#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br5 s PHE 9 N 0.00 3.34 0.79 1.20 0.40 -1.26 -5.08 117.98 117.37 2br5 s PHE 9 Ca 0.00 0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.57 2br5 s PHE 9 Cb 0.00 -2.34 0.06 0.00 0.51 0.00 0.00 43.02 41.25 2br5 s PHE 9 CO 0.00 0.06 1.09 -0.65 0.70 0.00 0.00 175.22 176.41 2br5 s GLN 10 N 1.09 2.16 -0.66 0.44 -0.21 -1.26 -4.95 119.66 116.27 2br5 s GLN 10 Ca 0.11 1.04 -0.27 0.00 0.02 0.00 0.00 55.36 56.26 2br5 s GLN 10 Cb -0.14 -1.89 0.02 0.00 1.00 0.00 0.00 33.01 32.00 2br5 s GLN 10 CO 0.05 -1.68 1.36 0.34 -2.12 0.00 0.00 175.29 173.25 2br5 s ASP 11 N -3.49 6.09 0.61 5.90 2.15 -1.26 -4.86 116.67 121.82 2br5 s ASP 11 Ca 0.61 -0.12 0.40 0.00 0.43 0.00 0.00 52.55 53.87 2br5 s ASP 11 Cb -0.17 -2.55 2.05 0.00 -0.30 0.00 0.00 42.92 41.95 2br5 s ASP 11 CO 0.56 -1.82 2.21 -0.07 -0.17 0.00 0.00 175.17 175.88 2br5 h LEU 12 N 13.28 0.00 -1.55 -1.34 4.07 -2.03 -2.40 115.31 125.33 2br5 h LEU 12 Ca -0.27 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.65 2br5 h LEU 12 Cb 1.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 2br5 h LEU 12 CO 1.24 0.00 -0.17 0.78 -1.08 0.00 0.00 178.44 179.21 2br5 h ASN 13 N 0.00 0.07 -1.09 -0.43 2.35 -2.01 -2.79 115.58 111.67 2br5 h ASN 13 Ca 0.00 -0.01 0.31 0.00 -0.55 0.00 0.00 56.30 56.05 2br5 h ASN 13 Cb 0.15 -0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.38 2br5 h ASN 13 CO 0.00 0.25 0.68 -0.07 -1.65 0.00 0.00 177.43 176.64 2br5 h LEU 14 N 0.07 0.44 -0.33 1.61 4.07 -1.84 -1.94 115.31 117.38 2br5 h LEU 14 Ca 0.01 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2br5 h LEU 14 Cb 0.35 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2br5 h LEU 14 CO 0.02 -0.02 -0.06 0.49 -1.08 0.00 0.00 178.44 177.80 2br5 n PHE 15 N -4.76 0.00 -1.66 1.13 0.99 -1.05 -4.81 117.46 107.29 2br5 n PHE 15 Ca 0.30 0.00 -0.49 0.00 -0.00 0.00 0.00 57.45 57.26 2br5 n PHE 15 Cb 1.01 -0.10 -0.05 0.00 -1.00 0.00 0.00 39.48 39.35 2br5 n PHE 15 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2br5 n ARG 16 N -0.72 2.01 0.00 -1.08 0.63 -0.73 -0.92 116.66 115.84 2br5 n ARG 16 Ca 0.18 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 2br5 n ARG 16 Cb 0.25 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.53 2br5 n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2br5 n GLY 17 N 4.65 3.06 0.17 5.14 0.00 -1.26 -4.83 105.19 112.12 2br5 n GLY 17 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2br5 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br5 n LEU 18 N 0.00 1.87 0.00 0.99 4.77 -0.10 -5.08 117.00 119.44 2br5 n LEU 18 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2br5 n LEU 18 Cb 0.00 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2br5 n LEU 18 CO 0.00 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2br5 n GLY 19 N 1.41 1.72 0.11 -0.72 0.00 -0.82 -4.90 105.19 101.99 2br5 n GLY 19 Ca -0.40 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 43.64 2br5 n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2br5 n GLU 20 N 0.40 0.57 -4.36 1.61 0.28 -1.26 -4.70 120.64 113.18 2br5 n GLU 20 Ca 0.00 0.11 -0.23 0.00 -0.16 0.00 0.00 57.16 56.88 2br5 n GLU 20 Cb 0.00 -1.80 -0.17 0.00 1.43 0.00 0.00 31.44 30.90 2br5 n GLU 20 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2br5 s ASP 21 N -5.22 1.52 0.35 -1.84 -1.08 -1.26 -5.02 116.67 104.12 2br5 s ASP 21 Ca -0.00 -0.24 0.27 0.00 -0.52 0.00 0.00 52.55 52.06 2br5 s ASP 21 Cb 0.10 -0.69 1.07 0.00 -1.46 0.00 0.00 42.92 41.95 2br5 s ASP 21 CO 0.79 -0.01 1.80 1.55 0.52 0.00 0.00 175.17 179.81 2br5 h PRO 22 N 7.17 0.00 -7.02 4.34 0.13 -1.90 -3.44 132.00 131.29 2br5 h PRO 22 Ca -0.33 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.35 2br5 h PRO 22 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2br5 h PRO 22 CO 0.46 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 178.56 2br5 s ALA 23 N -3.41 3.08 -0.03 -0.56 0.00 -1.26 -4.62 121.76 114.96 2br5 s ALA 23 Ca 0.04 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 2br5 s ALA 23 Cb 0.09 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2br5 s ALA 23 CO 0.46 0.15 0.80 -0.47 0.00 0.00 0.00 175.76 176.69 2br5 s TYR 24 N -2.09 3.63 -0.17 0.00 5.04 -1.26 -4.93 117.35 117.56 2br5 s TYR 24 Ca 0.60 1.42 0.01 0.00 -2.44 0.00 0.00 57.07 56.67 2br5 s TYR 24 Cb -0.10 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.32 2br5 s TYR 24 CO 0.15 0.09 -0.20 -1.01 -1.34 0.00 0.00 175.55 173.24 2br5 s HIS 25 N 0.73 2.71 0.50 4.97 3.76 -1.26 -5.01 115.29 121.69 2br5 s HIS 25 Ca 0.42 -1.57 -0.23 0.00 -0.15 0.00 0.00 55.06 53.53 2br5 s HIS 25 Cb -0.19 -1.88 -0.07 0.00 1.11 0.00 0.00 32.58 31.56 2br5 s HIS 25 CO 0.22 -0.76 1.38 -2.30 -0.85 0.00 0.00 174.74 172.42 2br5 n PRO 26 N 4.53 1.93 -0.81 8.40 -0.02 -1.26 -4.93 135.00 142.84 2br5 n PRO 26 Ca -0.21 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 2br5 n PRO 26 Cb 0.50 -2.58 0.14 0.00 -0.02 0.00 0.00 33.50 31.54 2br5 n PRO 26 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2br5 n PRO 27 N -0.61 -0.26 -4.41 0.52 -0.02 -1.26 -5.02 135.00 123.93 2br5 n PRO 27 Ca 0.08 -0.02 -0.19 0.00 -2.02 0.00 0.00 63.50 61.35 2br5 n PRO 27 Cb 0.43 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 2br5 n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2br5 s VAL 28 N -2.44 0.80 -0.41 -1.45 1.01 -1.26 -5.10 120.40 111.55 2br5 s VAL 28 Ca 0.64 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 2br5 s VAL 28 Cb -0.24 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2br5 s VAL 28 CO 0.60 0.20 0.95 -0.76 0.00 0.00 0.00 175.10 176.09 2br5 s LEU 29 N -0.32 3.96 -0.02 3.92 1.02 -1.26 -4.67 118.68 121.30 2br5 s LEU 29 Ca 0.03 0.42 -0.23 0.00 0.02 0.00 0.00 54.13 54.38 2br5 s LEU 29 Cb -0.04 -3.28 -0.22 0.00 0.02 0.00 0.00 46.19 42.67 2br5 s LEU 29 CO -0.00 -0.97 1.11 0.00 0.02 0.00 0.00 176.35 176.50 2br5 h THR 30 N 5.95 1.48 -0.68 5.49 1.03 -2.00 -3.40 112.91 120.78 2br5 h THR 30 Ca -0.23 -1.85 -0.31 0.00 -0.01 0.00 0.00 66.41 64.01 2br5 h THR 30 Cb 1.07 2.56 -0.40 0.00 -1.07 0.00 0.00 68.15 70.31 2br5 h THR 30 CO 1.01 0.52 -1.12 -0.90 -0.01 0.00 0.00 175.52 175.02 2br5 n ASP 31 N -4.45 1.79 -3.60 0.00 5.68 -1.26 -5.06 116.55 109.65 2br5 n ASP 31 Ca -0.09 -2.41 -0.16 0.00 -0.50 0.00 0.00 54.79 51.63 2br5 n ASP 31 Cb 0.52 -0.49 -0.07 0.00 -1.14 0.00 0.00 41.12 39.94 2br5 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2br5 s ARG 32 N -3.54 0.90 0.77 0.11 1.70 -1.26 -5.14 118.95 112.48 2br5 s ARG 32 Ca 0.29 0.36 -0.12 0.00 -0.47 0.00 0.00 55.73 55.79 2br5 s ARG 32 Cb 0.38 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 35.24 2br5 s ARG 32 CO -0.01 -0.23 1.11 -1.25 -1.08 0.00 0.00 175.30 173.84 2br5 s PRO 33 N -0.77 2.15 0.12 3.89 0.04 -1.26 -4.86 135.00 134.31 2br5 s PRO 33 Ca -0.08 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 2br5 s PRO 33 Cb -0.02 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 2br5 s PRO 33 CO 0.06 -1.75 1.44 -0.09 0.04 0.00 0.00 177.00 176.71 2br5 h ARG 34 N -0.95 0.81 -5.86 4.56 2.43 -2.01 -3.42 114.38 109.93 2br5 h ARG 34 Ca -0.44 -0.43 -0.57 0.00 -0.81 0.00 0.00 59.98 57.72 2br5 h ARG 34 Cb 1.25 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 2br5 h ARG 34 CO 0.50 1.06 -0.09 -0.51 -1.51 0.00 0.00 179.97 179.42 2br5 s ASP 35 N -6.68 6.79 -0.14 -3.80 1.01 -1.26 -5.07 116.67 107.53 2br5 s ASP 35 Ca -0.12 0.94 -0.00 0.00 0.71 0.00 0.00 52.55 54.08 2br5 s ASP 35 Cb 0.10 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 2br5 s ASP 35 CO 0.85 0.03 -0.13 0.86 0.21 0.00 0.00 175.17 176.99 2br5 s TRP 36 N 0.37 2.82 0.28 4.23 -0.11 -1.26 -5.09 118.94 120.17 2br5 s TRP 36 Ca 0.28 -0.68 -0.30 0.00 1.22 0.00 0.00 56.10 56.62 2br5 s TRP 36 Cb -0.16 -1.86 -0.11 0.00 -1.50 0.00 0.00 33.47 29.83 2br5 s TRP 36 CO 0.13 -0.25 1.59 -1.25 -4.62 0.00 0.00 176.95 172.55 2br5 s PRO 37 N 0.44 4.14 0.10 5.86 0.04 -1.26 -4.91 135.00 139.41 2br5 s PRO 37 Ca -0.10 2.55 0.04 0.00 0.04 0.00 0.00 61.00 63.54 2br5 s PRO 37 Cb -0.16 -3.03 -0.23 0.00 0.04 0.00 0.00 34.50 31.12 2br5 s PRO 37 CO 0.05 -0.62 1.20 -0.07 0.04 0.00 0.00 177.00 177.60 2br5 h LEU 38 N 4.97 0.11 -1.89 -3.56 4.07 -1.99 -1.04 115.31 115.97 2br5 h LEU 38 Ca -0.47 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.45 2br5 h LEU 38 Cb 1.22 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2br5 h LEU 38 CO 0.80 1.09 0.44 -2.24 -1.08 0.00 0.00 178.44 177.46 2br5 h ASP 39 N 0.02 0.00 -0.54 -0.43 2.03 -2.07 -2.58 116.42 112.85 2br5 h ASP 39 Ca -0.06 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.91 2br5 h ASP 39 Cb 1.84 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 40.13 2br5 h ASP 39 CO 0.14 0.00 -0.07 0.54 -1.03 0.00 0.00 179.24 178.82 2br5 n ARG 40 N -3.32 2.29 -0.14 4.15 5.12 -0.40 -4.83 116.66 119.52 2br5 n ARG 40 Ca 0.04 -3.39 -0.09 0.00 -1.93 0.00 0.00 57.85 52.48 2br5 n ARG 40 Cb 0.56 -1.98 -0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2br5 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2br5 h TRP 41 N 1.35 0.65 -0.03 -1.55 7.01 -1.42 -2.50 115.95 119.45 2br5 h TRP 41 Ca 0.32 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.27 2br5 h TRP 41 Cb 1.59 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.46 2br5 h TRP 41 CO 1.09 0.58 0.04 0.00 -2.79 0.00 0.00 178.44 177.35 2br5 h ALA 42 N 1.00 1.60 0.00 2.65 0.00 -1.88 -2.14 119.26 120.50 2br5 h ALA 42 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2br5 h ALA 42 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2br5 h ALA 42 CO -0.01 -0.05 -0.77 0.93 0.00 0.00 0.00 179.25 179.34 2br5 h GLU 43 N 0.00 0.00 -6.56 0.00 5.08 -1.84 -3.47 114.58 107.79 2br5 h GLU 43 Ca 0.02 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.78 2br5 h GLU 43 Cb 0.09 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.42 2br5 h GLU 43 CO -0.00 0.06 0.50 0.00 -1.00 0.00 0.00 179.01 178.57 2br5 n ALA 44 N -2.19 0.73 -0.59 3.43 0.00 -0.81 -4.95 120.51 116.13 2br5 n ALA 44 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.55 2br5 n ALA 44 Cb 0.59 -2.21 0.21 0.00 0.00 0.00 0.00 19.45 18.03 2br5 n ALA 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2br5 n PRO 45 N 1.66 -1.68 0.00 0.00 -0.02 -1.26 -5.00 135.00 128.69 2br5 n PRO 45 Ca 0.11 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2br5 n PRO 45 Cb 0.31 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2br5 n PRO 45 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2br5 n ARG 46 N -3.78 3.40 -3.07 -0.52 3.00 -1.26 -5.06 116.66 109.37 2br5 n ARG 46 Ca 0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.65 2br5 n ARG 46 Cb 0.56 -0.56 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2br5 n ARG 46 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2br5 s ASP 47 N -0.94 6.07 0.35 6.15 1.47 -1.26 -4.98 116.67 123.52 2br5 s ASP 47 Ca 0.00 0.46 0.15 0.00 1.18 0.00 0.00 52.55 54.34 2br5 s ASP 47 Cb 0.00 -1.84 1.05 0.00 -0.34 0.00 0.00 42.92 41.79 2br5 s ASP 47 CO 0.00 -0.53 1.69 0.25 0.68 0.00 0.00 175.17 177.26 2br5 h LEU 48 N 0.49 0.54 0.00 2.11 5.85 -2.03 -3.45 115.31 118.82 2br5 h LEU 48 Ca -0.48 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2br5 h LEU 48 Cb 1.23 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2br5 h LEU 48 CO 0.60 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 179.27 2br5 n GLY 49 N -1.33 0.61 3.72 3.75 0.00 -1.26 -5.03 105.19 105.64 2br5 n GLY 49 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 2br5 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br5 s TYR 50 N -2.38 0.29 0.25 1.61 -0.85 -1.26 -3.62 117.35 111.39 2br5 s TYR 50 Ca 0.00 -0.78 -0.30 0.00 -0.52 0.00 0.00 57.07 55.48 2br5 s TYR 50 Cb 0.00 0.51 -0.10 0.00 0.38 0.00 0.00 41.96 42.76 2br5 s TYR 50 CO 0.00 -1.32 1.39 0.45 -1.52 0.00 0.00 175.55 174.55 2br5 s SER 51 N -3.06 6.72 -0.11 -0.18 0.15 -1.26 -4.93 113.70 111.03 2br5 s SER 51 Ca 0.19 2.62 0.17 0.00 0.70 0.00 0.00 55.95 59.62 2br5 s SER 51 Cb -0.04 -2.62 0.65 0.00 -1.71 0.00 0.00 66.02 62.30 2br5 s SER 51 CO 0.12 -0.64 1.56 -0.90 1.20 0.00 0.00 173.24 174.58 2br5 n ASP 52 N 2.13 4.46 0.32 5.45 5.75 -1.26 -4.68 116.55 128.72 2br5 n ASP 52 Ca 0.05 -2.49 -0.17 0.00 -0.01 0.00 0.00 54.79 52.17 2br5 n ASP 52 Cb 0.41 -0.53 -0.09 0.00 -1.03 0.00 0.00 41.12 39.88 2br5 n ASP 52 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2br5 h PHE 53 N 3.50 -0.73 -0.73 2.11 -0.00 -2.05 -3.39 116.94 115.64 2br5 h PHE 53 Ca 0.00 -0.02 -0.25 0.00 -0.00 0.00 0.00 57.97 57.71 2br5 h PHE 53 Cb 1.38 0.24 -0.19 0.00 -0.00 0.00 0.00 35.95 37.39 2br5 h PHE 53 CO 0.68 -0.45 -0.58 0.45 -0.00 0.00 0.00 178.31 178.41 2br5 n SER 54 N -5.43 -2.70 -1.32 0.41 2.88 -1.26 -5.01 113.62 101.19 2br5 n SER 54 Ca -0.13 -3.04 0.10 0.00 -1.33 0.00 0.00 58.87 54.48 2br5 n SER 54 Cb 0.32 1.43 0.31 0.00 -0.75 0.00 0.00 64.21 65.52 2br5 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br5 n PRO 55 N 2.23 2.87 -3.26 -1.46 -0.04 -1.26 -4.97 135.00 129.11 2br5 n PRO 55 Ca 0.15 -2.47 -0.27 0.00 -0.04 0.00 0.00 63.50 60.87 2br5 n PRO 55 Cb 0.58 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 2br5 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br5 s TYR 56 N -1.35 3.49 0.09 0.54 1.51 -1.26 -4.93 117.35 115.44 2br5 s TYR 56 Ca 0.45 0.58 -0.19 0.00 -1.01 0.00 0.00 57.07 56.90 2br5 s TYR 56 Cb 0.26 -2.07 0.04 0.00 -0.11 0.00 0.00 41.96 40.08 2br5 s TYR 56 CO 0.28 0.10 0.45 1.14 -1.11 0.00 0.00 175.55 176.41 2br5 s GLN 57 N -3.93 1.04 -0.10 -0.62 -2.07 -1.26 -1.84 119.66 110.89 2br5 s GLN 57 Ca 0.43 -0.47 -0.00 0.00 -1.82 0.00 0.00 55.36 53.49 2br5 s GLN 57 Cb -0.10 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.31 2br5 s GLN 57 CO 0.34 -0.39 -0.06 -0.46 -1.32 0.00 0.00 175.29 173.39 2br5 s TRP 58 N -3.11 1.31 -1.37 9.60 -0.11 0.83 -4.83 118.94 121.25 2br5 s TRP 58 Ca -0.01 -0.60 -0.17 0.00 1.22 0.00 0.00 56.10 56.53 2br5 s TRP 58 Cb 0.00 -1.12 0.02 0.00 -1.50 0.00 0.00 33.47 30.87 2br5 s TRP 58 CO -0.07 -0.45 0.38 0.54 -4.62 0.00 0.00 176.95 172.73 2br5 n ARG 59 N 4.86 -0.77 -1.01 5.86 1.74 -1.26 -1.30 116.66 124.79 2br5 n ARG 59 Ca -0.13 0.11 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2br5 n ARG 59 Cb 0.50 -3.16 -0.00 0.00 -1.02 0.00 0.00 32.46 28.78 2br5 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 60 N -2.29 0.29 3.53 -0.13 0.00 -1.26 -5.01 105.19 100.32 2br5 n GLY 60 Ca -0.22 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2br5 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br5 s LEU 61 N -0.04 2.85 0.37 0.99 1.43 -0.42 -4.52 118.68 119.34 2br5 s LEU 61 Ca 0.00 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 2br5 s LEU 61 Cb 0.00 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 2br5 s LEU 61 CO 0.00 0.19 1.20 -0.13 0.23 0.00 0.00 176.35 177.84 2br5 s ARG 62 N -2.04 4.19 -0.14 1.70 0.52 -1.26 -0.12 118.95 121.80 2br5 s ARG 62 Ca 0.19 1.94 0.02 0.00 -0.52 0.00 0.00 55.73 57.35 2br5 s ARG 62 Cb -0.11 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 32.54 2br5 s ARG 62 CO 0.11 -0.23 -0.18 -1.64 0.02 0.00 0.00 175.30 173.37 2br5 s MET 63 N -2.07 2.65 0.01 3.54 -1.94 -0.76 -3.89 119.30 116.83 2br5 s MET 63 Ca 0.54 -0.71 0.24 0.00 -1.71 0.00 0.00 55.69 54.05 2br5 s MET 63 Cb -0.33 -2.24 0.33 0.00 2.01 0.00 0.00 34.83 34.59 2br5 s MET 63 CO 0.43 -0.11 1.29 1.28 -0.01 0.00 0.00 175.02 177.90 2br5 n LEU 64 N 4.34 0.61 -4.68 -0.03 4.77 -1.26 -4.30 117.00 116.45 2br5 n LEU 64 Ca -0.19 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 2br5 n LEU 64 Cb 0.51 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2br5 n LEU 64 CO 0.25 0.14 0.66 -0.54 -1.33 0.00 0.00 177.39 176.56 2br5 s LYS 65 N -3.02 4.37 0.79 3.23 1.02 -1.26 -5.06 119.74 119.81 2br5 s LYS 65 Ca 0.10 1.16 -0.09 0.00 0.02 0.00 0.00 55.97 57.16 2br5 s LYS 65 Cb 0.17 -3.54 0.11 0.00 -0.52 0.00 0.00 37.83 34.04 2br5 s LYS 65 CO 0.74 -0.26 1.12 0.16 -0.92 0.00 0.00 175.35 176.18 2br5 s ASP 66 N 1.08 4.30 0.49 2.83 1.47 -1.26 -4.76 116.67 120.82 2br5 s ASP 66 Ca 0.43 0.37 0.18 0.00 1.18 0.00 0.00 52.55 54.70 2br5 s ASP 66 Cb -0.18 -0.82 1.21 0.00 -0.34 0.00 0.00 42.92 42.80 2br5 s ASP 66 CO 0.16 -1.95 2.04 -0.65 0.68 0.00 0.00 175.17 175.45 2br5 h PRO 67 N -0.92 0.16 -0.08 2.11 0.11 -1.97 -0.21 132.00 131.19 2br5 h PRO 67 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2br5 h PRO 67 Cb 1.29 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2br5 h PRO 67 CO 0.54 0.10 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.93 2br5 h ASP 68 N 0.16 0.19 -0.87 -2.05 3.45 -1.93 -1.60 116.42 113.78 2br5 h ASP 68 Ca 0.18 -0.45 0.05 0.00 0.43 0.00 0.00 57.03 57.24 2br5 h ASP 68 Cb 0.49 -0.05 -0.06 0.00 -0.56 0.00 0.00 39.33 39.14 2br5 h ASP 68 CO -0.03 0.60 0.55 0.74 -1.57 0.00 0.00 179.24 179.53 2br5 h THR 69 N -0.22 1.08 -0.64 0.35 2.02 -1.75 -2.22 112.91 111.52 2br5 h THR 69 Ca 0.02 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2br5 h THR 69 Cb 0.54 -0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 2br5 h THR 69 CO 0.02 0.19 0.34 1.56 0.37 0.00 0.00 175.52 178.00 2br5 h GLN 70 N 1.02 0.61 -0.57 6.66 4.20 -0.89 -2.00 115.11 124.14 2br5 h GLN 70 Ca 0.37 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.94 2br5 h GLN 70 Cb 0.11 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2br5 h GLN 70 CO -0.15 0.41 -0.04 0.00 -0.67 0.00 0.00 178.83 178.38 2br5 h ALA 71 N 1.35 0.78 -0.39 3.87 0.00 -0.78 -2.09 119.26 122.00 2br5 h ALA 71 Ca 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2br5 h ALA 71 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2br5 h ALA 71 CO -0.19 0.64 0.23 0.28 0.00 0.00 0.00 179.25 180.21 2br5 h VAL 72 N 0.93 1.05 -0.57 0.00 2.07 -1.07 -2.11 116.25 116.56 2br5 h VAL 72 Ca 0.16 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2br5 h VAL 72 Cb 0.60 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2br5 h VAL 72 CO 0.04 0.09 -0.08 1.88 0.02 0.00 0.00 177.57 179.51 2br5 h TYR 73 N 0.47 1.17 -0.24 1.57 -1.99 -1.14 -0.31 116.97 116.52 2br5 h TYR 73 Ca 0.15 -0.23 0.06 0.00 2.00 0.00 0.00 58.73 60.71 2br5 h TYR 73 Cb -0.00 -0.29 -0.07 0.00 2.00 0.00 0.00 36.73 38.36 2br5 h TYR 73 CO -0.07 1.07 -0.27 1.25 -0.00 0.00 0.00 178.16 180.13 2br5 h HIS 74 N 0.94 -0.74 0.46 4.88 2.76 -1.19 0.21 115.15 122.47 2br5 h HIS 74 Ca 0.15 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2br5 h HIS 74 Cb 0.65 0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 2br5 h HIS 74 CO 0.05 -0.35 -0.28 -0.44 -1.30 0.00 0.00 177.93 175.61 2br5 h ASP 75 N -0.29 -0.70 -0.93 3.26 5.19 -0.76 0.26 116.42 122.46 2br5 h ASP 75 Ca 0.13 0.04 0.18 0.00 -0.62 0.00 0.00 57.03 56.76 2br5 h ASP 75 Cb 0.49 0.20 -0.10 0.00 0.18 0.00 0.00 39.33 40.10 2br5 h ASP 75 CO -0.40 -0.44 0.51 -0.03 -3.12 0.00 0.00 179.24 175.76 2br5 h MET 76 N -0.70 0.64 -0.02 3.56 1.85 -0.88 -1.95 114.93 117.42 2br5 h MET 76 Ca -0.05 -0.04 -0.18 0.00 -0.61 0.00 0.00 59.70 58.82 2br5 h MET 76 Cb 0.57 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 2br5 h MET 76 CO 0.06 0.42 -0.79 -0.07 -0.40 0.00 0.00 176.91 176.12 2br5 h LEU 77 N 0.65 0.29 -0.67 3.39 4.07 -0.02 -0.23 115.31 122.79 2br5 h LEU 77 Ca 0.53 -0.21 -0.07 0.00 0.08 0.00 0.00 57.88 58.20 2br5 h LEU 77 Cb 0.82 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 2br5 h LEU 77 CO -0.40 0.97 0.14 -0.25 -1.08 0.00 0.00 178.44 177.82 2br5 h TRP 78 N 0.15 1.16 0.06 1.13 2.91 -0.24 -1.29 115.95 119.83 2br5 h TRP 78 Ca -0.03 -0.15 -0.00 0.00 1.13 0.00 0.00 58.89 59.83 2br5 h TRP 78 Cb 1.38 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 2br5 h TRP 78 CO 0.03 0.96 -0.03 1.49 -1.03 0.00 0.00 178.44 179.86 2br5 h GLU 79 N 1.02 -0.08 -0.25 2.65 4.81 -1.23 -3.38 114.58 118.13 2br5 h GLU 79 Ca 0.21 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.25 2br5 h GLU 79 Cb 0.40 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2br5 h GLU 79 CO 0.01 0.41 -0.62 1.25 -0.73 0.00 0.00 179.01 179.33 2br5 h LEU 80 N -0.96 0.98 -2.35 1.64 6.46 -1.14 -3.49 115.31 116.46 2br5 h LEU 80 Ca -0.01 -0.56 -0.31 0.00 -0.12 0.00 0.00 57.88 56.88 2br5 h LEU 80 Cb 0.52 -0.28 0.16 0.00 -0.73 0.00 0.00 40.66 40.33 2br5 h LEU 80 CO 0.01 1.36 -0.85 0.54 -0.62 0.00 0.00 178.44 178.88 2br5 n ARG 81 N -3.99 -3.17 -2.08 1.25 1.74 -0.49 -4.77 116.66 105.14 2br5 n ARG 81 Ca -0.05 0.78 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 2br5 n ARG 81 Cb 0.67 -5.52 -0.03 0.00 -1.02 0.00 0.00 32.46 26.55 2br5 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br5 s PRO 82 N -4.96 4.30 0.49 5.56 0.04 -1.26 -4.63 135.00 134.54 2br5 s PRO 82 Ca 0.33 2.20 0.28 0.00 0.04 0.00 0.00 61.00 63.85 2br5 s PRO 82 Cb -0.06 -3.18 0.91 0.00 0.04 0.00 0.00 34.50 32.21 2br5 s PRO 82 CO 0.76 -0.44 1.82 0.00 0.04 0.00 0.00 177.00 179.18 2br5 h ARG 83 N 6.06 0.00 -3.67 4.56 -0.00 -1.07 -3.41 114.38 116.84 2br5 h ARG 83 Ca -0.44 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 58.81 2br5 h ARG 83 Cb 1.21 0.00 -0.29 0.00 0.00 0.00 0.00 29.97 30.89 2br5 h ARG 83 CO 0.84 0.03 -0.71 0.99 0.00 0.00 0.00 179.97 181.12 2br5 s THR 84 N -3.47 -0.01 -0.09 2.04 2.01 -0.94 -1.41 115.64 113.77 2br5 s THR 84 Ca 0.03 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2br5 s THR 84 Cb 0.07 -0.04 0.02 0.00 0.01 0.00 0.00 72.50 72.56 2br5 s THR 84 CO 0.60 0.01 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.80 2br5 s ILE 85 N 0.16 1.17 -0.37 1.82 1.01 -0.14 -0.93 121.20 123.92 2br5 s ILE 85 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2br5 s ILE 85 Cb -0.02 -1.11 0.10 0.00 0.01 0.00 0.00 42.46 41.44 2br5 s ILE 85 CO -0.00 0.38 0.13 -0.69 0.00 0.00 0.00 174.94 174.75 2br5 s VAL 86 N 1.08 2.95 0.10 2.92 1.01 0.04 -1.24 120.40 127.25 2br5 s VAL 86 Ca -0.06 -2.04 -0.30 0.00 0.00 0.00 0.00 61.98 59.57 2br5 s VAL 86 Cb -0.15 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 2br5 s VAL 86 CO -0.01 -0.58 1.06 -1.61 0.00 0.00 0.00 175.10 173.96 2br5 s GLU 87 N 1.09 4.58 -0.24 2.72 0.41 -0.35 -1.32 118.70 125.59 2br5 s GLU 87 Ca 0.07 1.60 -0.06 0.00 -0.41 0.00 0.00 54.97 56.17 2br5 s GLU 87 Cb -0.21 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 28.77 2br5 s GLU 87 CO -0.05 0.02 0.02 -1.17 -0.49 0.00 0.00 175.26 173.59 2br5 s LEU 88 N 0.27 3.23 0.00 1.80 0.20 0.10 -1.79 118.68 122.49 2br5 s LEU 88 Ca 0.51 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.97 2br5 s LEU 88 Cb -0.26 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 43.67 2br5 s LEU 88 CO 0.31 -0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.93 2br5 n GLY 89 N 4.86 -3.14 0.71 7.98 0.00 0.19 -0.41 105.19 115.38 2br5 n GLY 89 Ca -0.17 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 2br5 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br5 n VAL 90 N 0.23 0.79 0.00 1.61 0.31 -1.25 -4.66 118.33 115.36 2br5 n VAL 90 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2br5 n VAL 90 Cb 0.00 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 2br5 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br5 n TYR 91 N -3.56 0.00 1.66 3.52 9.36 -1.26 -2.71 117.16 124.16 2br5 n TYR 91 Ca -0.14 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.23 2br5 n TYR 91 Cb 0.48 0.00 0.67 0.00 -0.63 0.00 0.00 39.34 39.86 2br5 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br5 n ASN 92 N 10.01 0.89 0.00 2.98 6.94 -1.25 -2.97 115.26 131.86 2br5 n ASN 92 Ca 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 54.58 53.33 2br5 n ASN 92 Cb 0.00 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2br5 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br5 n GLY 93 N 1.13 0.60 0.19 4.83 0.00 -1.10 -1.80 105.19 109.04 2br5 n GLY 93 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 2br5 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br5 h GLY 94 N 0.00 0.52 1.00 -0.02 0.00 -1.82 -1.46 103.07 101.28 2br5 h GLY 94 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2br5 h GLY 94 CO 0.00 -0.08 0.10 1.76 0.00 0.00 0.00 176.54 178.32 2br5 h SER 95 N 0.18 0.19 -0.51 0.19 0.02 -1.88 -0.85 113.55 110.89 2br5 h SER 95 Ca 0.23 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 2br5 h SER 95 Cb 0.31 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.72 2br5 h SER 95 CO -0.33 0.14 0.01 -0.07 -1.14 0.00 0.00 176.83 175.44 2br5 h LEU 96 N 0.21 -0.19 -0.62 5.07 4.07 -1.83 0.85 115.31 122.87 2br5 h LEU 96 Ca 0.06 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 2br5 h LEU 96 Cb -0.02 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 2br5 h LEU 96 CO -0.01 -0.06 0.31 0.00 -1.08 0.00 0.00 178.44 177.59 2br5 h ALA 97 N 1.45 0.80 -0.56 1.53 0.00 -1.02 -2.32 119.26 119.14 2br5 h ALA 97 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2br5 h ALA 97 Cb 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2br5 h ALA 97 CO -0.41 0.35 0.16 2.35 0.00 0.00 0.00 179.25 181.69 2br5 h TRP 98 N 0.85 0.92 -0.17 0.00 7.01 -0.44 -2.02 115.95 122.08 2br5 h TRP 98 Ca 0.21 -0.10 -0.10 0.00 2.11 0.00 0.00 58.89 61.02 2br5 h TRP 98 Cb 0.10 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 2br5 h TRP 98 CO -0.00 0.78 -0.28 0.74 -2.79 0.00 0.00 178.44 176.90 2br5 h PHE 99 N 0.78 0.61 -0.60 2.65 0.05 -0.77 -0.02 116.94 119.64 2br5 h PHE 99 Ca 0.18 -0.21 0.00 0.00 3.82 0.00 0.00 57.97 61.76 2br5 h PHE 99 Cb 0.31 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 38.11 2br5 h PHE 99 CO 0.02 0.91 0.39 -0.09 -0.18 0.00 0.00 178.31 179.36 2br5 h ARG 100 N 0.14 0.79 -0.04 1.51 1.12 -1.41 -1.07 114.38 115.42 2br5 h ARG 100 Ca 0.02 -0.05 -0.11 0.00 -1.11 0.00 0.00 59.98 58.72 2br5 h ARG 100 Cb 0.85 -0.18 0.01 0.00 -0.01 0.00 0.00 29.97 30.64 2br5 h ARG 100 CO 0.06 0.53 -0.41 -0.44 -3.11 0.00 0.00 179.97 176.60 2br5 h ASP 101 N 0.81 0.43 -0.49 -3.80 3.32 -1.13 -2.66 116.42 112.90 2br5 h ASP 101 Ca 0.22 -0.71 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 2br5 h ASP 101 Cb -0.08 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2br5 h ASP 101 CO -0.05 1.07 0.05 0.25 -1.72 0.00 0.00 179.24 178.84 2br5 h LEU 102 N -0.18 0.81 -1.15 1.55 5.85 -0.68 -1.24 115.31 120.28 2br5 h LEU 102 Ca -0.04 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.43 2br5 h LEU 102 Cb 1.10 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2br5 h LEU 102 CO 0.08 0.89 0.58 0.71 -0.34 0.00 0.00 178.44 180.37 2br5 h THR 103 N 0.71 1.15 0.03 1.05 1.35 -1.31 -2.70 112.91 113.19 2br5 h THR 103 Ca 0.15 -0.38 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2br5 h THR 103 Cb 0.45 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 2br5 h THR 103 CO 0.02 0.20 -0.01 0.50 -0.25 0.00 0.00 175.52 175.98 2br5 h LYS 104 N 1.11 -0.04 -0.84 4.72 3.64 -0.88 -1.85 116.57 122.43 2br5 h LYS 104 Ca 0.35 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.93 2br5 h LYS 104 Cb 0.02 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 2br5 h LYS 104 CO -0.11 0.32 0.56 0.82 -2.27 0.00 0.00 179.45 178.78 2br5 h ILE 105 N -0.39 0.70 -0.08 2.00 2.04 -1.38 -2.57 117.51 117.82 2br5 h ILE 105 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2br5 h ILE 105 Cb 0.37 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2br5 h ILE 105 CO 0.01 0.06 0.00 0.23 0.00 0.00 0.00 178.15 178.45 2br5 n MET 106 N -4.46 1.49 -1.75 2.37 2.81 -0.91 -4.93 117.12 111.74 2br5 n MET 106 Ca 0.17 -0.73 -0.14 0.00 -1.81 0.00 0.00 57.70 55.19 2br5 n MET 106 Cb 0.68 -1.40 -0.04 0.00 -0.71 0.00 0.00 33.22 31.75 2br5 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br5 n GLY 107 N 1.06 0.84 3.69 3.03 0.00 -0.97 -5.00 105.19 107.84 2br5 n GLY 107 Ca 0.17 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2br5 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br5 s ILE 108 N -2.61 5.29 -1.12 -0.61 1.01 -0.74 -5.03 121.20 117.39 2br5 s ILE 108 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.61 2br5 s ILE 108 Cb 0.00 -3.43 0.09 0.00 0.01 0.00 0.00 42.46 39.12 2br5 s ILE 108 CO 0.00 0.41 1.49 -0.62 0.00 0.00 0.00 174.94 176.21 2br5 s ASP 109 N 0.64 6.70 -0.12 3.58 3.68 -1.26 -4.37 116.67 125.52 2br5 s ASP 109 Ca 0.07 -2.06 0.02 0.00 2.13 0.00 0.00 52.55 52.71 2br5 s ASP 109 Cb -0.12 -2.52 -0.00 0.00 -1.45 0.00 0.00 42.92 38.82 2br5 s ASP 109 CO 0.01 -1.23 -0.19 0.00 0.13 0.00 0.00 175.17 173.88 2br5 s GLN 111 N 0.46 4.32 -0.25 0.00 -1.52 -0.50 -4.88 119.66 117.30 2br5 s GLN 111 Ca -0.13 0.71 0.01 0.00 -1.95 0.00 0.00 55.36 54.00 2br5 s GLN 111 Cb -0.17 -3.36 0.05 0.00 -0.22 0.00 0.00 33.01 29.31 2br5 s GLN 111 CO 0.06 0.32 -0.10 0.08 -0.25 0.00 0.00 175.29 175.39 2br5 s VAL 112 N -0.00 2.37 -0.14 1.09 1.01 0.23 -0.97 120.40 123.99 2br5 s VAL 112 Ca 0.31 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2br5 s VAL 112 Cb -0.18 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2br5 s VAL 112 CO 0.16 0.10 -0.08 -0.63 0.00 0.00 0.00 175.10 174.65 2br5 s ILE 113 N 1.19 3.52 -0.13 2.22 1.01 -0.38 -1.41 121.20 127.22 2br5 s ILE 113 Ca -0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 2br5 s ILE 113 Cb -0.18 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2br5 s ILE 113 CO -0.06 0.51 -0.00 -0.83 0.00 0.00 0.00 174.94 174.56 2br5 s GLY 114 N 0.29 1.80 -0.08 6.18 0.00 0.05 -1.21 107.32 114.35 2br5 s GLY 114 Ca -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.89 2br5 s GLY 114 CO 0.04 -0.25 -0.18 -0.42 0.00 0.00 0.00 173.10 172.29 2br5 s ILE 115 N -0.14 1.60 -0.14 0.90 1.01 -0.74 -1.02 121.20 122.66 2br5 s ILE 115 Ca 0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 59.66 2br5 s ILE 115 Cb -0.13 -1.41 0.07 0.00 0.01 0.00 0.00 42.46 41.00 2br5 s ILE 115 CO 0.02 0.46 0.68 -0.62 0.00 0.00 0.00 174.94 175.48 2br5 s ASP 116 N 0.48 -0.68 0.50 3.58 -1.08 -0.99 0.55 116.67 119.04 2br5 s ASP 116 Ca -0.16 1.01 0.29 0.00 -0.52 0.00 0.00 52.55 53.17 2br5 s ASP 116 Cb -0.17 0.93 1.11 0.00 -1.46 0.00 0.00 42.92 43.33 2br5 s ASP 116 CO 0.06 -0.44 1.89 0.08 0.52 0.00 0.00 175.17 177.28 2br5 h ARG 117 N 3.93 0.00 -3.03 4.34 -0.00 -1.79 -2.10 114.38 115.74 2br5 h ARG 117 Ca -0.28 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 59.14 2br5 h ARG 117 Cb 1.15 0.00 -0.40 0.00 -0.00 0.00 0.00 29.97 30.72 2br5 h ARG 117 CO 0.24 0.07 -0.78 0.34 -0.00 0.00 0.00 179.97 179.85 2br5 s ASP 118 N -5.91 3.62 0.00 0.08 2.15 -1.26 -4.64 116.67 110.71 2br5 s ASP 118 Ca 0.02 -1.69 0.17 0.00 0.43 0.00 0.00 52.55 51.48 2br5 s ASP 118 Cb 0.09 -0.60 0.50 0.00 -0.30 0.00 0.00 42.92 42.61 2br5 s ASP 118 CO 0.59 -0.39 1.41 0.18 -0.17 0.00 0.00 175.17 176.78 2br5 n LEU 119 N 4.74 2.46 0.11 -1.34 4.77 -1.26 -4.43 117.00 122.05 2br5 n LEU 119 Ca -0.00 -1.17 0.03 0.00 -0.03 0.00 0.00 56.01 54.84 2br5 n LEU 119 Cb 0.40 -0.26 0.42 0.00 -2.33 0.00 0.00 43.42 41.66 2br5 n LEU 119 CO 0.10 0.58 0.97 -1.28 -1.33 0.00 0.00 177.39 176.43 2br5 h SER 120 N 2.88 0.26 -0.55 -1.43 0.87 -1.93 -3.04 113.55 110.62 2br5 h SER 120 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2br5 h SER 120 Cb 0.65 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2br5 h SER 120 CO 0.00 0.34 0.00 0.54 -0.53 0.00 0.00 176.83 177.18 2br5 n ARG 121 N -4.35 3.07 -2.51 2.24 1.74 -1.26 -4.90 116.66 110.69 2br5 n ARG 121 Ca -0.00 -2.30 -0.42 0.00 -0.77 0.00 0.00 57.85 54.36 2br5 n ARG 121 Cb 0.20 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 2br5 n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2br5 n GLN 123 N 4.78 1.92 -2.14 0.00 1.13 -0.74 -4.95 117.38 117.37 2br5 n GLN 123 Ca 0.10 -1.84 -0.42 0.00 -1.94 0.00 0.00 57.00 52.90 2br5 n GLN 123 Cb 0.47 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.42 2br5 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br5 s ILE 124 N -1.34 3.28 0.69 5.09 1.01 -1.26 -4.98 121.20 123.69 2br5 s ILE 124 Ca 0.26 0.89 -0.15 0.00 0.00 0.00 0.00 60.65 61.65 2br5 s ILE 124 Cb 0.17 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 39.09 2br5 s ILE 124 CO 0.24 0.06 1.17 -2.84 0.00 0.00 0.00 174.94 173.56 2br5 s PRO 125 N 1.37 2.45 0.38 2.79 0.02 -1.26 -4.93 135.00 135.81 2br5 s PRO 125 Ca 0.66 1.62 0.12 0.00 0.02 0.00 0.00 61.00 63.42 2br5 s PRO 125 Cb -0.37 -1.89 0.74 0.00 0.02 0.00 0.00 34.50 33.01 2br5 s PRO 125 CO 0.30 -1.57 1.84 0.00 -0.33 0.00 0.00 177.00 177.24 2br5 h ALA 126 N -0.09 1.41 0.00 -1.55 0.00 -2.00 -2.92 119.26 114.11 2br5 h ALA 126 Ca -0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2br5 h ALA 126 Cb 1.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2br5 h ALA 126 CO 0.52 0.44 -0.07 0.66 0.00 0.00 0.00 179.25 180.80 2br5 h SER 127 N 0.02 0.00 -1.86 0.00 4.64 -2.03 -3.30 113.55 111.02 2br5 h SER 127 Ca -0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2br5 h SER 127 Cb 0.62 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.36 2br5 h SER 127 CO 0.05 0.07 0.18 -0.67 -0.87 0.00 0.00 176.83 175.58 2br5 n ASP 128 N -4.41 6.09 -0.59 4.97 2.03 -1.10 -4.71 116.55 118.82 2br5 n ASP 128 Ca -0.03 -3.76 0.04 0.00 0.52 0.00 0.00 54.79 51.56 2br5 n ASP 128 Cb 0.15 -0.78 0.06 0.00 -0.72 0.00 0.00 41.12 39.83 2br5 n ASP 128 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2br5 n MET 129 N -0.44 0.48 -1.96 -0.67 1.56 -1.24 -4.78 117.12 110.06 2br5 n MET 129 Ca 0.45 -1.81 -0.39 0.00 -0.27 0.00 0.00 57.70 55.68 2br5 n MET 129 Cb 0.42 -0.77 0.01 0.00 2.15 0.00 0.00 33.22 35.03 2br5 n MET 129 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2br5 s GLU 130 N -1.05 3.66 -1.77 2.12 2.12 -1.26 -3.20 118.70 119.32 2br5 s GLU 130 Ca 0.18 2.17 0.00 0.00 0.36 0.00 0.00 54.97 57.68 2br5 s GLU 130 Cb 0.18 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 32.02 2br5 s GLU 130 CO -0.03 -0.75 0.00 0.09 -0.54 0.00 0.00 175.26 174.02 2br5 n ASN 131 N -0.34 -4.70 -4.00 -1.70 3.02 -1.26 -4.94 115.26 101.34 2br5 n ASN 131 Ca 0.06 0.41 -0.31 0.00 -0.03 0.00 0.00 54.58 54.72 2br5 n ASN 131 Cb 0.44 -4.13 -0.16 0.00 -0.61 0.00 0.00 39.78 35.32 2br5 n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2br5 s ILE 132 N -2.41 1.67 -0.01 2.41 1.01 -1.19 -0.60 121.20 122.08 2br5 s ILE 132 Ca 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.68 2br5 s ILE 132 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2br5 s ILE 132 CO 0.00 0.18 -0.13 0.42 0.00 0.00 0.00 174.94 175.41 2br5 s THR 133 N 1.39 3.19 -0.06 2.92 -4.23 -0.50 -4.99 115.64 113.36 2br5 s THR 133 Ca -0.01 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2br5 s THR 133 Cb -0.16 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 2br5 s THR 133 CO -0.08 0.46 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.57 2br5 s LEU 134 N -1.14 2.81 -0.09 4.79 1.43 -1.26 -0.77 118.68 124.45 2br5 s LEU 134 Ca 0.14 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2br5 s LEU 134 Cb -0.11 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2br5 s LEU 134 CO 0.04 0.33 -0.12 -1.00 0.23 0.00 0.00 176.35 175.83 2br5 s HIS 135 N -0.60 1.58 0.26 0.29 3.76 -0.19 -4.96 115.29 115.41 2br5 s HIS 135 Ca 0.09 -0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 54.03 2br5 s HIS 135 Cb -0.11 -1.19 -0.09 0.00 1.11 0.00 0.00 32.58 32.30 2br5 s HIS 135 CO 0.01 -0.38 0.97 -0.65 -0.85 0.00 0.00 174.74 173.85 2br5 s GLN 136 N 0.99 4.78 0.00 1.40 -0.21 -1.26 -2.35 119.66 123.02 2br5 s GLN 136 Ca -0.08 1.54 0.00 0.00 0.02 0.00 0.00 55.36 56.84 2br5 s GLN 136 Cb -0.15 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.65 2br5 s GLN 136 CO -0.00 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 2br5 n GLY 137 N 1.34 2.72 3.87 3.09 0.00 -0.79 -4.92 105.19 110.51 2br5 n GLY 137 Ca -0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2br5 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2br5 s ASP 138 N 0.00 6.12 0.40 1.61 -1.08 -1.26 -2.48 116.67 119.98 2br5 s ASP 138 Ca 0.00 0.20 0.24 0.00 -0.52 0.00 0.00 52.55 52.47 2br5 s ASP 138 Cb 0.00 -1.83 0.49 0.00 -1.46 0.00 0.00 42.92 40.12 2br5 s ASP 138 CO 0.00 0.19 1.66 0.00 0.52 0.00 0.00 175.17 177.54 2br5 h SER 140 N 0.00 0.45 -4.29 0.00 0.02 -1.94 -3.43 113.55 104.35 2br5 h SER 140 Ca 0.00 0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 60.28 2br5 h SER 140 Cb 0.92 -0.06 -0.30 0.00 0.14 0.00 0.00 62.40 63.09 2br5 h SER 140 CO 0.00 0.23 -0.88 -0.62 -1.14 0.00 0.00 176.83 174.42 2br5 s ASP 141 N -5.91 3.15 0.00 3.07 -1.08 -1.14 -5.06 116.67 109.70 2br5 s ASP 141 Ca -0.08 -0.47 0.23 0.00 -0.52 0.00 0.00 52.55 51.71 2br5 s ASP 141 Cb 0.21 -0.61 0.18 0.00 -1.46 0.00 0.00 42.92 41.24 2br5 s ASP 141 CO 0.77 0.29 1.19 0.18 0.52 0.00 0.00 175.17 178.12 2br5 n LEU 142 N 2.67 0.72 0.27 -1.34 4.32 -1.26 -3.88 117.00 118.50 2br5 n LEU 142 Ca -0.17 -0.22 0.15 0.00 -0.02 0.00 0.00 56.01 55.75 2br5 n LEU 142 Cb 0.52 -0.14 0.77 0.00 -1.62 0.00 0.00 43.42 42.95 2br5 n LEU 142 CO 0.24 0.18 1.00 0.71 -1.22 0.00 0.00 177.39 178.30 2br5 h THR 143 N 0.00 0.36 -0.47 -5.08 1.35 -1.97 -2.21 112.91 104.90 2br5 h THR 143 Ca 0.00 -0.50 0.08 0.00 -0.55 0.00 0.00 66.41 65.44 2br5 h THR 143 Cb 0.50 1.36 -0.10 0.00 -1.73 0.00 0.00 68.15 68.18 2br5 h THR 143 CO 0.00 0.08 -0.41 0.74 -0.25 0.00 0.00 175.52 175.69 2br5 h THR 144 N 0.00 0.13 0.00 6.82 2.02 -1.86 -2.60 112.91 117.41 2br5 h THR 144 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2br5 h THR 144 Cb 0.35 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2br5 h THR 144 CO 0.01 0.00 -0.48 -0.26 0.37 0.00 0.00 175.52 175.16 2br5 h PHE 145 N -0.27 0.00 0.00 3.16 -1.00 -1.71 -3.30 116.94 113.82 2br5 h PHE 145 Ca 0.16 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 2br5 h PHE 145 Cb 0.57 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 2br5 h PHE 145 CO -0.64 0.30 -0.06 0.93 -1.61 0.00 0.00 178.31 177.23 2br5 h GLU 146 N 0.00 0.00 -0.07 1.51 5.08 -1.02 -2.15 114.58 117.93 2br5 h GLU 146 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2br5 h GLU 146 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2br5 h GLU 146 CO 0.04 0.06 0.00 1.58 -1.00 0.00 0.00 179.01 179.69 2br5 n HIS 147 N -3.59 0.07 -1.48 4.33 -0.00 -1.17 -4.78 115.22 108.60 2br5 n HIS 147 Ca -0.02 -0.03 -0.44 0.00 0.46 0.00 0.00 57.72 57.68 2br5 n HIS 147 Cb 0.18 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.96 2br5 n HIS 147 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2br5 n LEU 148 N 0.55 1.59 -3.61 0.27 -0.00 -0.81 -4.80 117.00 110.19 2br5 n LEU 148 Ca 0.17 0.09 -0.41 0.00 -0.00 0.00 0.00 56.01 55.86 2br5 n LEU 148 Cb 0.42 -1.24 -0.01 0.00 -0.00 0.00 0.00 43.42 42.59 2br5 n LEU 148 CO 0.16 -0.98 2.89 -1.14 -0.00 0.00 0.00 177.39 178.32 2br5 n ARG 149 N 8.49 3.11 -1.47 1.96 3.00 -1.26 -4.60 116.66 125.89 2br5 n ARG 149 Ca 0.48 -2.50 -0.07 0.00 -0.00 0.00 0.00 57.85 55.75 2br5 n ARG 149 Cb 0.25 -3.14 0.01 0.00 0.00 0.00 0.00 32.46 29.58 2br5 n ARG 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2br5 n GLU 150 N 5.34 -0.36 -1.18 -0.14 4.71 -1.26 -4.91 120.64 122.84 2br5 n GLU 150 Ca 0.60 0.28 -0.31 0.00 -0.01 0.00 0.00 57.16 57.72 2br5 n GLU 150 Cb 0.34 -0.39 0.12 0.00 -1.01 0.00 0.00 31.44 30.50 2br5 n GLU 150 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2br5 s MET 151 N -0.48 1.74 0.76 3.49 -1.94 -1.26 -5.01 119.30 116.59 2br5 s MET 151 Ca 0.07 1.07 -0.11 0.00 -1.71 0.00 0.00 55.69 55.01 2br5 s MET 151 Cb -0.01 -1.84 0.05 0.00 2.01 0.00 0.00 34.83 35.03 2br5 s MET 151 CO 0.16 -1.98 1.08 0.00 -0.01 0.00 0.00 175.02 174.27 2br5 s ALA 152 N -2.88 2.37 0.31 3.03 0.00 -1.26 -5.02 121.76 118.31 2br5 s ALA 152 Ca 0.63 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.70 2br5 s ALA 152 Cb -0.18 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 2br5 s ALA 152 CO 0.57 -1.57 -0.09 -1.01 0.00 0.00 0.00 175.76 173.65 2br5 s HIS 153 N -3.05 2.44 1.08 0.00 3.76 -1.26 -3.60 115.29 114.67 2br5 s HIS 153 Ca 0.60 -0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 54.99 2br5 s HIS 153 Cb -0.15 -1.25 0.24 0.00 1.11 0.00 0.00 32.58 32.52 2br5 s HIS 153 CO 0.55 0.61 1.06 -1.25 -0.85 0.00 0.00 174.74 174.86 2br5 s PRO 154 N -3.61 -0.28 -0.01 8.40 0.04 -1.26 -4.25 135.00 134.03 2br5 s PRO 154 Ca 0.32 0.70 0.01 0.00 0.04 0.00 0.00 61.00 62.07 2br5 s PRO 154 Cb -0.02 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.89 2br5 s PRO 154 CO 0.17 -3.25 -0.02 -1.17 0.04 0.00 0.00 177.00 172.77 2br5 s LEU 155 N -6.86 1.72 -0.20 -3.56 0.20 -1.26 -0.67 118.68 108.05 2br5 s LEU 155 Ca 0.67 -0.04 -0.04 0.00 0.69 0.00 0.00 54.13 55.41 2br5 s LEU 155 Cb -0.22 -0.17 -0.02 0.00 -0.43 0.00 0.00 46.19 45.36 2br5 s LEU 155 CO 0.61 -0.01 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.99 2br5 s ILE 156 N 0.30 3.56 -0.16 6.68 1.01 -0.11 -1.24 121.20 131.24 2br5 s ILE 156 Ca -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 2br5 s ILE 156 Cb -0.05 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 2br5 s ILE 156 CO -0.01 0.44 -0.05 0.12 0.00 0.00 0.00 174.94 175.44 2br5 s PHE 157 N 1.14 2.98 -0.09 3.97 5.36 0.06 -0.78 117.98 130.61 2br5 s PHE 157 Ca 0.02 -0.45 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 2br5 s PHE 157 Cb -0.15 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.58 2br5 s PHE 157 CO -0.00 -0.15 -0.14 0.42 -1.46 0.00 0.00 175.22 173.89 2br5 s ILE 158 N 0.55 1.36 -0.31 3.12 1.01 -0.43 -0.25 121.20 126.25 2br5 s ILE 158 Ca -0.04 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 2br5 s ILE 158 Cb -0.15 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2br5 s ILE 158 CO 0.03 0.41 0.36 -0.62 0.00 0.00 0.00 174.94 175.11 2br5 s ASP 159 N 0.80 6.20 0.00 3.58 -1.08 0.05 0.02 116.67 126.23 2br5 s ASP 159 Ca -0.11 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 2br5 s ASP 159 Cb -0.16 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2br5 s ASP 159 CO 0.02 -0.26 0.00 0.59 0.52 0.00 0.00 175.17 176.04 2br5 n ASN 160 N 5.35 3.10 -4.89 -0.34 3.02 0.45 -2.79 115.26 119.16 2br5 n ASN 160 Ca -0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.16 2br5 n ASN 160 Cb 0.50 0.54 0.05 0.00 -0.61 0.00 0.00 39.78 40.26 2br5 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br5 s ALA 161 N -1.34 2.89 0.00 5.41 0.00 -0.83 -4.88 121.76 123.01 2br5 s ALA 161 Ca 0.00 -0.38 0.14 0.00 0.00 0.00 0.00 51.96 51.72 2br5 s ALA 161 Cb 0.00 -3.01 0.22 0.00 0.00 0.00 0.00 23.12 20.34 2br5 s ALA 161 CO 0.00 -1.16 1.08 0.72 0.00 0.00 0.00 175.76 176.40 2br5 n HIS 162 N -3.02 0.00 -3.24 0.00 -0.00 -1.26 -4.86 115.22 102.84 2br5 n HIS 162 Ca 0.07 -0.27 -0.31 0.00 -0.00 0.00 0.00 57.72 57.21 2br5 n HIS 162 Cb 0.57 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.99 30.43 2br5 n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2br5 s ALA 163 N 0.00 3.49 -0.75 -1.41 0.00 -1.26 -4.18 121.76 117.65 2br5 s ALA 163 Ca 0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 2br5 s ALA 163 Cb 0.20 -2.52 0.05 0.00 0.00 0.00 0.00 23.12 20.85 2br5 s ALA 163 CO -0.09 0.33 0.19 -1.71 0.00 0.00 0.00 175.76 174.47 2br5 n ASN 164 N -0.56 -2.29 0.00 0.00 4.05 -1.26 -4.81 115.26 110.40 2br5 n ASN 164 Ca 0.01 0.01 -0.03 0.00 0.45 0.00 0.00 54.58 55.02 2br5 n ASN 164 Cb 0.53 -2.00 0.21 0.00 1.23 0.00 0.00 39.78 39.75 2br5 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br5 h THR 165 N -0.33 1.25 0.02 -0.44 2.02 -1.92 -1.72 112.91 111.79 2br5 h THR 165 Ca -0.23 -1.19 -0.21 0.00 0.77 0.00 0.00 66.41 65.55 2br5 h THR 165 Cb 1.16 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2br5 h THR 165 CO 0.31 0.38 -0.92 -0.26 0.37 0.00 0.00 175.52 175.40 2br5 h PHE 166 N 0.46 0.29 -0.14 3.16 -1.00 -1.93 -2.36 116.94 115.42 2br5 h PHE 166 Ca 0.07 -0.17 -0.14 0.00 2.81 0.00 0.00 57.97 60.55 2br5 h PHE 166 Cb 0.61 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 2br5 h PHE 166 CO 0.02 1.01 -0.52 -0.91 -1.61 0.00 0.00 178.31 176.30 2br5 h ASN 167 N 0.09 0.43 -0.05 2.17 2.35 -1.92 -2.44 115.58 116.21 2br5 h ASN 167 Ca -0.05 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.44 2br5 h ASN 167 Cb 1.58 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 2br5 h ASN 167 CO 0.14 0.87 -0.06 0.40 -1.65 0.00 0.00 177.43 177.13 2br5 h ILE 168 N 0.30 1.15 -0.09 2.81 2.04 -1.22 -2.39 117.51 120.12 2br5 h ILE 168 Ca 0.01 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 2br5 h ILE 168 Cb 1.02 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2br5 h ILE 168 CO 0.09 0.20 -0.18 -0.03 0.00 0.00 0.00 178.15 178.23 2br5 h MET 169 N 0.26 0.27 -0.18 2.37 4.05 -1.28 -1.78 114.93 118.65 2br5 h MET 169 Ca 0.06 -0.18 0.05 0.00 -0.28 0.00 0.00 59.70 59.35 2br5 h MET 169 Cb 0.28 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2br5 h MET 169 CO 0.01 0.77 0.13 1.57 0.23 0.00 0.00 176.91 179.63 2br5 h LYS 170 N -0.19 0.00 -0.02 0.39 5.09 -1.29 -1.71 116.57 118.85 2br5 h LYS 170 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.67 2br5 h LYS 170 Cb 0.77 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.10 2br5 h LYS 170 CO 0.04 0.00 -0.28 2.35 -2.09 0.00 0.00 179.45 179.47 2br5 h TRP 171 N 0.00 0.31 -0.93 0.07 7.01 -1.37 -3.08 115.95 117.96 2br5 h TRP 171 Ca 0.08 -0.16 0.08 0.00 2.11 0.00 0.00 58.89 61.00 2br5 h TRP 171 Cb 0.35 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.30 2br5 h TRP 171 CO 0.00 0.94 0.60 0.00 -2.79 0.00 0.00 178.44 177.18 2br5 h ALA 172 N 0.31 1.53 -0.30 2.65 0.00 -0.68 -1.06 119.26 121.70 2br5 h ALA 172 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2br5 h ALA 172 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2br5 h ALA 172 CO 0.06 0.31 0.01 0.28 0.00 0.00 0.00 179.25 179.90 2br5 h VAL 173 N 1.01 1.25 0.11 0.00 2.07 -1.42 0.33 116.25 119.60 2br5 h VAL 173 Ca 0.41 -0.92 -0.26 0.00 0.82 0.00 0.00 66.70 66.74 2br5 h VAL 173 Cb 0.28 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2br5 h VAL 173 CO -0.17 0.30 -1.20 0.44 0.02 0.00 0.00 177.57 176.96 2br5 h ASP 174 N 0.33 0.40 0.00 0.57 3.32 -1.33 -3.40 116.42 116.30 2br5 h ASP 174 Ca 0.09 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2br5 h ASP 174 Cb 0.42 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2br5 h ASP 174 CO 0.01 1.31 -0.34 1.41 -1.72 0.00 0.00 179.24 179.92 2br5 n HIS 175 N -3.54 0.00 0.00 4.55 8.25 -0.45 -4.93 115.22 119.10 2br5 n HIS 175 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2br5 n HIS 175 Cb 1.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.11 2br5 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br5 n LEU 176 N -1.12 0.42 -4.86 2.41 7.94 -0.84 -5.05 117.00 115.89 2br5 n LEU 176 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 2br5 n LEU 176 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2br5 n LEU 176 CO 0.00 0.04 0.51 -0.76 -1.11 0.00 0.00 177.39 176.06 2br5 s LEU 177 N -5.77 3.81 0.30 -1.96 1.43 0.11 -5.04 118.68 111.57 2br5 s LEU 177 Ca 0.00 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2br5 s LEU 177 Cb 0.00 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 2br5 s LEU 177 CO 0.00 -0.42 0.11 -1.61 0.23 0.00 0.00 176.35 174.66 2br5 s GLU 178 N -3.78 1.58 0.08 1.70 2.02 -1.26 -4.94 118.70 114.10 2br5 s GLU 178 Ca 0.54 -1.89 -0.34 0.00 0.02 0.00 0.00 54.97 53.30 2br5 s GLU 178 Cb -0.10 -0.38 -0.13 0.00 0.10 0.00 0.00 34.13 33.61 2br5 s GLU 178 CO 0.29 -0.34 1.68 -1.91 0.02 0.00 0.00 175.26 175.00 2br5 n GLU 179 N -0.60 2.17 -0.09 1.61 2.13 -1.26 -1.43 120.64 123.17 2br5 n GLU 179 Ca -0.01 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2br5 n GLU 179 Cb 0.66 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.78 2br5 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2br5 n GLY 180 N 3.74 1.65 3.80 8.31 0.00 -0.58 -5.00 105.19 117.12 2br5 n GLY 180 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2br5 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br5 s ASP 181 N -3.17 6.28 -0.04 1.61 1.11 -0.51 -4.78 116.67 117.18 2br5 s ASP 181 Ca 0.00 1.92 -0.03 0.00 0.18 0.00 0.00 52.55 54.62 2br5 s ASP 181 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2br5 s ASP 181 CO 0.00 -0.82 0.13 -0.31 1.18 0.00 0.00 175.17 175.35 2br5 s TYR 182 N -2.02 3.45 -0.21 4.23 1.51 -0.37 -0.98 117.35 122.96 2br5 s TYR 182 Ca 0.67 0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 57.06 2br5 s TYR 182 Cb -0.16 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 39.92 2br5 s TYR 182 CO 0.22 0.63 -0.00 0.12 -1.11 0.00 0.00 175.55 175.40 2br5 s PHE 183 N -1.18 1.62 -0.18 2.71 5.36 0.59 -0.76 117.98 126.13 2br5 s PHE 183 Ca 0.22 -1.24 0.01 0.00 -0.96 0.00 0.00 56.93 54.96 2br5 s PHE 183 Cb -0.12 -1.26 0.02 0.00 -0.34 0.00 0.00 43.02 41.32 2br5 s PHE 183 CO 0.13 -0.68 -0.19 0.42 -1.46 0.00 0.00 175.22 173.44 2br5 s ILE 184 N 1.66 2.00 -0.41 3.12 1.01 0.66 -2.08 121.20 127.16 2br5 s ILE 184 Ca -0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 2br5 s ILE 184 Cb -0.18 -1.82 0.03 0.00 0.01 0.00 0.00 42.46 40.50 2br5 s ILE 184 CO -0.07 0.51 0.28 -0.63 0.00 0.00 0.00 174.94 175.03 2br5 s ILE 185 N 1.31 5.00 0.30 2.92 1.01 -0.85 -0.77 121.20 130.11 2br5 s ILE 185 Ca 0.05 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.66 2br5 s ILE 185 Cb -0.13 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 2br5 s ILE 185 CO -0.12 -0.33 0.85 -1.61 0.00 0.00 0.00 174.94 173.73 2br5 s GLU 186 N 1.62 4.40 0.00 2.79 2.02 -1.12 -4.52 118.70 123.89 2br5 s GLU 186 Ca 0.04 1.11 0.00 0.00 0.02 0.00 0.00 54.97 56.14 2br5 s GLU 186 Cb -0.20 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.27 2br5 s GLU 186 CO 0.08 0.29 0.00 -0.25 0.02 0.00 0.00 175.26 175.40 2br5 n ASP 187 N 0.47 0.00 0.06 -0.19 8.00 0.14 -4.61 116.55 120.43 2br5 n ASP 187 Ca 0.01 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.58 2br5 n ASP 187 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 2br5 n ASP 187 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2br5 n MET 188 N 0.00 0.62 -0.13 -1.24 1.56 -1.26 -4.44 117.12 112.23 2br5 n MET 188 Ca 0.00 0.12 -0.09 0.00 -0.27 0.00 0.00 57.70 57.45 2br5 n MET 188 Cb 0.00 -1.78 -0.01 0.00 2.15 0.00 0.00 33.22 33.58 2br5 n MET 188 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2br5 h ILE 189 N 0.00 1.21 -0.04 1.12 2.04 -1.82 -0.39 117.51 119.63 2br5 h ILE 189 Ca -0.07 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2br5 h ILE 189 Cb 1.21 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2br5 h ILE 189 CO 0.01 0.25 0.03 -0.65 0.00 0.00 0.00 178.15 177.79 2br5 h PRO 190 N 0.47 0.00 0.10 2.37 0.11 -1.82 -1.27 132.00 131.97 2br5 h PRO 190 Ca 0.12 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.94 2br5 h PRO 190 Cb 0.26 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.40 2br5 h PRO 190 CO -0.00 0.00 -1.22 1.88 -0.21 0.00 0.00 178.00 178.44 2br5 h TYR 191 N 0.00 1.03 0.00 0.65 -1.99 -1.58 -2.53 116.97 112.56 2br5 h TYR 191 Ca 0.02 -0.64 -0.02 0.00 2.00 0.00 0.00 58.73 60.09 2br5 h TYR 191 Cb 0.08 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 2br5 h TYR 191 CO 0.00 1.47 -0.09 -1.49 -0.00 0.00 0.00 178.16 178.06 2br5 h TRP 192 N 0.30 0.00 0.10 4.88 6.55 -0.69 -2.34 115.95 124.75 2br5 h TRP 192 Ca -0.18 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.36 2br5 h TRP 192 Cb 1.89 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.18 2br5 h TRP 192 CO 0.11 0.09 -1.47 -0.92 -1.05 0.00 0.00 178.44 175.20 2br5 h TYR 193 N 0.00 0.38 -0.14 0.49 3.20 -1.24 -1.21 116.97 118.44 2br5 h TYR 193 Ca -0.00 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.59 2br5 h TYR 193 Cb 0.22 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2br5 h TYR 193 CO 0.00 1.31 0.05 -0.09 -1.64 0.00 0.00 178.16 177.79 2br5 h ARG 194 N 0.06 0.21 0.23 1.82 2.43 -1.32 -2.74 114.38 115.07 2br5 h ARG 194 Ca -0.21 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 58.58 2br5 h ARG 194 Cb 1.99 -0.03 0.03 0.00 -0.42 0.00 0.00 29.97 31.54 2br5 h ARG 194 CO 0.16 0.31 -1.50 1.88 -1.51 0.00 0.00 179.97 179.31 2br5 h TYR 195 N 0.06 0.89 -2.06 2.20 0.99 -1.52 -3.38 116.97 114.15 2br5 h TYR 195 Ca 0.05 -0.65 -0.55 0.00 2.00 0.00 0.00 58.73 59.57 2br5 h TYR 195 Cb 0.18 -0.04 -0.41 0.00 1.00 0.00 0.00 36.73 37.46 2br5 h TYR 195 CO -0.01 1.58 -0.82 0.00 -0.00 0.00 0.00 178.16 178.91 2br5 n ALA 196 N -2.76 3.99 -0.34 3.88 0.00 -0.46 -4.95 120.51 119.88 2br5 n ALA 196 Ca -0.19 -4.25 0.02 0.00 0.00 0.00 0.00 53.44 49.02 2br5 n ALA 196 Cb 1.08 -0.77 0.09 0.00 0.00 0.00 0.00 19.45 19.85 2br5 n ALA 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2br5 h PRO 197 N 2.94 -0.01 0.11 0.00 0.11 -1.64 0.23 132.00 133.73 2br5 h PRO 197 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2br5 h PRO 197 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2br5 h PRO 197 CO 0.73 -0.01 -0.05 1.96 -0.21 0.00 0.00 178.00 180.42 2br5 h GLN 198 N -0.01 -0.14 -0.14 1.05 4.20 -1.92 -2.96 115.11 115.18 2br5 h GLN 198 Ca 0.40 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.01 2br5 h GLN 198 Cb 0.65 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2br5 h GLN 198 CO -0.96 0.29 -0.34 -0.07 -0.67 0.00 0.00 178.83 177.08 2br5 h LEU 199 N -0.63 0.55 -1.33 1.46 3.38 -1.90 -2.18 115.31 114.66 2br5 h LEU 199 Ca -0.01 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.40 2br5 h LEU 199 Cb 0.50 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2br5 h LEU 199 CO 0.02 1.03 0.46 0.15 0.09 0.00 0.00 178.44 180.19 2br5 h PHE 200 N 0.11 0.86 0.00 1.13 3.57 -1.10 -2.15 116.94 119.35 2br5 h PHE 200 Ca -0.00 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2br5 h PHE 200 Cb 0.95 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2br5 h PHE 200 CO 0.10 0.53 -0.37 1.03 -2.23 0.00 0.00 178.31 177.37 2br5 h SER 201 N 0.91 0.00 -0.05 0.41 0.87 -1.37 -2.59 113.55 111.74 2br5 h SER 201 Ca 0.26 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.62 2br5 h SER 201 Cb -0.05 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2br5 h SER 201 CO -0.06 0.37 -0.78 -0.33 -0.53 0.00 0.00 176.83 175.49 2br5 h GLU 202 N 0.00 0.61 0.45 2.24 5.08 -1.03 -3.40 114.58 118.53 2br5 h GLU 202 Ca -0.00 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 2br5 h GLU 202 Cb 0.96 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2br5 h GLU 202 CO 0.05 1.21 -0.22 1.88 -1.00 0.00 0.00 179.01 180.93 2br5 h TYR 203 N 0.24 -0.56 -3.52 4.33 0.99 -1.27 -2.75 116.97 114.43 2br5 h TYR 203 Ca -0.09 -0.01 -0.53 0.00 2.00 0.00 0.00 58.73 60.10 2br5 h TYR 203 Cb 1.45 0.19 0.09 0.00 1.00 0.00 0.00 36.73 39.46 2br5 h TYR 203 CO 0.11 -0.35 0.86 -0.11 -0.00 0.00 0.00 178.16 178.68 2br5 n LEU 204 N -5.04 4.58 0.00 3.88 7.94 -0.99 -2.10 117.00 125.27 2br5 n LEU 204 Ca -0.07 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2br5 n LEU 204 Cb 0.24 -1.61 0.00 0.00 0.53 0.00 0.00 43.42 42.58 2br5 n LEU 204 CO 0.18 0.20 0.00 0.61 -1.11 0.00 0.00 177.39 177.27 2br5 n GLY 205 N 1.60 2.96 0.30 -3.96 0.00 -1.26 -4.65 105.19 100.18 2br5 n GLY 205 Ca 0.06 -0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.17 2br5 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2br5 h ALA 206 N 0.00 1.03 -0.86 4.61 0.00 -1.10 -2.09 119.26 120.84 2br5 h ALA 206 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.47 2br5 h ALA 206 Cb 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.54 2br5 h ALA 206 CO 0.00 0.02 0.54 1.19 0.00 0.00 0.00 179.25 180.99 2br5 n PHE 207 N -3.14 2.68 0.04 0.00 3.01 -1.24 -4.71 117.46 114.10 2br5 n PHE 207 Ca -0.01 -1.61 -0.05 0.00 1.01 0.00 0.00 57.45 56.78 2br5 n PHE 207 Cb 0.20 -0.84 0.14 0.00 -0.01 0.00 0.00 39.48 38.97 2br5 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br5 h ARG 208 N 1.15 0.40 0.00 -1.08 0.11 -1.61 -1.27 114.38 112.08 2br5 h ARG 208 Ca 0.52 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 60.38 2br5 h ARG 208 Cb 2.61 0.01 0.00 0.00 1.11 0.00 0.00 29.97 33.70 2br5 h ARG 208 CO 0.95 0.78 0.00 -0.44 0.10 0.00 0.00 179.97 181.36 2br5 h ASP 209 N 0.33 0.00 0.00 0.08 3.32 -1.84 -3.37 116.42 114.94 2br5 h ASP 209 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2br5 h ASP 209 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2br5 h ASP 209 CO 0.08 0.00 -0.63 1.33 -1.72 0.00 0.00 179.24 178.30 2br5 n VAL 210 N -2.45 0.00 -3.73 -1.35 0.24 -1.03 -4.85 118.33 105.16 2br5 n VAL 210 Ca 0.04 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 2br5 n VAL 210 Cb 0.37 0.72 -0.12 0.00 -1.47 0.00 0.00 33.84 33.33 2br5 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br5 s LEU 211 N -2.66 0.42 0.29 1.34 1.43 -0.51 -2.94 118.68 116.05 2br5 s LEU 211 Ca -0.00 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.78 2br5 s LEU 211 Cb 0.02 0.89 -0.04 0.00 0.03 0.00 0.00 46.19 47.08 2br5 s LEU 211 CO 0.11 -0.16 0.08 -0.94 0.23 0.00 0.00 176.35 175.67 2br5 s SER 212 N 1.07 4.79 -0.20 2.29 1.04 -0.84 -4.54 113.70 117.31 2br5 s SER 212 Ca -0.08 -0.60 -0.17 0.00 0.48 0.00 0.00 55.95 55.59 2br5 s SER 212 Cb -0.08 -0.93 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 2br5 s SER 212 CO -0.08 -0.10 0.44 -0.32 0.98 0.00 0.00 173.24 174.16 2br5 s MET 213 N -3.76 4.19 -0.62 4.02 1.75 -1.26 -1.51 119.30 122.11 2br5 s MET 213 Ca 0.34 0.28 -0.25 0.00 -1.25 0.00 0.00 55.69 54.80 2br5 s MET 213 Cb -0.06 -3.54 0.05 0.00 2.84 0.00 0.00 34.83 34.12 2br5 s MET 213 CO 0.22 -0.06 1.05 0.34 -0.65 0.00 0.00 175.02 175.92 2br5 s ASP 214 N 1.05 6.28 0.33 1.11 2.15 -0.47 -4.91 116.67 122.21 2br5 s ASP 214 Ca 0.21 -0.47 0.26 0.00 0.43 0.00 0.00 52.55 52.98 2br5 s ASP 214 Cb -0.15 -2.47 1.07 0.00 -0.30 0.00 0.00 42.92 41.07 2br5 s ASP 214 CO 0.09 -1.44 1.78 0.24 -0.17 0.00 0.00 175.17 175.67 2br5 h MET 215 N 9.55 0.00 -0.22 4.34 2.86 -1.96 -1.70 114.93 127.81 2br5 h MET 215 Ca -0.27 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 2br5 h MET 215 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2br5 h MET 215 CO 1.16 0.00 -0.31 1.25 1.06 0.00 0.00 176.91 180.07 2br5 h LEU 216 N 0.00 0.46 0.00 1.22 5.85 -1.98 -3.29 115.31 117.56 2br5 h LEU 216 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2br5 h LEU 216 Cb 0.42 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2br5 h LEU 216 CO 0.00 0.75 -0.60 -1.22 -0.34 0.00 0.00 178.44 177.03 2br5 n TYR 217 N -4.08 0.00 0.20 1.25 0.53 -1.01 -4.75 117.16 109.29 2br5 n TYR 217 Ca -0.01 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.96 2br5 n TYR 217 Cb 0.44 -0.03 0.22 0.00 -1.03 0.00 0.00 39.34 38.94 2br5 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br5 h ALA 218 N 1.37 0.88 -0.25 -0.72 0.00 -1.39 -3.10 119.26 116.06 2br5 h ALA 218 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2br5 h ALA 218 Cb 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2br5 h ALA 218 CO 0.00 0.29 -0.03 0.09 0.00 0.00 0.00 179.25 179.60 2br5 n ASN 219 N -3.20 3.23 0.00 0.00 3.02 -1.26 -0.83 115.26 116.22 2br5 n ASN 219 Ca 0.02 -3.26 0.11 0.00 -0.03 0.00 0.00 54.58 51.42 2br5 n ASN 219 Cb 0.57 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2br5 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br5 n ALA 220 N -0.83 4.38 -3.22 5.41 0.00 -1.17 -4.94 120.51 120.14 2br5 n ALA 220 Ca 0.24 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 2br5 n ALA 220 Cb 0.90 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 2br5 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br5 s SER 221 N -3.06 -0.36 0.27 0.00 1.04 -1.26 -4.79 113.70 105.53 2br5 s SER 221 Ca 0.08 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.56 2br5 s SER 221 Cb 0.16 0.47 0.60 0.00 0.10 0.00 0.00 66.02 67.35 2br5 s SER 221 CO 0.83 -0.73 1.74 0.28 0.98 0.00 0.00 173.24 176.34 2br5 h SER 222 N 2.77 0.47 1.11 7.02 0.02 -1.97 -0.96 113.55 122.01 2br5 h SER 222 Ca -0.32 0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 2br5 h SER 222 Cb 1.22 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2br5 h SER 222 CO 0.43 0.15 -0.73 1.56 -1.14 0.00 0.00 176.83 177.10 2br5 h GLN 223 N 0.55 0.00 0.00 3.45 4.20 -1.96 -3.18 115.11 118.17 2br5 h GLN 223 Ca 0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.21 2br5 h GLN 223 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2br5 h GLN 223 CO -0.42 0.73 -1.56 1.28 -0.67 0.00 0.00 178.83 178.20 2br5 n LEU 224 N -3.37 0.36 -1.56 1.46 4.77 -1.13 0.28 117.00 117.80 2br5 n LEU 224 Ca 0.01 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 2br5 n LEU 224 Cb 0.79 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 2br5 n LEU 224 CO 0.43 -0.02 0.55 -0.67 -1.33 0.00 0.00 177.39 176.35 2br5 n ASP 225 N -2.26 0.32 -3.01 -1.43 2.03 -0.38 0.11 116.55 111.92 2br5 n ASP 225 Ca -0.02 0.30 -0.22 0.00 0.52 0.00 0.00 54.79 55.38 2br5 n ASP 225 Cb 0.53 -0.32 0.02 0.00 -0.72 0.00 0.00 41.12 40.63 2br5 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br5 n ARG 226 N 2.26 -3.93 0.00 -0.67 1.74 -0.01 -4.62 116.66 111.42 2br5 n ARG 226 Ca 0.17 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 2br5 n ARG 226 Cb -0.02 -5.54 0.00 0.00 -1.02 0.00 0.00 32.46 25.89 2br5 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 227 N -1.31 0.51 3.53 -0.13 0.00 0.12 -4.89 105.19 103.03 2br5 n GLY 227 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2br5 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br5 s VAL 228 N -0.21 4.51 0.22 1.61 1.01 -1.24 -2.00 120.40 124.30 2br5 s VAL 228 Ca 0.00 0.40 0.10 0.00 0.00 0.00 0.00 61.98 62.48 2br5 s VAL 228 Cb 0.00 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2br5 s VAL 228 CO 0.00 -0.91 -0.11 -0.76 0.00 0.00 0.00 175.10 173.32 2br5 s LEU 229 N 3.64 2.90 0.11 3.92 1.43 -0.88 -1.37 118.68 128.43 2br5 s LEU 229 Ca 0.31 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 2br5 s LEU 229 Cb -0.12 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2br5 s LEU 229 CO 0.22 0.07 0.23 0.00 0.23 0.00 0.00 176.35 177.10 2br5 s ARG 230 N -3.12 0.93 -0.21 1.70 1.70 -0.57 -0.30 118.95 119.09 2br5 s ARG 230 Ca 0.27 -0.97 -0.28 0.00 -0.47 0.00 0.00 55.73 54.28 2br5 s ARG 230 Cb -0.08 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2br5 s ARG 230 CO 0.16 -0.32 1.00 0.50 -1.08 0.00 0.00 175.30 175.56 2br5 s ARG 231 N -3.87 4.27 -0.63 3.89 3.00 -0.15 -1.99 118.95 123.47 2br5 s ARG 231 Ca 0.07 1.29 -0.06 0.00 -1.00 0.00 0.00 55.73 56.02 2br5 s ARG 231 Cb 0.04 -3.62 0.16 0.00 0.00 0.00 0.00 34.95 31.53 2br5 s ARG 231 CO -0.09 -0.55 0.48 0.08 0.00 0.00 0.00 175.30 175.21 2br5 s VAL 232 N 2.92 4.19 -2.17 7.11 1.01 -1.15 -1.52 120.40 130.79 2br5 s VAL 232 Ca 0.43 -2.58 0.31 0.00 0.00 0.00 0.00 61.98 60.14 2br5 s VAL 232 Cb -0.16 -3.70 0.79 0.00 0.00 0.00 0.00 36.38 33.31 2br5 s VAL 232 CO 0.08 -0.88 2.06 0.00 0.00 0.00 0.00 175.10 176.37