHE 15 Cb 0.63 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.94 2br4 n PHE 15 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2br4 n ARG 16 N 0.35 1.93 -0.79 -1.08 0.00 -0.81 -1.33 116.66 114.92 2br4 n ARG 16 Ca 0.15 0.64 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 2br4 n ARG 16 Cb 0.58 -2.77 0.00 0.00 0.00 0.00 0.00 32.46 30.26 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 5.23 0.36 0.48 5.14 0.00 -1.26 -4.81 105.19 110.33 2br4 n GLY 17 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 1.48 0.00 0.99 4.77 -0.44 -5.10 117.00 118.70 2br4 n LEU 18 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2br4 n LEU 18 Cb 0.08 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2br4 n LEU 18 CO 0.00 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 2br4 n GLY 19 N 2.19 2.22 0.16 -0.72 0.00 -1.00 -4.89 105.19 103.15 2br4 n GLY 19 Ca -0.15 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 43.82 2br4 n GLY 19 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2br4 h GLU 20 N 0.00 0.00 -3.25 1.61 5.08 -1.98 -3.44 114.58 112.61 2br4 h GLU 20 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 2br4 h GLU 20 Cb 0.00 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 2br4 h GLU 20 CO 0.00 0.29 -0.74 0.34 -1.00 0.00 0.00 179.01 177.90 2br4 s ASP 21 N -6.29 1.37 0.55 1.42 -1.08 -1.26 -5.02 116.67 106.37 2br4 s ASP 21 Ca 0.04 -0.05 0.33 0.00 -0.52 0.00 0.00 52.55 52.35 2br4 s ASP 21 Cb 0.07 -0.15 1.49 0.00 -1.46 0.00 0.00 42.92 42.87 2br4 s ASP 21 CO 0.72 -0.27 2.04 1.55 0.52 0.00 0.00 175.17 179.73 2br4 h PRO 22 N 8.43 0.00 -7.00 4.34 0.13 -1.90 -3.43 132.00 132.57 2br4 h PRO 22 Ca -0.13 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.51 2br4 h PRO 22 Cb 1.13 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.30 2br4 h PRO 22 CO 0.18 0.05 0.45 0.00 -0.23 0.00 0.00 178.00 178.45 2br4 s ALA 23 N -3.82 2.98 0.11 -0.56 0.00 -1.26 -4.39 121.76 114.81 2br4 s ALA 23 Ca -0.01 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 2br4 s ALA 23 Cb 0.10 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 2br4 s ALA 23 CO 0.54 -0.49 0.87 -0.47 0.00 0.00 0.00 175.76 176.21 2br4 s TYR 24 N -1.64 3.81 -0.06 0.00 5.04 -1.26 -4.88 117.35 118.37 2br4 s TYR 24 Ca 0.63 1.68 -0.00 0.00 -2.44 0.00 0.00 57.07 56.94 2br4 s TYR 24 Cb -0.25 -2.94 0.02 0.00 0.35 0.00 0.00 41.96 39.15 2br4 s TYR 24 CO 0.30 0.29 -0.02 -1.01 -1.34 0.00 0.00 175.55 173.77 2br4 s HIS 25 N -0.25 0.71 0.45 4.97 3.76 -1.26 -5.01 115.29 118.66 2br4 s HIS 25 Ca 0.42 -0.20 -0.25 0.00 -0.15 0.00 0.00 55.06 54.89 2br4 s HIS 25 Cb -0.23 -0.73 -0.09 0.00 1.11 0.00 0.00 32.58 32.65 2br4 s HIS 25 CO 0.27 -0.26 1.34 -2.30 -0.85 0.00 0.00 174.74 172.94 2br4 n PRO 26 N 4.57 2.03 -1.63 8.40 -0.02 -1.26 -4.95 135.00 142.14 2br4 n PRO 26 Ca -0.17 0.73 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 2br4 n PRO 26 Cb 0.50 -2.50 0.04 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.16 1.11 -4.49 0.52 -0.02 -1.26 -5.04 135.00 125.66 2br4 n PRO 27 Ca 0.06 0.42 -0.21 0.00 -2.02 0.00 0.00 63.50 61.75 2br4 n PRO 27 Cb 0.41 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.43 1.05 0.32 -1.45 1.01 -1.26 -5.14 120.40 113.49 2br4 s VAL 28 Ca 0.72 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 2br4 s VAL 28 Cb -0.45 -0.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.93 2br4 s VAL 28 CO 0.50 0.17 0.94 -0.76 0.00 0.00 0.00 175.10 175.95 2br4 s LEU 29 N -0.63 4.34 0.00 3.92 1.02 -1.26 -4.90 118.68 121.17 2br4 s LEU 29 Ca 0.04 1.83 0.00 0.00 0.02 0.00 0.00 54.13 56.01 2br4 s LEU 29 Cb -0.06 -4.01 0.00 0.00 0.02 0.00 0.00 46.19 42.14 2br4 s LEU 29 CO 0.00 -0.07 0.00 0.35 0.02 0.00 0.00 176.35 176.66 2br4 n THR 30 N 0.56 0.00 -0.41 5.49 -2.24 -1.26 -4.82 114.28 111.59 2br4 n THR 30 Ca 0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 2br4 n THR 30 Cb 0.50 -0.95 0.14 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.93 2.90 -3.65 3.42 5.75 -1.26 -5.02 116.55 116.76 2br4 n ASP 31 Ca 0.00 -2.34 -0.10 0.00 -0.01 0.00 0.00 54.79 52.34 2br4 n ASP 31 Cb 0.47 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.25 2br4 n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2br4 s ARG 32 N -1.60 1.16 0.46 0.11 3.00 -1.26 -5.14 118.95 115.69 2br4 s ARG 32 Ca 0.23 -0.73 -0.22 0.00 0.00 0.00 0.00 55.73 55.01 2br4 s ARG 32 Cb 0.16 0.49 -0.08 0.00 0.00 0.00 0.00 34.95 35.52 2br4 s ARG 32 CO 0.10 -0.47 1.11 -1.25 0.00 0.00 0.00 175.30 174.79 2br4 s PRO 33 N -3.82 3.79 0.21 3.54 0.04 -1.26 -4.87 135.00 132.62 2br4 s PRO 33 Ca 0.05 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 2br4 s PRO 33 Cb 0.01 -2.31 0.17 0.00 0.04 0.00 0.00 34.50 32.40 2br4 s PRO 33 CO -0.10 -0.49 1.58 -0.09 0.04 0.00 0.00 177.00 177.94 2br4 h ARG 34 N 1.92 0.66 -3.92 4.56 2.43 -2.01 -3.38 114.38 114.63 2br4 h ARG 34 Ca -0.49 -0.33 -0.77 0.00 -0.81 0.00 0.00 59.98 57.58 2br4 h ARG 34 Cb 1.24 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 30.53 2br4 h ARG 34 CO 0.60 0.93 -0.06 -0.51 -1.51 0.00 0.00 179.97 179.42 2br4 s ASP 35 N -6.84 6.42 -0.03 -3.80 1.01 -1.26 -5.04 116.67 107.13 2br4 s ASP 35 Ca -0.08 -2.40 -0.29 0.00 0.71 0.00 0.00 52.55 50.49 2br4 s ASP 35 Cb 0.12 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 2br4 s ASP 35 CO 0.84 -0.65 0.94 0.86 0.21 0.00 0.00 175.17 177.37 2br4 s TRP 36 N 0.64 3.62 0.26 4.23 -0.11 -1.26 -5.02 118.94 121.29 2br4 s TRP 36 Ca 0.13 1.61 -0.30 0.00 1.22 0.00 0.00 56.10 58.76 2br4 s TRP 36 Cb -0.18 -3.09 -0.09 0.00 -1.50 0.00 0.00 33.47 28.62 2br4 s TRP 36 CO -0.05 -0.04 1.15 -1.25 -4.62 0.00 0.00 176.95 172.14 2br4 s PRO 37 N 1.18 4.57 0.34 5.86 0.04 -1.26 -4.95 135.00 140.79 2br4 s PRO 37 Ca 0.49 1.86 0.18 0.00 0.04 0.00 0.00 61.00 63.58 2br4 s PRO 37 Cb -0.20 -3.19 0.27 0.00 0.04 0.00 0.00 34.50 31.42 2br4 s PRO 37 CO 0.25 0.09 1.55 -0.07 0.04 0.00 0.00 177.00 178.85 2br4 h LEU 38 N 4.19 0.00 -1.85 -3.56 4.07 -1.99 -2.52 115.31 113.65 2br4 h LEU 38 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2br4 h LEU 38 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2br4 h LEU 38 CO 0.69 0.34 0.00 -2.24 -1.08 0.00 0.00 178.44 176.15 2br4 h ASP 39 N 0.00 0.00 -0.41 -0.43 2.03 -2.05 -2.67 116.42 112.89 2br4 h ASP 39 Ca -0.00 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.02 2br4 h ASP 39 Cb 1.19 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.49 2br4 h ASP 39 CO 0.04 0.00 -0.45 0.54 -1.03 0.00 0.00 179.24 178.35 2br4 n ARG 40 N -2.80 2.44 -0.25 4.15 1.74 -0.95 -4.85 116.66 116.13 2br4 n ARG 40 Ca -0.01 -3.60 -0.07 0.00 -0.77 0.00 0.00 57.85 53.41 2br4 n ARG 40 Cb 0.17 -1.94 0.05 0.00 -1.02 0.00 0.00 32.46 29.71 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 1.48 1.07 -0.86 -1.55 7.01 -1.45 -2.77 115.95 118.88 2br4 h TRP 41 Ca 0.22 -0.09 0.11 0.00 2.11 0.00 0.00 58.89 61.24 2br4 h TRP 41 Cb 1.33 -0.32 -0.06 0.00 -2.10 0.00 0.00 29.16 28.01 2br4 h TRP 41 CO 0.90 0.83 0.56 0.00 -2.79 0.00 0.00 178.44 177.94 2br4 h ALA 42 N 1.12 1.72 -0.00 2.65 0.00 -1.89 -2.82 119.26 120.04 2br4 h ALA 42 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2br4 h ALA 42 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2br4 h ALA 42 CO -0.02 0.10 -0.03 0.39 0.00 0.00 0.00 179.25 179.69 2br4 n GLU 43 N -4.53 0.77 -2.42 0.00 4.71 -1.04 -4.90 120.64 113.22 2br4 n GLU 43 Ca 0.15 -0.11 -0.41 0.00 -0.01 0.00 0.00 57.16 56.78 2br4 n GLU 43 Cb 0.35 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.24 2br4 n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2br4 s ALA 44 N -2.31 3.42 0.58 0.62 0.00 -1.07 -4.99 121.76 118.01 2br4 s ALA 44 Ca 0.36 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 53.08 2br4 s ALA 44 Cb 0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2br4 s ALA 44 CO 0.42 -0.25 1.17 -1.25 0.00 0.00 0.00 175.76 175.85 2br4 s PRO 45 N -1.23 3.10 -0.02 0.00 0.04 -1.26 -4.97 135.00 130.66 2br4 s PRO 45 Ca 0.47 1.72 0.18 0.00 0.04 0.00 0.00 61.00 63.41 2br4 s PRO 45 Cb -0.33 -1.96 -0.27 0.00 0.04 0.00 0.00 34.50 31.98 2br4 s PRO 45 CO 0.41 -1.08 0.46 0.54 0.04 0.00 0.00 177.00 177.38 2br4 n ARG 46 N -1.53 0.64 -1.18 4.56 5.12 -1.26 -4.98 116.66 118.03 2br4 n ARG 46 Ca 0.13 -0.14 -0.30 0.00 -1.93 0.00 0.00 57.85 55.61 2br4 n ARG 46 Cb 0.50 -1.42 0.14 0.00 -1.16 0.00 0.00 32.46 30.52 2br4 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br4 s ASP 47 N -3.89 3.48 0.25 0.55 3.84 -1.26 -4.95 116.67 114.69 2br4 s ASP 47 Ca -0.05 1.53 -0.04 0.00 -0.00 0.00 0.00 52.55 53.99 2br4 s ASP 47 Cb 0.12 -2.21 0.37 0.00 -1.38 0.00 0.00 42.92 39.82 2br4 s ASP 47 CO 0.76 -2.64 1.85 0.25 -0.00 0.00 0.00 175.17 175.40 2br4 h LEU 48 N -1.55 0.87 0.00 2.11 5.85 -2.03 -3.46 115.31 117.10 2br4 h LEU 48 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2br4 h LEU 48 Cb 1.28 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2br4 h LEU 48 CO 0.54 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.80 2br4 n GLY 49 N -1.34 0.74 3.80 3.75 0.00 -1.26 -5.05 105.19 105.83 2br4 n GLY 49 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.21 -0.08 0.11 1.61 -0.85 -1.26 -4.57 117.35 110.10 2br4 s TYR 50 Ca 0.00 -0.29 -0.31 0.00 -0.52 0.00 0.00 57.07 55.95 2br4 s TYR 50 Cb 0.00 0.68 -0.10 0.00 0.38 0.00 0.00 41.96 42.92 2br4 s TYR 50 CO 0.00 -0.95 1.78 0.45 -1.52 0.00 0.00 175.55 175.30 2br4 s SER 51 N -3.03 6.47 -0.04 -0.18 0.15 -1.26 -4.90 113.70 110.91 2br4 s SER 51 Ca 0.14 2.68 0.08 0.00 0.70 0.00 0.00 55.95 59.55 2br4 s SER 51 Cb -0.02 -2.57 0.28 0.00 -1.71 0.00 0.00 66.02 62.00 2br4 s SER 51 CO 0.04 -0.97 1.12 -0.90 1.20 0.00 0.00 173.24 173.73 2br4 n ASP 52 N 5.62 2.09 0.00 5.45 5.75 -1.26 -4.66 116.55 129.54 2br4 n ASP 52 Ca 0.17 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2br4 n ASP 52 Cb 0.39 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.31 0.00 -3.10 2.11 -0.00 -1.26 -4.52 117.46 111.00 2br4 n PHE 53 Ca 0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.36 2br4 n PHE 53 Cb 0.40 -0.44 -0.04 0.00 -0.00 0.00 0.00 39.48 39.40 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 -2.07 -1.04 -1.02 -2.13 2.88 -1.26 -5.00 113.62 103.99 2br4 n SER 54 Ca 0.00 -2.77 0.06 0.00 -1.33 0.00 0.00 58.87 54.83 2br4 n SER 54 Cb 0.00 0.17 0.22 0.00 -0.75 0.00 0.00 64.21 63.85 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 1.97 2.51 -3.68 -1.46 -0.04 -1.26 -4.92 135.00 128.12 2br4 n PRO 55 Ca 0.20 -1.75 -0.33 0.00 -0.04 0.00 0.00 63.50 61.58 2br4 n PRO 55 Cb 0.54 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.62 3.52 0.24 0.54 1.51 -1.26 -4.95 117.35 115.33 2br4 s TYR 56 Ca 0.32 0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 56.96 2br4 s TYR 56 Cb 0.19 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2br4 s TYR 56 CO 0.17 0.49 0.21 1.14 -1.11 0.00 0.00 175.55 176.46 2br4 s GLN 57 N -2.33 1.38 -0.24 -0.62 -2.07 -1.26 -0.67 119.66 113.85 2br4 s GLN 57 Ca 0.36 -1.67 -0.03 0.00 -1.82 0.00 0.00 55.36 52.20 2br4 s GLN 57 Cb -0.13 0.31 0.13 0.00 -1.09 0.00 0.00 33.01 32.23 2br4 s GLN 57 CO 0.22 -0.49 0.36 -0.46 -1.32 0.00 0.00 175.29 173.60 2br4 s TRP 58 N -3.95 -0.75 -1.47 9.60 -0.11 0.49 -4.78 118.94 117.98 2br4 s TRP 58 Ca 0.37 0.76 -0.12 0.00 1.22 0.00 0.00 56.10 58.34 2br4 s TRP 58 Cb 0.05 -0.03 0.06 0.00 -1.50 0.00 0.00 33.47 32.05 2br4 s TRP 58 CO 0.15 -0.70 1.03 0.54 -4.62 0.00 0.00 176.95 173.35 2br4 n ARG 59 N 5.36 -6.18 -0.84 5.86 1.74 -1.26 -1.67 116.66 119.67 2br4 n ARG 59 Ca -0.04 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 2br4 n ARG 59 Cb 0.50 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 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 -1.77 0.67 3.47 -0.13 0.00 -1.26 -5.05 105.19 101.13 2br4 n GLY 60 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 2.85 0.39 0.99 1.43 -0.67 -4.33 118.68 119.34 2br4 s LEU 61 Ca 0.00 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 2br4 s LEU 61 Cb 0.00 -1.61 -0.11 0.00 0.03 0.00 0.00 46.19 44.50 2br4 s LEU 61 CO 0.00 0.29 1.43 0.54 0.23 0.00 0.00 176.35 178.84 2br4 n ARG 62 N 2.68 2.45 -3.95 1.70 1.74 -1.26 -0.38 116.66 119.65 2br4 n ARG 62 Ca -0.18 0.86 -0.29 0.00 -0.77 0.00 0.00 57.85 57.48 2br4 n ARG 62 Cb 0.52 -2.58 -0.16 0.00 -1.02 0.00 0.00 32.46 29.22 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 -2.14 1.77 0.00 5.56 -1.94 0.15 -3.74 119.30 118.96 2br4 s MET 63 Ca 0.56 -0.63 0.30 0.00 -1.71 0.00 0.00 55.69 54.20 2br4 s MET 63 Cb -0.49 -2.15 1.40 0.00 2.01 0.00 0.00 34.83 35.61 2br4 s MET 63 CO 0.62 -0.40 1.95 1.28 -0.01 0.00 0.00 175.02 178.46 2br4 n LEU 64 N 4.80 0.73 -4.58 -0.03 4.77 -1.26 -4.32 117.00 117.11 2br4 n LEU 64 Ca -0.14 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.23 2br4 n LEU 64 Cb 0.48 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2br4 n LEU 64 CO 0.18 0.12 0.21 -0.54 -1.33 0.00 0.00 177.39 176.04 2br4 s LYS 65 N -2.10 3.76 0.77 3.23 1.02 -1.26 -5.07 119.74 120.09 2br4 s LYS 65 Ca 0.40 -0.04 -0.11 0.00 0.02 0.00 0.00 55.97 56.24 2br4 s LYS 65 Cb 0.21 -3.76 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 2br4 s LYS 65 CO 0.38 -0.54 1.13 0.16 -0.92 0.00 0.00 175.35 175.56 2br4 s ASP 66 N 1.70 4.71 0.20 2.83 1.47 -1.26 -4.72 116.67 121.61 2br4 s ASP 66 Ca 0.19 0.77 -0.11 0.00 1.18 0.00 0.00 52.55 54.57 2br4 s ASP 66 Cb -0.16 -1.34 0.27 0.00 -0.34 0.00 0.00 42.92 41.35 2br4 s ASP 66 CO 0.12 -1.76 1.69 -0.65 0.68 0.00 0.00 175.17 175.26 2br4 h PRO 67 N -0.90 0.19 -0.07 2.11 0.11 -1.97 -1.42 132.00 130.04 2br4 h PRO 67 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2br4 h PRO 67 Cb 1.32 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2br4 h PRO 67 CO 0.65 0.13 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.00 2br4 h ASP 68 N 0.20 0.10 -0.08 -2.05 3.32 -1.93 -1.33 116.42 114.65 2br4 h ASP 68 Ca 0.30 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.14 2br4 h ASP 68 Cb 0.45 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2br4 h ASP 68 CO -0.43 0.24 -0.66 0.74 -1.72 0.00 0.00 179.24 177.41 2br4 h THR 69 N 0.10 1.30 -0.72 0.35 2.02 -1.59 -2.81 112.91 111.56 2br4 h THR 69 Ca 0.02 -1.90 0.04 0.00 0.77 0.00 0.00 66.41 65.34 2br4 h THR 69 Cb 0.29 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 2br4 h THR 69 CO 0.02 0.60 0.44 1.56 0.37 0.00 0.00 175.52 178.51 2br4 h GLN 70 N 0.51 0.82 -0.57 6.66 4.20 -0.63 -1.88 115.11 124.22 2br4 h GLN 70 Ca -0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2br4 h GLN 70 Cb 1.26 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 2br4 h GLN 70 CO 0.13 0.54 0.31 0.00 -0.67 0.00 0.00 178.83 179.14 2br4 h ALA 71 N 1.33 1.47 -0.04 3.87 0.00 -1.13 0.45 119.26 125.21 2br4 h ALA 71 Ca 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2br4 h ALA 71 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2br4 h ALA 71 CO -0.13 0.44 -0.05 0.28 0.00 0.00 0.00 179.25 179.79 2br4 h VAL 72 N 0.79 1.39 0.00 0.00 2.07 -1.24 -2.62 116.25 116.64 2br4 h VAL 72 Ca 0.20 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2br4 h VAL 72 Cb 0.03 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2br4 h VAL 72 CO -0.03 0.33 -0.16 1.88 0.02 0.00 0.00 177.57 179.61 2br4 h TYR 73 N -0.37 0.00 0.20 1.57 0.99 -1.06 -1.01 116.97 117.29 2br4 h TYR 73 Ca 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2br4 h TYR 73 Cb 0.56 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.29 2br4 h TYR 73 CO 0.10 0.16 -0.09 1.25 -0.00 0.00 0.00 178.16 179.58 2br4 h HIS 74 N 0.00 -0.25 -0.50 4.88 2.76 -0.89 -0.48 115.15 120.67 2br4 h HIS 74 Ca -0.00 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 2br4 h HIS 74 Cb 0.36 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.33 2br4 h HIS 74 CO 0.00 0.11 0.07 -0.44 -1.30 0.00 0.00 177.93 176.38 2br4 h ASP 75 N -0.66 -0.06 -0.17 3.26 3.32 -1.14 -0.82 116.42 120.15 2br4 h ASP 75 Ca -0.03 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2br4 h ASP 75 Cb 0.47 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2br4 h ASP 75 CO 0.04 -0.01 -0.12 -0.03 -1.72 0.00 0.00 179.24 177.41 2br4 h MET 76 N 0.20 0.53 -0.33 3.56 4.05 -1.17 -0.97 114.93 120.80 2br4 h MET 76 Ca 0.25 -0.15 -0.15 0.00 -0.28 0.00 0.00 59.70 59.37 2br4 h MET 76 Cb 0.36 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2br4 h MET 76 CO -0.36 0.64 -0.36 -0.07 0.23 0.00 0.00 176.91 177.00 2br4 h LEU 77 N 0.49 0.90 -0.64 3.39 4.07 -0.59 -2.28 115.31 120.64 2br4 h LEU 77 Ca 0.09 -0.48 -0.10 0.00 0.08 0.00 0.00 57.88 57.47 2br4 h LEU 77 Cb 0.50 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 2br4 h LEU 77 CO 0.03 1.19 -0.06 -0.25 -1.08 0.00 0.00 178.44 178.27 2br4 h TRP 78 N 0.62 1.10 0.14 1.13 2.91 -0.68 -1.00 115.95 120.16 2br4 h TRP 78 Ca 0.05 -0.21 -0.22 0.00 1.13 0.00 0.00 58.89 59.65 2br4 h TRP 78 Cb 0.95 -0.28 0.02 0.00 -0.51 0.00 0.00 29.16 29.34 2br4 h TRP 78 CO 0.07 1.00 -0.93 1.49 -1.03 0.00 0.00 178.44 179.05 2br4 h GLU 79 N 0.90 0.38 0.08 2.65 4.81 -1.23 -3.38 114.58 118.79 2br4 h GLU 79 Ca 0.15 -0.60 -0.31 0.00 -0.13 0.00 0.00 59.36 58.47 2br4 h GLU 79 Cb 0.61 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2br4 h GLU 79 CO 0.04 1.27 -1.65 1.25 -0.73 0.00 0.00 179.01 179.19 2br4 h LEU 80 N -0.20 0.26 -2.76 1.64 7.12 -1.45 -3.49 115.31 116.43 2br4 h LEU 80 Ca -0.16 -0.44 -0.31 0.00 0.13 0.00 0.00 57.88 57.11 2br4 h LEU 80 Cb 1.71 -0.08 0.15 0.00 -0.53 0.00 0.00 40.66 41.90 2br4 h LEU 80 CO 0.18 1.38 -0.85 0.54 -0.13 0.00 0.00 178.44 179.55 2br4 n ARG 81 N -3.33 -1.80 -2.25 1.25 1.74 -0.38 -4.86 116.66 107.03 2br4 n ARG 81 Ca -0.19 0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 57.23 2br4 n ARG 81 Cb 1.04 -5.14 -0.03 0.00 -1.02 0.00 0.00 32.46 27.32 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 -4.93 4.46 0.03 5.56 0.04 -1.26 -4.61 135.00 134.28 2br4 s PRO 82 Ca 0.44 2.06 0.24 0.00 0.04 0.00 0.00 61.00 63.78 2br4 s PRO 82 Cb -0.10 -3.11 0.38 0.00 0.04 0.00 0.00 34.50 31.72 2br4 s PRO 82 CO 0.79 -0.04 1.32 0.54 0.04 0.00 0.00 177.00 179.65 2br4 n ARG 83 N 0.93 0.09 -3.76 4.56 5.12 -0.52 -4.43 116.66 118.65 2br4 n ARG 83 Ca -0.00 0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.80 2br4 n ARG 83 Cb 0.43 -1.55 -0.13 0.00 -1.16 0.00 0.00 32.46 30.05 2br4 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2br4 s THR 84 N -3.06 -0.03 -0.20 0.55 2.01 -1.06 -1.67 115.64 112.19 2br4 s THR 84 Ca 0.09 0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 2br4 s THR 84 Cb 0.16 -0.29 0.05 0.00 0.01 0.00 0.00 72.50 72.43 2br4 s THR 84 CO 0.72 0.04 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.02 2br4 s ILE 85 N 0.83 1.28 0.10 1.82 1.01 -0.56 -1.47 121.20 124.21 2br4 s ILE 85 Ca -0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 2br4 s ILE 85 Cb -0.08 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.82 2br4 s ILE 85 CO -0.05 0.02 0.44 -0.69 0.00 0.00 0.00 174.94 174.66 2br4 s VAL 86 N 1.54 5.02 -0.34 2.92 1.01 0.26 -1.32 120.40 129.49 2br4 s VAL 86 Ca -0.02 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 2br4 s VAL 86 Cb -0.17 -3.67 0.12 0.00 0.00 0.00 0.00 36.38 32.65 2br4 s VAL 86 CO -0.07 0.28 0.16 -1.61 0.00 0.00 0.00 175.10 173.85 2br4 s GLU 87 N -1.91 0.66 0.27 2.72 0.41 0.20 -2.08 118.70 118.96 2br4 s GLU 87 Ca 0.34 -1.17 -0.30 0.00 -0.41 0.00 0.00 54.97 53.43 2br4 s GLU 87 Cb -0.14 -1.70 -0.11 0.00 -1.78 0.00 0.00 34.13 30.40 2br4 s GLU 87 CO 0.18 -1.08 1.56 -0.51 -0.49 0.00 0.00 175.26 174.92 2br4 s LEU 88 N 1.37 4.36 0.11 1.80 1.43 -0.26 -1.64 118.68 125.85 2br4 s LEU 88 Ca 0.13 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.08 2br4 s LEU 88 Cb -0.20 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2br4 s LEU 88 CO -0.17 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.16 2br4 n GLY 89 N 2.38 -4.72 0.27 -3.19 0.00 0.96 -1.94 105.19 98.94 2br4 n GLY 89 Ca 0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 1.16 0.76 0.00 1.61 0.31 -1.24 -4.76 118.33 116.18 2br4 n VAL 90 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2br4 n VAL 90 Cb 0.00 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 -3.18 0.00 1.12 3.52 9.36 -1.26 -2.12 117.16 124.60 2br4 n TYR 91 Ca -0.25 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.09 2br4 n TYR 91 Cb 0.73 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 39.61 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 10.39 1.77 0.00 2.98 6.94 -1.26 -2.27 115.26 133.81 2br4 n ASN 92 Ca 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.19 2br4 n ASN 92 Cb 0.00 0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 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 1.37 0.65 0.12 4.83 0.00 -0.90 -1.37 105.19 109.88 2br4 n GLY 93 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.25 1.28 -0.02 0.00 -1.81 -1.49 103.07 101.28 2br4 h GLY 94 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2br4 h GLY 94 CO 0.00 -0.04 0.27 1.48 0.00 0.00 0.00 176.54 178.25 2br4 h SER 95 N 0.10 0.85 0.07 0.19 4.64 -1.88 -1.51 113.55 116.00 2br4 h SER 95 Ca 0.12 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2br4 h SER 95 Cb 0.14 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2br4 h SER 95 CO -0.19 0.75 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.42 2br4 h LEU 96 N 0.92 -0.08 -1.59 5.97 4.07 -1.79 -0.17 115.31 122.64 2br4 h LEU 96 Ca 0.22 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 2br4 h LEU 96 Cb 0.16 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 2br4 h LEU 96 CO -0.02 -0.05 0.22 0.00 -1.08 0.00 0.00 178.44 177.52 2br4 h ALA 97 N 0.83 1.69 -0.04 1.53 0.00 -1.03 -2.12 119.26 120.12 2br4 h ALA 97 Ca -0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2br4 h ALA 97 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2br4 h ALA 97 CO 0.02 0.27 -0.26 2.35 0.00 0.00 0.00 179.25 181.63 2br4 h TRP 98 N 0.51 0.34 -0.82 0.00 7.01 -0.97 -1.85 115.95 120.18 2br4 h TRP 98 Ca 0.14 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2br4 h TRP 98 Cb -0.02 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 2br4 h TRP 98 CO 0.00 0.90 0.51 0.74 -2.79 0.00 0.00 178.44 177.80 2br4 h PHE 99 N -0.31 1.07 -0.44 2.65 0.05 -0.85 0.10 116.94 119.21 2br4 h PHE 99 Ca -0.02 0.01 -0.12 0.00 3.82 0.00 0.00 57.97 61.65 2br4 h PHE 99 Cb 0.94 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 2br4 h PHE 99 CO 0.15 0.70 -0.21 -0.09 -0.18 0.00 0.00 178.31 178.67 2br4 h ARG 100 N 1.12 0.89 -0.20 1.51 1.12 -1.44 -2.55 114.38 114.84 2br4 h ARG 100 Ca 0.30 -0.36 -0.15 0.00 -1.11 0.00 0.00 59.98 58.65 2br4 h ARG 100 Cb -0.07 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 2br4 h ARG 100 CO -0.06 1.01 -0.51 -0.44 -3.11 0.00 0.00 179.97 176.87 2br4 h ASP 101 N 0.77 0.59 -0.11 -3.80 3.32 -0.84 -2.15 116.42 114.21 2br4 h ASP 101 Ca 0.10 -0.30 -0.20 0.00 0.02 0.00 0.00 57.03 56.66 2br4 h ASP 101 Cb 0.76 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.15 2br4 h ASP 101 CO 0.06 0.99 -0.70 0.25 -1.72 0.00 0.00 179.24 178.13 2br4 h LEU 102 N 0.42 0.80 -0.97 1.55 5.85 -0.95 -1.42 115.31 120.60 2br4 h LEU 102 Ca 0.02 -0.65 -0.09 0.00 0.84 0.00 0.00 57.88 57.99 2br4 h LEU 102 Cb 1.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2br4 h LEU 102 CO 0.09 1.33 -0.26 0.71 -0.34 0.00 0.00 178.44 179.97 2br4 h THR 103 N 0.34 1.26 -0.07 1.05 1.35 -1.49 -1.87 112.91 113.47 2br4 h THR 103 Ca -0.06 -1.26 -0.02 0.00 -0.55 0.00 0.00 66.41 64.52 2br4 h THR 103 Cb 1.34 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2br4 h THR 103 CO 0.14 0.40 -0.04 0.50 -0.25 0.00 0.00 175.52 176.27 2br4 h LYS 104 N 0.38 0.15 -0.59 4.72 3.64 -1.23 0.70 116.57 124.34 2br4 h LYS 104 Ca 0.06 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2br4 h LYS 104 Cb 0.66 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2br4 h LYS 104 CO 0.05 0.53 0.39 0.82 -2.27 0.00 0.00 179.45 178.97 2br4 h ILE 105 N -0.22 1.07 0.00 2.00 2.04 -1.25 -2.20 117.51 118.94 2br4 h ILE 105 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2br4 h ILE 105 Cb 0.48 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2br4 h ILE 105 CO 0.01 0.12 0.00 0.23 0.00 0.00 0.00 178.15 178.52 2br4 n MET 106 N -4.47 0.09 -0.79 2.37 2.81 -0.71 -4.92 117.12 111.51 2br4 n MET 106 Ca 0.07 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2br4 n MET 106 Cb 0.14 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.40 0.65 3.74 3.03 0.00 -0.72 -5.03 105.19 108.25 2br4 n GLY 107 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.22 4.62 -0.81 -0.61 1.01 0.16 -5.01 121.20 118.35 2br4 s ILE 108 Ca 0.00 1.79 -0.21 0.00 0.00 0.00 0.00 60.65 62.23 2br4 s ILE 108 Cb 0.00 -4.19 0.09 0.00 0.01 0.00 0.00 42.46 38.37 2br4 s ILE 108 CO 0.00 0.36 1.11 -0.62 0.00 0.00 0.00 174.94 175.79 2br4 s ASP 109 N -0.11 6.39 -0.08 3.58 2.15 -1.26 -4.20 116.67 123.14 2br4 s ASP 109 Ca 0.41 -1.43 0.02 0.00 0.43 0.00 0.00 52.55 51.99 2br4 s ASP 109 Cb -0.22 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2br4 s ASP 109 CO 0.26 -1.33 -0.13 0.00 -0.17 0.00 0.00 175.17 173.80 2br4 s GLN 111 N 0.85 4.11 -0.08 0.00 -1.52 -0.67 -4.93 119.66 117.42 2br4 s GLN 111 Ca -0.10 0.69 0.03 0.00 -1.95 0.00 0.00 55.36 54.03 2br4 s GLN 111 Cb -0.15 -2.83 0.00 0.00 -0.22 0.00 0.00 33.01 29.81 2br4 s GLN 111 CO 0.01 0.39 -0.19 0.08 -0.25 0.00 0.00 175.29 175.33 2br4 s VAL 112 N -1.57 1.67 -0.26 1.09 1.01 -0.51 -1.49 120.40 120.34 2br4 s VAL 112 Ca 0.43 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2br4 s VAL 112 Cb -0.15 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.84 2br4 s VAL 112 CO 0.20 0.47 0.00 -0.63 0.00 0.00 0.00 175.10 175.15 2br4 s ILE 113 N 0.43 1.35 -0.10 2.22 1.01 -0.43 -0.98 121.20 124.69 2br4 s ILE 113 Ca -0.16 -1.31 -0.17 0.00 0.00 0.00 0.00 60.65 59.01 2br4 s ILE 113 Cb -0.17 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2br4 s ILE 113 CO 0.06 -0.30 0.46 -0.83 0.00 0.00 0.00 174.94 174.33 2br4 s GLY 114 N 1.44 2.40 -0.02 6.18 0.00 -0.57 -0.63 107.32 116.13 2br4 s GLY 114 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 44.72 44.59 2br4 s GLY 114 CO -0.11 0.65 -0.23 -0.42 0.00 0.00 0.00 173.10 173.00 2br4 s ILE 115 N 0.33 2.32 -0.23 0.90 1.01 -0.65 -1.85 121.20 123.02 2br4 s ILE 115 Ca 0.25 -1.05 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 2br4 s ILE 115 Cb -0.15 -1.85 0.14 0.00 0.01 0.00 0.00 42.46 40.61 2br4 s ILE 115 CO 0.10 0.55 1.10 -0.62 0.00 0.00 0.00 174.94 176.07 2br4 s ASP 116 N -0.74 -0.33 0.54 3.58 2.15 -1.07 -0.03 116.67 120.77 2br4 s ASP 116 Ca 0.11 0.50 0.20 0.00 0.43 0.00 0.00 52.55 53.79 2br4 s ASP 116 Cb -0.10 0.46 1.43 0.00 -0.30 0.00 0.00 42.92 44.41 2br4 s ASP 116 CO -0.00 -0.20 2.18 0.08 -0.17 0.00 0.00 175.17 177.06 2br4 h ARG 117 N 3.18 0.00 -2.24 4.34 0.11 -1.67 -1.99 114.38 116.10 2br4 h ARG 117 Ca -0.22 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.55 2br4 h ARG 117 Cb 1.17 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.92 2br4 h ARG 117 CO 0.21 0.00 -0.62 0.34 0.10 0.00 0.00 179.97 180.00 2br4 s ASP 118 N -6.80 1.49 0.00 0.08 2.15 -1.26 -4.61 116.67 107.71 2br4 s ASP 118 Ca -0.05 -0.51 0.23 0.00 0.43 0.00 0.00 52.55 52.64 2br4 s ASP 118 Cb 0.16 0.51 0.61 0.00 -0.30 0.00 0.00 42.92 43.91 2br4 s ASP 118 CO 0.63 -0.36 1.51 0.18 -0.17 0.00 0.00 175.17 176.97 2br4 n LEU 119 N 5.32 3.87 0.19 -1.34 4.77 -1.26 -4.47 117.00 124.08 2br4 n LEU 119 Ca -0.03 -1.92 0.03 0.00 -0.03 0.00 0.00 56.01 54.05 2br4 n LEU 119 Cb 0.48 -0.45 0.37 0.00 -2.33 0.00 0.00 43.42 41.48 2br4 n LEU 119 CO 0.03 0.95 0.72 0.77 -1.33 0.00 0.00 177.39 178.54 2br4 h SER 120 N 4.29 0.00 0.98 -1.43 4.64 -1.95 -2.76 113.55 117.31 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 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2br4 h SER 120 CO 0.00 0.37 0.00 0.54 -0.87 0.00 0.00 176.83 176.87 2br4 n ARG 121 N -4.03 0.20 -1.79 4.77 3.00 -1.26 -4.83 116.66 112.71 2br4 n ARG 121 Ca -0.02 0.32 -0.42 0.00 -0.01 0.00 0.00 57.85 57.73 2br4 n ARG 121 Cb 0.41 -1.81 -0.03 0.00 0.00 0.00 0.00 32.46 31.03 2br4 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2br4 n GLN 123 N 4.81 1.19 -1.92 0.00 1.13 -0.47 -4.98 117.38 117.14 2br4 n GLN 123 Ca 0.16 -1.44 -0.42 0.00 -1.94 0.00 0.00 57.00 53.36 2br4 n GLN 123 Cb 0.38 -1.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 2br4 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br4 s ILE 124 N -1.10 3.12 0.41 5.09 1.01 -1.25 -4.94 121.20 123.54 2br4 s ILE 124 Ca 0.18 0.49 -0.26 0.00 0.00 0.00 0.00 60.65 61.05 2br4 s ILE 124 Cb 0.12 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 2br4 s ILE 124 CO 0.17 -0.01 1.39 -2.84 0.00 0.00 0.00 174.94 173.65 2br4 s PRO 125 N 2.99 3.91 0.56 2.79 0.02 -1.26 -4.89 135.00 139.12 2br4 s PRO 125 Ca 0.75 2.34 0.24 0.00 0.02 0.00 0.00 61.00 64.35 2br4 s PRO 125 Cb -0.39 -2.78 1.61 0.00 0.02 0.00 0.00 34.50 32.96 2br4 s PRO 125 CO 0.32 -0.61 2.21 0.00 -0.33 0.00 0.00 177.00 178.60 2br4 h ALA 126 N 2.65 1.70 0.00 -1.55 0.00 -2.01 -1.82 119.26 118.23 2br4 h ALA 126 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2br4 h ALA 126 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2br4 h ALA 126 CO 0.62 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.75 2br4 n SER 127 N -4.11 0.00 -2.49 0.00 3.41 -1.26 -3.64 113.62 105.53 2br4 n SER 127 Ca -0.03 -0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 58.09 2br4 n SER 127 Cb 0.09 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2br4 n SER 127 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2br4 n ASP 128 N -1.08 2.30 -0.79 4.04 4.64 -0.68 -4.84 116.55 120.14 2br4 n ASP 128 Ca 0.13 -2.46 0.09 0.00 -1.38 0.00 0.00 54.79 51.17 2br4 n ASP 128 Cb 0.09 -0.44 0.24 0.00 -1.04 0.00 0.00 41.12 39.98 2br4 n ASP 128 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 2br4 n MET 129 N -0.55 2.69 -1.76 -0.67 2.81 -1.24 -4.86 117.12 113.54 2br4 n MET 129 Ca 0.16 -2.82 -0.42 0.00 -1.81 0.00 0.00 57.70 52.81 2br4 n MET 129 Cb 0.86 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 2br4 n MET 129 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2br4 s GLU 130 N -2.85 4.14 -1.53 0.03 2.12 -1.26 -1.99 118.70 117.36 2br4 s GLU 130 Ca 0.41 2.57 -0.00 0.00 0.36 0.00 0.00 54.97 58.31 2br4 s GLU 130 Cb 0.34 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.64 2br4 s GLU 130 CO 0.08 -0.72 0.02 0.09 -0.54 0.00 0.00 175.26 174.19 2br4 n ASN 131 N 3.88 -5.25 -3.98 -1.70 5.03 -1.26 -4.99 115.26 106.98 2br4 n ASN 131 Ca 0.15 -0.03 -0.22 0.00 0.87 0.00 0.00 54.58 55.35 2br4 n ASN 131 Cb 0.36 -4.31 -0.16 0.00 -1.02 0.00 0.00 39.78 34.64 2br4 n ASN 131 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br4 s ILE 132 N -2.90 0.89 -0.06 2.41 1.01 -0.84 -1.42 121.20 120.29 2br4 s ILE 132 Ca 0.01 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.34 2br4 s ILE 132 Cb -0.00 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2br4 s ILE 132 CO 0.01 0.30 -0.16 -0.89 0.00 0.00 0.00 174.94 174.20 2br4 s THR 133 N 0.62 1.35 -0.18 2.92 2.01 -0.16 -4.98 115.64 117.23 2br4 s THR 133 Ca -0.11 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2br4 s THR 133 Cb -0.14 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 2br4 s THR 133 CO 0.02 0.40 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.52 2br4 s LEU 134 N 0.35 2.96 -0.10 4.42 1.02 -1.26 -1.52 118.68 124.55 2br4 s LEU 134 Ca -0.10 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.78 2br4 s LEU 134 Cb -0.14 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 2br4 s LEU 134 CO 0.04 0.09 -0.17 -1.00 0.02 0.00 0.00 176.35 175.33 2br4 s HIS 135 N 0.83 2.69 -0.31 0.29 3.76 -0.77 -5.01 115.29 116.77 2br4 s HIS 135 Ca -0.02 -0.63 -0.10 0.00 -0.15 0.00 0.00 55.06 54.16 2br4 s HIS 135 Cb -0.15 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 2br4 s HIS 135 CO 0.01 -0.17 0.17 -1.14 -0.85 0.00 0.00 174.74 172.76 2br4 s GLN 136 N 0.07 3.49 -0.05 1.40 0.74 -1.26 -2.61 119.66 121.44 2br4 s GLN 136 Ca -0.07 -0.62 -0.31 0.00 0.05 0.00 0.00 55.36 54.41 2br4 s GLN 136 Cb -0.15 -3.61 0.11 0.00 1.10 0.00 0.00 33.01 30.47 2br4 s GLN 136 CO 0.05 -0.37 1.05 0.20 -0.55 0.00 0.00 175.29 175.68 2br4 s GLY 137 N 1.66 -0.37 0.26 2.59 0.00 -0.75 -4.96 107.32 105.74 2br4 s GLY 137 Ca 0.05 1.08 -0.27 0.00 0.00 0.00 0.00 44.72 45.59 2br4 s GLY 137 CO 0.08 0.34 0.89 -0.35 0.00 0.00 0.00 173.10 174.06 2br4 s ASP 138 N -2.48 7.42 0.07 1.64 3.68 -1.26 -1.78 116.67 123.96 2br4 s ASP 138 Ca 0.08 1.80 -0.14 0.00 2.13 0.00 0.00 52.55 56.42 2br4 s ASP 138 Cb -0.00 -2.56 -0.25 0.00 -1.45 0.00 0.00 42.92 38.65 2br4 s ASP 138 CO -0.06 0.07 1.16 0.00 0.13 0.00 0.00 175.17 176.47 2br4 h SER 140 N 0.35 0.55 -3.50 0.00 0.02 -1.94 -3.37 113.55 105.66 2br4 h SER 140 Ca -0.15 0.15 -0.60 0.00 -0.84 0.00 0.00 61.79 60.34 2br4 h SER 140 Cb 1.78 0.07 -0.12 0.00 0.14 0.00 0.00 62.40 64.28 2br4 h SER 140 CO 0.22 -0.01 -0.20 -0.62 -1.14 0.00 0.00 176.83 175.08 2br4 s ASP 141 N -5.05 6.42 0.00 3.07 2.15 -1.20 -4.94 116.67 117.11 2br4 s ASP 141 Ca -0.10 0.49 0.29 0.00 0.43 0.00 0.00 52.55 53.66 2br4 s ASP 141 Cb 0.28 -2.23 1.63 0.00 -0.30 0.00 0.00 42.92 42.30 2br4 s ASP 141 CO 0.80 -0.09 2.06 0.18 -0.17 0.00 0.00 175.17 177.94 2br4 n LEU 142 N 4.57 0.19 0.08 -1.34 4.32 -1.26 -3.03 117.00 120.53 2br4 n LEU 142 Ca -0.08 -0.07 0.16 0.00 -0.02 0.00 0.00 56.01 56.00 2br4 n LEU 142 Cb 0.51 -0.00 0.66 0.00 -1.62 0.00 0.00 43.42 42.96 2br4 n LEU 142 CO 0.40 0.03 1.15 0.74 -1.22 0.00 0.00 177.39 178.49 2br4 h THR 143 N 0.29 0.83 -0.43 -5.08 2.02 -1.93 -2.79 112.91 105.82 2br4 h THR 143 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2br4 h THR 143 Cb 0.06 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2br4 h THR 143 CO 0.00 0.01 0.16 0.74 0.37 0.00 0.00 175.52 176.80 2br4 h THR 144 N 0.04 1.17 0.00 3.16 2.02 -1.77 -3.09 112.91 114.44 2br4 h THR 144 Ca 0.17 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2br4 h THR 144 Cb 0.65 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2br4 h THR 144 CO -0.01 0.20 -1.32 0.49 0.37 0.00 0.00 175.52 175.26 2br4 n PHE 145 N -4.36 0.47 -0.23 3.16 3.01 -1.07 -4.37 117.46 114.07 2br4 n PHE 145 Ca 0.03 0.14 -0.08 0.00 1.01 0.00 0.00 57.45 58.54 2br4 n PHE 145 Cb 0.15 -0.67 0.04 0.00 -0.01 0.00 0.00 39.48 39.00 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 1.09 -0.09 -1.08 5.08 -1.43 -2.98 114.58 115.17 2br4 h GLU 146 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2br4 h GLU 146 Cb 0.92 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2br4 h GLU 146 CO 0.00 1.02 0.00 0.72 -1.00 0.00 0.00 179.01 179.75 2br4 n HIS 147 N -4.20 0.12 -2.16 4.33 8.25 -1.25 -4.88 115.22 115.44 2br4 n HIS 147 Ca 0.04 -0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2br4 n HIS 147 Cb 0.31 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.52 4.37 0.69 2.41 1.43 -1.13 -5.00 118.68 119.94 2br4 s LEU 148 Ca 0.28 2.35 -0.17 0.00 -1.03 0.00 0.00 54.13 55.57 2br4 s LEU 148 Cb 0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 2br4 s LEU 148 CO 0.22 -0.66 0.89 -1.14 0.23 0.00 0.00 176.35 175.90 2br4 n ARG 149 N 3.87 0.57 -2.54 1.70 0.63 -1.26 -4.91 116.66 114.72 2br4 n ARG 149 Ca 0.11 0.24 -0.43 0.00 -0.92 0.00 0.00 57.85 56.86 2br4 n ARG 149 Cb 0.42 -2.14 -0.02 0.00 0.45 0.00 0.00 32.46 31.17 2br4 n ARG 149 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2br4 s GLU 150 N -3.08 4.27 0.31 -0.14 -6.30 -1.26 -5.01 118.70 107.50 2br4 s GLU 150 Ca 0.73 1.53 -0.00 0.00 -2.50 0.00 0.00 54.97 54.73 2br4 s GLU 150 Cb -0.37 -3.68 -0.04 0.00 0.00 0.00 0.00 34.13 30.05 2br4 s GLU 150 CO 0.50 -0.62 0.52 -1.64 0.02 0.00 0.00 175.26 174.04 2br4 s MET 151 N 3.12 3.51 0.57 4.30 -1.94 -1.26 -5.09 119.30 122.50 2br4 s MET 151 Ca 0.50 -0.32 -0.15 0.00 -1.71 0.00 0.00 55.69 54.02 2br4 s MET 151 Cb -0.19 -2.70 -0.05 0.00 2.01 0.00 0.00 34.83 33.90 2br4 s MET 151 CO 0.12 0.21 1.02 0.00 -0.01 0.00 0.00 175.02 176.36 2br4 s ALA 152 N -2.20 2.95 0.31 3.03 0.00 -1.26 -5.07 121.76 119.51 2br4 s ALA 152 Ca 0.40 0.19 0.11 0.00 0.00 0.00 0.00 51.96 52.65 2br4 s ALA 152 Cb -0.10 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 2br4 s ALA 152 CO 0.34 -0.55 -0.14 -1.01 0.00 0.00 0.00 175.76 174.40 2br4 s HIS 153 N -2.71 2.36 0.90 0.00 3.76 -1.26 -3.76 115.29 114.58 2br4 s HIS 153 Ca 0.59 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 55.00 2br4 s HIS 153 Cb -0.12 -1.18 0.13 0.00 1.11 0.00 0.00 32.58 32.52 2br4 s HIS 153 CO 0.39 0.65 1.11 -2.14 -0.85 0.00 0.00 174.74 173.90 2br4 s PRO 154 N -3.56 1.21 0.02 8.40 0.02 -1.26 -4.50 135.00 135.32 2br4 s PRO 154 Ca 0.31 1.31 0.03 0.00 0.02 0.00 0.00 61.00 62.68 2br4 s PRO 154 Cb -0.02 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 2br4 s PRO 154 CO 0.16 -2.42 -0.10 -1.17 -0.33 0.00 0.00 177.00 173.13 2br4 s LEU 155 N -6.44 2.12 -0.16 -5.54 0.20 -1.26 -1.44 118.68 106.18 2br4 s LEU 155 Ca 0.65 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.13 2br4 s LEU 155 Cb -0.21 -0.44 0.02 0.00 -0.43 0.00 0.00 46.19 45.13 2br4 s LEU 155 CO 0.58 0.01 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.88 2br4 s ILE 156 N -0.69 1.61 -0.22 6.68 1.01 -0.54 -2.27 121.20 126.78 2br4 s ILE 156 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2br4 s ILE 156 Cb -0.06 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 2br4 s ILE 156 CO 0.00 0.42 -0.02 0.12 0.00 0.00 0.00 174.94 175.47 2br4 s PHE 157 N 1.47 2.99 -0.21 3.97 5.36 -0.84 -0.58 117.98 130.13 2br4 s PHE 157 Ca 0.04 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 2br4 s PHE 157 Cb -0.13 -2.11 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2br4 s PHE 157 CO -0.11 -0.45 -0.13 0.42 -1.46 0.00 0.00 175.22 173.49 2br4 s ILE 158 N 1.37 2.44 -0.47 3.12 1.01 -0.88 -0.94 121.20 126.85 2br4 s ILE 158 Ca 0.04 -1.00 -0.27 0.00 0.00 0.00 0.00 60.65 59.43 2br4 s ILE 158 Cb -0.14 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.21 2br4 s ILE 158 CO -0.01 0.37 1.03 -0.62 0.00 0.00 0.00 174.94 175.71 2br4 s ASP 159 N 1.30 6.57 -0.09 3.58 3.68 0.34 -1.10 116.67 130.95 2br4 s ASP 159 Ca 0.02 0.31 0.14 0.00 2.13 0.00 0.00 52.55 55.14 2br4 s ASP 159 Cb -0.15 -2.50 0.21 0.00 -1.45 0.00 0.00 42.92 39.03 2br4 s ASP 159 CO -0.09 -1.14 1.10 0.47 0.13 0.00 0.00 175.17 175.64 2br4 n ASP 160 N 7.49 1.88 -0.02 -0.34 8.00 -0.82 -2.62 116.55 130.12 2br4 n ASP 160 Ca 0.09 -2.77 -0.02 0.00 0.71 0.00 0.00 54.79 52.79 2br4 n ASP 160 Cb 0.49 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 2br4 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2br4 n ALA 161 N -1.09 1.89 -2.05 2.24 0.00 -1.25 -4.59 120.51 115.66 2br4 n ALA 161 Ca 0.12 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 2br4 n ALA 161 Cb 0.61 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.17 -0.53 -4.88 0.00 8.25 -1.26 -4.99 115.22 109.65 2br4 n HIS 162 Ca -0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.05 2br4 n HIS 162 Cb 0.64 -3.12 -0.13 0.00 1.12 0.00 0.00 29.99 28.50 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 -2.73 2.64 -1.61 -1.41 0.00 -1.26 -4.73 121.76 112.67 2br4 s ALA 163 Ca 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 2br4 s ALA 163 Cb 0.00 -1.01 0.12 0.00 0.00 0.00 0.00 23.12 22.23 2br4 s ALA 163 CO 0.00 0.49 0.88 -1.71 0.00 0.00 0.00 175.76 175.42 2br4 n ASN 164 N 2.57 -3.96 0.13 0.00 4.05 -1.26 -4.59 115.26 112.20 2br4 n ASN 164 Ca -0.17 -0.89 -0.01 0.00 0.45 0.00 0.00 54.58 53.95 2br4 n ASN 164 Cb 0.52 -3.35 0.22 0.00 1.23 0.00 0.00 39.78 38.40 2br4 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br4 h THR 165 N -1.81 1.36 0.00 -0.44 2.02 -1.96 -2.70 112.91 109.38 2br4 h THR 165 Ca -0.59 -1.75 -0.21 0.00 0.77 0.00 0.00 66.41 64.63 2br4 h THR 165 Cb 1.38 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.66 2br4 h THR 165 CO 0.72 0.51 -1.15 -0.26 0.37 0.00 0.00 175.52 175.71 2br4 h PHE 166 N 0.08 0.00 -0.11 3.16 -1.00 -1.99 -1.89 116.94 115.19 2br4 h PHE 166 Ca 0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 2br4 h PHE 166 Cb 0.93 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 2br4 h PHE 166 CO 0.01 0.87 -0.36 -0.91 -1.61 0.00 0.00 178.31 176.30 2br4 h ASN 167 N 0.00 0.24 0.57 2.17 2.35 -1.92 -1.09 115.58 117.90 2br4 h ASN 167 Ca -0.10 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.37 2br4 h ASN 167 Cb 1.75 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 40.04 2br4 h ASN 167 CO 0.10 0.59 -0.84 0.40 -1.65 0.00 0.00 177.43 176.02 2br4 h ILE 168 N 0.20 1.49 -0.16 2.81 2.04 -1.45 -2.27 117.51 120.16 2br4 h ILE 168 Ca 0.02 -2.55 -0.17 0.00 1.00 0.00 0.00 64.86 63.17 2br4 h ILE 168 Cb 0.74 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2br4 h ILE 168 CO 0.06 0.74 -0.59 -0.03 0.00 0.00 0.00 178.15 178.33 2br4 h MET 169 N 0.11 0.52 -0.10 2.37 4.05 -1.18 -0.80 114.93 119.89 2br4 h MET 169 Ca -0.04 -0.35 -0.00 0.00 -0.28 0.00 0.00 59.70 59.03 2br4 h MET 169 Cb 1.46 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.30 2br4 h MET 169 CO 0.13 0.96 0.05 -0.22 0.23 0.00 0.00 176.91 178.05 2br4 h LYS 170 N 0.39 0.15 -0.63 0.39 3.11 -1.19 -2.58 116.57 116.20 2br4 h LYS 170 Ca -0.00 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.76 2br4 h LYS 170 Cb 1.14 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.32 2br4 h LYS 170 CO 0.11 0.24 0.17 2.35 -2.81 0.00 0.00 179.45 179.51 2br4 h TRP 171 N 0.03 1.02 -0.54 1.91 7.01 -1.34 -2.74 115.95 121.30 2br4 h TRP 171 Ca 0.04 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 2br4 h TRP 171 Cb 0.14 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2br4 h TRP 171 CO -0.03 0.83 0.22 0.00 -2.79 0.00 0.00 178.44 176.68 2br4 h ALA 172 N 1.24 0.69 -0.66 2.65 0.00 -1.07 -1.30 119.26 120.82 2br4 h ALA 172 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2br4 h ALA 172 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2br4 h ALA 172 CO -0.00 0.30 0.16 0.28 0.00 0.00 0.00 179.25 179.98 2br4 h VAL 173 N 0.72 1.26 0.00 0.00 2.07 -1.27 0.32 116.25 119.35 2br4 h VAL 173 Ca 0.18 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2br4 h VAL 173 Cb 0.18 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2br4 h VAL 173 CO -0.02 0.36 -0.64 0.47 0.02 0.00 0.00 177.57 177.76 2br4 n ASP 174 N -4.30 0.59 0.00 0.57 8.00 -1.05 -4.35 116.55 116.00 2br4 n ASP 174 Ca 0.04 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2br4 n ASP 174 Cb 0.25 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.72 0.00 0.00 1.24 8.25 -0.50 -5.00 115.22 117.49 2br4 n HIS 175 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2br4 n HIS 175 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.17 0.00 -4.67 2.41 7.94 -0.68 -5.03 117.00 116.79 2br4 n LEU 176 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 2br4 n LEU 176 Cb 0.08 0.19 -0.02 0.00 0.53 0.00 0.00 43.42 44.20 2br4 n LEU 176 CO 0.00 -0.37 0.97 -0.76 -1.11 0.00 0.00 177.39 176.12 2br4 s LEU 177 N -4.49 4.22 0.45 -1.96 1.43 0.10 -5.03 118.68 113.40 2br4 s LEU 177 Ca 0.00 1.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.86 2br4 s LEU 177 Cb 0.00 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.69 2br4 s LEU 177 CO 0.00 -0.64 0.61 -1.61 0.23 0.00 0.00 176.35 174.94 2br4 s GLU 178 N 2.75 2.75 0.18 1.70 2.02 -1.26 -4.86 118.70 121.99 2br4 s GLU 178 Ca 0.53 -1.21 -0.32 0.00 0.02 0.00 0.00 54.97 53.99 2br4 s GLU 178 Cb -0.22 -2.72 -0.11 0.00 0.10 0.00 0.00 34.13 31.19 2br4 s GLU 178 CO 0.17 -0.38 1.72 -2.00 0.02 0.00 0.00 175.26 174.79 2br4 s GLU 179 N -4.43 4.14 0.00 1.61 2.12 -1.26 -2.22 118.70 118.66 2br4 s GLU 179 Ca 0.56 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.45 2br4 s GLU 179 Cb -0.10 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2br4 s GLU 179 CO 0.34 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 2br4 n GLY 180 N 4.00 3.13 3.79 -1.50 0.00 -0.97 -5.00 105.19 108.64 2br4 n GLY 180 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.79 6.33 0.08 1.61 1.11 -0.94 -4.70 116.67 119.36 2br4 s ASP 181 Ca 0.00 1.98 -0.02 0.00 0.18 0.00 0.00 52.55 54.69 2br4 s ASP 181 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2br4 s ASP 181 CO 0.00 -0.79 0.26 -0.31 1.18 0.00 0.00 175.17 175.51 2br4 s TYR 182 N -1.90 3.51 -0.28 4.23 1.51 -0.96 -1.03 117.35 122.43 2br4 s TYR 182 Ca 0.66 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 57.09 2br4 s TYR 182 Cb -0.18 -1.85 0.08 0.00 -0.11 0.00 0.00 41.96 39.91 2br4 s TYR 182 CO 0.22 0.55 0.03 0.12 -1.11 0.00 0.00 175.55 175.36 2br4 s PHE 183 N -1.53 2.30 -0.24 2.71 5.36 -0.55 -1.98 117.98 124.04 2br4 s PHE 183 Ca 0.36 -1.92 -0.08 0.00 -0.96 0.00 0.00 56.93 54.33 2br4 s PHE 183 Cb -0.13 -1.85 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 2br4 s PHE 183 CO 0.26 -0.83 0.08 0.42 -1.46 0.00 0.00 175.22 173.68 2br4 s ILE 184 N 1.42 4.48 -0.47 3.12 1.01 -0.12 -2.28 121.20 128.36 2br4 s ILE 184 Ca 0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.42 2br4 s ILE 184 Cb -0.18 -3.08 0.08 0.00 0.01 0.00 0.00 42.46 39.29 2br4 s ILE 184 CO -0.14 0.35 0.39 -0.63 0.00 0.00 0.00 174.94 174.91 2br4 s ILE 185 N 1.39 5.06 0.31 2.92 1.01 -0.41 -0.50 121.20 130.98 2br4 s ILE 185 Ca 0.05 -1.18 -0.27 0.00 0.00 0.00 0.00 60.65 59.26 2br4 s ILE 185 Cb -0.15 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 2br4 s ILE 185 CO 0.04 -0.61 0.96 -1.61 0.00 0.00 0.00 174.94 173.73 2br4 s GLU 186 N 1.60 4.62 0.00 2.79 2.02 -1.08 -4.52 118.70 124.13 2br4 s GLU 186 Ca 0.04 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.44 2br4 s GLU 186 Cb -0.25 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.06 2br4 s GLU 186 CO 0.05 0.30 0.00 -0.25 0.02 0.00 0.00 175.26 175.38 2br4 n ASP 187 N 0.77 0.00 0.04 -0.19 8.00 0.80 -4.64 116.55 121.33 2br4 n ASP 187 Ca 0.01 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.45 2br4 n ASP 187 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 2br4 n ASP 187 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2br4 h MET 188 N 0.00 0.00 -0.28 -1.24 2.86 -1.85 -3.39 114.93 111.03 2br4 h MET 188 Ca 0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2br4 h MET 188 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2br4 h MET 188 CO 0.00 0.77 0.02 0.82 1.06 0.00 0.00 176.91 179.58 2br4 h ILE 189 N 0.00 0.82 -0.89 -1.22 5.03 -1.82 -0.19 117.51 119.24 2br4 h ILE 189 Ca -0.10 -0.04 0.09 0.00 -0.12 0.00 0.00 64.86 64.70 2br4 h ILE 189 Cb 1.80 0.70 -0.07 0.00 -3.03 0.00 0.00 36.82 36.22 2br4 h ILE 189 CO 0.11 0.02 0.53 -0.65 -0.68 0.00 0.00 178.15 177.48 2br4 h PRO 190 N 0.11 0.87 -0.32 2.37 0.11 -1.80 -1.36 132.00 131.99 2br4 h PRO 190 Ca 0.13 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.02 2br4 h PRO 190 Cb 0.16 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2br4 h PRO 190 CO -0.21 0.58 -0.46 1.88 -0.21 0.00 0.00 178.00 179.58 2br4 h TYR 191 N 0.90 1.07 -0.35 0.65 -1.99 -1.58 -2.59 116.97 113.09 2br4 h TYR 191 Ca 0.42 -0.36 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 2br4 h TYR 191 Cb 0.35 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 2br4 h TYR 191 CO -0.04 1.18 -0.09 -1.49 -0.00 0.00 0.00 178.16 177.72 2br4 h TRP 192 N 0.66 0.63 -0.01 4.88 6.55 -0.75 -2.13 115.95 125.77 2br4 h TRP 192 Ca 0.03 -0.09 -0.12 0.00 0.95 0.00 0.00 58.89 59.66 2br4 h TRP 192 Cb 1.06 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 29.17 2br4 h TRP 192 CO 0.07 0.66 -0.57 -0.92 -1.05 0.00 0.00 178.44 176.63 2br4 h TYR 193 N 0.54 0.04 -0.04 0.49 3.20 -1.23 -1.51 116.97 118.46 2br4 h TYR 193 Ca 0.10 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2br4 h TYR 193 Cb 0.48 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 2br4 h TYR 193 CO 0.02 0.60 -0.04 -0.09 -1.64 0.00 0.00 178.16 177.01 2br4 h ARG 194 N 0.03 0.10 0.15 1.82 2.43 -1.14 -2.72 114.38 115.05 2br4 h ARG 194 Ca -0.01 -0.05 -0.30 0.00 -0.81 0.00 0.00 59.98 58.81 2br4 h ARG 194 Cb 1.02 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2br4 h ARG 194 CO 0.08 0.55 -1.40 1.88 -1.51 0.00 0.00 179.97 179.57 2br4 h TYR 195 N -0.34 0.58 -2.08 2.20 0.99 -1.43 -3.39 116.97 113.49 2br4 h TYR 195 Ca 0.01 -0.42 -0.54 0.00 2.00 0.00 0.00 58.73 59.77 2br4 h TYR 195 Cb 0.53 -0.02 -0.40 0.00 1.00 0.00 0.00 36.73 37.83 2br4 h TYR 195 CO 0.09 1.38 -0.98 0.00 -0.00 0.00 0.00 178.16 178.65 2br4 n ALA 196 N -2.62 2.94 -0.24 3.88 0.00 -0.57 -4.98 120.51 118.92 2br4 n ALA 196 Ca -0.13 -3.85 -0.03 0.00 0.00 0.00 0.00 53.44 49.43 2br4 n ALA 196 Cb 1.05 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 3.41 0.79 -0.02 0.00 0.13 -1.63 -0.97 132.00 133.71 2br4 h PRO 197 Ca 0.11 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 2br4 h PRO 197 Cb 0.81 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2br4 h PRO 197 CO 0.60 0.52 -0.07 1.96 -0.23 0.00 0.00 178.00 180.79 2br4 h GLN 198 N 0.81 0.08 -0.18 0.86 4.20 -1.94 -2.54 115.11 116.41 2br4 h GLN 198 Ca 0.29 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 2br4 h GLN 198 Cb 0.07 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2br4 h GLN 198 CO -0.13 0.69 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.48 2br4 h LEU 199 N -0.51 0.29 -0.13 1.46 3.38 -1.96 -2.87 115.31 114.98 2br4 h LEU 199 Ca -0.00 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2br4 h LEU 199 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2br4 h LEU 199 CO 0.01 0.48 -0.33 0.15 0.09 0.00 0.00 178.44 178.85 2br4 h PHE 200 N 0.28 0.58 -0.54 1.13 3.57 -1.22 -2.60 116.94 118.15 2br4 h PHE 200 Ca 0.05 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 2br4 h PHE 200 Cb 0.47 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2br4 h PHE 200 CO 0.01 0.95 0.16 0.77 -2.23 0.00 0.00 178.31 177.97 2br4 h SER 201 N 0.05 0.74 -0.21 0.41 0.02 -1.36 -1.86 113.55 111.34 2br4 h SER 201 Ca -0.00 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 2br4 h SER 201 Cb 0.94 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 2br4 h SER 201 CO 0.07 0.71 -0.13 -0.08 -1.14 0.00 0.00 176.83 176.26 2br4 h GLU 202 N 0.78 0.46 0.06 3.45 4.81 -1.56 -2.40 114.58 120.17 2br4 h GLU 202 Ca 0.18 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2br4 h GLU 202 Cb 0.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2br4 h GLU 202 CO -0.01 0.76 -0.03 1.88 -0.73 0.00 0.00 179.01 180.89 2br4 h TYR 203 N 0.15 -0.07 -0.75 0.92 0.99 -1.24 -2.31 116.97 114.67 2br4 h TYR 203 Ca 0.04 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.82 2br4 h TYR 203 Cb 0.64 0.02 -0.05 0.00 1.00 0.00 0.00 36.73 38.34 2br4 h TYR 203 CO 0.07 0.06 0.45 1.25 -0.00 0.00 0.00 178.16 180.00 2br4 h LEU 204 N -0.19 0.72 -2.08 3.88 6.46 -1.45 -2.74 115.31 119.91 2br4 h LEU 204 Ca -0.01 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2br4 h LEU 204 Cb 0.17 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2br4 h LEU 204 CO 0.01 0.47 -0.06 1.23 -0.62 0.00 0.00 178.44 179.47 2br4 h GLY 205 N 0.85 0.00 2.00 3.75 0.00 -1.11 -1.79 103.07 106.77 2br4 h GLY 205 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2br4 h GLY 205 CO -0.15 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.39 2br4 n ALA 206 N -2.19 1.46 -0.72 3.60 0.00 -0.90 -2.03 120.51 119.73 2br4 n ALA 206 Ca -0.02 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.63 2br4 n ALA 206 Cb 0.21 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 18.67 2br4 n ALA 206 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2br4 n PHE 207 N -2.23 1.64 0.21 0.00 3.01 -0.67 -4.62 117.46 114.80 2br4 n PHE 207 Ca 0.01 -0.66 0.06 0.00 1.01 0.00 0.00 57.45 57.88 2br4 n PHE 207 Cb 0.16 -0.32 0.48 0.00 -0.01 0.00 0.00 39.48 39.79 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 3.97 0.00 0.00 -1.08 0.11 -1.56 0.61 114.38 116.43 2br4 h ARG 208 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2br4 h ARG 208 Cb 1.61 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.68 2br4 h ARG 208 CO 0.31 0.27 -0.40 -0.44 0.10 0.00 0.00 179.97 179.81 2br4 h ASP 209 N 0.00 0.00 0.00 0.08 3.32 -1.84 -3.41 116.42 114.57 2br4 h ASP 209 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2br4 h ASP 209 Cb 0.56 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2br4 h ASP 209 CO 0.04 0.35 -1.55 1.33 -1.72 0.00 0.00 179.24 177.69 2br4 n VAL 210 N -3.17 0.86 -4.00 -1.35 0.24 -1.01 -4.92 118.33 104.99 2br4 n VAL 210 Ca 0.02 -0.11 -0.22 0.00 -2.04 0.00 0.00 64.34 61.99 2br4 n VAL 210 Cb 0.68 -1.73 -0.03 0.00 -1.47 0.00 0.00 33.84 31.29 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 -6.86 4.22 0.09 1.34 1.43 0.17 -2.84 118.68 116.23 2br4 s LEU 211 Ca -0.18 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2br4 s LEU 211 Cb 0.06 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2br4 s LEU 211 CO 0.24 -0.04 0.09 -0.94 0.23 0.00 0.00 176.35 175.92 2br4 s SER 212 N -3.82 0.29 -0.22 2.29 1.04 -0.62 -4.35 113.70 108.32 2br4 s SER 212 Ca 0.34 -0.91 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 2br4 s SER 212 Cb -0.09 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 2br4 s SER 212 CO 0.28 -0.69 0.50 -0.32 0.98 0.00 0.00 173.24 173.99 2br4 s MET 213 N -3.93 4.16 -0.57 4.02 1.75 -1.26 -1.61 119.30 121.86 2br4 s MET 213 Ca 0.10 0.37 -0.27 0.00 -1.25 0.00 0.00 55.69 54.64 2br4 s MET 213 Cb 0.06 -3.58 0.03 0.00 2.84 0.00 0.00 34.83 34.18 2br4 s MET 213 CO -0.07 -0.19 1.13 0.34 -0.65 0.00 0.00 175.02 175.58 2br4 s ASP 214 N 1.24 6.43 0.12 1.11 -1.08 -0.31 -4.91 116.67 119.27 2br4 s ASP 214 Ca 0.23 0.01 0.24 0.00 -0.52 0.00 0.00 52.55 52.51 2br4 s ASP 214 Cb -0.15 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.71 2br4 s ASP 214 CO 0.09 -1.41 1.74 0.23 0.52 0.00 0.00 175.17 176.35 2br4 n MET 215 N 8.18 0.12 0.14 4.34 2.81 -1.26 -1.48 117.12 129.98 2br4 n MET 215 Ca 0.07 0.21 0.01 0.00 -1.81 0.00 0.00 57.70 56.18 2br4 n MET 215 Cb 0.49 -1.67 0.17 0.00 -0.71 0.00 0.00 33.22 31.49 2br4 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br4 h LEU 216 N 0.00 0.00 0.00 4.03 5.85 -1.98 -3.36 115.31 119.85 2br4 h LEU 216 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2br4 h LEU 216 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2br4 h LEU 216 CO 0.00 0.57 -0.62 -1.22 -0.34 0.00 0.00 178.44 176.83 2br4 n TYR 217 N -3.57 0.00 0.34 1.25 0.53 -1.07 -4.76 117.16 109.88 2br4 n TYR 217 Ca -0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.00 2br4 n TYR 217 Cb 0.64 -0.04 0.24 0.00 -1.03 0.00 0.00 39.34 39.15 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 0.50 1.00 -0.21 -0.72 0.00 -1.41 -3.01 119.26 115.41 2br4 h ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2br4 h ALA 218 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2br4 h ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2br4 n ASN 219 N -2.85 3.37 -0.69 0.00 3.02 -1.26 -1.18 115.26 115.67 2br4 n ASN 219 Ca 0.04 -2.84 0.12 0.00 -0.03 0.00 0.00 54.58 51.88 2br4 n ASN 219 Cb 0.50 -0.45 0.21 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.53 2.74 -3.62 5.41 0.00 -1.14 -4.92 120.51 118.45 2br4 n ALA 220 Ca 0.18 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 2br4 n ALA 220 Cb 0.75 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.13 -0.57 0.50 0.00 0.15 -1.26 -4.77 113.70 105.63 2br4 s SER 221 Ca 0.29 1.03 0.30 0.00 0.70 0.00 0.00 55.95 58.26 2br4 s SER 221 Cb 0.20 1.02 1.02 0.00 -1.71 0.00 0.00 66.02 66.55 2br4 s SER 221 CO 0.38 -0.24 1.86 0.77 1.20 0.00 0.00 173.24 177.21 2br4 h SER 222 N 4.26 0.00 0.74 5.45 4.64 -1.94 -1.97 113.55 124.72 2br4 h SER 222 Ca -0.28 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.80 2br4 h SER 222 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2br4 h SER 222 CO 0.12 0.00 -1.12 1.56 -0.87 0.00 0.00 176.83 176.52 2br4 h GLN 223 N 0.00 0.18 -0.02 4.77 4.20 -1.97 -3.28 115.11 119.00 2br4 h GLN 223 Ca 0.00 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2br4 h GLN 223 Cb 0.67 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2br4 h GLN 223 CO 0.00 1.12 -0.06 1.28 -0.67 0.00 0.00 178.83 180.50 2br4 n LEU 224 N -3.49 1.72 -3.79 1.46 4.77 -1.13 -0.14 117.00 116.41 2br4 n LEU 224 Ca -0.05 -0.57 -0.54 0.00 -0.03 0.00 0.00 56.01 54.82 2br4 n LEU 224 Cb 0.97 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.95 2br4 n LEU 224 CO 0.51 0.29 1.23 -0.67 -1.33 0.00 0.00 177.39 177.43 2br4 n ASP 225 N 0.26 0.81 -4.13 -1.43 2.03 -0.76 -1.00 116.55 112.34 2br4 n ASP 225 Ca 0.17 0.77 -0.32 0.00 0.52 0.00 0.00 54.79 55.93 2br4 n ASP 225 Cb 0.40 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 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 4.97 -3.13 -0.31 -0.67 1.74 -0.32 -4.56 116.66 114.38 2br4 n ARG 226 Ca 0.37 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 2br4 n ARG 226 Cb -0.04 -4.81 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 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 -1.69 -0.51 3.32 -0.13 0.00 -0.17 -4.92 105.19 101.10 2br4 n GLY 227 Ca -0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 5.18 0.39 1.61 1.01 -1.25 -1.29 120.40 126.04 2br4 s VAL 228 Ca 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 61.98 60.56 2br4 s VAL 228 Cb 0.00 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2br4 s VAL 228 CO 0.00 -0.93 0.38 -0.76 0.00 0.00 0.00 175.10 173.79 2br4 s LEU 229 N 1.67 3.51 -0.01 3.92 1.43 -0.96 -1.16 118.68 127.08 2br4 s LEU 229 Ca 0.06 -0.61 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 2br4 s LEU 229 Cb -0.27 -2.20 0.10 0.00 0.03 0.00 0.00 46.19 43.84 2br4 s LEU 229 CO 0.02 -0.56 0.82 0.00 0.23 0.00 0.00 176.35 176.87 2br4 s ARG 230 N -4.11 0.90 -1.37 1.70 1.70 -0.63 -1.49 118.95 115.64 2br4 s ARG 230 Ca 0.46 -0.18 -0.14 0.00 -0.47 0.00 0.00 55.73 55.41 2br4 s ARG 230 Cb -0.05 0.42 0.08 0.00 -0.57 0.00 0.00 34.95 34.83 2br4 s ARG 230 CO 0.28 -0.36 2.01 -2.13 -1.08 0.00 0.00 175.30 174.01 2br4 n ARG 231 N 0.05 3.12 -3.85 3.89 3.00 -0.19 -1.59 116.66 121.09 2br4 n ARG 231 Ca -0.12 -3.01 -0.12 0.00 -0.00 0.00 0.00 57.85 54.60 2br4 n ARG 231 Cb 0.61 -3.24 -0.10 0.00 0.00 0.00 0.00 32.46 29.74 2br4 n ARG 231 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2br4 s VAL 232 N 2.69 0.07 0.26 5.15 1.01 -1.13 -2.28 120.40 126.16 2br4 s VAL 232 Ca 0.46 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2br4 s VAL 232 Cb 0.10 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 2br4 s VAL 232 CO -0.03 -0.32 0.95 0.00 0.00 0.00 0.00 175.10 175.70 2br4 s ALA 233 N -1.18 3.32 0.00 5.51 0.00 -1.26 -3.96 121.76 124.19 2br4 s ALA 233 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2br4 s ALA 233 Cb -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2br4 s ALA 233 CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.95