#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1br1 s GLN 3 N 0.00 2.17 1.02 0.00 -1.52 -1.26 -5.12 119.66 114.95 1br1 s GLN 3 Ca 0.00 -1.87 -0.24 0.00 -1.95 0.00 0.00 55.36 51.30 1br1 s GLN 3 Cb 0.00 -1.93 -0.12 0.00 -0.22 0.00 0.00 33.01 30.74 1br1 s GLN 3 CO 0.00 -0.07 -1.05 1.17 -0.25 0.00 0.00 175.29 175.08 1br1 n LYS 4 N -1.16 -0.33 -3.82 2.91 4.81 -1.26 -4.92 118.16 114.40 1br1 n LYS 4 Ca -0.02 -0.09 -0.32 0.00 -0.87 0.00 0.00 58.31 57.01 1br1 n LYS 4 Cb 0.65 -1.17 -0.05 0.00 0.02 0.00 0.00 35.03 34.48 1br1 n LYS 4 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1br1 s PRO 5 N -2.35 3.52 -0.16 1.64 0.04 -1.26 -4.93 135.00 131.49 1br1 s PRO 5 Ca 0.41 -0.26 -0.04 0.00 0.04 0.00 0.00 61.00 61.16 1br1 s PRO 5 Cb 0.00 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 1br1 s PRO 5 CO 0.69 0.59 -0.03 -0.51 0.04 0.00 0.00 177.00 177.77 1br1 s LEU 6 N -2.34 3.24 0.50 -3.56 1.43 -1.26 -5.08 118.68 111.60 1br1 s LEU 6 Ca 0.34 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 53.06 1br1 s LEU 6 Cb -0.13 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 1br1 s LEU 6 CO 0.24 0.15 1.40 -0.55 0.23 0.00 0.00 176.35 177.82 1br1 s SER 7 N 0.49 5.55 0.48 2.29 0.15 -1.26 -4.77 113.70 116.62 1br1 s SER 7 Ca -0.03 2.87 0.38 0.00 0.70 0.00 0.00 55.95 59.87 1br1 s SER 7 Cb -0.14 -2.65 1.57 0.00 -1.71 0.00 0.00 66.02 63.09 1br1 s SER 7 CO 0.03 -1.39 1.57 -0.90 1.20 0.00 0.00 173.24 173.74 1br1 n ASP 8 N -0.61 0.15 -0.02 5.45 5.68 -1.26 -0.47 116.55 125.47 1br1 n ASP 8 Ca 0.08 1.28 -0.12 0.00 -0.50 0.00 0.00 54.79 55.52 1br1 n ASP 8 Cb 0.43 -0.63 -0.10 0.00 -1.14 0.00 0.00 41.12 39.68 1br1 n ASP 8 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1br1 h ASP 9 N 0.00 -0.04 0.00 -1.12 5.19 -1.97 -3.22 116.42 115.27 1br1 h ASP 9 Ca 0.90 -0.63 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1br1 h ASP 9 Cb 3.13 0.01 0.00 0.00 0.18 0.00 0.00 39.33 42.65 1br1 h ASP 9 CO -0.33 0.66 0.29 -0.33 -3.12 0.00 0.00 179.24 176.41 1br1 h GLU 10 N -0.80 0.00 0.00 3.56 5.08 -1.11 0.64 114.58 121.96 1br1 h GLU 10 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1br1 h GLU 10 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1br1 h GLU 10 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 1br1 n LYS 11 N -2.81 0.65 0.00 2.33 5.02 -0.92 0.69 118.16 123.12 1br1 n LYS 11 Ca -0.02 0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.38 1br1 n LYS 11 Cb 0.34 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1br1 n LYS 11 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1br1 n PHE 12 N -1.02 0.00 0.00 2.13 3.72 0.22 -4.41 117.46 118.10 1br1 n PHE 12 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1br1 n PHE 12 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1br1 n PHE 12 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1br1 n LEU 13 N -0.57 0.00 -4.45 4.37 4.77 -0.90 -4.23 117.00 115.98 1br1 n LEU 13 Ca 0.07 -0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.70 1br1 n LEU 13 Cb 0.41 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1br1 n LEU 13 CO 0.33 0.00 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.55 1br1 s PHE 14 N -0.07 2.61 0.15 -1.77 0.08 0.22 -4.57 117.98 114.63 1br1 s PHE 14 Ca 0.00 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.54 1br1 s PHE 14 Cb 0.00 -1.56 -0.07 0.00 -0.57 0.00 0.00 43.02 40.82 1br1 s PHE 14 CO 0.00 0.18 0.89 0.14 -0.10 0.00 0.00 175.22 176.32 1br1 s VAL 15 N -0.78 4.37 -0.54 -0.44 -7.23 -1.26 -4.44 120.40 110.08 1br1 s VAL 15 Ca 0.12 1.93 -0.24 0.00 -1.81 0.00 0.00 61.98 61.99 1br1 s VAL 15 Cb -0.10 -4.26 0.04 0.00 0.56 0.00 0.00 36.38 32.62 1br1 s VAL 15 CO 0.02 0.43 0.93 -1.81 -0.31 0.00 0.00 175.10 174.36 1br1 s ASP 16 N -0.63 6.35 -0.00 4.85 1.01 -1.26 -4.82 116.67 122.17 1br1 s ASP 16 Ca 0.41 -0.32 0.02 0.00 0.71 0.00 0.00 52.55 53.38 1br1 s ASP 16 Cb -0.24 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 1br1 s ASP 16 CO 0.29 -1.21 0.09 0.29 0.21 0.00 0.00 175.17 174.84 1br1 n LYS 17 N 7.41 4.28 -2.59 8.23 5.02 -1.26 -4.92 118.16 134.34 1br1 n LYS 17 Ca 0.02 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 1br1 n LYS 17 Cb 0.48 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.70 1br1 n LYS 17 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1br1 s ASN 18 N -1.56 6.44 0.20 4.39 -0.87 -1.26 -4.76 114.94 117.52 1br1 s ASN 18 Ca 0.00 -1.30 -0.01 0.00 -1.57 0.00 0.00 52.86 49.98 1br1 s ASN 18 Cb 0.02 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 1br1 s ASN 18 CO 0.10 -1.54 0.28 0.49 -2.57 0.00 0.00 177.10 173.86 1br1 n PHE 19 N 8.81 -1.01 -3.26 2.20 3.72 -1.26 -5.08 117.46 121.58 1br1 n PHE 19 Ca 0.27 -1.36 -0.33 0.00 -0.05 0.00 0.00 57.45 55.98 1br1 n PHE 19 Cb 0.50 0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 39.30 1br1 n PHE 19 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1br1 s VAL 20 N -2.65 4.78 -1.37 -4.37 0.11 -1.26 -4.92 120.40 110.71 1br1 s VAL 20 Ca 0.17 0.83 -0.09 0.00 -2.93 0.00 0.00 61.98 59.96 1br1 s VAL 20 Cb -0.01 -3.68 -0.11 0.00 -1.53 0.00 0.00 36.38 31.06 1br1 s VAL 20 CO 0.12 -0.00 2.99 -0.46 -3.33 0.00 0.00 175.10 174.42 1br1 n ASN 21 N 0.12 8.06 -4.65 3.54 6.94 -1.26 -4.94 115.26 123.06 1br1 n ASN 21 Ca -0.00 -2.54 -0.47 0.00 -0.02 0.00 0.00 54.58 51.54 1br1 n ASN 21 Cb 0.52 -1.51 -0.05 0.00 -2.36 0.00 0.00 39.78 36.39 1br1 n ASN 21 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1br1 n ASN 22 N 3.48 2.81 -0.92 0.53 0.23 -1.26 -4.88 115.26 115.25 1br1 n ASN 22 Ca 0.72 1.08 0.08 0.00 -0.53 0.00 0.00 54.58 55.93 1br1 n ASN 22 Cb 0.31 -1.37 0.22 0.00 -2.08 0.00 0.00 39.78 36.86 1br1 n ASN 22 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1br1 n PRO 23 N 3.45 2.19 0.06 -0.53 -0.05 -1.26 -4.14 135.00 134.72 1br1 n PRO 23 Ca 0.18 -1.76 -0.13 0.00 -0.05 0.00 0.00 63.50 61.74 1br1 n PRO 23 Cb 0.27 -1.41 -0.08 0.00 -0.05 0.00 0.00 33.50 32.23 1br1 n PRO 23 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 1br1 h LEU 24 N 2.82 -0.09 -0.13 1.53 3.38 -1.98 0.69 115.31 121.54 1br1 h LEU 24 Ca 0.00 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 1br1 h LEU 24 Cb 0.69 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1br1 h LEU 24 CO 0.02 0.10 -0.70 0.00 0.09 0.00 0.00 178.44 177.95 1br1 h ALA 25 N 0.62 0.26 0.00 1.53 0.00 -1.99 0.40 119.26 120.08 1br1 h ALA 25 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1br1 h ALA 25 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1br1 h ALA 25 CO 0.02 0.58 0.00 0.94 0.00 0.00 0.00 179.25 180.78 1br1 n GLN 26 N -4.04 0.00 -0.09 0.00 0.00 -1.14 -2.42 117.38 109.70 1br1 n GLN 26 Ca -0.08 0.33 -0.12 0.00 -0.00 0.00 0.00 57.00 57.14 1br1 n GLN 26 Cb 0.70 -1.51 -0.08 0.00 0.00 0.00 0.00 30.24 29.36 1br1 n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1br1 n ALA 27 N -1.50 1.63 0.34 1.69 0.00 0.24 -4.42 120.51 118.48 1br1 n ALA 27 Ca 0.02 -0.75 0.21 0.00 0.00 0.00 0.00 53.44 52.93 1br1 n ALA 27 Cb 0.12 0.09 1.14 0.00 0.00 0.00 0.00 19.45 20.80 1br1 n ALA 27 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1br1 h ASP 28 N 0.00 0.00 -0.43 0.00 1.82 -0.56 -2.62 116.42 114.64 1br1 h ASP 28 Ca -0.39 0.00 0.12 0.00 -0.39 0.00 0.00 57.03 56.38 1br1 h ASP 28 Cb 1.61 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.60 1br1 h ASP 28 CO -0.06 0.00 0.61 4.11 -1.61 0.00 0.00 179.24 182.29 1br1 h TRP 29 N 0.00 0.00 -0.10 0.28 5.08 -1.69 0.22 115.95 119.75 1br1 h TRP 29 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.00 1br1 h TRP 29 Cb 0.14 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.30 1br1 h TRP 29 CO 0.00 0.00 0.07 0.77 -1.28 0.00 0.00 178.44 178.00 1br1 h SER 30 N 0.00 0.00 0.00 0.11 0.02 -1.80 -0.16 113.55 111.72 1br1 h SER 30 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1br1 h SER 30 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1br1 h SER 30 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1br1 n ALA 31 N -2.55 2.35 -0.27 3.77 0.00 0.78 -4.44 120.51 120.16 1br1 n ALA 31 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1br1 n ALA 31 Cb 0.19 -1.13 0.37 0.00 0.00 0.00 0.00 19.45 18.88 1br1 n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1br1 n LYS 32 N 1.02 -0.02 0.00 0.00 5.02 -0.08 0.14 118.16 124.25 1br1 n LYS 32 Ca 0.00 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1br1 n LYS 32 Cb 0.29 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1br1 n LYS 32 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1br1 n LYS 33 N -3.62 0.00 -2.21 1.97 4.76 -1.26 -4.68 118.16 113.12 1br1 n LYS 33 Ca 0.22 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.23 1br1 n LYS 33 Cb 0.86 -1.14 -0.03 0.00 -1.84 0.00 0.00 35.03 32.88 1br1 n LYS 33 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1br1 s LEU 34 N -1.28 4.31 0.00 -0.35 1.43 0.38 0.13 118.68 123.30 1br1 s LEU 34 Ca 0.00 2.12 0.04 0.00 -1.03 0.00 0.00 54.13 55.25 1br1 s LEU 34 Cb 0.00 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 1br1 s LEU 34 CO 0.00 -0.74 0.14 1.33 0.23 0.00 0.00 176.35 177.31 1br1 n VAL 35 N 4.73 0.00 -4.45 -1.59 0.24 0.21 -4.21 118.33 113.26 1br1 n VAL 35 Ca 0.13 -1.18 -0.31 0.00 -2.04 0.00 0.00 64.34 60.95 1br1 n VAL 35 Cb 0.43 0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 33.29 1br1 n VAL 35 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1br1 s TRP 36 N -2.69 2.67 0.11 6.34 0.52 0.27 -2.48 118.94 123.67 1br1 s TRP 36 Ca 0.19 -0.19 -0.21 0.00 0.02 0.00 0.00 56.10 55.91 1br1 s TRP 36 Cb 0.01 -1.47 0.06 0.00 -1.15 0.00 0.00 33.47 30.92 1br1 s TRP 36 CO 0.14 0.34 0.53 0.14 0.02 0.00 0.00 176.95 178.12 1br1 s VAL 37 N -1.05 0.03 0.58 4.03 -7.23 -0.89 -0.07 120.40 115.80 1br1 s VAL 37 Ca 0.17 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.02 1br1 s VAL 37 Cb -0.11 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.71 1br1 s VAL 37 CO 0.09 -0.12 -0.48 -2.65 -0.31 0.00 0.00 175.10 171.62 1br1 n PRO 38 N -0.05 0.00 -3.15 4.82 -0.01 -1.26 -0.43 135.00 134.91 1br1 n PRO 38 Ca -0.17 0.00 0.06 0.00 -0.01 0.00 0.00 63.50 63.37 1br1 n PRO 38 Cb 0.63 -0.58 -0.02 0.00 -0.01 0.00 0.00 33.50 33.52 1br1 n PRO 38 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1br1 s SER 39 N -0.58 -0.24 0.00 2.55 0.15 -1.21 -4.21 113.70 110.16 1br1 s SER 39 Ca 0.23 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1br1 s SER 39 Cb -0.10 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1br1 s SER 39 CO 0.48 -0.04 0.46 -0.62 1.20 0.00 0.00 173.24 174.71 1br1 n GLU 40 N 5.47 0.48 0.00 5.44 1.02 -1.26 -0.75 120.64 131.05 1br1 n GLU 40 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1br1 n GLU 40 Cb 0.54 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1br1 n GLU 40 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1br1 n LYS 41 N -0.44 0.86 0.00 3.49 4.76 -1.26 -4.87 118.16 120.71 1br1 n LYS 41 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1br1 n LYS 41 Cb 0.01 -0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 1br1 n LYS 41 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1br1 n HIS 42 N 0.00 0.00 0.00 2.13 8.25 -1.10 -4.87 115.22 119.62 1br1 n HIS 42 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1br1 n HIS 42 Cb 0.00 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1br1 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1br1 n GLY 43 N -0.04 0.87 3.46 -1.41 0.00 0.08 -4.62 105.19 103.53 1br1 n GLY 43 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1br1 n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1br1 s PHE 44 N 0.00 -0.24 0.09 1.61 0.08 -1.26 -3.34 117.98 114.93 1br1 s PHE 44 Ca 0.00 -0.07 -0.22 0.00 0.12 0.00 0.00 56.93 56.76 1br1 s PHE 44 Cb 0.00 0.41 0.05 0.00 -0.57 0.00 0.00 43.02 42.91 1br1 s PHE 44 CO 0.00 -0.86 0.53 -1.83 -0.10 0.00 0.00 175.22 172.96 1br1 s GLU 45 N -3.83 1.12 0.32 0.44 -1.05 0.43 -4.80 118.70 111.32 1br1 s GLU 45 Ca 0.06 -0.38 -0.28 0.00 -0.15 0.00 0.00 54.97 54.22 1br1 s GLU 45 Cb -0.00 0.51 -0.10 0.00 -0.44 0.00 0.00 34.13 34.10 1br1 s GLU 45 CO -0.07 -0.44 1.17 0.00 0.95 0.00 0.00 175.26 176.87 1br1 s ALA 46 N -3.05 3.39 0.01 -0.84 0.00 -1.26 -2.10 121.76 117.91 1br1 s ALA 46 Ca -0.02 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 1br1 s ALA 46 Cb -0.00 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.84 1br1 s ALA 46 CO -0.07 -0.35 0.97 0.00 0.00 0.00 0.00 175.76 176.31 1br1 s ALA 47 N -1.21 -1.84 -0.04 0.00 0.00 -1.04 -1.92 121.76 115.71 1br1 s ALA 47 Ca 0.48 0.85 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1br1 s ALA 47 Cb -0.34 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1br1 s ALA 47 CO 0.44 -0.79 -0.12 0.45 0.00 0.00 0.00 175.76 175.73 1br1 s SER 48 N -2.59 1.66 0.25 0.00 0.15 -0.13 0.64 113.70 113.68 1br1 s SER 48 Ca 0.08 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.16 1br1 s SER 48 Cb -0.01 -0.54 -0.15 0.00 -1.71 0.00 0.00 66.02 63.61 1br1 s SER 48 CO -0.05 0.08 1.08 -0.38 1.20 0.00 0.00 173.24 175.17 1br1 n ILE 49 N 3.39 1.56 -0.03 6.45 5.41 0.34 -1.24 119.36 135.23 1br1 n ILE 49 Ca -0.20 -0.39 -0.04 0.00 1.00 0.00 0.00 62.75 63.12 1br1 n ILE 49 Cb 0.53 -0.97 -0.04 0.00 -0.71 0.00 0.00 39.64 38.46 1br1 n ILE 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1br1 n LYS 50 N 1.16 0.99 -3.42 0.38 4.76 0.53 -4.80 118.16 117.76 1br1 n LYS 50 Ca 0.12 0.03 0.01 0.00 -2.87 0.00 0.00 58.31 55.60 1br1 n LYS 50 Cb 0.29 -1.14 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 1br1 n LYS 50 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1br1 s GLU 51 N -2.14 0.42 -0.42 1.97 2.12 -0.54 -4.95 118.70 115.17 1br1 s GLU 51 Ca -0.08 0.99 -0.28 0.00 0.36 0.00 0.00 54.97 55.96 1br1 s GLU 51 Cb 0.02 0.59 0.02 0.00 0.26 0.00 0.00 34.13 35.02 1br1 s GLU 51 CO 0.18 -0.23 1.09 -1.21 -0.54 0.00 0.00 175.26 174.55 1br1 s GLU 52 N 2.72 3.82 -0.70 4.30 2.02 -1.26 0.36 118.70 129.96 1br1 s GLU 52 Ca 0.00 0.69 0.05 0.00 0.02 0.00 0.00 54.97 55.73 1br1 s GLU 52 Cb -0.10 -3.85 0.17 0.00 0.10 0.00 0.00 34.13 30.45 1br1 s GLU 52 CO -0.18 -1.20 0.51 1.63 0.02 0.00 0.00 175.26 176.04 1br1 n LYS 53 N 7.43 1.85 0.00 1.61 4.76 0.14 -4.97 118.16 128.97 1br1 n LYS 53 Ca 0.11 -4.48 0.00 0.00 -2.87 0.00 0.00 58.31 51.07 1br1 n LYS 53 Cb 0.48 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 1br1 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1br1 n GLY 54 N 1.90 2.50 0.09 0.72 0.00 -1.26 -1.49 105.19 107.65 1br1 n GLY 54 Ca 0.21 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.90 1br1 n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1br1 n ASP 55 N 0.09 0.15 -4.39 1.61 2.03 -1.26 -4.53 116.55 110.26 1br1 n ASP 55 Ca 0.00 0.39 -0.20 0.00 0.52 0.00 0.00 54.79 55.50 1br1 n ASP 55 Cb 0.00 -0.34 -0.10 0.00 -0.72 0.00 0.00 41.12 39.96 1br1 n ASP 55 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1br1 s GLU 56 N -2.91 1.44 -0.14 -0.67 8.01 -0.55 0.25 118.70 124.13 1br1 s GLU 56 Ca -0.01 -1.71 -0.15 0.00 0.01 0.00 0.00 54.97 53.12 1br1 s GLU 56 Cb 0.02 -1.04 0.04 0.00 -4.31 0.00 0.00 34.13 28.83 1br1 s GLU 56 CO 0.05 0.05 0.41 0.08 0.01 0.00 0.00 175.26 175.87 1br1 s VAL 57 N -3.08 0.01 -0.02 2.63 1.01 0.16 0.24 120.40 121.35 1br1 s VAL 57 Ca 0.27 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 1br1 s VAL 57 Cb 0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1br1 s VAL 57 CO 0.10 -0.03 0.55 0.42 0.00 0.00 0.00 175.10 176.14 1br1 s THR 58 N 0.00 4.96 0.01 3.92 -4.23 0.16 -1.44 115.64 119.02 1br1 s THR 58 Ca -0.02 1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.57 1br1 s THR 58 Cb -0.03 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1br1 s THR 58 CO 0.01 0.43 0.15 -0.69 -0.54 0.00 0.00 174.62 173.98 1br1 s VAL 59 N -0.20 0.09 -0.14 2.29 1.01 -0.46 0.20 120.40 123.20 1br1 s VAL 59 Ca 0.29 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1br1 s VAL 59 Cb -0.18 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1br1 s VAL 59 CO 0.16 -0.43 -0.17 -0.70 0.00 0.00 0.00 175.10 173.96 1br1 s GLU 60 N -1.76 3.20 -0.07 2.72 2.12 -0.37 -0.76 118.70 123.77 1br1 s GLU 60 Ca -0.12 -0.77 -0.33 0.00 0.36 0.00 0.00 54.97 54.11 1br1 s GLU 60 Cb -0.05 -2.54 -0.11 0.00 0.26 0.00 0.00 34.13 31.69 1br1 s GLU 60 CO -0.00 0.09 1.92 1.28 -0.54 0.00 0.00 175.26 178.01 1br1 n LEU 61 N 3.84 3.61 -0.54 2.70 4.77 0.34 -0.95 117.00 130.77 1br1 n LEU 61 Ca -0.19 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1br1 n LEU 61 Cb 0.52 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1br1 n LEU 61 CO 0.29 -0.01 0.18 0.00 -1.33 0.00 0.00 177.39 176.52 1br1 n GLN 62 N 6.97 0.67 0.00 3.23 10.64 -0.81 -1.71 117.38 136.36 1br1 n GLN 62 Ca 0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1br1 n GLN 62 Cb 0.33 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 1br1 n GLN 62 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1br1 n GLU 63 N 0.21 0.00 0.00 2.61 4.07 -1.25 -4.83 120.64 121.44 1br1 n GLU 63 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 1br1 n GLU 63 Cb 0.18 0.00 0.45 0.00 -0.06 0.00 0.00 31.44 32.01 1br1 n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1br1 n ASN 64 N -1.14 0.00 0.00 4.31 4.05 -1.24 -4.82 115.26 116.42 1br1 n ASN 64 Ca 0.00 -1.26 0.00 0.00 0.45 0.00 0.00 54.58 53.77 1br1 n ASN 64 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1br1 n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1br1 n GLY 65 N 0.57 0.30 3.74 8.20 0.00 -0.69 -4.92 105.19 112.39 1br1 n GLY 65 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1br1 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1br1 s LYS 66 N -0.59 2.14 -0.27 1.61 2.36 -1.26 -4.72 119.74 119.01 1br1 s LYS 66 Ca 0.00 1.46 0.02 0.00 -2.55 0.00 0.00 55.97 54.89 1br1 s LYS 66 Cb 0.00 -1.86 0.07 0.00 -1.05 0.00 0.00 37.83 34.99 1br1 s LYS 66 CO 0.00 -1.77 -0.03 0.21 1.55 0.00 0.00 175.35 175.31 1br1 s LYS 67 N -4.37 1.65 0.04 4.03 2.20 -1.26 -0.50 119.74 121.53 1br1 s LYS 67 Ca 0.67 -1.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.02 1br1 s LYS 67 Cb -0.22 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 1br1 s LYS 67 CO 0.49 -0.71 -0.14 0.08 -0.36 0.00 0.00 175.35 174.71 1br1 s VAL 68 N 1.22 1.07 -0.14 4.02 1.01 0.06 -4.98 120.40 122.66 1br1 s VAL 68 Ca -0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1br1 s VAL 68 Cb -0.19 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1br1 s VAL 68 CO -0.08 -0.03 -0.09 -0.89 0.00 0.00 0.00 175.10 174.01 1br1 s THR 69 N -0.89 3.45 0.31 3.92 2.01 -1.26 -1.35 115.64 121.83 1br1 s THR 69 Ca 0.01 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.55 1br1 s THR 69 Cb -0.08 -2.48 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 1br1 s THR 69 CO 0.01 0.51 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.66 1br1 s LEU 70 N 0.33 2.48 0.50 4.42 1.43 -0.52 -4.95 118.68 122.38 1br1 s LEU 70 Ca -0.07 -1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 51.56 1br1 s LEU 70 Cb -0.15 -0.64 -0.07 0.00 0.03 0.00 0.00 46.19 45.36 1br1 s LEU 70 CO 0.04 -0.40 1.12 -0.24 0.23 0.00 0.00 176.35 177.11 1br1 n SER 71 N -0.66 1.67 -0.98 2.29 2.88 -1.26 -0.66 113.62 116.90 1br1 n SER 71 Ca -0.05 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1br1 n SER 71 Cb 0.64 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1br1 n SER 71 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1br1 n LYS 72 N -0.47 0.49 0.00 -1.46 4.81 0.69 -1.56 118.16 120.67 1br1 n LYS 72 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1br1 n LYS 72 Cb 0.43 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1br1 n LYS 72 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1br1 n ASP 73 N 0.73 0.00 -0.56 3.14 5.75 -1.26 -4.82 116.55 119.53 1br1 n ASP 73 Ca 0.00 -1.00 0.06 0.00 -0.01 0.00 0.00 54.79 53.84 1br1 n ASP 73 Cb 0.24 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.42 1br1 n ASP 73 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1br1 n ASP 74 N 0.00 2.37 -4.84 -1.12 9.92 -0.60 -4.96 116.55 117.32 1br1 n ASP 74 Ca 0.00 -1.68 -0.31 0.00 -0.53 0.00 0.00 54.79 52.27 1br1 n ASP 74 Cb 0.47 -0.09 -0.05 0.00 -0.64 0.00 0.00 41.12 40.81 1br1 n ASP 74 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1br1 s ILE 75 N -1.01 4.94 -0.05 0.53 -4.36 -1.26 -4.25 121.20 115.74 1br1 s ILE 75 Ca 0.18 -0.54 0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1br1 s ILE 75 Cb 0.11 -3.38 0.02 0.00 1.25 0.00 0.00 42.46 40.47 1br1 s ILE 75 CO 0.16 0.17 -0.07 -1.10 0.24 0.00 0.00 174.94 174.34 1br1 s GLN 76 N -2.33 1.06 0.23 0.37 -0.21 0.91 -4.89 119.66 114.79 1br1 s GLN 76 Ca 0.31 -0.19 -0.31 0.00 0.02 0.00 0.00 55.36 55.19 1br1 s GLN 76 Cb -0.13 -0.98 -0.15 0.00 1.00 0.00 0.00 33.01 32.76 1br1 s GLN 76 CO 0.23 -0.04 1.14 1.63 -2.12 0.00 0.00 175.29 176.13 1br1 n LYS 77 N 3.94 1.36 -3.70 2.91 4.01 -1.26 0.95 118.16 126.36 1br1 n LYS 77 Ca -0.25 0.48 -0.33 0.00 -0.51 0.00 0.00 58.31 57.70 1br1 n LYS 77 Cb 0.51 -1.95 -0.05 0.00 -0.51 0.00 0.00 35.03 33.03 1br1 n LYS 77 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1br1 s MET 78 N -0.83 3.62 0.16 1.97 1.75 -1.26 -4.74 119.30 119.97 1br1 s MET 78 Ca 0.67 -0.06 -0.08 0.00 -1.25 0.00 0.00 55.69 54.96 1br1 s MET 78 Cb -0.77 -2.97 -0.06 0.00 2.84 0.00 0.00 34.83 33.88 1br1 s MET 78 CO 0.55 0.55 0.46 -0.80 -0.65 0.00 0.00 175.02 175.13 1br1 s ASN 79 N -2.08 6.59 0.87 1.11 0.02 -1.26 -4.98 114.94 115.21 1br1 s ASN 79 Ca 0.35 0.78 -0.12 0.00 -1.02 0.00 0.00 52.86 52.84 1br1 s ASN 79 Cb -0.13 -2.17 0.09 0.00 0.02 0.00 0.00 41.25 39.07 1br1 s ASN 79 CO 0.21 0.03 1.02 -2.65 0.02 0.00 0.00 177.10 175.72 1br1 n PRO 80 N 0.18 -0.13 0.24 -0.60 -0.02 -1.26 -4.85 135.00 128.57 1br1 n PRO 80 Ca -0.02 0.03 0.16 0.00 -2.02 0.00 0.00 63.50 61.65 1br1 n PRO 80 Cb 0.52 -2.29 0.84 0.00 -0.02 0.00 0.00 33.50 32.55 1br1 n PRO 80 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1br1 h PRO 81 N -1.35 0.00 0.00 0.52 0.14 -1.97 -1.93 132.00 127.42 1br1 h PRO 81 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1br1 h PRO 81 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.43 1br1 h PRO 81 CO 0.42 0.00 0.00 1.17 0.14 0.00 0.00 178.00 179.73 1br1 n LYS 82 N -2.64 0.68 0.00 0.86 0.00 -1.26 -2.65 118.16 113.15 1br1 n LYS 82 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.33 1br1 n LYS 82 Cb 0.09 -1.42 0.03 0.00 0.00 0.00 0.00 35.03 33.73 1br1 n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1br1 n PHE 83 N -0.92 0.00 -1.64 5.64 3.72 -0.72 -5.03 117.46 118.51 1br1 n PHE 83 Ca 0.14 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 57.05 1br1 n PHE 83 Cb 0.06 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 1br1 n PHE 83 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1br1 n SER 84 N 0.41 2.52 -3.59 4.37 7.64 -1.09 -2.20 113.62 121.68 1br1 n SER 84 Ca 0.04 1.09 -0.22 0.00 1.01 0.00 0.00 58.87 60.80 1br1 n SER 84 Cb 0.18 -1.32 0.07 0.00 -1.01 0.00 0.00 64.21 62.13 1br1 n SER 84 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1br1 n LYS 85 N 3.34 -6.64 -0.85 1.43 5.02 -1.26 -4.95 118.16 114.25 1br1 n LYS 85 Ca 0.18 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.93 1br1 n LYS 85 Cb 0.24 -5.71 0.15 0.00 -0.02 0.00 0.00 35.03 29.69 1br1 n LYS 85 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1br1 s VAL 86 N -3.39 2.15 -0.13 -0.18 0.11 -0.93 -4.98 120.40 113.04 1br1 s VAL 86 Ca 0.28 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1br1 s VAL 86 Cb -0.13 -2.20 -0.25 0.00 -1.53 0.00 0.00 36.38 32.27 1br1 s VAL 86 CO 0.76 -0.06 0.32 -0.62 -3.33 0.00 0.00 175.10 172.17 1br1 n GLU 87 N -3.94 0.74 -3.76 1.54 -0.58 -1.26 -4.80 120.64 108.59 1br1 n GLU 87 Ca 0.12 0.25 -0.30 0.00 -0.42 0.00 0.00 57.16 56.81 1br1 n GLU 87 Cb 0.52 -1.69 -0.14 0.00 -0.57 0.00 0.00 31.44 29.56 1br1 n GLU 87 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1br1 s ASP 88 N -6.94 3.87 0.29 1.62 -1.08 -1.26 -1.29 116.67 111.88 1br1 s ASP 88 Ca -0.23 -2.47 0.20 0.00 -0.52 0.00 0.00 52.55 49.53 1br1 s ASP 88 Cb 0.07 -1.12 1.01 0.00 -1.46 0.00 0.00 42.92 41.42 1br1 s ASP 88 CO 0.76 -0.30 1.10 0.23 0.52 0.00 0.00 175.17 177.49 1br1 n MET 89 N 3.76 -0.03 0.00 4.34 2.81 -0.91 0.25 117.12 127.34 1br1 n MET 89 Ca 0.06 0.92 0.00 0.00 -1.81 0.00 0.00 57.70 56.87 1br1 n MET 89 Cb 0.36 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1br1 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1br1 n ALA 90 N -2.52 1.42 -0.11 3.04 0.00 -1.26 -2.13 120.51 118.94 1br1 n ALA 90 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.48 1br1 n ALA 90 Cb 1.03 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1br1 n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1br1 n GLU 91 N -0.65 0.50 -1.54 0.00 1.02 0.68 -4.92 120.64 115.74 1br1 n GLU 91 Ca 0.00 0.22 -0.56 0.00 -0.02 0.00 0.00 57.16 56.80 1br1 n GLU 91 Cb 0.00 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 1br1 n GLU 91 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1br1 n LEU 92 N -4.12 0.71 0.00 -4.62 4.77 -0.91 -4.75 117.00 108.09 1br1 n LEU 92 Ca -0.43 1.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.74 1br1 n LEU 92 Cb 0.78 -1.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.07 1br1 n LEU 92 CO 0.05 -1.52 0.44 0.35 -1.33 0.00 0.00 177.39 175.38 1br1 n THR 93 N 2.01 0.00 -3.63 -5.08 -2.24 -1.26 -4.38 114.28 99.70 1br1 n THR 93 Ca 0.20 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.76 1br1 n THR 93 Cb 0.12 -0.58 -0.17 0.00 -2.10 0.00 0.00 70.33 67.60 1br1 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1br1 s LEU 95 N 2.18 4.15 0.06 0.00 1.43 -1.26 -4.80 118.68 120.43 1br1 s LEU 95 Ca 0.04 0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 1br1 s LEU 95 Cb -0.14 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 43.78 1br1 s LEU 95 CO -0.06 -0.00 0.39 0.20 0.23 0.00 0.00 176.35 177.10 1br1 s ASN 96 N 0.99 -0.24 0.45 2.29 -0.87 -1.26 -4.97 114.94 111.32 1br1 s ASN 96 Ca 0.14 -0.09 0.31 0.00 -1.57 0.00 0.00 52.86 51.65 1br1 s ASN 96 Cb -0.14 0.42 1.35 0.00 -0.02 0.00 0.00 41.25 42.86 1br1 s ASN 96 CO 0.06 -0.69 1.91 -0.08 -2.57 0.00 0.00 177.10 175.74 1br1 h GLU 97 N 2.94 0.00 0.00 -0.60 4.81 -1.98 -1.70 114.58 118.05 1br1 h GLU 97 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1br1 h GLU 97 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1br1 h GLU 97 CO 0.45 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.64 1br1 h ALA 98 N 2.09 0.00 0.56 2.92 0.00 -1.96 -3.15 119.26 119.72 1br1 h ALA 98 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1br1 h ALA 98 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1br1 h ALA 98 CO 0.00 0.09 -0.45 0.77 0.00 0.00 0.00 179.25 179.66 1br1 h SER 99 N -0.79 -1.21 -1.24 0.00 0.02 -1.87 0.49 113.55 108.96 1br1 h SER 99 Ca 0.00 0.09 0.42 0.00 -0.84 0.00 0.00 61.79 61.46 1br1 h SER 99 Cb 0.09 0.38 -0.14 0.00 0.14 0.00 0.00 62.40 62.87 1br1 h SER 99 CO 0.00 -0.63 0.77 0.58 -1.14 0.00 0.00 176.83 176.41 1br1 h VAL 100 N -0.98 0.11 0.34 2.27 2.07 -1.52 1.03 116.25 119.57 1br1 h VAL 100 Ca -0.07 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1br1 h VAL 100 Cb 0.82 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1br1 h VAL 100 CO 0.00 0.02 -0.17 0.25 0.02 0.00 0.00 177.57 177.69 1br1 h LEU 101 N 0.09 -0.39 -0.03 2.57 5.85 -1.25 -3.04 115.31 119.11 1br1 h LEU 101 Ca 0.82 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.43 1br1 h LEU 101 Cb 2.45 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 43.57 1br1 h LEU 101 CO -0.50 0.06 -0.02 -0.74 -0.34 0.00 0.00 178.44 176.91 1br1 h HIS 102 N -1.02 -0.06 -0.90 1.25 2.76 0.58 0.19 115.15 117.96 1br1 h HIS 102 Ca -0.05 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.25 1br1 h HIS 102 Cb 0.48 0.03 -0.14 0.00 1.55 0.00 0.00 27.41 29.34 1br1 h HIS 102 CO 0.03 -0.01 -0.39 -1.71 -1.30 0.00 0.00 177.93 174.55 1br1 n ASN 103 N -3.01 -0.67 -0.29 3.26 5.15 0.68 0.18 115.26 120.57 1br1 n ASN 103 Ca 0.00 1.57 0.03 0.00 -0.60 0.00 0.00 54.58 55.58 1br1 n ASN 103 Cb 0.01 -0.32 0.17 0.00 -0.53 0.00 0.00 39.78 39.11 1br1 n ASN 103 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1br1 h LEU 104 N 0.00 0.62 0.24 1.20 3.38 -1.00 -1.87 115.31 117.88 1br1 h LEU 104 Ca 0.27 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1br1 h LEU 104 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1br1 h LEU 104 CO -0.88 0.34 -0.19 -0.09 0.09 0.00 0.00 178.44 177.72 1br1 h ARG 105 N 0.74 -0.42 0.00 1.13 2.43 0.49 -1.20 114.38 117.55 1br1 h ARG 105 Ca 0.40 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1br1 h ARG 105 Cb 0.40 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1br1 h ARG 105 CO -0.27 -0.28 0.00 0.39 -1.51 0.00 0.00 179.97 178.30 1br1 n GLU 106 N -5.31 0.00 -0.32 0.20 4.71 -0.32 -1.46 120.64 118.14 1br1 n GLU 106 Ca -0.09 0.36 0.30 0.00 -0.01 0.00 0.00 57.16 57.73 1br1 n GLU 106 Cb 0.23 -1.24 0.55 0.00 -1.01 0.00 0.00 31.44 29.97 1br1 n GLU 106 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1br1 n ARG 107 N -1.39 -0.05 0.04 3.49 1.74 -0.76 0.12 116.66 119.85 1br1 n ARG 107 Ca 0.00 1.23 -0.12 0.00 -0.77 0.00 0.00 57.85 58.19 1br1 n ARG 107 Cb 0.00 -2.25 -0.07 0.00 -1.02 0.00 0.00 32.46 29.13 1br1 n ARG 107 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1br1 h TYR 108 N 0.00 -0.02 0.00 -1.55 3.20 -0.78 0.98 116.97 118.80 1br1 h TYR 108 Ca 0.78 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.56 1br1 h TYR 108 Cb 2.14 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.40 1br1 h TYR 108 CO -0.01 -0.01 -0.41 0.74 -1.64 0.00 0.00 178.16 176.83 1br1 h PHE 109 N -0.02 0.00 0.00 -3.82 0.04 0.20 -2.69 116.94 110.66 1br1 h PHE 109 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1br1 h PHE 109 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1br1 h PHE 109 CO -0.08 0.41 0.00 0.77 -0.60 0.00 0.00 178.31 178.81 1br1 h SER 110 N 0.00 0.00 0.00 2.17 0.02 -0.52 -3.46 113.55 111.76 1br1 h SER 110 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1br1 h SER 110 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1br1 h SER 110 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1br1 n GLY 111 N 0.17 1.05 3.65 -3.77 0.00 -0.76 -4.88 105.19 100.64 1br1 n GLY 111 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1br1 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1br1 s LEU 112 N 0.00 3.92 -0.19 0.99 1.43 0.27 -4.82 118.68 120.27 1br1 s LEU 112 Ca 0.00 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1br1 s LEU 112 Cb 0.00 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.08 1br1 s LEU 112 CO 0.00 0.15 -0.15 2.30 0.23 0.00 0.00 176.35 178.88 1br1 n ILE 113 N 3.70 1.13 -2.39 -0.59 -5.35 -1.26 -2.93 119.36 111.67 1br1 n ILE 113 Ca -0.16 -0.46 -0.41 0.00 -0.27 0.00 0.00 62.75 61.44 1br1 n ILE 113 Cb 0.52 -1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 37.25 1br1 n ILE 113 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1br1 s TYR 114 N -2.40 3.44 -0.06 4.28 1.51 -1.26 -3.34 117.35 119.52 1br1 s TYR 114 Ca -0.25 1.40 -0.07 0.00 -1.01 0.00 0.00 57.07 57.14 1br1 s TYR 114 Cb 0.07 -3.42 0.02 0.00 -0.11 0.00 0.00 41.96 38.51 1br1 s TYR 114 CO 0.48 -1.20 0.19 0.99 -1.11 0.00 0.00 175.55 174.90 1br1 s THR 115 N 0.22 0.01 0.17 -0.71 2.01 -0.84 -4.74 115.64 111.77 1br1 s THR 115 Ca 0.54 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.32 1br1 s THR 115 Cb -0.32 -0.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.82 1br1 s THR 115 CO 0.34 -0.06 0.54 -0.31 -0.69 0.00 0.00 174.62 174.44 1br1 s TYR 116 N -0.13 3.54 -0.43 4.92 2.02 -0.41 -0.36 117.35 126.50 1br1 s TYR 116 Ca -0.02 0.97 0.03 0.00 -0.37 0.00 0.00 57.07 57.67 1br1 s TYR 116 Cb -0.02 -2.31 0.16 0.00 -0.40 0.00 0.00 41.96 39.39 1br1 s TYR 116 CO 0.01 0.38 0.32 -1.54 -1.57 0.00 0.00 175.55 173.14 1br1 s SER 117 N -1.96 2.16 1.54 2.29 1.04 -0.50 -2.14 113.70 116.14 1br1 s SER 117 Ca 0.41 -2.93 0.00 0.00 0.48 0.00 0.00 55.95 53.91 1br1 s SER 117 Cb -0.13 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.42 1br1 s SER 117 CO 0.20 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1br1 n GLY 118 N 3.05 2.58 0.07 7.32 0.00 -1.26 -3.25 105.19 113.70 1br1 n GLY 118 Ca 0.24 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1br1 n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1br1 h LEU 119 N 0.00 0.00-10.51 0.99 3.38 -1.97 -3.47 115.31 103.73 1br1 h LEU 119 Ca 0.00 -0.24 -0.44 0.00 0.09 0.00 0.00 57.88 57.29 1br1 h LEU 119 Cb 0.00 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.91 1br1 h LEU 119 CO 0.00 0.84 0.26 0.72 0.09 0.00 0.00 178.44 180.34 1br1 s PHE 120 N -2.03 1.67 -0.03 1.13 -0.71 -1.20 -4.92 117.98 111.89 1br1 s PHE 120 Ca -0.13 0.66 -0.02 0.00 -1.04 0.00 0.00 56.93 56.40 1br1 s PHE 120 Cb 0.01 -3.53 0.01 0.00 -1.21 0.00 0.00 43.02 38.30 1br1 s PHE 120 CO 0.28 -2.96 0.06 0.00 -1.34 0.00 0.00 175.22 171.27 1br1 s VAL 122 N 0.23 4.02 -0.47 0.00 1.01 0.51 -2.36 120.40 123.34 1br1 s VAL 122 Ca -0.02 0.48 0.06 0.00 0.00 0.00 0.00 61.98 62.51 1br1 s VAL 122 Cb -0.03 -3.63 0.24 0.00 0.00 0.00 0.00 36.38 32.97 1br1 s VAL 122 CO -0.01 -0.77 0.83 0.52 0.00 0.00 0.00 175.10 175.67 1br1 n VAL 123 N -2.78 -0.12 -1.66 2.92 0.31 -1.19 -1.98 118.33 113.84 1br1 n VAL 123 Ca 0.06 -1.91 -0.49 0.00 -0.01 0.00 0.00 64.34 61.98 1br1 n VAL 123 Cb 0.56 0.93 -0.05 0.00 -0.91 0.00 0.00 33.84 34.37 1br1 n VAL 123 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1br1 n ILE 124 N 1.62 0.52 -1.56 2.52 -0.00 -1.21 -3.60 119.36 117.64 1br1 n ILE 124 Ca 0.11 -0.13 -0.50 0.00 -0.00 0.00 0.00 62.75 62.24 1br1 n ILE 124 Cb 0.61 -1.82 -0.04 0.00 -0.00 0.00 0.00 39.64 38.39 1br1 n ILE 124 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1br1 n ASN 125 N 6.98 1.07 0.00 4.38 2.85 -0.81 -4.76 115.26 124.98 1br1 n ASN 125 Ca 0.25 1.14 -0.21 0.00 -0.11 0.00 0.00 54.58 55.65 1br1 n ASN 125 Cb 0.28 -1.17 -0.14 0.00 1.24 0.00 0.00 39.78 39.99 1br1 n ASN 125 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1br1 h PRO 126 N 3.27 0.23 0.00 1.20 0.13 -1.93 -3.43 132.00 131.47 1br1 h PRO 126 Ca -0.43 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1br1 h PRO 126 Cb 1.36 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.64 1br1 h PRO 126 CO 0.69 1.19 0.00 0.66 -0.23 0.00 0.00 178.00 180.31 1br1 n TYR 127 N -3.95 0.00 -4.44 1.56 4.01 -1.26 -4.15 117.16 108.92 1br1 n TYR 127 Ca -0.25 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.25 1br1 n TYR 127 Cb 0.89 -0.14 -0.10 0.00 -0.31 0.00 0.00 39.34 39.68 1br1 n TYR 127 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1br1 s LYS 128 N -0.09 1.76 -1.42 -0.72 2.20 -1.26 -4.82 119.74 115.39 1br1 s LYS 128 Ca 0.00 -1.71 -0.11 0.00 -0.36 0.00 0.00 55.97 53.79 1br1 s LYS 128 Cb 0.00 -1.83 0.07 0.00 -1.51 0.00 0.00 37.83 34.56 1br1 s LYS 128 CO 0.00 0.34 2.28 1.04 -0.36 0.00 0.00 175.35 178.65 1br1 n GLN 129 N -0.62 3.51 -1.14 4.03 3.00 -1.26 -4.99 117.38 119.92 1br1 n GLN 129 Ca -0.06 -2.94 -0.34 0.00 -0.01 0.00 0.00 57.00 53.66 1br1 n GLN 129 Cb 0.60 -2.99 0.12 0.00 0.00 0.00 0.00 30.24 27.97 1br1 n GLN 129 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1br1 n LEU 130 N 4.28 4.34 -3.82 1.08 4.77 -1.26 -4.95 117.00 121.44 1br1 n LEU 130 Ca 0.55 0.60 -0.37 0.00 -0.03 0.00 0.00 56.01 56.76 1br1 n LEU 130 Cb 0.33 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 1br1 n LEU 130 CO 0.84 -1.73 0.68 -0.81 -1.33 0.00 0.00 177.39 175.04 1br1 n PRO 131 N -3.12 3.60 -0.89 3.23 -0.04 -1.26 -4.75 135.00 131.78 1br1 n PRO 131 Ca 0.13 -4.59 0.05 0.00 -0.04 0.00 0.00 63.50 59.05 1br1 n PRO 131 Cb 0.50 -2.41 0.11 0.00 -0.04 0.00 0.00 33.50 31.65 1br1 n PRO 131 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1br1 n ILE 132 N 1.29 1.08 -3.69 0.52 -5.35 -1.26 -4.95 119.36 106.99 1br1 n ILE 132 Ca 0.27 -1.93 -0.28 0.00 -0.27 0.00 0.00 62.75 60.55 1br1 n ILE 132 Cb 0.36 0.32 -0.16 0.00 -1.74 0.00 0.00 39.64 38.43 1br1 n ILE 132 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1br1 s TYR 133 N -1.59 0.90 -0.11 4.28 2.02 -1.26 -4.97 117.35 116.62 1br1 s TYR 133 Ca 0.32 -0.89 -0.30 0.00 -0.37 0.00 0.00 57.07 55.83 1br1 s TYR 133 Cb 0.33 -1.05 0.12 0.00 -0.40 0.00 0.00 41.96 40.95 1br1 s TYR 133 CO -0.09 -0.66 0.94 0.45 -1.57 0.00 0.00 175.55 174.62 1br1 s SER 134 N 1.90 -0.39 0.27 2.29 0.15 -1.26 -4.85 113.70 111.81 1br1 s SER 134 Ca 0.02 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.91 1br1 s SER 134 Cb -0.17 0.34 0.47 0.00 -1.71 0.00 0.00 66.02 64.96 1br1 s SER 134 CO -0.14 -0.44 1.58 -0.08 1.20 0.00 0.00 173.24 175.36 1br1 h GLU 135 N 2.43 0.01 -0.45 5.44 4.57 0.20 0.65 114.58 127.43 1br1 h GLU 135 Ca -0.20 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1br1 h GLU 135 Cb 1.18 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.69 1br1 h GLU 135 CO 0.32 0.01 -0.55 -0.22 -1.18 0.00 0.00 179.01 177.38 1br1 h LYS 136 N 0.01 -0.36 0.00 1.92 3.64 -1.91 0.28 116.57 120.15 1br1 h LYS 136 Ca 0.47 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.82 1br1 h LYS 136 Cb 0.78 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1br1 h LYS 136 CO -0.91 -0.24 -0.25 0.82 -2.27 0.00 0.00 179.45 176.60 1br1 h ILE 137 N -0.37 0.99 0.10 2.00 1.08 -0.37 -2.61 117.51 118.33 1br1 h ILE 137 Ca 0.08 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 1br1 h ILE 137 Cb 0.59 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1br1 h ILE 137 CO -0.62 0.24 -0.05 0.40 -0.69 0.00 0.00 178.15 177.44 1br1 h ILE 138 N 0.00 0.94 0.00 -0.67 1.08 0.20 -2.50 117.51 116.56 1br1 h ILE 138 Ca -0.00 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1br1 h ILE 138 Cb 0.50 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1br1 h ILE 138 CO 0.03 0.04 -0.12 0.44 -0.69 0.00 0.00 178.15 177.85 1br1 h ASP 139 N -0.21 0.00 -0.37 1.72 3.32 -1.06 -1.21 116.42 118.62 1br1 h ASP 139 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1br1 h ASP 139 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1br1 h ASP 139 CO 0.02 0.12 0.08 0.24 -1.72 0.00 0.00 179.24 177.98 1br1 h MET 140 N 0.00 0.60 0.00 3.56 2.86 -1.08 -3.09 114.93 117.78 1br1 h MET 140 Ca -0.00 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1br1 h MET 140 Cb 0.47 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1br1 h MET 140 CO 0.02 0.65 -0.33 1.88 1.06 0.00 0.00 176.91 180.18 1br1 h TYR 141 N 0.45 0.00 -1.24 -0.22 0.05 -1.15 -3.41 116.97 111.44 1br1 h TYR 141 Ca 0.11 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.21 1br1 h TYR 141 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1br1 h TYR 141 CO 0.02 0.02 1.30 1.17 -1.05 0.00 0.00 178.16 179.61 1br1 n LYS 142 N -2.97 1.18 0.00 4.88 4.81 -0.50 -0.56 118.16 125.00 1br1 n LYS 142 Ca 0.03 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1br1 n LYS 142 Cb 0.54 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.20 1br1 n LYS 142 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1br1 n GLY 143 N 5.96 2.36 3.65 3.14 0.00 -1.26 -4.96 105.19 114.08 1br1 n GLY 143 Ca 0.37 -0.04 -0.52 0.00 0.00 0.00 0.00 46.02 45.84 1br1 n GLY 143 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1br1 n LYS 144 N 0.00 1.54 0.00 1.61 3.00 0.28 -4.94 118.16 119.65 1br1 n LYS 144 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 1br1 n LYS 144 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 32.76 1br1 n LYS 144 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1br1 n LYS 145 N 4.12 0.15 0.01 1.64 4.81 -1.26 -4.90 118.16 122.73 1br1 n LYS 145 Ca 0.21 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.47 1br1 n LYS 145 Cb 0.21 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.15 1br1 n LYS 145 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1br1 h ARG 146 N 0.00 0.38 0.00 1.64 -0.00 -1.92 -3.36 114.38 111.12 1br1 h ARG 146 Ca 0.00 -0.44 -0.02 0.00 -0.50 0.00 0.00 59.98 59.02 1br1 h ARG 146 Cb 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 29.97 30.10 1br1 h ARG 146 CO 0.00 1.12 -1.26 -2.39 0.00 0.00 0.00 179.97 177.44 1br1 n HIS 147 N -4.22 0.77 0.41 3.04 1.44 -1.26 -4.13 115.22 111.28 1br1 n HIS 147 Ca -0.11 0.23 0.02 0.00 -2.01 0.00 0.00 57.72 55.85 1br1 n HIS 147 Cb 0.69 -0.88 0.10 0.00 0.12 0.00 0.00 29.99 30.01 1br1 n HIS 147 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1br1 n GLU 148 N -2.62 0.20 -3.84 -1.40 -0.58 -1.26 -4.68 120.64 106.47 1br1 n GLU 148 Ca -0.02 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.65 1br1 n GLU 148 Cb 0.59 -1.25 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1br1 n GLU 148 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1br1 s MET 149 N -2.00 1.71 0.32 3.49 -1.94 -1.26 -4.90 119.30 114.73 1br1 s MET 149 Ca 0.05 -0.95 -0.09 0.00 -1.71 0.00 0.00 55.69 52.99 1br1 s MET 149 Cb 0.02 0.58 -0.06 0.00 2.01 0.00 0.00 34.83 37.38 1br1 s MET 149 CO 0.04 -0.78 0.65 -1.25 -0.01 0.00 0.00 175.02 173.67 1br1 s PRO 150 N -3.79 3.76 0.04 2.03 0.04 -1.26 -4.93 135.00 130.89 1br1 s PRO 150 Ca 0.11 0.30 -0.38 0.00 0.04 0.00 0.00 61.00 61.08 1br1 s PRO 150 Cb -0.05 -2.53 -0.17 0.00 0.04 0.00 0.00 34.50 31.79 1br1 s PRO 150 CO 0.06 0.13 1.31 -0.35 0.04 0.00 0.00 177.00 178.19 1br1 n PRO 151 N -0.86 0.88 -3.47 0.56 -0.04 -1.26 -4.93 135.00 125.89 1br1 n PRO 151 Ca 0.01 0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1br1 n PRO 151 Cb 0.54 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 1br1 n PRO 151 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1br1 s HIS 152 N 0.58 -0.49 0.05 0.54 2.46 -1.26 -4.72 115.29 112.45 1br1 s HIS 152 Ca 0.87 0.43 -0.25 0.00 0.47 0.00 0.00 55.06 56.58 1br1 s HIS 152 Cb -1.04 0.53 -0.17 0.00 -0.13 0.00 0.00 32.58 31.77 1br1 s HIS 152 CO 0.50 -0.69 1.57 0.97 -2.47 0.00 0.00 174.74 174.62 1br1 h ILE 153 N 2.18 1.03 0.00 0.89 6.09 -1.96 -2.06 117.51 123.68 1br1 h ILE 153 Ca -0.28 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 1br1 h ILE 153 Cb 1.26 1.25 0.00 0.00 0.47 0.00 0.00 36.82 39.80 1br1 h ILE 153 CO 0.36 0.08 0.66 1.88 -3.07 0.00 0.00 178.15 178.06 1br1 h TYR 154 N -0.25 0.00 0.07 2.19 0.05 -1.95 0.40 116.97 117.49 1br1 h TYR 154 Ca -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 1br1 h TYR 154 Cb 0.21 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.96 1br1 h TYR 154 CO -0.02 0.00 -0.40 0.00 -1.05 0.00 0.00 178.16 176.69 1br1 h ALA 155 N 0.66 -0.04 -0.76 3.88 0.00 -1.73 -2.71 119.26 118.56 1br1 h ALA 155 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1br1 h ALA 155 Cb 1.33 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1br1 h ALA 155 CO 0.00 0.18 0.48 0.82 0.00 0.00 0.00 179.25 180.73 1br1 h ILE 156 N -0.68 1.11 0.05 0.00 2.04 -0.16 0.16 117.51 120.03 1br1 h ILE 156 Ca -0.07 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1br1 h ILE 156 Cb 1.31 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1br1 h ILE 156 CO 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 178.15 178.29 1br1 h ALA 157 N 1.32 -0.16 -0.23 1.87 0.00 -1.52 -1.72 119.26 118.82 1br1 h ALA 157 Ca 0.30 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1br1 h ALA 157 Cb 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1br1 h ALA 157 CO -0.11 -0.61 -0.31 0.22 0.00 0.00 0.00 179.25 178.43 1br1 h ASP 158 N -0.20 0.48 -0.58 0.00 1.82 -1.12 -0.74 116.42 116.08 1br1 h ASP 158 Ca 0.02 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1br1 h ASP 158 Cb 0.22 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1br1 h ASP 158 CO -0.06 0.77 0.29 0.74 -1.61 0.00 0.00 179.24 179.37 1br1 h THR 159 N 0.41 1.20 0.13 2.25 2.02 -0.39 -2.34 112.91 116.19 1br1 h THR 159 Ca 0.05 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1br1 h THR 159 Cb 0.75 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1br1 h THR 159 CO 0.06 0.23 -0.06 0.00 0.37 0.00 0.00 175.52 176.12 1br1 h ALA 160 N 1.46 -0.17 -0.48 6.16 0.00 -1.15 -2.49 119.26 122.59 1br1 h ALA 160 Ca 0.21 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1br1 h ALA 160 Cb 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1br1 h ALA 160 CO -0.03 -0.16 0.90 -0.92 0.00 0.00 0.00 179.25 179.04 1br1 h TYR 161 N -0.99 0.00 0.00 0.00 3.20 -1.11 0.21 116.97 118.28 1br1 h TYR 161 Ca -0.02 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1br1 h TYR 161 Cb 0.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1br1 h TYR 161 CO 0.00 0.00 -0.79 -2.13 -1.64 0.00 0.00 178.16 173.60 1br1 n ARG 162 N -3.05 0.49 -0.39 1.82 0.63 -0.88 -3.83 116.66 111.44 1br1 n ARG 162 Ca 0.10 0.48 0.35 0.00 -0.92 0.00 0.00 57.85 57.87 1br1 n ARG 162 Cb 1.06 -1.66 0.61 0.00 0.45 0.00 0.00 32.46 32.92 1br1 n ARG 162 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1br1 n SER 163 N -4.55 0.26 0.32 6.15 2.88 0.49 0.68 113.62 119.86 1br1 n SER 163 Ca -0.14 1.44 -0.17 0.00 -1.33 0.00 0.00 58.87 58.67 1br1 n SER 163 Cb 0.40 -0.71 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 1br1 n SER 163 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1br1 h MET 164 N 0.00 -0.75 0.00 -1.46 1.85 -1.03 -2.50 114.93 111.04 1br1 h MET 164 Ca 0.83 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.97 1br1 h MET 164 Cb 2.48 0.17 0.00 0.00 0.43 0.00 0.00 31.60 34.68 1br1 h MET 164 CO -0.57 -0.49 0.00 1.28 -0.40 0.00 0.00 176.91 176.73 1br1 n LEU 165 N -5.41 0.54 -0.03 3.39 4.77 0.21 -1.31 117.00 119.17 1br1 n LEU 165 Ca -0.13 0.64 -0.01 0.00 -0.03 0.00 0.00 56.01 56.48 1br1 n LEU 165 Cb 0.33 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1br1 n LEU 165 CO 0.37 -0.54 -0.10 1.56 -1.33 0.00 0.00 177.39 177.35 1br1 h GLN 166 N 0.00 0.00 -0.64 3.23 1.08 -0.60 -3.39 115.11 114.79 1br1 h GLN 166 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1br1 h GLN 166 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1br1 h GLN 166 CO 0.00 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 177.48 1br1 n ASP 167 N -3.41 5.06 -2.31 1.46 5.68 -0.97 -4.98 116.55 117.10 1br1 n ASP 167 Ca -0.02 -2.77 -0.14 0.00 -0.50 0.00 0.00 54.79 51.36 1br1 n ASP 167 Cb 0.08 -0.65 0.01 0.00 -1.14 0.00 0.00 41.12 39.42 1br1 n ASP 167 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1br1 n ARG 168 N 0.59 -0.72 -3.60 0.11 1.74 -0.42 -4.97 116.66 109.38 1br1 n ARG 168 Ca 0.24 0.67 -0.03 0.00 -0.77 0.00 0.00 57.85 57.96 1br1 n ARG 168 Cb 1.05 -0.92 -0.06 0.00 -1.02 0.00 0.00 32.46 31.52 1br1 n ARG 168 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1br1 s GLU 169 N -1.08 0.49 0.74 5.56 2.12 -1.14 -5.07 118.70 120.32 1br1 s GLU 169 Ca 0.13 0.94 -0.15 0.00 0.36 0.00 0.00 54.97 56.25 1br1 s GLU 169 Cb -0.01 0.26 0.05 0.00 0.26 0.00 0.00 34.13 34.68 1br1 s GLU 169 CO 0.30 -0.12 1.23 -0.51 -0.54 0.00 0.00 175.26 175.62 1br1 s ASP 170 N 1.81 4.04 0.14 -1.70 1.01 -1.26 -4.31 116.67 116.39 1br1 s ASP 170 Ca -0.08 2.43 0.01 0.00 0.71 0.00 0.00 52.55 55.62 1br1 s ASP 170 Cb -0.05 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1br1 s ASP 170 CO -0.17 -2.37 -0.00 -1.10 0.21 0.00 0.00 175.17 171.73 1br1 s GLN 171 N -3.87 0.97 0.00 8.23 -1.52 -1.19 -0.17 119.66 122.10 1br1 s GLN 171 Ca 0.76 -1.45 0.01 0.00 -1.95 0.00 0.00 55.36 52.73 1br1 s GLN 171 Cb -0.31 -0.10 -0.01 0.00 -0.22 0.00 0.00 33.01 32.38 1br1 s GLN 171 CO 0.46 -0.14 -0.02 -1.54 -0.25 0.00 0.00 175.29 173.80 1br1 s SER 172 N -3.10 0.23 -0.30 5.90 1.04 0.43 0.53 113.70 118.44 1br1 s SER 172 Ca 0.20 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1br1 s SER 172 Cb 0.06 -0.00 0.07 0.00 0.10 0.00 0.00 66.02 66.25 1br1 s SER 172 CO 0.00 -0.04 -0.03 -0.63 0.98 0.00 0.00 173.24 173.53 1br1 s ILE 173 N -0.31 2.43 -0.40 -1.02 1.01 0.53 0.11 121.20 123.55 1br1 s ILE 173 Ca -0.02 -1.79 -0.13 0.00 0.00 0.00 0.00 60.65 58.71 1br1 s ILE 173 Cb -0.02 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.95 1br1 s ILE 173 CO -0.00 -0.23 0.27 -0.76 0.00 0.00 0.00 174.94 174.22 1br1 s LEU 174 N 1.08 5.00 -0.50 2.97 1.43 -0.06 -1.40 118.68 127.20 1br1 s LEU 174 Ca -0.02 -1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 51.78 1br1 s LEU 174 Cb -0.20 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1br1 s LEU 174 CO -0.05 -0.45 0.94 0.00 0.23 0.00 0.00 176.35 177.01 1br1 n THR 176 N 6.33 0.00 0.00 0.00 -2.24 -1.25 -4.62 114.28 112.49 1br1 n THR 176 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1br1 n THR 176 Cb 0.48 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1br1 n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1br1 n GLY 177 N 5.00 0.65 3.64 3.38 0.00 -1.25 -3.62 105.19 113.00 1br1 n GLY 177 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1br1 n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1br1 s GLU 178 N -4.79 0.68 0.06 1.61 -1.05 -1.26 -4.52 118.70 109.43 1br1 s GLU 178 Ca 0.00 1.18 -0.35 0.00 -0.15 0.00 0.00 54.97 55.65 1br1 s GLU 178 Cb 0.00 -1.71 -0.15 0.00 -0.44 0.00 0.00 34.13 31.83 1br1 s GLU 178 CO 0.00 -2.75 1.54 0.45 0.95 0.00 0.00 175.26 175.46 1br1 n SER 179 N -4.28 2.55 0.00 0.83 2.88 -0.84 -1.49 113.62 113.27 1br1 n SER 179 Ca 0.08 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1br1 n SER 179 Cb 0.53 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1br1 n SER 179 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1br1 n GLY 180 N 3.28 3.10 0.00 0.46 0.00 -1.26 -4.92 105.19 105.86 1br1 n GLY 180 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1br1 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br1 n ALA 181 N -0.47 0.99 -0.40 4.61 0.00 -0.56 -4.69 120.51 119.99 1br1 n ALA 181 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1br1 n ALA 181 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1br1 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br1 n GLY 182 N -0.63 0.76 0.35 0.00 0.00 -1.26 -3.86 105.19 100.54 1br1 n GLY 182 Ca 0.00 -0.39 0.17 0.00 0.00 0.00 0.00 46.02 45.81 1br1 n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1br1 h LYS 183 N 0.36 0.58 0.16 1.61 6.56 -1.83 -3.11 116.57 120.89 1br1 h LYS 183 Ca 0.00 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1br1 h LYS 183 Cb 0.00 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.53 1br1 h LYS 183 CO 0.00 0.38 -0.08 1.15 -2.06 0.00 0.00 179.45 178.85 1br1 h THR 184 N 0.59 0.00 -0.54 -0.16 2.02 -1.93 -3.29 112.91 109.60 1br1 h THR 184 Ca 0.64 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.70 1br1 h THR 184 Cb 1.20 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 1br1 h THR 184 CO -0.46 0.00 -0.32 -0.62 0.37 0.00 0.00 175.52 174.49 1br1 n GLU 185 N -3.03 -0.24 0.32 6.66 -0.58 -1.20 0.23 120.64 122.81 1br1 n GLU 185 Ca -0.03 1.07 0.09 0.00 -0.42 0.00 0.00 57.16 57.88 1br1 n GLU 185 Cb 0.08 -1.59 0.45 0.00 -0.57 0.00 0.00 31.44 29.82 1br1 n GLU 185 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1br1 h ASN 186 N 0.00 0.00 0.11 1.62 2.35 -1.69 0.62 115.58 118.59 1br1 h ASN 186 Ca 0.09 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 1br1 h ASN 186 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1br1 h ASN 186 CO -0.51 0.00 -1.35 0.74 -1.65 0.00 0.00 177.43 174.66 1br1 h THR 187 N 0.00 1.07 -0.37 2.81 2.02 0.29 -3.06 112.91 115.66 1br1 h THR 187 Ca 0.01 -2.40 0.10 0.00 0.77 0.00 0.00 66.41 64.89 1br1 h THR 187 Cb 1.29 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 70.43 1br1 h THR 187 CO -0.00 0.69 0.26 0.11 0.37 0.00 0.00 175.52 176.96 1br1 h LYS 188 N -0.33 0.02 0.23 6.66 1.57 0.97 -1.75 116.57 123.94 1br1 h LYS 188 Ca -0.29 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1br1 h LYS 188 Cb 1.73 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1br1 h LYS 188 CO 0.06 0.01 -0.11 0.87 -0.57 0.00 0.00 179.45 179.71 1br1 h LYS 189 N 0.02 -0.30 -1.13 3.15 1.79 -1.44 -0.70 116.57 117.97 1br1 h LYS 189 Ca 0.18 0.02 0.35 0.00 -2.18 0.00 0.00 60.65 59.01 1br1 h LYS 189 Cb 0.67 0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 31.26 1br1 h LYS 189 CO -0.01 0.07 0.70 0.28 -1.08 0.00 0.00 179.45 179.41 1br1 h VAL 190 N -0.90 0.29 0.05 0.50 2.07 -1.23 1.02 116.25 118.05 1br1 h VAL 190 Ca -0.03 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 1br1 h VAL 190 Cb 0.50 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1br1 h VAL 190 CO 0.05 0.05 -0.64 0.40 0.02 0.00 0.00 177.57 177.45 1br1 h ILE 191 N 0.25 1.48 -0.77 4.57 2.04 -1.39 -2.66 117.51 121.02 1br1 h ILE 191 Ca 0.73 -2.24 0.18 0.00 1.00 0.00 0.00 64.86 64.53 1br1 h ILE 191 Cb 1.96 2.85 -0.12 0.00 -0.74 0.00 0.00 36.82 40.77 1br1 h ILE 191 CO -0.46 0.64 0.17 -0.61 0.00 0.00 0.00 178.15 177.89 1br1 h GLN 192 N -0.25 0.23 0.23 2.37 4.15 0.24 0.45 115.11 122.53 1br1 h GLN 192 Ca -0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1br1 h GLN 192 Cb 1.40 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1br1 h GLN 192 CO 0.12 0.15 -0.11 -0.92 -1.93 0.00 0.00 178.83 176.15 1br1 h TYR 193 N 0.24 -0.29 -0.16 3.99 5.03 -0.31 -3.20 116.97 122.27 1br1 h TYR 193 Ca 0.45 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.80 1br1 h TYR 193 Cb 0.80 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.17 1br1 h TYR 193 CO -0.28 -0.18 0.48 -0.07 -1.32 0.00 0.00 178.16 176.79 1br1 h LEU 194 N -0.47 0.00 -1.05 2.82 4.07 -1.09 0.18 115.31 119.77 1br1 h LEU 194 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1br1 h LEU 194 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1br1 h LEU 194 CO 0.05 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.41 1br1 h ALA 195 N 1.20 1.00 0.00 1.53 0.00 -0.09 -2.68 119.26 120.21 1br1 h ALA 195 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1br1 h ALA 195 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1br1 h ALA 195 CO -0.00 0.00 -1.24 1.55 0.00 0.00 0.00 179.25 179.56 1br1 n VAL 196 N -2.84 0.24 0.28 0.00 3.14 0.47 -4.12 118.33 115.50 1br1 n VAL 196 Ca 0.02 -0.08 0.17 0.00 -2.96 0.00 0.00 64.34 61.49 1br1 n VAL 196 Cb 0.32 -1.01 0.78 0.00 -1.06 0.00 0.00 33.84 32.87 1br1 n VAL 196 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1br1 h VAL 197 N -0.06 0.16 0.00 1.55 2.07 -1.25 -3.28 116.25 115.43 1br1 h VAL 197 Ca -0.10 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1br1 h VAL 197 Cb 1.12 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1br1 h VAL 197 CO -0.04 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1br1 n ALA 198 N -2.14 1.76 -1.03 1.67 0.00 -1.01 -5.02 120.51 114.74 1br1 n ALA 198 Ca -0.01 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1br1 n ALA 198 Cb 0.26 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.89 1br1 n ALA 198 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1br1 s SER 199 N -0.74 2.47 -0.01 0.00 1.04 -1.24 -3.16 113.70 112.07 1br1 s SER 199 Ca 0.00 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.77 1br1 s SER 199 Cb 0.00 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 1br1 s SER 199 CO 0.00 -3.25 0.13 -0.55 0.98 0.00 0.00 173.24 170.55 1br1 s SER 200 N -3.23 6.01 0.20 7.02 0.15 -1.26 -4.88 113.70 117.71 1br1 s SER 200 Ca 0.66 0.24 0.05 0.00 0.70 0.00 0.00 55.95 57.60 1br1 s SER 200 Cb -0.20 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1br1 s SER 200 CO 0.59 0.27 0.23 -1.38 1.20 0.00 0.00 173.24 174.15 1br1 s HIS 201 N -1.26 3.27 -0.24 3.44 -3.43 -1.26 -4.25 115.29 111.57 1br1 s HIS 201 Ca 0.25 -0.01 -0.00 0.00 -0.80 0.00 0.00 55.06 54.49 1br1 s HIS 201 Cb -0.12 -1.53 0.18 0.00 -1.43 0.00 0.00 32.58 29.68 1br1 s HIS 201 CO 0.16 0.50 1.92 1.17 -2.00 0.00 0.00 174.74 176.50 1br1 n LYS 202 N -0.83 1.60 0.00 -0.38 4.81 -1.26 -4.92 118.16 117.19 1br1 n LYS 202 Ca -0.08 -1.21 0.00 0.00 -0.87 0.00 0.00 58.31 56.15 1br1 n LYS 202 Cb 0.56 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1br1 n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1br1 n GLY 203 N 0.50 1.20 7.00 3.14 0.00 -1.26 -5.21 105.19 110.56 1br1 n GLY 203 Ca 0.23 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1br1 n GLY 203 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1br1 n LYS 204 N 2.32 0.00 0.00 1.61 4.76 -1.26 -5.20 118.16 120.39 1br1 n LYS 204 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1br1 n LYS 204 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1br1 n LYS 204 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1br1 n GLN 211 N 0.00 0.00 0.00 1.97 10.64 -1.23 -5.16 117.38 123.60 1br1 n GLN 211 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1br1 n GLN 211 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1br1 n GLN 211 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1br1 n GLY 212 N 0.39 2.97 0.00 2.61 0.00 -1.26 -0.48 105.19 109.42 1br1 n GLY 212 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.87 1br1 n GLY 212 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1br1 n PRO 213 N 14.00 0.02 -1.55 1.61 -0.04 -1.26 0.88 135.00 148.65 1br1 n PRO 213 Ca 0.00 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1br1 n PRO 213 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1br1 n PRO 213 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1br1 n SER 214 N -1.47 2.63 0.00 3.54 7.64 0.37 -4.85 113.62 121.47 1br1 n SER 214 Ca 0.03 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1br1 n SER 214 Cb 0.13 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1br1 n SER 214 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1br1 n PHE 215 N 12.79 0.00 -3.21 1.43 -0.00 -1.26 -3.55 117.46 123.66 1br1 n PHE 215 Ca 0.36 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.38 1br1 n PHE 215 Cb 0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.83 1br1 n PHE 215 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1br1 s SER 216 N 0.00 6.24 0.89 -2.13 1.04 -1.26 -5.05 113.70 113.43 1br1 s SER 216 Ca 0.00 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.61 1br1 s SER 216 Cb 0.00 -2.27 0.16 0.00 0.10 0.00 0.00 66.02 64.01 1br1 s SER 216 CO 0.00 -0.75 1.24 -0.31 0.98 0.00 0.00 173.24 174.40 1br1 s TYR 217 N 2.48 1.90 0.00 5.02 1.51 -1.26 -4.93 117.35 122.07 1br1 s TYR 217 Ca 0.16 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.54 1br1 s TYR 217 Cb -0.17 -3.82 0.00 0.00 -0.11 0.00 0.00 41.96 37.86 1br1 s TYR 217 CO 0.14 -2.31 0.00 0.41 -1.11 0.00 0.00 175.55 172.68 1br1 n GLY 218 N -3.52 -3.56 0.13 0.71 0.00 -1.26 -4.83 105.19 92.85 1br1 n GLY 218 Ca 0.14 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 1br1 n GLY 218 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1br1 h GLU 219 N 0.00 0.32 0.17 1.61 3.07 -1.98 -3.25 114.58 114.52 1br1 h GLU 219 Ca 0.00 -0.54 -0.27 0.00 -0.50 0.00 0.00 59.36 58.04 1br1 h GLU 219 Cb 0.00 0.20 0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1br1 h GLU 219 CO 0.00 1.21 -1.30 1.25 -1.40 0.00 0.00 179.01 178.77 1br1 h LEU 220 N 0.09 0.55 -2.57 1.33 5.85 -1.97 -3.22 115.31 115.35 1br1 h LEU 220 Ca -0.33 -0.91 0.01 0.00 0.84 0.00 0.00 57.88 57.49 1br1 h LEU 220 Cb 2.06 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 1br1 h LEU 220 CO 0.15 1.60 0.09 -0.33 -0.34 0.00 0.00 178.44 179.61 1br1 h GLU 221 N -0.17 0.00 0.09 1.25 3.07 -1.91 0.30 114.58 117.21 1br1 h GLU 221 Ca -0.25 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1br1 h GLU 221 Cb 1.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 1br1 h GLU 221 CO 0.15 0.00 -0.04 -0.22 -1.40 0.00 0.00 179.01 177.50 1br1 h LYS 222 N 0.00 -0.12 0.01 2.33 3.64 -1.58 -2.58 116.57 118.28 1br1 h LYS 222 Ca 0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1br1 h LYS 222 Cb 0.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1br1 h LYS 222 CO -0.00 0.05 -0.01 1.96 -2.27 0.00 0.00 179.45 179.19 1br1 h GLN 223 N -0.26 -0.02 -0.92 1.90 4.20 -0.80 -2.93 115.11 116.29 1br1 h GLN 223 Ca -0.01 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.96 1br1 h GLN 223 Cb 0.22 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1br1 h GLN 223 CO 0.02 0.47 0.92 1.25 -0.67 0.00 0.00 178.83 180.82 1br1 h LEU 224 N -0.51 0.00 0.20 1.46 5.85 -0.58 0.58 115.31 122.30 1br1 h LEU 224 Ca -0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1br1 h LEU 224 Cb 0.49 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.55 1br1 h LEU 224 CO 0.00 0.00 -1.41 0.25 -0.34 0.00 0.00 178.44 176.94 1br1 h LEU 225 N 0.00 0.67 -0.16 2.25 5.85 -1.28 -3.34 115.31 119.29 1br1 h LEU 225 Ca 0.43 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1br1 h LEU 225 Cb 2.28 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1br1 h LEU 225 CO -0.00 1.66 0.00 1.67 -0.34 0.00 0.00 178.44 181.43 1br1 n GLN 226 N -3.79 1.11 0.11 1.25 -0.06 0.19 -4.22 117.38 111.97 1br1 n GLN 226 Ca -0.19 -0.16 -0.05 0.00 -2.00 0.00 0.00 57.00 54.60 1br1 n GLN 226 Cb 1.02 -1.48 -0.02 0.00 -4.06 0.00 0.00 30.24 25.69 1br1 n GLN 226 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1br1 h ALA 227 N 4.03 -0.45 -1.16 1.69 0.00 -1.43 -3.31 119.26 118.62 1br1 h ALA 227 Ca 0.00 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.17 1br1 h ALA 227 Cb 0.08 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1br1 h ALA 227 CO 0.00 -0.42 0.76 -0.97 0.00 0.00 0.00 179.25 178.61 1br1 h ASN 228 N -0.78 0.33 0.49 0.00 -0.73 -1.80 0.87 115.58 113.95 1br1 h ASN 228 Ca -0.03 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1br1 h ASN 228 Cb 0.26 0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.90 1br1 h ASN 228 CO 0.06 -0.01 0.00 -0.81 -0.37 0.00 0.00 177.43 176.29 1br1 n PRO 229 N -4.59 0.12 -0.06 6.67 -0.04 -1.25 -2.20 135.00 133.64 1br1 n PRO 229 Ca 0.30 0.16 -0.05 0.00 -0.04 0.00 0.00 63.50 63.87 1br1 n PRO 229 Cb 1.12 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 33.06 1br1 n PRO 229 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1br1 n ILE 230 N -1.40 1.26 0.27 0.52 5.41 0.30 -4.07 119.36 121.64 1br1 n ILE 230 Ca 0.06 0.24 0.16 0.00 1.00 0.00 0.00 62.75 64.21 1br1 n ILE 230 Cb 0.18 -2.28 0.74 0.00 -0.71 0.00 0.00 39.64 37.57 1br1 n ILE 230 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1br1 h LEU 231 N -0.88 0.00 -1.19 1.39 3.38 -1.55 0.66 115.31 117.12 1br1 h LEU 231 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1br1 h LEU 231 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1br1 h LEU 231 CO 0.00 0.00 -0.26 -0.33 0.09 0.00 0.00 178.44 177.94 1br1 h GLU 232 N 0.00 0.00 0.00 1.13 5.08 -1.59 -3.19 114.58 116.01 1br1 h GLU 232 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1br1 h GLU 232 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1br1 h GLU 232 CO -0.00 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1br1 n ALA 233 N -2.26 0.00 -1.78 3.43 0.00 0.23 -2.48 120.51 117.65 1br1 n ALA 233 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1br1 n ALA 233 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1br1 n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1br1 n PHE 234 N -0.33 2.94 0.00 0.00 3.72 -1.24 -3.02 117.46 119.54 1br1 n PHE 234 Ca 0.00 -2.12 0.00 0.00 -0.05 0.00 0.00 57.45 55.28 1br1 n PHE 234 Cb 0.00 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.24 1br1 n PHE 234 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1br1 n GLY 235 N 4.96 0.01 3.45 1.37 0.00 -1.20 -4.89 105.19 108.90 1br1 n GLY 235 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1br1 n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1br1 s ASN 236 N 0.00 3.73 -0.10 1.61 -0.87 -1.03 -1.04 114.94 117.23 1br1 s ASN 236 Ca 0.00 -0.53 -0.30 0.00 -1.57 0.00 0.00 52.86 50.46 1br1 s ASN 236 Cb 0.00 -0.51 0.09 0.00 -0.02 0.00 0.00 41.25 40.81 1br1 s ASN 236 CO 0.00 0.22 0.80 0.00 -2.57 0.00 0.00 177.10 175.55 1br1 s ALA 237 N -1.02 -1.83 0.10 0.60 0.00 -0.38 -1.79 121.76 117.44 1br1 s ALA 237 Ca 0.16 1.44 -0.33 0.00 0.00 0.00 0.00 51.96 53.23 1br1 s ALA 237 Cb -0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 23.12 22.58 1br1 s ALA 237 CO 0.07 -0.34 1.76 1.17 0.00 0.00 0.00 175.76 178.41 1br1 n LYS 238 N 0.92 2.48 -4.19 0.00 4.81 -1.11 -2.73 118.16 118.33 1br1 n LYS 238 Ca -0.16 0.90 -0.11 0.00 -0.87 0.00 0.00 58.31 58.07 1br1 n LYS 238 Cb 0.57 -2.74 -0.10 0.00 0.02 0.00 0.00 35.03 32.78 1br1 n LYS 238 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1br1 s THR 239 N 2.32 0.50 -1.69 3.15 -4.23 -0.56 -1.62 115.64 113.51 1br1 s THR 239 Ca 0.83 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1br1 s THR 239 Cb -0.59 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1br1 s THR 239 CO 0.40 -0.63 0.38 1.33 -0.54 0.00 0.00 174.62 175.56 1br1 n VAL 240 N -0.12 0.00 0.00 2.29 0.24 -1.26 -0.55 118.33 118.93 1br1 n VAL 240 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1br1 n VAL 240 Cb 0.62 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1br1 n VAL 240 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1br1 n LYS 241 N -0.87 3.06 -3.34 7.34 5.02 -1.26 -5.06 118.16 123.05 1br1 n LYS 241 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1br1 n LYS 241 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 1br1 n LYS 241 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1br1 s ASN 242 N -1.17 -0.72 0.53 4.39 2.47 0.29 -4.73 114.94 116.00 1br1 s ASN 242 Ca 0.00 0.78 0.35 0.00 0.42 0.00 0.00 52.86 54.42 1br1 s ASN 242 Cb 0.00 1.74 1.51 0.00 -1.45 0.00 0.00 41.25 43.05 1br1 s ASN 242 CO 0.00 -0.14 1.79 0.44 -3.72 0.00 0.00 177.10 175.48 1br1 h ASP 243 N 7.72 0.05 -2.06 -4.21 3.32 -1.88 -1.39 116.42 117.96 1br1 h ASP 243 Ca -0.16 0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.33 1br1 h ASP 243 Cb 1.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.29 1br1 h ASP 243 CO 0.07 0.00 -0.98 -3.20 -1.72 0.00 0.00 179.24 173.42 1br1 n ASN 244 N -4.23 1.04 -4.78 6.45 5.15 -1.26 -2.77 115.26 114.87 1br1 n ASN 244 Ca 0.26 -2.87 -0.38 0.00 -0.60 0.00 0.00 54.58 50.99 1br1 n ASN 244 Cb 1.23 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.78 1br1 n ASN 244 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1br1 s SER 245 N -1.46 7.37 -0.59 1.20 0.15 -0.97 -4.78 113.70 114.62 1br1 s SER 245 Ca 0.36 1.77 -0.28 0.00 0.70 0.00 0.00 55.95 58.50 1br1 s SER 245 Cb 0.16 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1br1 s SER 245 CO -0.09 0.04 1.24 -0.44 1.20 0.00 0.00 173.24 175.19 1br1 s SER 246 N -1.46 6.37 -0.01 5.45 0.01 -1.26 -1.25 113.70 121.54 1br1 s SER 246 Ca 0.45 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.83 1br1 s SER 246 Cb -0.21 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.50 1br1 s SER 246 CO 0.25 -1.55 0.70 0.54 0.41 0.00 0.00 173.24 173.60 1br1 n ARG 247 N 8.55 1.13 -3.64 12.44 3.00 -0.21 -4.75 116.66 133.19 1br1 n ARG 247 Ca 0.09 -0.12 -0.09 0.00 -0.01 0.00 0.00 57.85 57.71 1br1 n ARG 247 Cb 0.49 -1.37 -0.07 0.00 0.00 0.00 0.00 32.46 31.51 1br1 n ARG 247 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1br1 s PHE 248 N -1.36 -0.62 0.62 -1.55 -0.71 -1.26 -2.39 117.98 110.71 1br1 s PHE 248 Ca 0.02 1.44 -0.18 0.00 -1.04 0.00 0.00 56.93 57.17 1br1 s PHE 248 Cb 0.02 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.16 1br1 s PHE 248 CO 0.01 -0.30 1.20 0.20 -1.34 0.00 0.00 175.22 174.99 1br1 s GLY 249 N 0.54 2.65 -0.13 1.99 0.00 -1.26 -4.65 107.32 106.45 1br1 s GLY 249 Ca -0.00 0.97 -0.10 0.00 0.00 0.00 0.00 44.72 45.59 1br1 s GLY 249 CO -0.07 1.36 0.34 -1.59 0.00 0.00 0.00 173.10 173.14 1br1 s LYS 250 N -3.46 0.35 -0.32 2.90 -2.85 0.21 -1.69 119.74 114.87 1br1 s LYS 250 Ca 0.76 0.56 0.01 0.00 -1.00 0.00 0.00 55.97 56.31 1br1 s LYS 250 Cb -0.30 0.07 0.10 0.00 -2.06 0.00 0.00 37.83 35.64 1br1 s LYS 250 CO 0.35 -0.10 0.08 0.12 0.10 0.00 0.00 175.35 175.90 1br1 s PHE 251 N 0.73 2.61 0.11 1.78 2.19 -0.76 -0.09 117.98 124.55 1br1 s PHE 251 Ca -0.05 -2.30 -0.25 0.00 0.33 0.00 0.00 56.93 54.67 1br1 s PHE 251 Cb -0.06 -2.25 -0.07 0.00 -1.31 0.00 0.00 43.02 39.34 1br1 s PHE 251 CO -0.05 -0.91 0.77 0.42 1.83 0.00 0.00 175.22 177.28 1br1 s ILE 252 N 1.29 4.54 -0.16 3.12 1.09 -0.65 -1.77 121.20 128.66 1br1 s ILE 252 Ca 0.10 1.66 0.01 0.00 -1.10 0.00 0.00 60.65 61.32 1br1 s ILE 252 Cb -0.18 -4.12 0.02 0.00 -1.06 0.00 0.00 42.46 37.12 1br1 s ILE 252 CO -0.18 0.45 -0.16 -0.60 -0.10 0.00 0.00 174.94 174.35 1br1 s ARG 253 N -0.65 2.56 -0.13 2.79 3.52 0.04 -1.69 118.95 125.38 1br1 s ARG 253 Ca 0.37 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 55.27 1br1 s ARG 253 Cb -0.22 -2.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.86 1br1 s ARG 253 CO 0.25 -0.23 0.01 0.42 -0.81 0.00 0.00 175.30 174.94 1br1 s ILE 254 N 1.41 4.37 -0.19 4.11 1.01 -0.42 -0.50 121.20 131.00 1br1 s ILE 254 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 1br1 s ILE 254 Cb -0.13 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1br1 s ILE 254 CO -0.12 0.53 -0.00 0.20 0.00 0.00 0.00 174.94 175.55 1br1 s ASN 255 N -0.18 4.89 0.12 3.58 0.01 -0.07 -0.27 114.94 123.02 1br1 s ASN 255 Ca 0.05 -0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.13 1br1 s ASN 255 Cb -0.12 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 1br1 s ASN 255 CO 0.02 0.10 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.22 1br1 s PHE 256 N 0.76 2.64 0.00 2.20 0.08 0.13 0.47 117.98 124.27 1br1 s PHE 256 Ca 0.00 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1br1 s PHE 256 Cb -0.14 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 1br1 s PHE 256 CO 0.02 0.42 0.00 -0.40 -0.10 0.00 0.00 175.22 175.16 1br1 n ASP 257 N 0.68 0.00 0.11 1.36 5.68 -0.29 -2.18 116.55 121.91 1br1 n ASP 257 Ca -0.14 -0.26 -0.17 0.00 -0.50 0.00 0.00 54.79 53.72 1br1 n ASP 257 Cb 0.53 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.36 1br1 n ASP 257 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1br1 h VAL 258 N -0.22 1.46 0.00 2.12 2.07 -1.99 -3.16 116.25 116.53 1br1 h VAL 258 Ca 0.00 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.52 1br1 h VAL 258 Cb 0.00 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1br1 h VAL 258 CO 0.00 0.88 0.00 0.35 0.02 0.00 0.00 177.57 178.82 1br1 n THR 259 N -3.56 1.13 -0.21 2.57 -2.24 -1.26 -4.86 114.28 105.85 1br1 n THR 259 Ca -0.10 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1br1 n THR 259 Cb 1.04 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1br1 n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1br1 n GLY 260 N -0.22 0.87 3.87 3.38 0.00 -1.19 -5.09 105.19 106.80 1br1 n GLY 260 Ca 0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1br1 n GLY 260 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1br1 s TYR 261 N -2.00 3.40 0.20 1.61 1.51 -1.26 -4.83 117.35 115.98 1br1 s TYR 261 Ca 0.00 0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.94 1br1 s TYR 261 Cb 0.00 -1.70 -0.09 0.00 -0.11 0.00 0.00 41.96 40.06 1br1 s TYR 261 CO 0.00 0.56 1.29 0.42 -1.11 0.00 0.00 175.55 176.71 1br1 s ILE 262 N -1.48 3.25 0.00 2.71 1.01 -1.19 -1.14 121.20 124.37 1br1 s ILE 262 Ca 0.33 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.03 1br1 s ILE 262 Cb -0.13 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1br1 s ILE 262 CO 0.26 0.16 0.00 0.55 0.00 0.00 0.00 174.94 175.91 1br1 n VAL 263 N 2.49 0.00 -4.11 2.92 3.14 0.18 -4.76 118.33 118.18 1br1 n VAL 263 Ca 0.05 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.30 1br1 n VAL 263 Cb 0.43 -0.16 -0.06 0.00 -1.06 0.00 0.00 33.84 32.99 1br1 n VAL 263 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1br1 s GLY 264 N -1.26 1.30 -0.29 7.55 0.00 -0.97 -4.89 107.32 108.76 1br1 s GLY 264 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 44.72 43.13 1br1 s GLY 264 CO 0.00 -1.05 0.85 0.00 0.00 0.00 0.00 173.10 172.91 1br1 s ALA 265 N -3.64 -2.25 0.29 3.20 0.00 0.65 -0.89 121.76 119.11 1br1 s ALA 265 Ca 0.31 2.24 0.09 0.00 0.00 0.00 0.00 51.96 54.61 1br1 s ALA 265 Cb 0.02 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1br1 s ALA 265 CO 0.16 -0.62 0.06 1.21 0.00 0.00 0.00 175.76 176.57 1br1 s ASN 266 N 1.99 4.69 -0.17 0.00 3.04 0.35 -3.74 114.94 121.09 1br1 s ASN 266 Ca -0.07 -0.65 -0.04 0.00 0.04 0.00 0.00 52.86 52.14 1br1 s ASN 266 Cb -0.06 -0.86 0.08 0.00 -1.54 0.00 0.00 41.25 38.86 1br1 s ASN 266 CO -0.17 -0.10 0.20 -0.63 -3.04 0.00 0.00 177.10 173.35 1br1 s ILE 267 N -2.34 -0.30 -0.54 -5.21 1.09 -1.26 -0.78 121.20 111.86 1br1 s ILE 267 Ca 0.34 0.02 -0.17 0.00 -1.10 0.00 0.00 60.65 59.74 1br1 s ILE 267 Cb -0.05 -0.56 0.12 0.00 -1.06 0.00 0.00 42.46 40.91 1br1 s ILE 267 CO 0.21 -0.10 0.53 -0.70 -0.10 0.00 0.00 174.94 174.78 1br1 s GLU 268 N 2.31 3.00 0.49 2.79 2.56 -0.73 -4.96 118.70 124.16 1br1 s GLU 268 Ca 0.05 -1.59 -0.14 0.00 0.00 0.00 0.00 54.97 53.30 1br1 s GLU 268 Cb -0.15 -4.27 -0.07 0.00 2.00 0.00 0.00 34.13 31.64 1br1 s GLU 268 CO -0.10 -1.34 0.91 -0.08 -0.56 0.00 0.00 175.26 174.09 1br1 s THR 269 N 1.83 4.64 0.00 -1.70 -1.32 -1.26 -1.84 115.64 116.00 1br1 s THR 269 Ca 0.05 0.96 0.00 0.00 -1.21 0.00 0.00 61.69 61.49 1br1 s THR 269 Cb -0.28 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 66.97 1br1 s THR 269 CO 0.04 -0.68 0.00 -1.22 -2.21 0.00 0.00 174.62 170.55 1br1 n TYR 270 N -1.61 0.00 -1.59 9.09 4.01 -0.68 -4.98 117.16 121.40 1br1 n TYR 270 Ca 0.05 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.53 1br1 n TYR 270 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 1br1 n TYR 270 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1br1 n LEU 271 N 0.00 2.20 -4.55 7.72 4.77 -1.26 -4.81 117.00 121.06 1br1 n LEU 271 Ca 0.00 -2.67 -0.37 0.00 -0.03 0.00 0.00 56.01 52.94 1br1 n LEU 271 Cb 0.00 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.52 1br1 n LEU 271 CO 0.00 -2.50 1.41 -0.22 -1.33 0.00 0.00 177.39 174.75 1br1 s LEU 272 N 11.54 3.27 -0.06 2.23 2.96 -1.26 -4.40 118.68 132.95 1br1 s LEU 272 Ca 0.73 -0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 53.91 1br1 s LEU 272 Cb 0.01 -2.55 -0.34 0.00 0.50 0.00 0.00 46.19 43.81 1br1 s LEU 272 CO 0.18 -2.16 1.58 1.21 -1.32 0.00 0.00 176.35 175.85 1br1 n GLU 273 N 9.10 0.12 0.00 1.98 2.13 -1.01 -4.56 120.64 128.41 1br1 n GLU 273 Ca 0.23 -1.04 0.13 0.00 0.66 0.00 0.00 57.16 57.14 1br1 n GLU 273 Cb 0.50 -2.50 0.80 0.00 0.27 0.00 0.00 31.44 30.50 1br1 n GLU 273 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1br1 n LYS 274 N 7.73 0.86 0.02 5.31 -0.00 -1.26 -3.67 118.16 127.16 1br1 n LYS 274 Ca 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.74 1br1 n LYS 274 Cb 0.39 -1.49 -0.01 0.00 -0.00 0.00 0.00 35.03 33.92 1br1 n LYS 274 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1br1 h SER 275 N 0.00 -0.18 0.00 -5.58 0.02 -1.91 -1.88 113.55 104.03 1br1 h SER 275 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1br1 h SER 275 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1br1 h SER 275 CO 0.00 -0.07 0.30 -2.11 -1.14 0.00 0.00 176.83 173.81 1br1 n ARG 276 N -2.73 0.00 0.21 3.45 1.85 -1.24 -1.31 116.66 116.88 1br1 n ARG 276 Ca -0.01 0.00 0.15 0.00 -1.00 0.00 0.00 57.85 56.99 1br1 n ARG 276 Cb 0.05 -1.80 0.61 0.00 -1.05 0.00 0.00 32.46 30.27 1br1 n ARG 276 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1br1 h ALA 277 N 0.02 1.00 0.00 2.89 0.00 -1.60 -3.28 119.26 118.29 1br1 h ALA 277 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1br1 h ALA 277 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1br1 h ALA 277 CO 0.00 0.00 -1.87 0.44 0.00 0.00 0.00 179.25 177.82 1br1 n ILE 278 N -2.65 0.88 -3.60 0.00 -5.35 -0.43 -4.90 119.36 103.31 1br1 n ILE 278 Ca 0.01 -0.35 -0.16 0.00 -0.27 0.00 0.00 62.75 61.98 1br1 n ILE 278 Cb 0.25 -1.02 -0.14 0.00 -1.74 0.00 0.00 39.64 36.99 1br1 n ILE 278 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1br1 s ARG 279 N -2.31 0.14 0.11 6.28 0.52 -1.24 -4.39 118.95 118.07 1br1 s ARG 279 Ca -0.20 0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 55.46 1br1 s ARG 279 Cb 0.05 -0.51 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1br1 s ARG 279 CO 0.36 -0.43 0.36 -0.65 0.02 0.00 0.00 175.30 174.97 1br1 s GLN 280 N 2.36 3.64 0.10 3.54 1.11 -1.26 -4.36 119.66 124.79 1br1 s GLN 280 Ca 0.04 -0.04 -0.02 0.00 0.01 0.00 0.00 55.36 55.35 1br1 s GLN 280 Cb -0.13 -2.92 0.03 0.00 -1.01 0.00 0.00 33.01 28.97 1br1 s GLN 280 CO -0.09 0.52 0.08 0.00 0.01 0.00 0.00 175.29 175.81 1br1 n ALA 281 N 0.43 -0.30 -2.41 6.09 0.00 -1.26 -4.70 120.51 118.37 1br1 n ALA 281 Ca -0.05 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1br1 n ALA 281 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 1br1 n ALA 281 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1br1 s LYS 282 N -3.19 4.36 0.00 0.00 2.36 -1.26 -3.31 119.74 118.70 1br1 s LYS 282 Ca 0.06 1.75 0.00 0.00 -2.55 0.00 0.00 55.97 55.23 1br1 s LYS 282 Cb -0.01 -3.50 0.00 0.00 -1.05 0.00 0.00 37.83 33.27 1br1 s LYS 282 CO 0.04 -0.42 0.00 -0.25 1.55 0.00 0.00 175.35 176.28 1br1 n ASP 283 N 4.87 -2.21 -4.35 1.43 8.00 -1.26 -4.86 116.55 118.17 1br1 n ASP 283 Ca 0.11 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.44 1br1 n ASP 283 Cb 0.46 -1.04 0.05 0.00 -0.02 0.00 0.00 41.12 40.57 1br1 n ASP 283 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1br1 n GLU 284 N -1.96 0.70 -4.23 -1.24 1.02 -1.21 -4.73 120.64 109.00 1br1 n GLU 284 Ca 0.00 -2.55 -0.14 0.00 -0.02 0.00 0.00 57.16 54.45 1br1 n GLU 284 Cb 0.08 -0.12 -0.10 0.00 -0.02 0.00 0.00 31.44 31.28 1br1 n GLU 284 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1br1 s ARG 285 N -4.07 1.31 0.00 3.49 0.52 -0.64 -4.84 118.95 114.72 1br1 s ARG 285 Ca 0.46 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 1br1 s ARG 285 Cb -0.04 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.64 1br1 s ARG 285 CO 0.29 -0.42 0.00 0.25 0.02 0.00 0.00 175.30 175.44 1br1 n THR 286 N -0.35 0.00 -1.79 0.02 -2.24 -1.26 -4.47 114.28 104.18 1br1 n THR 286 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1br1 n THR 286 Cb 0.66 -1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 1br1 n THR 286 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1br1 s PHE 287 N 0.38 1.49 0.00 4.78 0.40 -1.26 -4.43 117.98 119.34 1br1 s PHE 287 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 1br1 s PHE 287 Cb 0.00 -4.03 0.00 0.00 0.51 0.00 0.00 43.02 39.50 1br1 s PHE 287 CO 0.00 -3.83 0.00 0.72 0.70 0.00 0.00 175.22 172.81 1br1 n HIS 288 N 10.26 0.00 -0.17 0.36 8.25 -0.74 0.19 115.22 133.38 1br1 n HIS 288 Ca 0.25 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.87 1br1 n HIS 288 Cb 0.45 -0.11 0.29 0.00 1.12 0.00 0.00 29.99 31.74 1br1 n HIS 288 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1br1 n ILE 289 N -2.24 -0.22 0.07 1.59 0.13 -1.24 -0.66 119.36 116.80 1br1 n ILE 289 Ca 0.00 1.06 -0.06 0.00 -1.10 0.00 0.00 62.75 62.66 1br1 n ILE 289 Cb 0.00 -1.71 -0.03 0.00 -0.84 0.00 0.00 39.64 37.06 1br1 n ILE 289 CO 0.00 0.00 0.00 -0.26 2.80 0.00 0.00 176.55 179.09 1br1 h PHE 290 N 0.00 -0.46 -0.67 9.51 0.04 -0.61 0.25 116.94 125.00 1br1 h PHE 290 Ca 0.43 0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.31 1br1 h PHE 290 Cb 1.13 0.18 -0.08 0.00 2.20 0.00 0.00 35.95 39.38 1br1 h PHE 290 CO -0.03 -0.20 0.28 1.88 -0.60 0.00 0.00 178.31 179.63 1br1 h TYR 291 N -0.29 0.48 -0.41 -0.55 -1.99 -1.07 0.03 116.97 113.18 1br1 h TYR 291 Ca -0.01 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.83 1br1 h TYR 291 Cb 0.26 -0.11 -0.09 0.00 2.00 0.00 0.00 36.73 38.79 1br1 h TYR 291 CO -0.20 0.12 -0.26 1.88 -0.00 0.00 0.00 178.16 179.70 1br1 h TYR 292 N 0.47 -0.70 0.26 4.88 -1.99 -0.90 -1.59 116.97 117.40 1br1 h TYR 292 Ca 0.34 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.11 1br1 h TYR 292 Cb 0.43 0.37 0.00 0.00 2.00 0.00 0.00 36.73 39.53 1br1 h TYR 292 CO -0.15 -0.34 -0.12 1.25 -0.00 0.00 0.00 178.16 178.80 1br1 h LEU 293 N -0.19 -0.29 -1.44 3.88 5.85 0.11 1.64 115.31 124.87 1br1 h LEU 293 Ca 0.19 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1br1 h LEU 293 Cb 0.49 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1br1 h LEU 293 CO -0.52 -0.16 0.28 0.40 -0.34 0.00 0.00 178.44 178.10 1br1 h ILE 294 N -0.40 0.00 0.00 4.05 2.04 -0.45 -1.68 117.51 121.07 1br1 h ILE 294 Ca -0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1br1 h ILE 294 Cb 0.31 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1br1 h ILE 294 CO 0.06 0.00 -0.91 0.00 0.00 0.00 0.00 178.15 177.29 1br1 n ALA 295 N -1.73 2.37 0.55 1.87 0.00 -0.65 -4.65 120.51 118.26 1br1 n ALA 295 Ca -0.01 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.17 1br1 n ALA 295 Cb 0.31 0.28 0.28 0.00 0.00 0.00 0.00 19.45 20.33 1br1 n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br1 n GLY 296 N 2.64 -0.59 3.73 0.00 0.00 0.55 -4.77 105.19 106.75 1br1 n GLY 296 Ca -0.11 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1br1 n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br1 n ALA 297 N -1.23 2.35 -1.78 4.61 0.00 -0.64 -4.95 120.51 118.87 1br1 n ALA 297 Ca 0.06 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 1br1 n ALA 297 Cb 0.08 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.04 1br1 n ALA 297 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1br1 s SER 298 N 0.63 6.78 0.18 0.00 1.04 -1.26 -4.77 113.70 116.29 1br1 s SER 298 Ca 0.68 2.06 -0.27 0.00 0.48 0.00 0.00 55.95 58.89 1br1 s SER 298 Cb -0.53 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.02 1br1 s SER 298 CO 0.45 -0.48 1.55 -0.08 0.98 0.00 0.00 173.24 175.66 1br1 h GLU 299 N 2.57 -0.08 0.00 4.02 4.22 -1.97 2.30 114.58 125.65 1br1 h GLU 299 Ca -0.48 0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1br1 h GLU 299 Cb 1.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1br1 h GLU 299 CO 0.63 -0.05 0.00 0.94 -2.18 0.00 0.00 179.01 178.34 1br1 n GLN 300 N -5.35 0.00 0.26 1.92 0.00 -1.26 -1.64 117.38 111.31 1br1 n GLN 300 Ca 0.03 0.39 0.09 0.00 -0.00 0.00 0.00 57.00 57.52 1br1 n GLN 300 Cb 0.32 -1.26 0.50 0.00 0.00 0.00 0.00 30.24 29.80 1br1 n GLN 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1br1 h MET 301 N 0.00 0.00 0.20 3.69 -0.00 -1.88 -1.26 114.93 115.68 1br1 h MET 301 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1br1 h MET 301 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.56 1br1 h MET 301 CO 0.00 0.00 -0.50 -0.09 -0.00 0.00 0.00 176.91 176.32 1br1 h ARG 302 N 0.00 -0.75 -0.40 -0.10 1.12 0.48 -2.48 114.38 112.26 1br1 h ARG 302 Ca 0.00 0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 58.77 1br1 h ARG 302 Cb 0.84 0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.96 1br1 h ARG 302 CO 0.00 -0.50 -0.33 -2.95 -3.11 0.00 0.00 179.97 173.09 1br1 h ASN 303 N -0.77 0.97 -0.53 -3.80 7.08 -1.21 -1.58 115.58 115.74 1br1 h ASN 303 Ca -0.02 -0.45 0.15 0.00 -3.08 0.00 0.00 56.30 52.91 1br1 h ASN 303 Cb 0.75 -0.27 -0.02 0.00 -2.08 0.00 0.00 38.32 36.69 1br1 h ASN 303 CO -0.22 1.21 1.05 0.44 -2.08 0.00 0.00 177.43 177.84 1br1 h ASP 304 N 0.74 0.00 0.00 6.14 5.19 -1.19 2.67 116.42 129.97 1br1 h ASP 304 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1br1 h ASP 304 Cb 0.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1br1 h ASP 304 CO 0.08 0.00 -0.01 0.18 -3.12 0.00 0.00 179.24 176.37 1br1 n LEU 305 N -2.94 1.70 -3.47 1.55 4.77 -1.11 -5.00 117.00 112.49 1br1 n LEU 305 Ca 0.12 -1.81 -0.22 0.00 -0.03 0.00 0.00 56.01 54.07 1br1 n LEU 305 Cb 1.21 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 42.30 1br1 n LEU 305 CO 0.14 0.44 -0.00 0.18 -1.33 0.00 0.00 177.39 176.82 1br1 n LEU 306 N -0.52 -4.21 -4.18 2.23 4.77 0.89 -4.72 117.00 111.26 1br1 n LEU 306 Ca 0.02 -0.82 -0.44 0.00 -0.03 0.00 0.00 56.01 54.74 1br1 n LEU 306 Cb 0.34 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 1br1 n LEU 306 CO 0.00 0.19 1.00 0.18 -1.33 0.00 0.00 177.39 177.43 1br1 n LEU 307 N -3.55 5.95 -4.65 2.23 4.77 -0.60 -4.99 117.00 116.17 1br1 n LEU 307 Ca -0.08 -5.08 -0.31 0.00 -0.03 0.00 0.00 56.01 50.51 1br1 n LEU 307 Cb 0.60 -1.39 0.18 0.00 -2.33 0.00 0.00 43.42 40.47 1br1 n LEU 307 CO 0.63 1.48 0.66 -1.61 -1.33 0.00 0.00 177.39 177.21 1br1 s GLU 308 N -1.80 0.72 0.00 3.23 2.02 -1.26 -4.85 118.70 116.76 1br1 s GLU 308 Ca 0.32 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.77 1br1 s GLU 308 Cb -0.03 -1.70 0.00 0.00 0.10 0.00 0.00 34.13 32.50 1br1 s GLU 308 CO 0.01 -2.81 0.00 0.41 0.02 0.00 0.00 175.26 172.89 1br1 n GLY 309 N 0.33 -3.47 3.81 -1.39 0.00 -1.26 -4.89 105.19 98.32 1br1 n GLY 309 Ca 0.11 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1br1 n GLY 309 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1br1 s PHE 310 N -0.91 3.12 -0.60 1.61 0.40 -1.26 -3.45 117.98 116.89 1br1 s PHE 310 Ca 0.00 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.85 1br1 s PHE 310 Cb 0.00 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1br1 s PHE 310 CO 0.00 -0.82 0.00 0.09 0.70 0.00 0.00 175.22 175.19 1br1 n ASN 311 N -1.60 -4.41 -0.26 1.36 5.03 -1.26 -4.77 115.26 109.35 1br1 n ASN 311 Ca 0.08 0.14 0.06 0.00 0.87 0.00 0.00 54.58 55.74 1br1 n ASN 311 Cb 0.53 -2.40 -0.01 0.00 -1.02 0.00 0.00 39.78 36.88 1br1 n ASN 311 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1br1 n ASN 312 N -0.11 1.33 -4.37 6.41 5.03 -1.22 -4.93 115.26 117.40 1br1 n ASN 312 Ca -0.06 -1.16 -0.32 0.00 0.87 0.00 0.00 54.58 53.91 1br1 n ASN 312 Cb 0.31 0.53 -0.15 0.00 -1.02 0.00 0.00 39.78 39.45 1br1 n ASN 312 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1br1 s TYR 313 N -1.71 2.46 -1.42 3.10 1.51 -1.26 -4.96 117.35 115.07 1br1 s TYR 313 Ca 0.10 -0.34 0.24 0.00 -1.01 0.00 0.00 57.07 56.07 1br1 s TYR 313 Cb 0.11 -1.54 0.39 0.00 -0.11 0.00 0.00 41.96 40.81 1br1 s TYR 313 CO 0.36 0.06 1.33 2.41 -1.11 0.00 0.00 175.55 178.59 1br1 n THR 314 N 2.32 0.00 0.96 -0.71 -1.04 -1.26 -3.89 114.28 110.67 1br1 n THR 314 Ca -0.16 -0.08 0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1br1 n THR 314 Cb 0.51 0.58 0.57 0.00 -1.82 0.00 0.00 70.33 70.18 1br1 n THR 314 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1br1 n PHE 315 N -0.98 0.00 -3.41 -1.42 3.72 -1.26 -4.37 117.46 109.74 1br1 n PHE 315 Ca 0.08 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.04 1br1 n PHE 315 Cb 0.36 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 1br1 n PHE 315 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1br1 s LEU 316 N -2.91 6.37 0.74 4.37 1.43 -1.25 -4.26 118.68 123.16 1br1 s LEU 316 Ca 0.15 -2.99 -0.14 0.00 -1.03 0.00 0.00 54.13 50.13 1br1 s LEU 316 Cb 0.17 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1br1 s LEU 316 CO 0.46 -0.45 1.15 -0.94 0.23 0.00 0.00 176.35 176.79 1br1 s SER 317 N 1.59 4.36 -1.76 2.29 1.04 -1.26 -2.40 113.70 117.55 1br1 s SER 317 Ca 0.21 2.13 -0.00 0.00 0.48 0.00 0.00 55.95 58.77 1br1 s SER 317 Cb -0.11 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1br1 s SER 317 CO -0.08 -2.14 0.02 0.59 0.98 0.00 0.00 173.24 172.60 1br1 n ASN 318 N -2.98 -5.87 0.00 7.02 3.02 -1.26 -4.73 115.26 110.46 1br1 n ASN 318 Ca 0.11 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1br1 n ASN 318 Cb 0.52 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 1br1 n ASN 318 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1br1 n GLY 319 N -1.03 1.12 3.48 7.41 0.00 -1.01 -3.78 105.19 111.38 1br1 n GLY 319 Ca -0.24 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1br1 n GLY 319 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1br1 s HIS 320 N 0.00 3.01 -0.04 1.61 5.65 -1.26 -4.91 115.29 119.35 1br1 s HIS 320 Ca 0.00 -0.30 -0.05 0.00 0.25 0.00 0.00 55.06 54.95 1br1 s HIS 320 Cb 0.00 -3.55 -0.04 0.00 -1.18 0.00 0.00 32.58 27.80 1br1 s HIS 320 CO 0.00 -1.03 0.20 0.08 -0.65 0.00 0.00 174.74 173.34 1br1 s VAL 321 N 2.89 5.41 0.25 0.89 1.01 -1.25 -5.10 120.40 124.50 1br1 s VAL 321 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1br1 s VAL 321 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1br1 s VAL 321 CO 0.15 0.43 0.42 -2.16 0.00 0.00 0.00 175.10 173.94 1br1 s PRO 322 N -1.60 3.48 -0.19 2.72 0.04 -1.26 -5.07 135.00 133.12 1br1 s PRO 322 Ca 0.24 -0.48 -0.03 0.00 0.04 0.00 0.00 61.00 60.77 1br1 s PRO 322 Cb -0.13 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 1br1 s PRO 322 CO 0.14 0.35 -0.07 -1.50 0.04 0.00 0.00 177.00 175.96 1br1 s ILE 323 N -2.02 3.32 0.29 0.56 2.07 -1.26 -5.09 121.20 119.07 1br1 s ILE 323 Ca 0.37 -0.53 -0.30 0.00 -1.41 0.00 0.00 60.65 58.78 1br1 s ILE 323 Cb -0.10 -2.47 -0.13 0.00 0.13 0.00 0.00 42.46 39.89 1br1 s ILE 323 CO 0.31 0.46 1.40 -0.81 -1.91 0.00 0.00 174.94 174.39 1br1 n PRO 324 N 4.32 2.20 -0.66 3.50 -0.04 -1.26 -2.29 135.00 140.77 1br1 n PRO 324 Ca -0.18 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1br1 n PRO 324 Cb 0.51 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1br1 n PRO 324 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1br1 n ALA 325 N 1.35 0.00 -2.99 0.55 0.00 -1.26 -4.94 120.51 113.22 1br1 n ALA 325 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 1br1 n ALA 325 Cb 0.34 -0.88 -0.17 0.00 0.00 0.00 0.00 19.45 18.75 1br1 n ALA 325 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1br1 s GLN 326 N -0.95 2.39 -0.42 0.00 0.74 -0.97 -5.10 119.66 115.37 1br1 s GLN 326 Ca 0.00 -0.77 -0.06 0.00 0.05 0.00 0.00 55.36 54.59 1br1 s GLN 326 Cb 0.00 -1.96 0.10 0.00 1.10 0.00 0.00 33.01 32.25 1br1 s GLN 326 CO 0.00 0.25 0.23 -1.14 -0.55 0.00 0.00 175.29 174.08 1br1 s GLN 327 N 0.12 2.28 0.35 1.67 0.74 -1.26 -4.52 119.66 119.04 1br1 s GLN 327 Ca -0.09 -1.68 0.11 0.00 0.05 0.00 0.00 55.36 53.75 1br1 s GLN 327 Cb -0.15 -3.67 0.87 0.00 1.10 0.00 0.00 33.01 31.17 1br1 s GLN 327 CO 0.05 -1.03 1.82 -0.44 -0.55 0.00 0.00 175.29 175.13 1br1 h ASP 328 N 8.22 0.63 -0.60 6.67 3.32 -1.97 0.67 116.42 133.36 1br1 h ASP 328 Ca -0.18 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.00 1br1 h ASP 328 Cb 1.06 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 40.47 1br1 h ASP 328 CO 0.73 0.25 -0.57 0.44 -1.72 0.00 0.00 179.24 178.37 1br1 h ASP 329 N 0.63 -1.96 -0.08 6.45 5.19 -1.92 -1.81 116.42 122.92 1br1 h ASP 329 Ca 0.52 0.27 -0.14 0.00 -0.62 0.00 0.00 57.03 57.06 1br1 h ASP 329 Cb 0.98 0.83 0.01 0.00 0.18 0.00 0.00 39.33 41.33 1br1 h ASP 329 CO -0.28 -0.35 -0.50 1.05 -3.12 0.00 0.00 179.24 176.04 1br1 h GLU 330 N -0.27 0.48 -0.67 3.56 4.11 -1.84 -3.24 114.58 116.72 1br1 h GLU 330 Ca 0.10 -0.41 0.28 0.00 0.07 0.00 0.00 59.36 59.40 1br1 h GLU 330 Cb 0.54 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.76 1br1 h GLU 330 CO -0.71 1.05 0.35 -1.33 0.07 0.00 0.00 179.01 178.44 1br1 n MET 331 N -4.25 -0.04 0.00 1.06 2.81 0.17 0.03 117.12 116.91 1br1 n MET 331 Ca -0.08 0.92 0.00 0.00 -1.81 0.00 0.00 57.70 56.73 1br1 n MET 331 Cb 0.60 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1br1 n MET 331 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1br1 n PHE 332 N -4.52 0.00 -0.27 2.03 7.35 -0.77 -2.00 117.46 119.28 1br1 n PHE 332 Ca 0.25 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.96 1br1 n PHE 332 Cb 0.85 -0.46 0.09 0.00 0.35 0.00 0.00 39.48 40.30 1br1 n PHE 332 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1br1 h GLN 333 N 0.00 -0.00 -0.64 -4.13 5.75 -0.59 0.88 115.11 116.37 1br1 h GLN 333 Ca 0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 1br1 h GLN 333 Cb 0.00 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.43 1br1 h GLN 333 CO 0.00 -0.00 -0.37 1.49 -2.65 0.00 0.00 178.83 177.30 1br1 h GLU 334 N -0.00 -0.15 -0.11 1.69 4.81 -1.29 3.73 114.58 123.26 1br1 h GLU 334 Ca 0.37 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.43 1br1 h GLU 334 Cb 0.56 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1br1 h GLU 334 CO -0.79 -0.10 -0.69 1.79 -0.73 0.00 0.00 179.01 178.49 1br1 h THR 335 N -0.16 1.36 0.22 0.32 1.35 -0.36 0.15 112.91 115.79 1br1 h THR 335 Ca 0.23 -2.05 -0.01 0.00 -0.55 0.00 0.00 66.41 64.04 1br1 h THR 335 Cb 0.56 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1br1 h THR 335 CO -0.72 0.62 -0.14 -0.07 -0.25 0.00 0.00 175.52 174.96 1br1 h LEU 336 N 0.32 -0.35 -0.65 3.87 -0.00 0.34 0.88 115.31 119.70 1br1 h LEU 336 Ca -0.02 0.02 0.12 0.00 -0.00 0.00 0.00 57.88 58.00 1br1 h LEU 336 Cb 1.26 0.11 -0.09 0.00 -0.00 0.00 0.00 40.66 41.94 1br1 h LEU 336 CO 0.12 -0.23 0.19 -0.33 -0.00 0.00 0.00 178.44 178.19 1br1 h GLU 337 N -0.35 0.31 0.67 1.13 5.08 0.71 -2.19 114.58 119.94 1br1 h GLU 337 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1br1 h GLU 337 Cb 0.30 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1br1 h GLU 337 CO 0.02 0.21 -0.45 0.00 -1.00 0.00 0.00 179.01 177.78 1br1 h ALA 338 N 1.50 -1.22 -0.93 3.43 0.00 -0.13 -2.22 119.26 119.69 1br1 h ALA 338 Ca 0.35 -0.22 0.29 0.00 0.00 0.00 0.00 54.91 55.33 1br1 h ALA 338 Cb 0.52 0.59 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 1br1 h ALA 338 CO -0.40 -1.19 0.15 -1.33 0.00 0.00 0.00 179.25 176.47 1br1 n MET 339 N -5.25 -0.07 0.02 0.00 2.81 0.25 0.26 117.12 115.14 1br1 n MET 339 Ca -0.13 1.37 -0.13 0.00 -1.81 0.00 0.00 57.70 57.01 1br1 n MET 339 Cb 0.45 -2.25 -0.08 0.00 -0.71 0.00 0.00 33.22 30.62 1br1 n MET 339 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1br1 h THR 340 N 0.00 1.17 -0.63 2.03 1.35 -1.20 0.63 112.91 116.26 1br1 h THR 340 Ca 0.63 -0.58 0.12 0.00 -0.55 0.00 0.00 66.41 66.03 1br1 h THR 340 Cb 1.42 1.56 -0.09 0.00 -1.73 0.00 0.00 68.15 69.30 1br1 h THR 340 CO -0.84 0.15 0.12 0.40 -0.25 0.00 0.00 175.52 175.11 1br1 h ILE 341 N -0.28 0.60 0.46 6.82 1.08 0.42 -1.65 117.51 124.95 1br1 h ILE 341 Ca -0.00 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1br1 h ILE 341 Cb 0.27 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1br1 h ILE 341 CO 0.01 0.04 -0.25 0.24 -0.69 0.00 0.00 178.15 177.50 1br1 h MET 342 N 0.24 -0.63 0.00 2.37 2.86 -0.47 -3.45 114.93 115.85 1br1 h MET 342 Ca 0.34 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1br1 h MET 342 Cb 0.52 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1br1 h MET 342 CO -0.44 -0.42 0.00 0.41 1.06 0.00 0.00 176.91 177.52 1br1 n GLY 343 N -1.38 0.35 3.49 8.32 0.00 0.17 -4.96 105.19 111.18 1br1 n GLY 343 Ca -0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.43 1br1 n GLY 343 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1br1 n PHE 344 N 0.00 1.61 -1.30 1.61 3.72 -0.96 -4.87 117.46 117.26 1br1 n PHE 344 Ca 0.00 0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 1br1 n PHE 344 Cb 0.00 -2.57 -0.00 0.00 -0.94 0.00 0.00 39.48 35.96 1br1 n PHE 344 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1br1 n THR 345 N 7.41 0.70 -0.34 4.37 -1.04 -1.26 -4.58 114.28 119.54 1br1 n THR 345 Ca 0.40 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.84 1br1 n THR 345 Cb 0.29 -0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.73 1br1 n THR 345 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1br1 n GLU 346 N 1.31 -0.32 0.09 -2.82 0.00 -1.26 0.36 120.64 117.99 1br1 n GLU 346 Ca 0.11 1.24 -0.12 0.00 0.00 0.00 0.00 57.16 58.40 1br1 n GLU 346 Cb 0.40 -1.83 -0.08 0.00 0.00 0.00 0.00 31.44 29.93 1br1 n GLU 346 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1br1 h GLU 347 N 0.00 0.23 0.00 3.44 -0.00 -2.01 -3.18 114.58 113.06 1br1 h GLU 347 Ca 0.16 -0.31 0.00 0.00 -0.00 0.00 0.00 59.36 59.21 1br1 h GLU 347 Cb 0.37 0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.22 1br1 h GLU 347 CO -0.78 1.08 0.43 -1.91 -0.00 0.00 0.00 179.01 177.83 1br1 n GLU 348 N -3.58 0.05 -0.11 1.06 2.13 0.16 -0.53 120.64 119.81 1br1 n GLU 348 Ca -0.05 0.44 -0.18 0.00 0.66 0.00 0.00 57.16 58.03 1br1 n GLU 348 Cb 0.91 -2.07 -0.06 0.00 0.27 0.00 0.00 31.44 30.49 1br1 n GLU 348 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1br1 n GLN 349 N -1.74 0.55 -0.27 5.31 6.02 -0.75 -3.93 117.38 122.57 1br1 n GLN 349 Ca -0.00 0.26 0.23 0.00 -0.01 0.00 0.00 57.00 57.47 1br1 n GLN 349 Cb 0.44 -1.48 0.42 0.00 1.02 0.00 0.00 30.24 30.64 1br1 n GLN 349 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1br1 n THR 350 N -4.38 -0.35 0.37 5.09 -2.24 0.31 0.10 114.28 113.19 1br1 n THR 350 Ca -0.31 1.74 -0.15 0.00 -2.27 0.00 0.00 64.05 63.06 1br1 n THR 350 Cb 0.66 -2.74 -0.07 0.00 -2.10 0.00 0.00 70.33 66.09 1br1 n THR 350 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1br1 h SER 351 N 0.00 -0.81 0.00 3.42 0.02 -1.57 -1.95 113.55 112.66 1br1 h SER 351 Ca 0.65 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 1br1 h SER 351 Cb 1.63 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.38 1br1 h SER 351 CO -0.69 -0.55 0.30 -0.38 -1.14 0.00 0.00 176.83 174.37 1br1 n ILE 352 N -4.71 0.82 -0.09 3.27 5.41 0.28 -0.27 119.36 124.07 1br1 n ILE 352 Ca -0.12 0.54 -0.23 0.00 1.00 0.00 0.00 62.75 63.93 1br1 n ILE 352 Cb 0.38 -1.54 -0.12 0.00 -0.71 0.00 0.00 39.64 37.65 1br1 n ILE 352 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1br1 n LEU 353 N -1.33 2.16 -0.09 1.39 4.77 -0.57 -3.96 117.00 119.38 1br1 n LEU 353 Ca -0.00 0.30 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1br1 n LEU 353 Cb 0.30 -0.96 0.01 0.00 -2.33 0.00 0.00 43.42 40.44 1br1 n LEU 353 CO 0.01 0.54 0.89 0.08 -1.33 0.00 0.00 177.39 177.57 1br1 h ARG 354 N -0.68 0.15 0.00 3.23 0.11 0.00 0.58 114.38 117.78 1br1 h ARG 354 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1br1 h ARG 354 Cb 1.60 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.64 1br1 h ARG 354 CO -0.19 0.10 0.39 0.28 0.10 0.00 0.00 179.97 180.64 1br1 h VAL 355 N 0.15 0.00 0.00 0.08 2.07 -1.58 0.37 116.25 117.34 1br1 h VAL 355 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1br1 h VAL 355 Cb 0.17 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1br1 h VAL 355 CO -0.21 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.63 1br1 h VAL 356 N 0.00 0.54 -0.79 2.57 2.07 0.02 -2.79 116.25 117.87 1br1 h VAL 356 Ca 0.00 -1.48 0.17 0.00 0.82 0.00 0.00 66.70 66.21 1br1 h VAL 356 Cb 0.78 1.09 -0.11 0.00 -1.52 0.00 0.00 31.29 31.53 1br1 h VAL 356 CO 0.00 0.18 0.28 0.77 0.02 0.00 0.00 177.57 178.82 1br1 h SER 357 N -1.00 0.20 0.03 0.57 4.64 -0.19 0.21 113.55 118.00 1br1 h SER 357 Ca -0.05 0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1br1 h SER 357 Cb 0.55 0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 1br1 h SER 357 CO -0.03 0.03 -0.41 0.77 -0.87 0.00 0.00 176.83 176.32 1br1 h SER 358 N 0.37 -1.24 0.00 4.97 4.64 -0.49 0.59 113.55 122.40 1br1 h SER 358 Ca 0.45 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1br1 h SER 358 Cb 0.76 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1br1 h SER 358 CO -0.47 -0.46 0.03 0.52 -0.87 0.00 0.00 176.83 175.57 1br1 n VAL 359 N -5.45 0.64 -0.07 0.95 0.31 0.67 -1.78 118.33 113.60 1br1 n VAL 359 Ca -0.06 0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 1br1 n VAL 359 Cb 0.37 -1.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.05 1br1 n VAL 359 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1br1 n LEU 360 N -1.12 2.24 -0.07 7.52 4.77 0.17 -4.64 117.00 125.87 1br1 n LEU 360 Ca 0.00 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 1br1 n LEU 360 Cb 0.03 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1br1 n LEU 360 CO 0.00 0.58 0.89 -0.61 -1.33 0.00 0.00 177.39 176.91 1br1 h GLN 361 N -0.22 0.14 0.00 3.23 5.75 0.31 0.34 115.11 124.66 1br1 h GLN 361 Ca -0.35 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 1br1 h GLN 361 Cb 1.44 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.96 1br1 h GLN 361 CO -0.12 0.09 0.14 -0.11 -2.65 0.00 0.00 178.83 176.18 1br1 n LEU 362 N -5.10 0.00 0.01 -2.39 0.00 -0.86 0.25 117.00 108.90 1br1 n LEU 362 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 56.01 56.13 1br1 n LEU 362 Cb 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 43.42 43.33 1br1 n LEU 362 CO 0.26 -0.10 -0.52 0.61 0.00 0.00 0.00 177.39 177.64 1br1 n GLY 363 N -0.95 -1.15 0.23 -3.96 0.00 0.11 -4.19 105.19 95.28 1br1 n GLY 363 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1br1 n GLY 363 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1br1 h ASN 364 N 0.00 0.91 -0.88 1.61 2.35 0.31 -3.43 115.58 116.45 1br1 h ASN 364 Ca -0.17 -0.53 -0.74 0.00 -0.55 0.00 0.00 56.30 54.30 1br1 h ASN 364 Cb 1.48 -0.27 0.02 0.00 0.05 0.00 0.00 38.32 39.61 1br1 h ASN 364 CO 0.03 1.32 0.36 -0.38 -1.65 0.00 0.00 177.43 177.11 1br1 n ILE 365 N -3.97 0.00 -4.30 2.81 5.41 -1.21 -4.94 119.36 113.16 1br1 n ILE 365 Ca -0.05 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.46 1br1 n ILE 365 Cb 0.67 -0.24 -0.08 0.00 -0.71 0.00 0.00 39.64 39.28 1br1 n ILE 365 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1br1 s VAL 366 N 1.46 3.35 -0.37 1.39 1.01 -1.26 -5.08 120.40 120.90 1br1 s VAL 366 Ca 0.87 -1.88 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1br1 s VAL 366 Cb -1.23 -2.76 0.15 0.00 0.00 0.00 0.00 36.38 32.54 1br1 s VAL 366 CO 0.63 -0.32 0.37 -0.36 0.00 0.00 0.00 175.10 175.42 1br1 s PHE 367 N -2.20 -0.31 -0.07 5.22 0.08 -1.26 -4.55 117.98 114.89 1br1 s PHE 367 Ca 0.30 -0.79 -0.23 0.00 0.12 0.00 0.00 56.93 56.33 1br1 s PHE 367 Cb -0.07 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1br1 s PHE 367 CO 0.19 -0.97 0.69 0.21 -0.10 0.00 0.00 175.22 175.24 1br1 s LYS 368 N 1.49 4.43 0.92 0.44 2.20 -1.25 -4.79 119.74 123.17 1br1 s LYS 368 Ca 0.16 0.87 -0.16 0.00 -0.36 0.00 0.00 55.97 56.48 1br1 s LYS 368 Cb -0.15 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.63 1br1 s LYS 368 CO -0.05 0.06 -0.30 1.17 -0.36 0.00 0.00 175.35 175.86 1br1 n LYS 369 N 3.82 -0.05 -3.72 4.03 3.00 -1.26 -3.03 118.16 120.94 1br1 n LYS 369 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.00 1br1 n LYS 369 Cb 0.51 -1.31 -0.14 0.00 0.00 0.00 0.00 35.03 34.09 1br1 n LYS 369 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1br1 s GLU 370 N -2.42 0.84 0.00 1.64 -6.30 -1.26 -4.73 118.70 106.47 1br1 s GLU 370 Ca 0.48 -1.30 0.07 0.00 -2.50 0.00 0.00 54.97 51.72 1br1 s GLU 370 Cb -0.23 -2.05 0.40 0.00 0.00 0.00 0.00 34.13 32.25 1br1 s GLU 370 CO 0.75 -1.04 0.86 0.54 0.02 0.00 0.00 175.26 176.40 1br1 n ARG 371 N 4.51 0.21 -0.08 4.30 1.74 -1.26 0.39 116.66 126.48 1br1 n ARG 371 Ca 0.01 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.02 1br1 n ARG 371 Cb 0.40 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1br1 n ARG 371 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1br1 n ASN 372 N -1.00 1.83 -0.10 0.55 3.02 -1.26 -4.68 115.26 113.62 1br1 n ASN 372 Ca 0.05 0.57 -0.11 0.00 -0.03 0.00 0.00 54.58 55.06 1br1 n ASN 372 Cb 0.02 -0.86 -0.15 0.00 -0.61 0.00 0.00 39.78 38.18 1br1 n ASN 372 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1br1 n THR 373 N -4.57 1.40 -1.79 3.41 -2.24 -1.07 -5.02 114.28 104.41 1br1 n THR 373 Ca -0.12 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1br1 n THR 373 Cb 0.35 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1br1 n THR 373 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1br1 n ASP 374 N -2.82 -1.25 -3.63 3.42 8.00 1.29 -5.02 116.55 116.55 1br1 n ASP 374 Ca -0.35 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.87 1br1 n ASP 374 Cb 1.14 -0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 41.64 1br1 n ASP 374 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1br1 s GLN 375 N -3.60 1.24 0.35 -1.24 1.11 -1.25 -4.60 119.66 111.66 1br1 s GLN 375 Ca 0.00 -2.09 -0.14 0.00 0.01 0.00 0.00 55.36 53.13 1br1 s GLN 375 Cb 0.00 -2.11 -0.11 0.00 -1.01 0.00 0.00 33.01 29.77 1br1 s GLN 375 CO 0.00 -1.23 -0.04 0.00 0.01 0.00 0.00 175.29 174.03 1br1 n ALA 376 N 3.27 -2.63 -3.62 6.09 0.00 -1.26 -4.66 120.51 117.69 1br1 n ALA 376 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1br1 n ALA 376 Cb 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1br1 n ALA 376 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1br1 n SER 377 N 1.82 1.47 -4.03 0.00 2.88 -1.17 -4.69 113.62 109.90 1br1 n SER 377 Ca 0.07 -0.85 -0.41 0.00 -1.33 0.00 0.00 58.87 56.35 1br1 n SER 377 Cb 0.33 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 1br1 n SER 377 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1br1 n MET 378 N 0.00 3.77 0.22 -1.46 1.56 -1.26 -3.78 117.12 116.16 1br1 n MET 378 Ca 0.00 -4.54 0.15 0.00 -0.27 0.00 0.00 57.70 53.04 1br1 n MET 378 Cb 0.00 -2.48 0.79 0.00 2.15 0.00 0.00 33.22 33.69 1br1 n MET 378 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1br1 h PRO 379 N 5.65 0.00 -4.05 2.12 0.11 -1.96 -3.41 132.00 130.47 1br1 h PRO 379 Ca 0.19 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.88 1br1 h PRO 379 Cb 0.71 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.48 1br1 h PRO 379 CO 1.13 0.00 -0.78 0.34 -0.21 0.00 0.00 178.00 178.49 1br1 s ASP 380 N -4.48 1.11 -0.10 -2.05 2.15 -1.26 -5.06 116.67 106.98 1br1 s ASP 380 Ca -0.03 -0.15 -0.06 0.00 0.43 0.00 0.00 52.55 52.74 1br1 s ASP 380 Cb 0.09 -0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.16 1br1 s ASP 380 CO 0.30 -0.06 0.21 0.78 -0.17 0.00 0.00 175.17 176.22 1br1 h ASN 381 N 7.28 -0.05 -0.12 -0.34 2.35 -2.01 -3.38 115.58 119.31 1br1 h ASN 381 Ca -0.35 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.25 1br1 h ASN 381 Cb 1.15 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 1br1 h ASN 381 CO 0.45 0.52 -0.06 0.35 -1.65 0.00 0.00 177.43 177.04 1br1 n THR 382 N -4.79 -0.07 0.00 2.81 -2.24 -1.26 0.66 114.28 109.38 1br1 n THR 382 Ca -0.02 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1br1 n THR 382 Cb 0.10 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1br1 n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1br1 n ALA 383 N -3.92 0.00 0.22 6.98 0.00 -1.26 0.04 120.51 122.58 1br1 n ALA 383 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.63 1br1 n ALA 383 Cb 0.04 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.33 1br1 n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1br1 h ALA 384 N -2.92 1.68 0.02 0.00 0.00 -1.72 0.82 119.26 117.14 1br1 h ALA 384 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1br1 h ALA 384 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1br1 h ALA 384 CO 0.00 -0.38 -0.35 0.37 0.00 0.00 0.00 179.25 178.89 1br1 h GLN 385 N 0.00 -0.49 0.42 0.00 4.15 0.11 0.39 115.11 119.69 1br1 h GLN 385 Ca 0.08 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1br1 h GLN 385 Cb 0.66 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1br1 h GLN 385 CO -0.00 -0.33 -0.20 0.87 -1.93 0.00 0.00 178.83 177.24 1br1 h LYS 386 N -0.51 -0.54 -0.73 1.69 1.57 0.21 -3.24 116.57 115.02 1br1 h LYS 386 Ca 0.05 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.00 1br1 h LYS 386 Cb 0.59 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.89 1br1 h LYS 386 CO -0.27 -0.36 -0.22 0.28 -0.57 0.00 0.00 179.45 178.31 1br1 n VAL 387 N -3.70 -0.34 0.28 0.50 0.31 -0.94 0.18 118.33 114.63 1br1 n VAL 387 Ca -0.07 1.68 0.16 0.00 -0.01 0.00 0.00 64.34 66.11 1br1 n VAL 387 Cb 0.22 -2.29 0.80 0.00 -0.91 0.00 0.00 33.84 31.66 1br1 n VAL 387 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1br1 h HIS 389 N 0.00 0.43 0.00 0.00 6.17 0.18 -2.46 115.15 119.46 1br1 h HIS 389 Ca 0.00 -0.28 -0.04 0.00 0.71 0.00 0.00 60.37 60.76 1br1 h HIS 389 Cb 0.16 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 1br1 h HIS 389 CO 0.00 1.17 -0.20 -0.07 0.71 0.00 0.00 177.93 179.54 1br1 h LEU 390 N -0.44 0.00 -0.05 0.26 3.38 -1.17 -2.23 115.31 115.06 1br1 h LEU 390 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1br1 h LEU 390 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1br1 h LEU 390 CO 0.11 0.20 -0.11 0.23 0.09 0.00 0.00 178.44 178.95 1br1 n MET 391 N -3.81 0.22 -1.45 1.13 2.81 -0.83 -4.87 117.12 110.32 1br1 n MET 391 Ca -0.02 -0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.69 1br1 n MET 391 Cb 0.30 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.25 1br1 n MET 391 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1br1 n GLY 392 N 1.42 1.28 0.00 3.03 0.00 -0.84 -4.45 105.19 105.63 1br1 n GLY 392 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1br1 n GLY 392 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1br1 n ILE 393 N -2.72 0.00 -4.36 -0.61 -5.35 -0.94 -0.25 119.36 105.13 1br1 n ILE 393 Ca -0.13 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.15 1br1 n ILE 393 Cb 0.45 -0.30 -0.13 0.00 -1.74 0.00 0.00 39.64 37.92 1br1 n ILE 393 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1br1 s ASN 394 N 0.01 1.61 0.00 7.28 3.84 -1.26 -4.69 114.94 121.74 1br1 s ASN 394 Ca 0.00 -0.43 0.00 0.00 0.21 0.00 0.00 52.86 52.64 1br1 s ASN 394 Cb 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 41.25 40.59 1br1 s ASN 394 CO 0.00 0.04 0.00 1.33 -2.79 0.00 0.00 177.10 175.68 1br1 n VAL 395 N 1.98 0.00 -0.09 -5.21 0.24 -1.26 -0.95 118.33 113.04 1br1 n VAL 395 Ca -0.18 0.36 -0.01 0.00 -2.04 0.00 0.00 64.34 62.47 1br1 n VAL 395 Cb 0.55 -1.21 -0.01 0.00 -1.47 0.00 0.00 33.84 31.70 1br1 n VAL 395 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1br1 n THR 396 N 0.00 -0.14 0.11 3.34 -2.24 -1.26 0.17 114.28 114.27 1br1 n THR 396 Ca 0.00 0.55 -0.07 0.00 -2.27 0.00 0.00 64.05 62.26 1br1 n THR 396 Cb 0.00 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 1br1 n THR 396 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1br1 h ASP 397 N 0.00 -0.49 -0.84 3.42 3.32 -2.00 -0.45 116.42 119.38 1br1 h ASP 397 Ca 0.06 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.22 1br1 h ASP 397 Cb 0.12 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 39.72 1br1 h ASP 397 CO -0.22 -0.24 -0.50 0.33 -1.72 0.00 0.00 179.24 176.89 1br1 n PHE 398 N -3.40 -0.37 -0.15 4.55 7.35 0.46 -1.08 117.46 124.82 1br1 n PHE 398 Ca -0.04 1.05 -0.09 0.00 -0.76 0.00 0.00 57.45 57.61 1br1 n PHE 398 Cb 0.17 -0.56 -0.07 0.00 0.35 0.00 0.00 39.48 39.36 1br1 n PHE 398 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1br1 h THR 399 N 0.00 0.00 -0.06 -2.13 2.02 -0.11 1.10 112.91 113.72 1br1 h THR 399 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1br1 h THR 399 Cb 0.34 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1br1 h THR 399 CO -0.79 0.00 -0.32 -0.09 0.37 0.00 0.00 175.52 174.69 1br1 h ARG 400 N -0.20 -0.34 -0.94 6.66 2.43 -0.01 0.56 114.38 122.53 1br1 h ARG 400 Ca 0.07 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.55 1br1 h ARG 400 Cb 0.38 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 29.85 1br1 h ARG 400 CO -0.47 -0.23 0.34 0.77 -1.51 0.00 0.00 179.97 178.86 1br1 h SER 401 N -0.36 0.11 0.66 -3.80 0.02 -0.35 2.79 113.55 112.62 1br1 h SER 401 Ca 0.02 0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 1br1 h SER 401 Cb 0.41 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1br1 h SER 401 CO -0.25 -0.21 -0.61 0.40 -1.14 0.00 0.00 176.83 175.02 1br1 h ILE 402 N 0.19 1.40 0.00 3.27 5.03 0.30 -3.35 117.51 124.34 1br1 h ILE 402 Ca 0.65 -2.11 -0.36 0.00 -0.12 0.00 0.00 64.86 62.91 1br1 h ILE 402 Cb 1.43 2.15 -0.05 0.00 -3.03 0.00 0.00 36.82 37.31 1br1 h ILE 402 CO -0.70 0.60 -2.18 0.18 -0.68 0.00 0.00 178.15 175.37 1br1 n LEU 403 N -3.76 1.69 -4.12 1.44 4.77 0.18 -4.70 117.00 112.50 1br1 n LEU 403 Ca -0.01 0.29 -0.37 0.00 -0.03 0.00 0.00 56.01 55.89 1br1 n LEU 403 Cb 0.62 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 1br1 n LEU 403 CO 0.42 0.41 -0.01 0.42 -1.33 0.00 0.00 177.39 177.30 1br1 s THR 404 N -2.47 3.71 -0.54 -5.08 -4.23 0.88 -2.53 115.64 105.38 1br1 s THR 404 Ca -0.32 -2.58 -0.26 0.00 -1.18 0.00 0.00 61.69 57.34 1br1 s THR 404 Cb 0.12 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1br1 s THR 404 CO 0.41 -0.82 2.05 -2.16 -0.54 0.00 0.00 174.62 173.56 1br1 s PRO 405 N 0.42 2.50 0.00 3.99 0.04 -0.16 -3.91 135.00 137.88 1br1 s PRO 405 Ca 0.13 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 1br1 s PRO 405 Cb -0.21 -4.44 -0.04 0.00 0.04 0.00 0.00 34.50 29.85 1br1 s PRO 405 CO -0.04 -2.85 1.54 0.54 0.04 0.00 0.00 177.00 176.23 1br1 n ARG 406 N 9.07 0.77 -0.28 4.56 5.12 -1.26 -2.30 116.66 132.34 1br1 n ARG 406 Ca 0.26 -0.15 -0.20 0.00 -1.93 0.00 0.00 57.85 55.83 1br1 n ARG 406 Cb 0.53 -1.34 0.19 0.00 -1.16 0.00 0.00 32.46 30.67 1br1 n ARG 406 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1br1 n ILE 407 N 1.93 0.00 -2.98 0.55 -6.64 -1.25 -4.85 119.36 106.13 1br1 n ILE 407 Ca 0.07 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.91 1br1 n ILE 407 Cb 0.38 -0.64 -0.02 0.00 -1.44 0.00 0.00 39.64 37.92 1br1 n ILE 407 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1br1 n LYS 408 N -3.50 0.50 -2.26 6.28 4.81 -1.26 -3.53 118.16 119.20 1br1 n LYS 408 Ca 0.09 -2.42 -0.36 0.00 -0.87 0.00 0.00 58.31 54.75 1br1 n LYS 408 Cb 0.39 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.94 1br1 n LYS 408 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1br1 s VAL 409 N 0.40 3.14 0.00 3.15 1.01 -0.01 -4.75 120.40 123.34 1br1 s VAL 409 Ca 0.32 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1br1 s VAL 409 Cb 0.07 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1br1 s VAL 409 CO -0.13 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1br1 n GLY 410 N 0.24 0.94 1.80 4.51 0.00 -1.26 0.16 105.19 111.59 1br1 n GLY 410 Ca 0.10 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1br1 n GLY 410 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1br1 n ARG 411 N 5.58 1.79 -3.80 1.61 1.85 -1.26 -4.87 116.66 117.56 1br1 n ARG 411 Ca 0.00 -1.71 -0.13 0.00 -1.00 0.00 0.00 57.85 55.02 1br1 n ARG 411 Cb 0.00 -1.67 -0.10 0.00 -1.05 0.00 0.00 32.46 29.64 1br1 n ARG 411 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1br1 s ASP 412 N -0.17 -0.19 -0.84 2.89 -4.77 0.12 -5.04 116.67 108.68 1br1 s ASP 412 Ca 0.33 0.27 -0.04 0.00 -3.30 0.00 0.00 52.55 49.80 1br1 s ASP 412 Cb 0.27 0.41 0.11 0.00 -1.09 0.00 0.00 42.92 42.62 1br1 s ASP 412 CO 0.03 -0.24 2.54 0.52 0.70 0.00 0.00 175.17 178.72 1br1 n VAL 413 N 2.22 4.24 -1.46 2.11 0.31 -1.26 -0.83 118.33 123.66 1br1 n VAL 413 Ca -0.17 -3.74 -0.14 0.00 -0.01 0.00 0.00 64.34 60.28 1br1 n VAL 413 Cb 0.57 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.62 1br1 n VAL 413 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1br1 n VAL 414 N 1.09 0.00 -2.77 2.52 0.31 -1.23 -4.78 118.33 113.46 1br1 n VAL 414 Ca 0.54 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 64.03 1br1 n VAL 414 Cb 0.40 -0.97 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 1br1 n VAL 414 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1br1 s GLN 415 N 7.59 4.42 0.29 5.55 2.00 -1.26 -3.77 119.66 134.47 1br1 s GLN 415 Ca 0.91 1.26 -0.03 0.00 -2.00 0.00 0.00 55.36 55.50 1br1 s GLN 415 Cb -0.36 -3.53 -0.01 0.00 0.80 0.00 0.00 33.01 29.91 1br1 s GLN 415 CO 0.26 -0.24 0.37 -1.59 -0.50 0.00 0.00 175.29 173.58 1br1 s LYS 416 N 1.79 1.64 -0.06 1.67 -2.85 -0.97 -4.99 119.74 115.96 1br1 s LYS 416 Ca 0.46 -1.65 0.01 0.00 -1.00 0.00 0.00 55.97 53.79 1br1 s LYS 416 Cb -0.18 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.00 1br1 s LYS 416 CO 0.18 -0.64 -0.04 0.00 0.10 0.00 0.00 175.35 174.94 1br1 s ALA 417 N -3.59 0.78 0.95 0.59 0.00 -1.26 -0.99 121.76 118.24 1br1 s ALA 417 Ca 0.32 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1br1 s ALA 417 Cb 0.02 -0.54 0.17 0.00 0.00 0.00 0.00 23.12 22.77 1br1 s ALA 417 CO 0.17 -0.13 1.23 -0.65 0.00 0.00 0.00 175.76 176.38 1br1 s GLN 418 N 1.18 0.76 0.00 0.00 -0.21 -1.05 -4.99 119.66 115.35 1br1 s GLN 418 Ca -0.07 -0.13 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 1br1 s GLN 418 Cb -0.14 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1br1 s GLN 418 CO -0.01 -2.38 0.16 0.95 -2.12 0.00 0.00 175.29 171.89 1br1 s THR 419 N -3.60 5.26 0.00 -0.19 -4.23 -1.26 -4.63 115.64 106.99 1br1 s THR 419 Ca 0.69 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1br1 s THR 419 Cb -0.08 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1br1 s THR 419 CO 0.53 0.31 0.00 1.17 -0.54 0.00 0.00 174.62 176.08 1br1 n LYS 420 N 0.91 0.00 -0.00 3.99 0.00 -1.26 0.15 118.16 121.95 1br1 n LYS 420 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.17 1br1 n LYS 420 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.53 1br1 n LYS 420 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1br1 h GLU 421 N 0.00 -0.12 -1.17 1.64 3.07 -1.94 -0.59 114.58 115.48 1br1 h GLU 421 Ca 0.00 0.01 0.33 0.00 -0.50 0.00 0.00 59.36 59.20 1br1 h GLU 421 Cb 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.87 1br1 h GLU 421 CO 0.00 -0.08 0.80 1.96 -1.40 0.00 0.00 179.01 180.29 1br1 h GLN 422 N -0.12 0.14 0.00 2.33 4.20 0.10 1.42 115.11 123.18 1br1 h GLN 422 Ca 0.01 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1br1 h GLN 422 Cb 0.14 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1br1 h GLN 422 CO -0.09 0.09 -0.02 0.00 -0.67 0.00 0.00 178.83 178.14 1br1 h ALA 423 N 1.49 1.29 0.00 3.87 0.00 0.55 -2.81 119.26 123.65 1br1 h ALA 423 Ca 0.61 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 55.16 1br1 h ALA 423 Cb 2.06 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.80 1br1 h ALA 423 CO -0.14 0.03 -2.13 -0.25 0.00 0.00 0.00 179.25 176.76 1br1 n ASP 424 N -3.53 1.49 0.32 0.00 9.92 0.46 -3.56 116.55 121.66 1br1 n ASP 424 Ca -0.03 0.22 0.05 0.00 -0.53 0.00 0.00 54.79 54.51 1br1 n ASP 424 Cb 0.12 -0.58 0.29 0.00 -0.64 0.00 0.00 41.12 40.31 1br1 n ASP 424 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1br1 h PHE 425 N -0.68 0.00 0.00 1.24 3.04 -0.80 1.41 116.94 121.14 1br1 h PHE 425 Ca -0.51 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.44 1br1 h PHE 425 Cb 1.46 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.97 1br1 h PHE 425 CO -0.06 0.00 -0.55 0.00 -2.02 0.00 0.00 178.31 175.68 1br1 n ALA 426 N -1.63 0.49 0.25 2.41 0.00 -1.06 -2.33 120.51 118.64 1br1 n ALA 426 Ca -0.01 -0.49 0.16 0.00 0.00 0.00 0.00 53.44 53.11 1br1 n ALA 426 Cb 0.76 0.02 0.74 0.00 0.00 0.00 0.00 19.45 20.97 1br1 n ALA 426 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1br1 h ILE 427 N -0.81 0.11 0.00 0.00 6.09 -0.82 0.42 117.51 122.50 1br1 h ILE 427 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1br1 h ILE 427 Cb 0.55 0.61 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1br1 h ILE 427 CO 0.00 0.00 -0.10 -0.08 -3.07 0.00 0.00 178.15 174.90 1br1 h GLU 428 N 0.00 0.00 0.00 2.19 4.22 0.16 -3.18 114.58 117.97 1br1 h GLU 428 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1br1 h GLU 428 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1br1 h GLU 428 CO -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.83 1br1 n ALA 429 N -2.58 1.70 -0.09 2.92 0.00 -0.78 -1.16 120.51 120.53 1br1 n ALA 429 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1br1 n ALA 429 Cb 0.05 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1br1 n ALA 429 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1br1 n LEU 430 N -0.61 1.90 0.03 0.00 7.94 0.14 -3.75 117.00 122.65 1br1 n LEU 430 Ca 0.01 0.43 -0.10 0.00 -1.11 0.00 0.00 56.01 55.24 1br1 n LEU 430 Cb 0.00 -0.79 -0.04 0.00 0.53 0.00 0.00 43.42 43.13 1br1 n LEU 430 CO 0.01 -0.31 0.78 0.00 -1.11 0.00 0.00 177.39 176.76 1br1 h ALA 431 N -0.99 -0.10 -1.12 1.96 0.00 -1.35 0.41 119.26 118.07 1br1 h ALA 431 Ca -0.02 0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.27 1br1 h ALA 431 Cb 0.86 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 1br1 h ALA 431 CO -0.01 -0.60 0.69 -0.22 0.00 0.00 0.00 179.25 179.10 1br1 h LYS 432 N -0.19 0.23 0.00 0.00 3.64 -1.36 0.45 116.57 119.34 1br1 h LYS 432 Ca 0.06 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1br1 h LYS 432 Cb 0.27 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1br1 h LYS 432 CO -0.16 0.15 -1.43 0.00 -2.27 0.00 0.00 179.45 175.74 1br1 n ALA 433 N -2.40 2.34 0.22 5.00 0.00 -0.59 -3.52 120.51 121.56 1br1 n ALA 433 Ca 0.33 -0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.38 1br1 n ALA 433 Cb 1.14 -0.93 0.50 0.00 0.00 0.00 0.00 19.45 20.15 1br1 n ALA 433 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1br1 h LYS 434 N 0.00 0.00 0.53 0.00 3.64 0.42 -2.34 116.57 118.82 1br1 h LYS 434 Ca -0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1br1 h LYS 434 Cb 1.25 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1br1 h LYS 434 CO 0.02 0.26 -0.26 0.35 -2.27 0.00 0.00 179.45 177.55 1br1 h PHE 435 N 0.00 -0.66 -1.15 1.91 3.57 -0.89 -3.11 116.94 116.60 1br1 h PHE 435 Ca -0.00 -0.02 0.33 0.00 3.53 0.00 0.00 57.97 61.81 1br1 h PHE 435 Cb 0.52 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 1br1 h PHE 435 CO 0.00 -0.41 0.79 1.49 -2.23 0.00 0.00 178.31 177.95 1br1 h GLU 436 N -0.99 0.16 0.00 1.11 4.81 -1.58 2.86 114.58 120.95 1br1 h GLU 436 Ca -0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1br1 h GLU 436 Cb 0.55 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1br1 h GLU 436 CO 0.12 0.10 -0.02 0.00 -0.73 0.00 0.00 179.01 178.49 1br1 h ARG 437 N 0.16 0.00 0.00 1.92 2.47 -1.35 -2.17 114.38 115.41 1br1 h ARG 437 Ca 0.60 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.28 1br1 h ARG 437 Cb 2.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.34 1br1 h ARG 437 CO -0.15 0.02 -0.38 1.25 0.56 0.00 0.00 179.97 181.26 1br1 h LEU 438 N 0.00 0.00 -0.18 3.04 5.85 0.51 -3.19 115.31 121.34 1br1 h LEU 438 Ca -0.00 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1br1 h LEU 438 Cb 0.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1br1 h LEU 438 CO 0.00 0.85 -0.23 0.15 -0.34 0.00 0.00 178.44 178.87 1br1 h PHE 439 N -1.00 -0.71 -0.87 1.25 3.57 -1.28 0.55 116.94 118.46 1br1 h PHE 439 Ca -0.06 0.04 0.25 0.00 3.53 0.00 0.00 57.97 61.72 1br1 h PHE 439 Cb 0.58 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1br1 h PHE 439 CO 0.00 -0.20 0.84 0.00 -2.23 0.00 0.00 178.31 176.72 1br1 h ARG 440 N -0.15 0.00 0.11 1.11 2.47 -1.59 -0.41 114.38 115.92 1br1 h ARG 440 Ca 0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1br1 h ARG 440 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1br1 h ARG 440 CO -0.25 0.00 -0.05 2.35 0.56 0.00 0.00 179.97 182.58 1br1 h TRP 441 N 0.00 -0.13 -0.03 3.04 7.01 0.03 -3.19 115.95 122.68 1br1 h TRP 441 Ca 0.41 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.44 1br1 h TRP 441 Cb 2.08 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 29.13 1br1 h TRP 441 CO 0.00 0.27 -0.37 0.82 -2.79 0.00 0.00 178.44 176.36 1br1 h ILE 442 N -0.96 0.22 -0.87 2.65 1.08 0.10 -0.50 117.51 119.22 1br1 h ILE 442 Ca -0.01 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.71 1br1 h ILE 442 Cb 0.46 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1br1 h ILE 442 CO 0.02 0.00 0.99 0.25 -0.69 0.00 0.00 178.15 178.72 1br1 h LEU 443 N -0.51 0.00 -0.40 1.44 6.46 -1.24 2.77 115.31 123.83 1br1 h LEU 443 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1br1 h LEU 443 Cb 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1br1 h LEU 443 CO -0.31 0.00 -0.78 0.35 -0.62 0.00 0.00 178.44 177.08 1br1 n THR 444 N -3.41 0.00 0.03 1.05 -2.24 -0.27 -2.24 114.28 107.19 1br1 n THR 444 Ca 0.19 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.64 1br1 n THR 444 Cb 1.26 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 70.45 1br1 n THR 444 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1br1 h ARG 445 N 0.96 0.30 0.84 -0.78 2.47 0.54 -2.99 114.38 115.72 1br1 h ARG 445 Ca 0.00 -0.52 -0.04 0.00 -1.26 0.00 0.00 59.98 58.16 1br1 h ARG 445 Cb 0.59 0.19 0.01 0.00 -1.65 0.00 0.00 29.97 29.11 1br1 h ARG 445 CO 0.00 1.25 -0.40 0.28 0.56 0.00 0.00 179.97 181.66 1br1 h VAL 446 N -0.08 0.04 0.00 2.04 2.07 -0.26 -2.52 116.25 117.55 1br1 h VAL 446 Ca -0.35 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1br1 h VAL 446 Cb 1.95 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1br1 h VAL 446 CO 0.10 0.00 0.04 0.59 0.02 0.00 0.00 177.57 178.33 1br1 n ASN 447 N -5.53 0.00 0.10 0.57 3.02 -0.95 -1.19 115.26 111.28 1br1 n ASN 447 Ca -0.14 0.24 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 1br1 n ASN 447 Cb 0.45 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 1br1 n ASN 447 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1br1 h LYS 448 N 0.00 0.00 0.01 3.52 1.63 -1.29 -3.27 116.57 117.17 1br1 h LYS 448 Ca 0.00 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.40 1br1 h LYS 448 Cb 0.08 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.65 1br1 h LYS 448 CO 0.00 0.31 -2.22 0.00 -3.45 0.00 0.00 179.45 174.09 1br1 n ALA 449 N -2.28 1.13 0.00 5.00 0.00 -0.33 -4.11 120.51 119.92 1br1 n ALA 449 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1br1 n ALA 449 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1br1 n ALA 449 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1br1 n LEU 450 N -4.05 0.00 -3.91 0.00 4.77 -1.05 -4.93 117.00 107.82 1br1 n LEU 450 Ca -0.47 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 1br1 n LEU 450 Cb 0.88 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.58 1br1 n LEU 450 CO 0.14 -0.27 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.00 1br1 s ASP 451 N -2.48 0.09 0.21 -1.43 -1.08 -1.23 0.24 116.67 110.98 1br1 s ASP 451 Ca 0.00 -0.22 0.12 0.00 -0.52 0.00 0.00 52.55 51.92 1br1 s ASP 451 Cb 0.00 0.12 0.63 0.00 -1.46 0.00 0.00 42.92 42.21 1br1 s ASP 451 CO 0.00 -0.21 1.30 0.00 0.52 0.00 0.00 175.17 176.78 1br1 n ALA 458 N 2.10 0.85 -2.51 3.66 0.00 -1.20 -4.95 120.51 118.47 1br1 n ALA 458 Ca -0.19 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 1br1 n ALA 458 Cb 0.57 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 1br1 n ALA 458 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1br1 s SER 459 N -3.44 1.47 -0.05 0.00 1.04 -0.92 -4.98 113.70 106.81 1br1 s SER 459 Ca -0.01 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 1br1 s SER 459 Cb 0.03 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1br1 s SER 459 CO 0.11 -0.24 0.16 0.72 0.98 0.00 0.00 173.24 174.96 1br1 s PHE 460 N -2.33 -0.16 -0.13 5.02 -0.12 -1.25 0.21 117.98 119.22 1br1 s PHE 460 Ca 0.05 0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 57.28 1br1 s PHE 460 Cb -0.04 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.38 1br1 s PHE 460 CO 0.00 -0.11 -0.05 -1.17 -0.05 0.00 0.00 175.22 173.84 1br1 s LEU 461 N -0.08 3.20 -0.20 -1.99 2.96 0.63 -3.20 118.68 119.99 1br1 s LEU 461 Ca -0.02 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1br1 s LEU 461 Cb -0.02 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1br1 s LEU 461 CO 0.00 0.23 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.43 1br1 s GLY 462 N -0.00 1.70 -0.24 7.98 0.00 0.19 -1.30 107.32 115.65 1br1 s GLY 462 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1br1 s GLY 462 CO 0.03 0.26 -0.09 -0.42 0.00 0.00 0.00 173.10 172.88 1br1 s ILE 463 N 1.06 2.66 -0.29 0.90 1.01 -0.68 0.20 121.20 126.05 1br1 s ILE 463 Ca 0.02 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 1br1 s ILE 463 Cb -0.14 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 1br1 s ILE 463 CO 0.01 0.21 0.10 -0.22 0.00 0.00 0.00 174.94 175.04 1br1 s LEU 464 N 1.29 3.82 -0.68 2.97 2.96 -0.49 -1.64 118.68 126.90 1br1 s LEU 464 Ca -0.01 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 1br1 s LEU 464 Cb -0.17 -1.92 0.17 0.00 0.50 0.00 0.00 46.19 44.77 1br1 s LEU 464 CO -0.06 -0.16 0.50 -0.62 -1.32 0.00 0.00 176.35 174.70 1br1 s ASP 465 N 1.56 5.24 0.52 3.68 2.15 0.87 -2.63 116.67 128.06 1br1 s ASP 465 Ca 0.04 -3.19 -0.03 0.00 0.43 0.00 0.00 52.55 49.80 1br1 s ASP 465 Cb -0.17 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 1br1 s ASP 465 CO 0.04 -0.28 0.80 0.27 -0.17 0.00 0.00 175.17 175.82 1br1 s ILE 466 N -0.55 3.86 0.26 4.11 -5.25 -1.26 0.64 121.20 123.02 1br1 s ILE 466 Ca 0.20 -0.20 -0.29 0.00 -0.99 0.00 0.00 60.65 59.37 1br1 s ILE 466 Cb -0.16 -3.48 -0.09 0.00 2.95 0.00 0.00 42.46 41.67 1br1 s ILE 466 CO -0.06 -0.43 0.96 0.00 -1.79 0.00 0.00 174.94 173.62 1br1 s ALA 467 N -2.79 3.32 0.33 2.27 0.00 -1.26 -4.87 121.76 118.77 1br1 s ALA 467 Ca 0.51 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1br1 s ALA 467 Cb -0.10 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1br1 s ALA 467 CO 0.42 0.14 0.81 0.20 0.00 0.00 0.00 175.76 177.33 1br1 s GLY 468 N -1.22 2.44 -0.42 0.00 0.00 -1.26 -4.76 107.32 102.10 1br1 s GLY 468 Ca 0.43 0.21 -0.38 0.00 0.00 0.00 0.00 44.72 44.98 1br1 s GLY 468 CO 0.32 0.48 1.55 0.33 0.00 0.00 0.00 173.10 175.78 1br1 n PHE 469 N -0.16 1.23 -4.40 1.90 -0.00 -1.26 -4.14 117.46 110.63 1br1 n PHE 469 Ca 0.03 0.81 -0.19 0.00 -0.00 0.00 0.00 57.45 58.10 1br1 n PHE 469 Cb 0.53 -1.89 -0.15 0.00 -0.00 0.00 0.00 39.48 37.97 1br1 n PHE 469 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1br1 s GLU 470 N 3.71 0.81 -0.37 -4.13 -1.05 -1.26 -1.99 118.70 114.42 1br1 s GLU 470 Ca 0.94 -0.34 0.04 0.00 -0.15 0.00 0.00 54.97 55.46 1br1 s GLU 470 Cb -1.25 -0.78 0.16 0.00 -0.44 0.00 0.00 34.13 31.82 1br1 s GLU 470 CO 0.62 0.19 0.45 0.96 0.95 0.00 0.00 175.26 178.44 1br1 s ILE 471 N -0.17 -0.57 0.00 1.83 -4.36 -1.26 -4.80 121.20 111.87 1br1 s ILE 471 Ca 0.03 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.81 1br1 s ILE 471 Cb -0.04 -0.54 0.00 0.00 1.25 0.00 0.00 42.46 43.12 1br1 s ILE 471 CO -0.00 -0.37 0.00 0.49 0.24 0.00 0.00 174.94 175.29 1br1 n PHE 472 N 4.47 0.00 -0.03 1.37 3.72 -1.26 -5.05 117.46 120.68 1br1 n PHE 472 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1br1 n PHE 472 Cb 0.49 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1br1 n PHE 472 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1br1 h GLU 473 N 0.00 0.00 -6.24 -1.08 4.39 -2.00 -3.44 114.58 106.20 1br1 h GLU 473 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1br1 h GLU 473 Cb 0.00 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 1br1 h GLU 473 CO 0.00 0.00 0.77 0.42 -1.16 0.00 0.00 179.01 179.04 1br1 s ILE 474 N -1.46 4.22 -1.22 3.13 1.01 -1.26 -4.94 121.20 120.68 1br1 s ILE 474 Ca -0.05 0.64 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 1br1 s ILE 474 Cb 0.01 -4.62 0.20 0.00 0.01 0.00 0.00 42.46 38.07 1br1 s ILE 474 CO 0.08 -1.18 1.83 0.59 0.00 0.00 0.00 174.94 176.25 1br1 n ASN 475 N 7.89 5.82 -3.15 3.58 3.02 -1.26 -4.97 115.26 126.20 1br1 n ASN 475 Ca 0.06 -3.22 -0.13 0.00 -0.03 0.00 0.00 54.58 51.26 1br1 n ASN 475 Cb 0.48 -1.40 0.12 0.00 -0.61 0.00 0.00 39.78 38.38 1br1 n ASN 475 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1br1 n SER 476 N 2.83 -2.77 0.20 6.41 2.88 -1.26 -2.21 113.62 119.70 1br1 n SER 476 Ca 0.39 -0.37 -0.15 0.00 -1.33 0.00 0.00 58.87 57.42 1br1 n SER 476 Cb 0.34 -0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 63.27 1br1 n SER 476 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1br1 h PHE 477 N -2.62 -0.53 -0.99 0.66 3.57 -1.91 -2.94 116.94 112.17 1br1 h PHE 477 Ca -0.16 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.42 1br1 h PHE 477 Cb 0.56 0.19 -0.12 0.00 2.79 0.00 0.00 35.95 39.37 1br1 h PHE 477 CO 0.00 -0.31 -0.58 0.39 -2.23 0.00 0.00 178.31 175.58 1br1 n GLU 478 N -5.33 -0.43 0.20 1.11 4.71 -1.26 0.25 120.64 119.89 1br1 n GLU 478 Ca -0.10 1.50 0.18 0.00 -0.01 0.00 0.00 57.16 58.74 1br1 n GLU 478 Cb 0.24 -2.21 0.80 0.00 -1.01 0.00 0.00 31.44 29.26 1br1 n GLU 478 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1br1 h GLN 479 N 0.00 0.00 -0.02 3.49 7.50 -1.87 0.12 115.11 124.34 1br1 h GLN 479 Ca 0.17 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.24 1br1 h GLN 479 Cb 0.42 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.95 1br1 h GLN 479 CO -0.93 0.00 -0.27 1.25 -1.50 0.00 0.00 178.83 177.37 1br1 h LEU 480 N 0.00 0.27 -0.38 1.46 5.85 0.35 -1.65 115.31 121.21 1br1 h LEU 480 Ca 0.11 -0.73 -0.18 0.00 0.84 0.00 0.00 57.88 57.91 1br1 h LEU 480 Cb 0.81 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1br1 h LEU 480 CO -0.00 0.97 -0.66 0.00 -0.34 0.00 0.00 178.44 178.41 1br1 h ILE 482 N 0.42 0.15 0.00 0.00 2.04 -1.09 0.23 117.51 119.26 1br1 h ILE 482 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1br1 h ILE 482 Cb 1.24 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1br1 h ILE 482 CO 0.12 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.86 1br1 n ASN 483 N -5.59 0.00 0.04 1.72 4.13 -0.62 -1.94 115.26 113.01 1br1 n ASN 483 Ca -0.15 0.33 -0.03 0.00 1.68 0.00 0.00 54.58 56.41 1br1 n ASN 483 Cb 0.46 -0.40 -0.01 0.00 -1.54 0.00 0.00 39.78 38.29 1br1 n ASN 483 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1br1 h TYR 484 N 0.00 -0.18 -0.69 3.10 3.20 -0.07 -2.67 116.97 119.67 1br1 h TYR 484 Ca 0.00 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 1br1 h TYR 484 Cb 0.15 0.06 -0.11 0.00 1.54 0.00 0.00 36.73 38.37 1br1 h TYR 484 CO 0.00 -0.11 0.04 1.15 -1.64 0.00 0.00 178.16 177.60 1br1 h THR 485 N -0.86 0.45 -0.61 1.81 2.02 -0.28 0.45 112.91 115.89 1br1 h THR 485 Ca -0.02 -0.05 0.10 0.00 0.77 0.00 0.00 66.41 67.21 1br1 h THR 485 Cb 0.15 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 66.77 1br1 h THR 485 CO 0.03 0.03 0.22 0.78 0.37 0.00 0.00 175.52 176.95 1br1 h ASN 486 N 0.14 0.21 -0.20 4.18 -0.26 -1.49 0.73 115.58 118.89 1br1 h ASN 486 Ca 0.37 0.08 -0.09 0.00 -0.56 0.00 0.00 56.30 56.10 1br1 h ASN 486 Cb 0.63 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.94 1br1 h ASN 486 CO -0.57 0.12 -0.17 -0.08 -1.06 0.00 0.00 177.43 175.68 1br1 h GLU 487 N 0.40 0.62 0.52 0.81 4.57 -0.33 -2.51 114.58 118.65 1br1 h GLU 487 Ca 0.31 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1br1 h GLU 487 Cb 0.39 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1br1 h GLU 487 CO -0.32 0.76 -0.29 0.87 -1.18 0.00 0.00 179.01 178.86 1br1 h LYS 488 N 0.56 -0.72 -0.39 1.92 1.79 0.36 -2.89 116.57 117.20 1br1 h LYS 488 Ca 0.09 0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.69 1br1 h LYS 488 Cb 0.61 0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.33 1br1 h LYS 488 CO 0.04 -0.48 -0.34 1.25 -1.08 0.00 0.00 179.45 178.84 1br1 h LEU 489 N -0.75 -1.12 -0.66 2.94 7.12 0.23 -1.73 115.31 121.34 1br1 h LEU 489 Ca -0.07 0.19 0.13 0.00 0.13 0.00 0.00 57.88 58.26 1br1 h LEU 489 Cb 0.59 0.52 -0.13 0.00 -0.53 0.00 0.00 40.66 41.11 1br1 h LEU 489 CO 0.09 -0.33 -0.22 -0.61 -0.13 0.00 0.00 178.44 177.24 1br1 h GLN 490 N -0.27 -0.05 -0.64 1.25 5.75 -1.48 0.80 115.11 120.48 1br1 h GLN 490 Ca 0.17 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.82 1br1 h GLN 490 Cb 0.55 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 1br1 h GLN 490 CO -0.54 -0.03 0.44 0.37 -2.65 0.00 0.00 178.83 176.42 1br1 h GLN 491 N -0.05 0.20 0.03 1.69 5.75 -1.10 -0.03 115.11 121.60 1br1 h GLN 491 Ca 0.30 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.80 1br1 h GLN 491 Cb 0.52 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1br1 h GLN 491 CO -0.71 0.13 -0.08 1.25 -2.65 0.00 0.00 178.83 176.78 1br1 h LEU 492 N 0.21 -0.23 -1.02 -2.39 5.85 0.95 0.67 115.31 119.35 1br1 h LEU 492 Ca 0.31 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1br1 h LEU 492 Cb 0.93 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1br1 h LEU 492 CO -0.06 -0.12 0.64 0.15 -0.34 0.00 0.00 178.44 178.71 1br1 h PHE 493 N -0.15 1.18 -0.65 1.25 3.57 -0.75 -0.53 116.94 120.85 1br1 h PHE 493 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1br1 h PHE 493 Cb 0.18 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1br1 h PHE 493 CO -0.13 0.57 0.23 -0.91 -2.23 0.00 0.00 178.31 175.84 1br1 h ASN 494 N 1.12 0.92 0.71 0.41 -0.26 -0.46 0.47 115.58 118.49 1br1 h ASN 494 Ca 0.45 -0.19 -0.03 0.00 -0.56 0.00 0.00 56.30 55.96 1br1 h ASN 494 Cb 0.26 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1br1 h ASN 494 CO -0.19 0.86 -0.34 -0.74 -1.06 0.00 0.00 177.43 175.96 1br1 h HIS 495 N 0.92 -0.89 0.00 1.19 2.76 0.35 -1.57 115.15 117.92 1br1 h HIS 495 Ca 0.21 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1br1 h HIS 495 Cb 0.25 0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 1br1 h HIS 495 CO 0.02 -0.55 -0.05 1.79 -1.30 0.00 0.00 177.93 177.84 1br1 h THR 496 N -1.24 0.36 0.11 6.26 1.35 -1.19 0.26 112.91 118.83 1br1 h THR 496 Ca -0.10 -0.27 -0.31 0.00 -0.55 0.00 0.00 66.41 65.18 1br1 h THR 496 Cb 0.73 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1br1 h THR 496 CO 0.16 0.05 -1.60 -0.03 -0.25 0.00 0.00 175.52 173.85 1br1 h MET 497 N 0.00 0.24 0.00 4.72 -1.53 -0.86 -3.37 114.93 114.12 1br1 h MET 497 Ca -0.00 -0.40 -0.12 0.00 -3.44 0.00 0.00 59.70 55.74 1br1 h MET 497 Cb 0.19 0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.37 1br1 h MET 497 CO 0.01 1.19 -1.36 1.19 0.14 0.00 0.00 176.91 178.08 1br1 n PHE 498 N -3.82 0.00 0.00 1.39 3.72 -0.60 -4.61 117.46 113.54 1br1 n PHE 498 Ca -0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 1br1 n PHE 498 Cb 0.93 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 1br1 n PHE 498 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1br1 n ILE 499 N -3.34 0.00 -0.05 4.37 5.41 -0.76 -2.73 119.36 122.26 1br1 n ILE 499 Ca -0.14 1.43 -0.10 0.00 1.00 0.00 0.00 62.75 64.94 1br1 n ILE 499 Cb 0.58 -2.38 -0.04 0.00 -0.71 0.00 0.00 39.64 37.10 1br1 n ILE 499 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1br1 h LEU 500 N 0.00 -1.15 -0.85 1.39 3.38 -0.77 -2.54 115.31 114.77 1br1 h LEU 500 Ca 0.00 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.36 1br1 h LEU 500 Cb 0.00 0.50 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 1br1 h LEU 500 CO 0.00 -0.37 0.26 -0.08 0.09 0.00 0.00 178.44 178.35 1br1 h GLU 501 N -0.37 0.26 0.00 1.13 4.57 -1.72 0.87 114.58 119.31 1br1 h GLU 501 Ca 0.12 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1br1 h GLU 501 Cb 0.57 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1br1 h GLU 501 CO -0.44 0.17 -0.47 1.96 -1.18 0.00 0.00 179.01 179.05 1br1 h GLN 502 N 0.27 0.00 -0.03 1.92 4.20 -1.26 -3.18 115.11 117.03 1br1 h GLN 502 Ca 0.53 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.24 1br1 h GLN 502 Cb 1.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1br1 h GLN 502 CO -0.60 0.47 -0.01 0.93 -0.67 0.00 0.00 178.83 178.95 1br1 h GLU 503 N 0.00 -0.01 0.00 1.46 4.39 -0.52 -2.42 114.58 117.48 1br1 h GLU 503 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1br1 h GLU 503 Cb 1.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1br1 h GLU 503 CO 0.06 -0.00 -0.04 1.49 -1.16 0.00 0.00 179.01 179.36 1br1 h GLU 504 N -0.01 0.00 -0.57 2.33 4.57 -1.52 0.31 114.58 119.68 1br1 h GLU 504 Ca 0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1br1 h GLU 504 Cb 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1br1 h GLU 504 CO -0.03 0.04 -0.00 1.88 -1.18 0.00 0.00 179.01 179.71 1br1 h TYR 505 N 0.00 1.08 0.57 0.92 0.05 -1.43 -1.51 116.97 116.65 1br1 h TYR 505 Ca -0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 1br1 h TYR 505 Cb 0.08 -0.29 0.01 0.00 1.01 0.00 0.00 36.73 37.54 1br1 h TYR 505 CO 0.00 0.96 -0.27 1.96 -1.05 0.00 0.00 178.16 179.76 1br1 h GLN 506 N 0.92 -0.74 -0.63 4.88 7.50 -0.29 -1.54 115.11 125.21 1br1 h GLN 506 Ca 0.17 0.05 0.06 0.00 0.50 0.00 0.00 58.65 59.42 1br1 h GLN 506 Cb 0.54 0.17 -0.08 0.00 0.05 0.00 0.00 27.48 28.16 1br1 h GLN 506 CO 0.03 -0.46 -0.39 0.00 -1.50 0.00 0.00 178.83 176.51 1br1 h ARG 507 N -1.16 -0.02 0.00 1.46 3.08 -0.42 1.22 114.38 118.54 1br1 h ARG 507 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1br1 h ARG 507 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1br1 h ARG 507 CO 0.13 -0.01 0.00 0.93 -1.07 0.00 0.00 179.97 179.95 1br1 h GLU 508 N -0.02 0.00 -4.35 0.04 4.39 -1.38 -3.47 114.58 109.79 1br1 h GLU 508 Ca 0.10 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 1br1 h GLU 508 Cb 0.28 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.04 1br1 h GLU 508 CO -0.60 0.00 -0.50 0.41 -1.16 0.00 0.00 179.01 177.16 1br1 n GLY 509 N -1.01 -0.15 3.93 -3.84 0.00 0.42 -2.41 105.19 102.12 1br1 n GLY 509 Ca -0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1br1 n GLY 509 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1br1 s ILE 510 N -3.23 5.03 -0.77 -0.61 -4.36 -0.63 -4.88 121.20 111.75 1br1 s ILE 510 Ca 0.08 -0.18 -0.26 0.00 -0.26 0.00 0.00 60.65 60.03 1br1 s ILE 510 Cb -0.01 -3.84 -0.10 0.00 1.25 0.00 0.00 42.46 39.76 1br1 s ILE 510 CO 0.46 -0.62 2.24 -0.70 0.24 0.00 0.00 174.94 176.56 1br1 s GLU 511 N -4.34 2.00 -0.10 0.37 2.12 -1.26 -4.84 118.70 112.65 1br1 s GLU 511 Ca 0.43 0.40 -0.13 0.00 0.36 0.00 0.00 54.97 56.03 1br1 s GLU 511 Cb -0.10 -4.81 0.03 0.00 0.26 0.00 0.00 34.13 29.51 1br1 s GLU 511 CO 0.38 -3.89 0.34 -0.46 -0.54 0.00 0.00 175.26 171.10 1br1 s TRP 512 N 12.76 -0.34 0.02 5.30 -0.11 -1.26 -5.15 118.94 130.16 1br1 s TRP 512 Ca 0.85 0.78 0.06 0.00 1.22 0.00 0.00 56.10 59.01 1br1 s TRP 512 Cb -0.12 0.12 -0.03 0.00 -1.50 0.00 0.00 33.47 31.95 1br1 s TRP 512 CO 0.09 -0.24 -0.15 0.54 -4.62 0.00 0.00 176.95 172.57 1br1 s ASN 513 N -0.18 4.04 0.89 5.86 6.03 -1.26 -4.98 114.94 125.34 1br1 s ASN 513 Ca -0.03 -0.33 -0.11 0.00 -1.03 0.00 0.00 52.86 51.36 1br1 s ASN 513 Cb -0.03 -0.76 0.13 0.00 -3.03 0.00 0.00 41.25 37.56 1br1 s ASN 513 CO 0.01 0.27 1.11 0.12 -2.03 0.00 0.00 177.10 176.59 1br1 s PHE 514 N -0.93 1.98 -0.09 1.54 2.19 -1.26 -5.05 117.98 116.36 1br1 s PHE 514 Ca 0.15 1.60 -0.04 0.00 0.33 0.00 0.00 56.93 58.97 1br1 s PHE 514 Cb -0.11 -3.21 0.05 0.00 -1.31 0.00 0.00 43.02 38.45 1br1 s PHE 514 CO 0.05 -2.55 0.17 0.42 1.83 0.00 0.00 175.22 175.15 1br1 s ILE 515 N -2.75 -0.25 -0.57 3.12 1.09 -1.26 -5.12 121.20 115.48 1br1 s ILE 515 Ca 0.65 0.32 -0.20 0.00 -1.10 0.00 0.00 60.65 60.31 1br1 s ILE 515 Cb -0.21 -0.31 0.08 0.00 -1.06 0.00 0.00 42.46 40.96 1br1 s ILE 515 CO 0.58 0.13 0.74 -0.62 -0.10 0.00 0.00 174.94 175.67 1br1 s ASP 516 N 2.12 6.21 0.00 3.58 2.15 -1.26 -4.87 116.67 124.60 1br1 s ASP 516 Ca 0.01 -1.08 0.31 0.00 0.43 0.00 0.00 52.55 52.22 1br1 s ASP 516 Cb -0.12 -2.33 1.82 0.00 -0.30 0.00 0.00 42.92 41.99 1br1 s ASP 516 CO -0.06 -1.09 2.16 0.49 -0.17 0.00 0.00 175.17 176.49 1br1 n PHE 517 N 6.59 0.00 -3.61 -5.34 3.01 -1.26 -4.93 117.46 111.92 1br1 n PHE 517 Ca -0.07 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.18 1br1 n PHE 517 Cb 0.44 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.90 1br1 n PHE 517 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1br1 n GLY 518 N 0.96 -1.18 2.53 1.37 0.00 -1.26 -4.97 105.19 102.63 1br1 n GLY 518 Ca 0.22 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.50 1br1 n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1br1 s LEU 519 N -5.29 0.71 -0.08 0.99 1.43 -1.26 -5.11 118.68 110.07 1br1 s LEU 519 Ca 0.16 -2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 51.18 1br1 s LEU 519 Cb -0.06 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.01 1br1 s LEU 519 CO 0.86 -0.30 0.20 -0.62 0.23 0.00 0.00 176.35 176.71 1br1 s ASP 520 N 1.19 -0.20 -0.01 2.29 -1.08 -1.26 -4.85 116.67 112.75 1br1 s ASP 520 Ca 0.17 0.40 0.01 0.00 -0.52 0.00 0.00 52.55 52.62 1br1 s ASP 520 Cb -0.21 0.38 0.02 0.00 -1.46 0.00 0.00 42.92 41.65 1br1 s ASP 520 CO -0.01 -0.09 0.81 0.18 0.52 0.00 0.00 175.17 176.59 1br1 n LEU 521 N 3.22 1.14 -0.26 -1.34 4.77 -1.26 -4.79 117.00 118.47 1br1 n LEU 521 Ca -0.15 -1.24 -0.02 0.00 -0.03 0.00 0.00 56.01 54.57 1br1 n LEU 521 Cb 0.57 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1br1 n LEU 521 CO 0.19 0.31 0.64 -0.61 -1.33 0.00 0.00 177.39 176.58 1br1 h GLN 522 N 0.00 -0.08 0.00 3.23 5.75 -1.95 -1.76 115.11 120.29 1br1 h GLN 522 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1br1 h GLN 522 Cb 0.77 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.34 1br1 h GLN 522 CO 0.00 -0.05 0.00 -2.30 -2.65 0.00 0.00 178.83 173.83 1br1 n PRO 523 N -5.46 0.00 0.07 -2.39 -0.01 -1.26 0.58 135.00 126.53 1br1 n PRO 523 Ca 0.07 0.90 0.02 0.00 -0.01 0.00 0.00 63.50 64.48 1br1 n PRO 523 Cb 0.38 -1.43 0.11 0.00 -0.01 0.00 0.00 33.50 32.55 1br1 n PRO 523 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1br1 n ILE 525 N -1.54 1.71 -0.13 0.00 5.41 0.20 -4.15 119.36 120.85 1br1 n ILE 525 Ca -0.00 -0.46 -0.05 0.00 1.00 0.00 0.00 62.75 63.24 1br1 n ILE 525 Cb 0.35 -1.84 0.04 0.00 -0.71 0.00 0.00 39.64 37.48 1br1 n ILE 525 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1br1 h GLU 526 N -0.27 0.25 0.00 0.38 4.39 0.13 2.74 114.58 122.21 1br1 h GLU 526 Ca -0.40 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1br1 h GLU 526 Cb 1.81 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1br1 h GLU 526 CO -0.00 0.17 0.27 -0.11 -1.16 0.00 0.00 179.01 178.17 1br1 n LEU 527 N -5.06 0.14 0.00 1.33 0.00 -0.88 -1.95 117.00 110.58 1br1 n LEU 527 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 56.01 56.43 1br1 n LEU 527 Cb 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 43.42 43.23 1br1 n LEU 527 CO 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 177.39 177.19 1br1 n ILE 528 N -1.61 0.00 -0.04 1.96 3.06 0.05 -0.18 119.36 122.61 1br1 n ILE 528 Ca -0.00 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.20 1br1 n ILE 528 Cb 0.28 0.90 -0.01 0.00 0.54 0.00 0.00 39.64 41.34 1br1 n ILE 528 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1br1 n GLU 529 N 0.00 0.25 -1.35 9.51 2.13 0.90 -3.47 120.64 128.62 1br1 n GLU 529 Ca 0.00 0.10 -0.46 0.00 0.66 0.00 0.00 57.16 57.46 1br1 n GLU 529 Cb 0.00 -0.91 -0.03 0.00 0.27 0.00 0.00 31.44 30.77 1br1 n GLU 529 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1br1 n ARG 530 N -3.54 0.00 0.00 5.31 3.00 -1.02 -4.68 116.66 115.73 1br1 n ARG 530 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1br1 n ARG 530 Cb 0.25 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 31.74 1br1 n ARG 530 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1br1 n PRO 531 N 0.99 0.00 -0.33 -0.14 -0.04 -1.26 -0.33 135.00 133.89 1br1 n PRO 531 Ca 0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.33 1br1 n PRO 531 Cb 0.25 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.00 1br1 n PRO 531 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1br1 n THR 532 N 0.00 0.00 -3.61 0.52 -2.24 -1.26 -3.43 114.28 104.27 1br1 n THR 532 Ca 0.00 -0.07 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1br1 n THR 532 Cb 0.00 -1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 67.21 1br1 n THR 532 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1br1 n ASN 533 N -5.68 -5.95 -4.16 3.42 3.02 -1.26 -4.18 115.26 100.48 1br1 n ASN 533 Ca 0.14 0.37 -0.45 0.00 -0.03 0.00 0.00 54.58 54.61 1br1 n ASN 533 Cb 0.59 -1.05 -0.13 0.00 -0.61 0.00 0.00 39.78 38.58 1br1 n ASN 533 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1br1 n PRO 534 N -2.32 0.00 -0.68 3.52 -0.01 -1.26 -4.79 135.00 129.46 1br1 n PRO 534 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 63.50 63.18 1br1 n PRO 534 Cb 0.16 -1.41 0.17 0.00 -0.01 0.00 0.00 33.50 32.40 1br1 n PRO 534 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1br1 n PRO 535 N 7.68 -0.58 -4.12 0.52 -0.02 -1.22 -4.61 135.00 132.65 1br1 n PRO 535 Ca 0.59 -0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.73 1br1 n PRO 535 Cb 0.01 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.16 1br1 n PRO 535 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1br1 s GLY 536 N -2.52 1.49 0.30 -1.23 0.00 0.55 -4.80 107.32 101.11 1br1 s GLY 536 Ca 0.65 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 44.04 1br1 s GLY 536 CO 0.60 -1.41 1.66 -2.08 0.00 0.00 0.00 173.10 171.87 1br1 h VAL 537 N 1.65 0.36 -0.56 1.40 2.07 -0.74 0.28 116.25 120.70 1br1 h VAL 537 Ca -0.48 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1br1 h VAL 537 Cb 1.23 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1br1 h VAL 537 CO 0.61 0.05 0.13 -0.07 0.02 0.00 0.00 177.57 178.31 1br1 h LEU 538 N 0.28 0.86 -0.03 2.57 3.38 -1.83 -3.03 115.31 117.52 1br1 h LEU 538 Ca 0.59 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1br1 h LEU 538 Cb 1.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1br1 h LEU 538 CO -0.61 0.88 -0.22 0.00 0.09 0.00 0.00 178.44 178.58 1br1 h ALA 539 N 1.02 -0.65 -0.04 1.53 0.00 -0.71 -2.23 119.26 118.18 1br1 h ALA 539 Ca 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1br1 h ALA 539 Cb 0.36 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1br1 h ALA 539 CO 0.00 -0.72 -0.12 -0.07 0.00 0.00 0.00 179.25 178.34 1br1 h LEU 540 N -0.25 -0.40 -0.13 0.00 3.38 -1.52 0.26 115.31 116.65 1br1 h LEU 540 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1br1 h LEU 540 Cb 0.28 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1br1 h LEU 540 CO -0.16 -0.11 0.43 -0.11 0.09 0.00 0.00 178.44 178.58 1br1 n LEU 541 N -3.24 0.05 -0.08 1.67 7.94 -1.14 -1.27 117.00 120.93 1br1 n LEU 541 Ca -0.01 0.21 -0.10 0.00 -1.11 0.00 0.00 56.01 55.00 1br1 n LEU 541 Cb 0.08 -0.16 -0.06 0.00 0.53 0.00 0.00 43.42 43.81 1br1 n LEU 541 CO 0.02 -0.23 -0.20 0.44 -1.11 0.00 0.00 177.39 176.30 1br1 h ASP 542 N 0.00 0.00 -0.02 1.96 3.32 0.16 -3.29 116.42 118.55 1br1 h ASP 542 Ca 0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1br1 h ASP 542 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1br1 h ASP 542 CO 0.00 0.94 -0.21 1.05 -1.72 0.00 0.00 179.24 179.30 1br1 h GLU 543 N -1.00 0.18 0.00 3.56 9.09 -0.99 -2.93 114.58 122.48 1br1 h GLU 543 Ca -0.10 -0.16 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1br1 h GLU 543 Cb 0.69 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 1br1 h GLU 543 CO -0.06 0.86 0.03 0.39 0.05 0.00 0.00 179.01 180.28 1br1 n GLU 544 N -4.55 0.00 0.03 1.06 -0.58 -0.40 0.25 120.64 116.45 1br1 n GLU 544 Ca -0.09 0.27 0.12 0.00 -0.42 0.00 0.00 57.16 57.04 1br1 n GLU 544 Cb 0.46 -1.53 0.13 0.00 -0.57 0.00 0.00 31.44 29.93 1br1 n GLU 544 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1br1 n TRP 546 N -1.88 3.79 -3.48 0.00 8.01 0.68 -4.95 117.44 119.63 1br1 n TRP 546 Ca 0.03 -3.77 0.01 0.00 -1.31 0.00 0.00 57.50 52.46 1br1 n TRP 546 Cb 0.41 -0.62 -0.04 0.00 -2.01 0.00 0.00 31.31 29.05 1br1 n TRP 546 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 1br1 s PHE 547 N -3.49 -0.96 0.07 -5.99 5.36 -1.26 -5.03 117.98 106.68 1br1 s PHE 547 Ca 0.46 1.61 -0.15 0.00 -0.96 0.00 0.00 56.93 57.90 1br1 s PHE 547 Cb 0.25 0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 43.44 1br1 s PHE 547 CO -0.12 -0.48 1.25 -1.00 -1.46 0.00 0.00 175.22 173.41 1br1 h PRO 548 N 7.72 -0.10 -2.23 10.12 0.13 -1.93 -2.80 132.00 142.91 1br1 h PRO 548 Ca -0.17 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.92 1br1 h PRO 548 Cb 1.11 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1br1 h PRO 548 CO 0.09 -0.07 0.02 1.63 -0.23 0.00 0.00 178.00 179.44 1br1 n LYS 549 N -3.98 0.79 -4.30 0.86 5.02 -1.26 -4.72 118.16 110.56 1br1 n LYS 549 Ca -0.01 -0.26 -0.18 0.00 -2.02 0.00 0.00 58.31 55.85 1br1 n LYS 549 Cb 0.14 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 1br1 n LYS 549 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1br1 s ALA 550 N 1.44 0.77 0.04 7.82 0.00 -1.06 -5.01 121.76 125.76 1br1 s ALA 550 Ca 0.17 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1br1 s ALA 550 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1br1 s ALA 550 CO 0.00 0.16 0.03 0.95 0.00 0.00 0.00 175.76 176.90 1br1 s THR 551 N -0.46 0.16 0.24 0.00 -4.23 -1.26 -4.96 115.64 105.13 1br1 s THR 551 Ca 0.01 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1br1 s THR 551 Cb -0.05 -1.03 0.30 0.00 1.34 0.00 0.00 72.50 73.06 1br1 s THR 551 CO 0.00 -0.73 1.17 0.47 -0.54 0.00 0.00 174.62 174.99 1br1 n ASP 552 N 0.63 -0.01 0.16 3.99 8.00 -1.26 0.20 116.55 128.26 1br1 n ASP 552 Ca -0.18 1.26 -0.07 0.00 0.71 0.00 0.00 54.79 56.52 1br1 n ASP 552 Cb 0.59 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1br1 n ASP 552 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1br1 h THR 553 N 0.00 0.00 -0.82 -3.53 2.02 -1.93 -0.23 112.91 108.42 1br1 h THR 553 Ca 0.50 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.89 1br1 h THR 553 Cb 1.11 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.36 1br1 h THR 553 CO -0.67 0.00 -0.02 -1.54 0.37 0.00 0.00 175.52 173.66 1br1 n SER 554 N -3.23 -0.13 0.00 4.18 3.41 0.52 -0.05 113.62 118.33 1br1 n SER 554 Ca -0.05 1.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.95 1br1 n SER 554 Cb 0.17 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1br1 n SER 554 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1br1 n PHE 555 N -5.19 0.00 -0.35 7.33 7.35 0.24 -1.74 117.46 125.10 1br1 n PHE 555 Ca 0.18 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.90 1br1 n PHE 555 Cb 0.60 -0.46 0.08 0.00 0.35 0.00 0.00 39.48 40.06 1br1 n PHE 555 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1br1 n VAL 556 N -2.21 -0.44 -0.15 -2.13 0.31 0.93 0.79 118.33 115.43 1br1 n VAL 556 Ca 0.00 2.16 -0.02 0.00 -0.01 0.00 0.00 64.34 66.46 1br1 n VAL 556 Cb 0.00 -2.92 0.06 0.00 -0.91 0.00 0.00 33.84 30.07 1br1 n VAL 556 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1br1 h GLU 557 N 0.00 0.17 -0.57 5.55 4.39 -1.07 0.52 114.58 123.56 1br1 h GLU 557 Ca 0.39 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.05 1br1 h GLU 557 Cb 0.62 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1br1 h GLU 557 CO -0.94 0.11 0.25 -0.22 -1.16 0.00 0.00 179.01 177.05 1br1 h LYS 558 N 0.18 0.84 -0.64 2.33 3.64 0.99 -1.20 116.57 122.71 1br1 h LYS 558 Ca 0.24 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1br1 h LYS 558 Cb 0.35 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 31.91 1br1 h LYS 558 CO -0.36 0.71 -0.06 1.25 -2.27 0.00 0.00 179.45 178.73 1br1 h LEU 559 N 0.78 -0.40 -1.43 5.20 5.85 0.48 1.66 115.31 127.45 1br1 h LEU 559 Ca 0.19 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1br1 h LEU 559 Cb 0.17 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1br1 h LEU 559 CO -0.02 -0.16 0.27 0.40 -0.34 0.00 0.00 178.44 178.59 1br1 h ILE 560 N 0.07 1.15 0.11 4.05 1.08 0.51 -2.78 117.51 121.70 1br1 h ILE 560 Ca 0.33 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1br1 h ILE 560 Cb 0.53 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1br1 h ILE 560 CO -0.59 0.16 -0.22 -0.61 -0.69 0.00 0.00 178.15 176.19 1br1 h GLN 561 N 0.66 -0.35 0.00 2.37 -0.00 0.36 -1.99 115.11 116.16 1br1 h GLN 561 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 1br1 h GLN 561 Cb 0.01 0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.57 1br1 h GLN 561 CO -0.03 -0.23 0.00 0.39 0.00 0.00 0.00 178.83 178.96 1br1 n GLU 562 N -3.70 0.00 0.00 1.69 -0.58 -0.67 -4.41 120.64 112.98 1br1 n GLU 562 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1br1 n GLU 562 Cb 0.18 -0.87 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1br1 n GLU 562 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1br1 n GLN 563 N -0.41 0.00 0.00 3.49 3.00 -1.06 -4.59 117.38 117.81 1br1 n GLN 563 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1br1 n GLN 563 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1br1 n GLN 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1br1 n GLY 564 N -0.84 -0.01 1.85 1.08 0.00 -0.75 -2.15 105.19 104.37 1br1 n GLY 564 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.36 1br1 n GLY 564 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1br1 n ASN 565 N 0.36 5.39 -4.69 1.61 2.04 -1.26 -4.66 115.26 114.05 1br1 n ASN 565 Ca 0.00 -2.93 -0.42 0.00 -0.44 0.00 0.00 54.58 50.79 1br1 n ASN 565 Cb 0.00 -0.69 -0.03 0.00 -2.53 0.00 0.00 39.78 36.53 1br1 n ASN 565 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 1br1 s HIS 566 N -2.71 2.11 0.61 -2.53 2.46 -0.91 -4.81 115.29 109.52 1br1 s HIS 566 Ca 0.52 -0.02 0.25 0.00 0.47 0.00 0.00 55.06 56.28 1br1 s HIS 566 Cb 0.40 -4.16 1.03 0.00 -0.13 0.00 0.00 32.58 29.72 1br1 s HIS 566 CO 0.15 -4.82 1.48 0.00 -2.47 0.00 0.00 174.74 169.08 1br1 h ALA 567 N 8.71 2.52 -0.36 1.58 0.00 -1.93 1.62 119.26 131.40 1br1 h ALA 567 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1br1 h ALA 567 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1br1 h ALA 567 CO 0.95 -1.28 0.00 1.63 0.00 0.00 0.00 179.25 180.55 1br1 n LYS 568 N -3.26 2.44 -4.23 0.00 4.76 -1.26 -4.91 118.16 111.70 1br1 n LYS 568 Ca 0.15 -2.04 -0.24 0.00 -2.87 0.00 0.00 58.31 53.31 1br1 n LYS 568 Cb 1.15 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 32.93 1br1 n LYS 568 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1br1 s PHE 569 N -1.05 2.83 -0.23 2.13 5.36 0.55 -0.85 117.98 126.73 1br1 s PHE 569 Ca 0.27 -0.17 -0.26 0.00 -0.96 0.00 0.00 56.93 55.81 1br1 s PHE 569 Cb 0.15 -1.29 0.09 0.00 -0.34 0.00 0.00 43.02 41.62 1br1 s PHE 569 CO 0.20 0.57 0.82 -1.14 -1.46 0.00 0.00 175.22 174.21 1br1 s GLN 570 N -3.50 0.76 0.30 10.12 0.74 -0.76 -4.67 119.66 122.65 1br1 s GLN 570 Ca 0.31 0.71 -0.15 0.00 0.05 0.00 0.00 55.36 56.28 1br1 s GLN 570 Cb -0.08 0.37 -0.09 0.00 1.10 0.00 0.00 33.01 34.32 1br1 s GLN 570 CO 0.21 -0.13 0.71 -1.59 -0.55 0.00 0.00 175.29 173.93 1br1 s LYS 571 N -0.01 4.00 0.00 1.67 -2.85 -1.26 -0.07 119.74 121.22 1br1 s LYS 571 Ca -0.01 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 1br1 s LYS 571 Cb -0.04 -2.50 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 1br1 s LYS 571 CO 0.00 0.20 0.00 -1.13 0.10 0.00 0.00 175.35 174.53 1br1 n SER 572 N -0.22 -1.70 -3.52 0.03 3.41 -1.22 -4.76 113.62 105.63 1br1 n SER 572 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.23 1br1 n SER 572 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1br1 n SER 572 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1br1 n LYS 573 N -1.70 4.76 -4.16 4.33 4.01 -1.26 -4.72 118.16 119.42 1br1 n LYS 573 Ca 0.00 -3.72 -0.29 0.00 -0.51 0.00 0.00 58.31 53.79 1br1 n LYS 573 Cb 0.00 -2.60 -0.07 0.00 -0.51 0.00 0.00 35.03 31.85 1br1 n LYS 573 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1br1 n GLN 574 N 1.40 -1.89 -2.46 1.97 6.02 -1.26 -4.85 117.38 116.31 1br1 n GLN 574 Ca 0.59 0.22 -0.16 0.00 -0.01 0.00 0.00 57.00 57.63 1br1 n GLN 574 Cb 0.25 -3.96 0.02 0.00 1.02 0.00 0.00 30.24 27.58 1br1 n GLN 574 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1br1 n LEU 575 N -4.52 3.41 0.00 1.08 4.32 -1.26 -4.74 117.00 115.29 1br1 n LEU 575 Ca -0.32 -4.28 0.06 0.00 -0.02 0.00 0.00 56.01 51.46 1br1 n LEU 575 Cb 0.69 -0.03 0.34 0.00 -1.62 0.00 0.00 43.42 42.80 1br1 n LEU 575 CO 0.81 1.79 0.62 2.29 -1.22 0.00 0.00 177.39 181.68 1br1 n LYS 576 N -0.49 0.28 -0.15 3.23 -0.00 -1.26 0.82 118.16 120.58 1br1 n LYS 576 Ca 0.27 0.09 -0.10 0.00 -0.00 0.00 0.00 58.31 58.58 1br1 n LYS 576 Cb 0.82 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 34.34 1br1 n LYS 576 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1br1 h ASP 577 N 0.00 0.69 1.03 -5.58 3.04 -1.99 -1.53 116.42 112.08 1br1 h ASP 577 Ca 0.00 -0.27 -0.04 0.00 -3.24 0.00 0.00 57.03 53.48 1br1 h ASP 577 Cb 0.06 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 38.16 1br1 h ASP 577 CO 0.00 0.79 -0.99 0.11 -2.04 0.00 0.00 179.24 177.10 1br1 h LYS 578 N 0.57 0.00 -5.43 4.15 1.57 -1.37 -3.50 116.57 112.57 1br1 h LYS 578 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1br1 h LYS 578 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1br1 h LYS 578 CO 0.01 0.09 -1.03 0.25 -0.57 0.00 0.00 179.45 178.20 1br1 n THR 579 N -2.79 -9.69 -4.30 -0.16 -2.24 0.24 -4.32 114.28 91.03 1br1 n THR 579 Ca -0.02 1.60 -0.18 0.00 -2.27 0.00 0.00 64.05 63.18 1br1 n THR 579 Cb 0.62 -5.94 -0.10 0.00 -2.10 0.00 0.00 70.33 62.81 1br1 n THR 579 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1br1 s GLU 580 N -1.37 1.19 0.18 -0.78 -1.05 -1.23 -2.87 118.70 112.76 1br1 s GLU 580 Ca -0.02 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 1br1 s GLU 580 Cb 0.00 -1.01 -0.04 0.00 -0.44 0.00 0.00 34.13 32.64 1br1 s GLU 580 CO 0.60 0.18 0.05 -0.59 0.95 0.00 0.00 175.26 176.45 1br1 s PHE 581 N -2.67 1.14 0.15 4.83 -0.71 -0.58 -3.43 117.98 116.71 1br1 s PHE 581 Ca 0.17 -1.17 0.09 0.00 -1.04 0.00 0.00 56.93 54.97 1br1 s PHE 581 Cb -0.02 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 1br1 s PHE 581 CO 0.05 -0.40 -0.19 0.00 -1.34 0.00 0.00 175.22 173.34 1br1 s ILE 583 N -1.86 -0.02 -1.05 0.00 -4.36 -1.15 -1.83 121.20 110.92 1br1 s ILE 583 Ca 0.14 0.06 -0.20 0.00 -0.26 0.00 0.00 60.65 60.39 1br1 s ILE 583 Cb -0.07 -0.31 0.09 0.00 1.25 0.00 0.00 42.46 43.43 1br1 s ILE 583 CO 0.06 0.03 1.39 -0.76 0.24 0.00 0.00 174.94 175.90 1br1 s LEU 584 N 0.56 4.19 0.00 0.37 1.43 -0.03 -3.31 118.68 121.89 1br1 s LEU 584 Ca -0.04 -1.94 0.00 0.00 -1.03 0.00 0.00 54.13 51.12 1br1 s LEU 584 Cb -0.05 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1br1 s LEU 584 CO -0.03 -1.24 0.00 1.41 0.23 0.00 0.00 176.35 176.72 1br1 n HIS 585 N 7.76 -2.09 -0.02 0.29 8.25 -0.86 -4.91 115.22 123.64 1br1 n HIS 585 Ca 0.33 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.66 1br1 n HIS 585 Cb 0.49 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.46 1br1 n HIS 585 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1br1 n TYR 586 N -2.16 1.05 1.81 4.41 4.11 -1.26 -3.73 117.16 121.39 1br1 n TYR 586 Ca 0.00 0.31 0.13 0.00 -0.00 0.00 0.00 57.90 58.35 1br1 n TYR 586 Cb 0.00 -1.17 0.69 0.00 -0.00 0.00 0.00 39.34 38.86 1br1 n TYR 586 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1br1 n ALA 587 N -2.72 2.63 0.00 -3.48 0.00 -1.26 -4.83 120.51 110.85 1br1 n ALA 587 Ca -0.23 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1br1 n ALA 587 Cb 1.05 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1br1 n ALA 587 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br1 n GLY 588 N 1.00 1.38 3.81 0.00 0.00 -1.24 -5.09 105.19 105.05 1br1 n GLY 588 Ca 0.19 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1br1 n GLY 588 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1br1 s LYS 589 N -1.28 3.90 -0.09 1.61 2.20 -1.26 -2.04 119.74 122.78 1br1 s LYS 589 Ca 0.00 1.23 -0.08 0.00 -0.36 0.00 0.00 55.97 56.76 1br1 s LYS 589 Cb 0.00 -2.12 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 1br1 s LYS 589 CO 0.00 -0.33 0.25 0.08 -0.36 0.00 0.00 175.35 174.99 1br1 s VAL 590 N -2.15 -0.00 -0.45 4.02 1.01 -1.21 -4.96 120.40 116.65 1br1 s VAL 590 Ca 0.64 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 1br1 s VAL 590 Cb -0.13 -0.35 0.10 0.00 0.00 0.00 0.00 36.38 36.00 1br1 s VAL 590 CO 0.20 0.01 0.32 -0.89 0.00 0.00 0.00 175.10 174.74 1br1 s THR 591 N 0.24 4.35 0.29 3.92 2.01 -1.26 -2.95 115.64 122.24 1br1 s THR 591 Ca -0.01 -1.57 -0.15 0.00 0.31 0.00 0.00 61.69 60.27 1br1 s THR 591 Cb -0.03 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1br1 s THR 591 CO -0.01 -0.66 0.71 -0.31 -0.69 0.00 0.00 174.62 173.66 1br1 s TYR 592 N 1.42 3.42 -0.60 4.92 2.02 0.76 -4.17 117.35 125.11 1br1 s TYR 592 Ca 0.04 1.20 -0.08 0.00 -0.37 0.00 0.00 57.07 57.87 1br1 s TYR 592 Cb -0.25 -2.51 0.16 0.00 -0.40 0.00 0.00 41.96 38.95 1br1 s TYR 592 CO 0.01 0.15 0.47 1.21 -1.57 0.00 0.00 175.55 175.82 1br1 s ASN 593 N -2.18 5.75 0.00 2.29 3.04 -0.94 -1.52 114.94 121.38 1br1 s ASN 593 Ca 0.51 -2.44 0.00 0.00 0.04 0.00 0.00 52.86 50.97 1br1 s ASN 593 Cb -0.11 -1.99 0.00 0.00 -1.54 0.00 0.00 41.25 37.61 1br1 s ASN 593 CO 0.18 -0.54 0.80 0.00 -3.04 0.00 0.00 177.10 174.50 1br1 n ALA 594 N 4.16 0.84 -1.70 1.71 0.00 -1.14 -4.63 120.51 119.75 1br1 n ALA 594 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 1br1 n ALA 594 Cb 0.41 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1br1 n ALA 594 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1br1 n SER 595 N -1.30 3.47 0.00 0.00 2.88 -1.26 -2.09 113.62 115.32 1br1 n SER 595 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1br1 n SER 595 Cb 0.09 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 1br1 n SER 595 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1br1 n ALA 596 N 2.92 0.00 -0.38 -1.46 0.00 -1.26 -4.90 120.51 115.43 1br1 n ALA 596 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1br1 n ALA 596 Cb 0.33 -0.64 0.11 0.00 0.00 0.00 0.00 19.45 19.25 1br1 n ALA 596 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1br1 h TRP 597 N 0.00 1.27 -0.62 0.00 4.06 -1.74 -2.39 115.95 116.53 1br1 h TRP 597 Ca 0.00 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 1br1 h TRP 597 Cb 0.32 -0.43 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 1br1 h TRP 597 CO 0.20 0.80 0.24 -0.07 -3.56 0.00 0.00 178.44 176.05 1br1 h LEU 598 N 1.37 0.82 0.54 -4.49 3.38 -1.88 0.10 115.31 115.16 1br1 h LEU 598 Ca 0.37 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1br1 h LEU 598 Cb -0.16 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.38 1br1 h LEU 598 CO -0.08 0.74 -0.26 0.74 0.09 0.00 0.00 178.44 179.67 1br1 h THR 599 N 0.89 0.33 -0.24 0.22 2.02 -1.84 -2.54 112.91 111.74 1br1 h THR 599 Ca 0.21 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1br1 h THR 599 Cb 0.18 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1br1 h THR 599 CO -0.02 0.04 0.03 0.11 0.37 0.00 0.00 175.52 176.05 1br1 h LYS 600 N -1.00 0.11 0.00 6.66 1.57 -1.41 0.15 116.57 122.65 1br1 h LYS 600 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1br1 h LYS 600 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1br1 h LYS 600 CO 0.12 0.07 0.12 -0.97 -0.57 0.00 0.00 179.45 178.22 1br1 h ASN 601 N 0.11 0.00 0.00 0.86 -0.73 -0.79 -2.27 115.58 112.76 1br1 h ASN 601 Ca 0.11 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.99 1br1 h ASN 601 Cb 0.13 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.67 1br1 h ASN 601 CO -0.17 0.00 -2.09 0.80 -0.37 0.00 0.00 177.43 175.60 1br1 n MET 602 N -2.28 1.00 -3.34 6.67 1.56 -0.30 -2.60 117.12 117.83 1br1 n MET 602 Ca -0.01 0.05 -0.11 0.00 -0.27 0.00 0.00 57.70 57.36 1br1 n MET 602 Cb 0.15 -1.40 0.00 0.00 2.15 0.00 0.00 33.22 34.13 1br1 n MET 602 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1br1 n ASP 603 N -2.82 -6.62 -4.97 6.12 2.03 0.37 -4.88 116.55 105.78 1br1 n ASP 603 Ca -0.30 -0.37 -0.21 0.00 0.52 0.00 0.00 54.79 54.43 1br1 n ASP 603 Cb 0.94 -3.82 0.01 0.00 -0.72 0.00 0.00 41.12 37.53 1br1 n ASP 603 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1br1 s PRO 604 N -3.68 2.93 0.00 -0.67 0.04 -1.26 -4.79 135.00 127.57 1br1 s PRO 604 Ca 0.03 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.33 1br1 s PRO 604 Cb -0.01 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1br1 s PRO 604 CO 0.81 -0.31 0.00 -0.11 0.04 0.00 0.00 177.00 177.43 1br1 n LEU 605 N -2.03 0.00 -4.55 -3.56 7.94 -1.25 -4.95 117.00 108.59 1br1 n LEU 605 Ca 0.03 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.72 1br1 n LEU 605 Cb 0.58 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.46 1br1 n LEU 605 CO 0.45 0.00 1.55 -3.20 -1.11 0.00 0.00 177.39 175.08 1br1 n ASN 606 N 0.00 1.61 0.29 1.96 2.85 -1.26 -4.20 115.26 116.51 1br1 n ASN 606 Ca 0.00 -1.08 0.16 0.00 -0.11 0.00 0.00 54.58 53.55 1br1 n ASN 606 Cb 0.00 -1.52 0.94 0.00 1.24 0.00 0.00 39.78 40.44 1br1 n ASN 606 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 1br1 h ASP 607 N 14.44 0.00 -0.08 1.20 2.03 -1.97 -1.39 116.42 130.65 1br1 h ASP 607 Ca -0.06 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.28 1br1 h ASP 607 Cb 1.10 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.54 1br1 h ASP 607 CO 1.11 0.00 -0.34 0.78 -1.03 0.00 0.00 179.24 179.76 1br1 h ASN 608 N 0.00 -1.05 0.79 4.15 4.21 -1.90 -0.42 115.58 121.36 1br1 h ASN 608 Ca 0.01 0.14 -0.18 0.00 1.21 0.00 0.00 56.30 57.48 1br1 h ASN 608 Cb 0.05 0.43 -0.02 0.00 -1.12 0.00 0.00 38.32 37.66 1br1 h ASN 608 CO -0.00 -0.38 -0.86 1.62 -1.29 0.00 0.00 177.43 176.51 1br1 h VAL 609 N -0.45 1.58 0.00 2.81 3.04 -1.75 -2.72 116.25 118.76 1br1 h VAL 609 Ca 0.08 -2.85 0.00 0.00 -1.01 0.00 0.00 66.70 62.92 1br1 h VAL 609 Cb 0.57 2.55 0.00 0.00 -2.01 0.00 0.00 31.29 32.41 1br1 h VAL 609 CO -0.33 0.82 0.00 0.41 -1.01 0.00 0.00 177.57 177.46 1br1 n THR 610 N -3.56 0.00 -0.04 3.17 -1.04 -0.43 -1.55 114.28 110.83 1br1 n THR 610 Ca -0.01 1.23 0.14 0.00 -2.04 0.00 0.00 64.05 63.37 1br1 n THR 610 Cb 0.81 -1.88 0.57 0.00 -1.82 0.00 0.00 70.33 68.01 1br1 n THR 610 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1br1 h SER 611 N 0.00 0.24 -0.93 8.00 4.64 -1.27 -0.12 113.55 124.11 1br1 h SER 611 Ca 0.00 0.01 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 1br1 h SER 611 Cb 0.00 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 61.92 1br1 h SER 611 CO 0.00 0.14 0.44 0.25 -0.87 0.00 0.00 176.83 176.79 1br1 h LEU 612 N 0.26 0.40 0.10 5.97 5.85 -0.95 0.15 115.31 127.10 1br1 h LEU 612 Ca 0.26 0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.97 1br1 h LEU 612 Cb 0.67 0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.84 1br1 h LEU 612 CO -0.05 -0.01 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.25 1br1 h LEU 613 N 0.42 0.46 -0.06 2.25 3.38 -0.19 -3.30 115.31 118.26 1br1 h LEU 613 Ca 0.60 -0.91 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1br1 h LEU 613 Cb 1.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1br1 h LEU 613 CO -0.54 1.33 0.62 -3.20 0.09 0.00 0.00 178.44 176.74 1br1 n ASN 614 N -4.17 0.00 -0.21 -0.43 2.85 0.54 0.40 115.26 114.23 1br1 n ASN 614 Ca -0.13 0.32 0.02 0.00 -0.11 0.00 0.00 54.58 54.68 1br1 n ASN 614 Cb 0.77 -0.02 0.03 0.00 1.24 0.00 0.00 39.78 41.80 1br1 n ASN 614 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1br1 n GLN 615 N -1.78 0.65 -0.81 1.20 6.02 -1.19 -4.65 117.38 116.82 1br1 n GLN 615 Ca 0.01 -1.24 -0.33 0.00 -0.01 0.00 0.00 57.00 55.43 1br1 n GLN 615 Cb 0.64 -0.76 0.12 0.00 1.02 0.00 0.00 30.24 31.25 1br1 n GLN 615 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1br1 n SER 616 N -0.35 -2.44 -0.16 1.08 3.41 1.32 -4.89 113.62 111.59 1br1 n SER 616 Ca 0.03 0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.87 1br1 n SER 616 Cb 0.57 -1.16 0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1br1 n SER 616 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1br1 h SER 617 N -1.54 0.91 -2.10 4.04 0.87 -0.89 -3.41 113.55 111.44 1br1 h SER 617 Ca -0.44 -0.25 -0.51 0.00 -1.23 0.00 0.00 61.79 59.36 1br1 h SER 617 Cb 1.29 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1br1 h SER 617 CO 0.33 0.99 1.34 -0.62 -0.53 0.00 0.00 176.83 178.34 1br1 s ASP 618 N -6.62 5.37 0.20 6.23 -1.08 -1.25 -4.89 116.67 114.62 1br1 s ASP 618 Ca -0.11 0.46 -0.15 0.00 -0.52 0.00 0.00 52.55 52.24 1br1 s ASP 618 Cb 0.14 -2.53 0.19 0.00 -1.46 0.00 0.00 42.92 39.26 1br1 s ASP 618 CO 0.84 -2.28 1.64 0.50 0.52 0.00 0.00 175.17 176.39 1br1 h LYS 619 N 14.62 -0.00 -0.48 4.34 3.64 -1.95 0.55 116.57 137.29 1br1 h LYS 619 Ca -0.27 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1br1 h LYS 619 Cb 1.16 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.89 1br1 h LYS 619 CO 1.19 -0.00 -0.08 0.35 -2.27 0.00 0.00 179.45 178.64 1br1 h PHE 620 N -0.00 -0.19 0.00 1.91 3.57 -1.97 1.12 116.94 121.38 1br1 h PHE 620 Ca 0.27 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 1br1 h PHE 620 Cb 0.40 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1br1 h PHE 620 CO -0.46 -0.18 -0.22 0.28 -2.23 0.00 0.00 178.31 175.50 1br1 h VAL 621 N 0.03 0.65 0.50 1.41 2.07 -1.48 -0.27 116.25 119.16 1br1 h VAL 621 Ca 0.23 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1br1 h VAL 621 Cb 0.36 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1br1 h VAL 621 CO -0.46 0.21 -0.24 0.00 0.02 0.00 0.00 177.57 177.10 1br1 h ALA 622 N 1.78 -1.04 -0.23 1.67 0.00 0.62 -1.68 119.26 120.39 1br1 h ALA 622 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1br1 h ALA 622 Cb 0.61 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1br1 h ALA 622 CO 0.03 -0.99 0.06 -0.44 0.00 0.00 0.00 179.25 177.90 1br1 h ASP 623 N -0.74 0.28 0.12 0.00 3.32 0.01 2.03 116.42 121.43 1br1 h ASP 623 Ca -0.07 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1br1 h ASP 623 Cb 0.51 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1br1 h ASP 623 CO 0.11 0.29 -0.26 0.25 -1.72 0.00 0.00 179.24 177.91 1br1 h LEU 624 N 0.32 -0.74 0.00 1.55 6.46 -0.99 -3.06 115.31 118.85 1br1 h LEU 624 Ca 0.08 0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.85 1br1 h LEU 624 Cb 0.12 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1br1 h LEU 624 CO -0.00 -0.35 -0.95 -0.50 -0.62 0.00 0.00 178.44 176.01 1br1 h TRP 625 N -0.47 0.00 -0.03 1.25 4.06 -0.67 -3.41 115.95 116.68 1br1 h TRP 625 Ca 0.03 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.99 1br1 h TRP 625 Cb 0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1br1 h TRP 625 CO -0.24 0.28 0.25 0.36 -3.56 0.00 0.00 178.44 175.53 1br1 n LYS 626 N -2.88 0.01 -3.94 0.49 -0.00 0.68 -2.84 118.16 109.68 1br1 n LYS 626 Ca -0.03 0.24 -0.30 0.00 -0.00 0.00 0.00 58.31 58.22 1br1 n LYS 626 Cb 0.68 -0.63 -0.14 0.00 -0.00 0.00 0.00 35.03 34.94 1br1 n LYS 626 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1br1 s ASP 627 N -2.35 4.39 -0.18 -5.58 -4.77 -1.26 -4.92 116.67 102.01 1br1 s ASP 627 Ca -0.00 -3.08 0.15 0.00 -3.30 0.00 0.00 52.55 46.32 1br1 s ASP 627 Cb 0.00 -1.65 0.38 0.00 -1.09 0.00 0.00 42.92 40.57 1br1 s ASP 627 CO 0.01 -0.22 1.24 0.52 0.70 0.00 0.00 175.17 177.42 1br1 n VAL 628 N 3.02 2.11 0.57 2.11 0.31 -1.13 -4.76 118.33 120.56 1br1 n VAL 628 Ca 0.06 -2.61 0.09 0.00 -0.01 0.00 0.00 64.34 61.87 1br1 n VAL 628 Cb 0.32 -0.25 0.38 0.00 -0.91 0.00 0.00 33.84 33.38 1br1 n VAL 628 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1br1 n ASP 629 N -1.20 0.08 -0.01 4.52 9.92 -1.26 -3.15 116.55 125.45 1br1 n ASP 629 Ca 0.19 0.52 0.07 0.00 -0.53 0.00 0.00 54.79 55.04 1br1 n ASP 629 Cb 0.73 -0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 40.59 1br1 n ASP 629 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1br1 n ARG 630 N -1.58 2.18 -0.90 -1.24 0.63 -1.26 -5.02 116.66 109.46 1br1 n ARG 630 Ca 0.04 -0.03 -0.35 0.00 -0.92 0.00 0.00 57.85 56.60 1br1 n ARG 630 Cb 0.21 -1.19 0.08 0.00 0.45 0.00 0.00 32.46 32.01 1br1 n ARG 630 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1br1 n ILE 631 N -1.30 0.00 -4.35 5.15 2.08 -1.19 -4.79 119.36 114.96 1br1 n ILE 631 Ca 0.03 -0.35 -0.34 0.00 0.56 0.00 0.00 62.75 62.64 1br1 n ILE 631 Cb 0.23 -0.29 -0.13 0.00 -0.75 0.00 0.00 39.64 38.70 1br1 n ILE 631 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1br1 s VAL 632 N -2.19 3.57 -0.41 1.39 1.01 -1.26 -4.99 120.40 117.53 1br1 s VAL 632 Ca 0.48 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1br1 s VAL 632 Cb -0.19 -2.57 0.23 0.00 0.00 0.00 0.00 36.38 33.85 1br1 s VAL 632 CO 0.76 0.48 0.52 0.61 0.00 0.00 0.00 175.10 177.47 1br1 n GLY 633 N 3.89 2.32 0.62 4.51 0.00 -1.26 -3.93 105.19 111.34 1br1 n GLY 633 Ca -0.18 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1br1 n GLY 633 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1br1 n LEU 634 N 1.79 0.00 0.00 0.99 7.94 -1.26 -4.60 117.00 121.86 1br1 n LEU 634 Ca 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1br1 n LEU 634 Cb 0.53 0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.63 1br1 n LEU 634 CO 0.14 -0.15 0.00 0.33 -1.11 0.00 0.00 177.39 176.59 1br1 n PHE 656 N -1.61 0.00 -3.74 1.96 7.35 -1.26 -5.00 117.46 115.16 1br1 n PHE 656 Ca 0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 1br1 n PHE 656 Cb 0.00 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 1br1 n PHE 656 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1br1 s ARG 657 N 0.42 3.59 0.26 -4.13 6.06 -1.26 -5.08 118.95 118.81 1br1 s ARG 657 Ca 0.00 -0.07 -0.29 0.00 -2.50 0.00 0.00 55.73 52.87 1br1 s ARG 657 Cb 0.00 -3.05 -0.09 0.00 0.06 0.00 0.00 34.95 31.87 1br1 s ARG 657 CO 0.00 0.62 0.94 -0.08 -2.50 0.00 0.00 175.30 174.28 1br1 s THR 658 N -1.35 4.10 0.08 4.11 -1.32 -1.26 -4.91 115.64 115.09 1br1 s THR 658 Ca 0.30 2.03 -0.26 0.00 -1.21 0.00 0.00 61.69 62.55 1br1 s THR 658 Cb -0.13 -4.26 -0.11 0.00 -1.51 0.00 0.00 72.50 66.49 1br1 s THR 658 CO 0.18 0.42 1.42 0.58 -2.21 0.00 0.00 174.62 175.01 1br1 h VAL 659 N 3.03 0.00 -0.98 5.08 2.07 -1.83 0.59 116.25 124.22 1br1 h VAL 659 Ca -0.45 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.35 1br1 h VAL 659 Cb 1.20 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1br1 h VAL 659 CO 0.67 0.00 0.88 1.23 0.02 0.00 0.00 177.57 180.37 1br1 h GLY 660 N -0.52 0.00 0.00 2.17 0.00 -1.95 0.29 103.07 103.06 1br1 h GLY 660 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1br1 h GLY 660 CO -0.27 0.00 -2.03 -0.18 0.00 0.00 0.00 176.54 174.06 1br1 n GLN 661 N -3.75 0.67 -0.03 4.80 -0.06 -0.58 -2.41 117.38 116.02 1br1 n GLN 661 Ca 0.21 -0.16 -0.11 0.00 -2.00 0.00 0.00 57.00 54.94 1br1 n GLN 661 Cb 1.20 -1.50 -0.06 0.00 -4.06 0.00 0.00 30.24 25.82 1br1 n GLN 661 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1br1 h LEU 662 N 0.00 0.20 0.00 1.69 5.85 0.37 -1.81 115.31 121.60 1br1 h LEU 662 Ca -0.10 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1br1 h LEU 662 Cb 1.19 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1br1 h LEU 662 CO 0.01 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.46 1br1 n TYR 663 N -4.86 0.00 0.00 1.25 9.36 -0.01 -3.15 117.16 119.75 1br1 n TYR 663 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1br1 n TYR 663 Cb 0.15 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 1br1 n TYR 663 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1br1 n LYS 664 N -0.58 0.00 -0.08 2.98 0.00 -1.01 0.16 118.16 119.62 1br1 n LYS 664 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.08 1br1 n LYS 664 Cb 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 35.03 33.57 1br1 n LYS 664 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1br1 n GLU 665 N -0.65 0.64 0.12 1.64 4.07 -0.68 -4.13 120.64 121.65 1br1 n GLU 665 Ca 0.00 0.35 -0.03 0.00 -0.06 0.00 0.00 57.16 57.42 1br1 n GLU 665 Cb 0.31 -1.64 0.11 0.00 -0.06 0.00 0.00 31.44 30.15 1br1 n GLU 665 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 1br1 h GLN 666 N -0.53 0.04 0.00 5.31 3.07 0.15 -2.79 115.11 120.37 1br1 h GLN 666 Ca -0.49 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.22 1br1 h GLN 666 Cb 1.68 0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.25 1br1 h GLN 666 CO -0.15 0.72 0.00 -0.11 0.09 0.00 0.00 178.83 179.37 1br1 n LEU 667 N -3.73 0.00 -0.01 0.06 7.94 -0.87 -0.50 117.00 119.88 1br1 n LEU 667 Ca -0.01 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.95 1br1 n LEU 667 Cb 0.68 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.51 1br1 n LEU 667 CO 0.43 0.00 -0.72 0.41 -1.11 0.00 0.00 177.39 176.41 1br1 n THR 668 N -0.94 0.12 0.20 1.96 -1.04 -1.06 -3.03 114.28 110.48 1br1 n THR 668 Ca 0.13 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.05 61.64 1br1 n THR 668 Cb 0.06 0.06 -0.07 0.00 -1.82 0.00 0.00 70.33 68.56 1br1 n THR 668 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1br1 h LYS 669 N 0.00 -0.52 0.18 -2.82 3.64 -0.73 -2.15 116.57 114.18 1br1 h LYS 669 Ca -0.05 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1br1 h LYS 669 Cb 0.84 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1br1 h LYS 669 CO 0.00 -0.22 -0.37 1.25 -2.27 0.00 0.00 179.45 177.85 1br1 h LEU 670 N -0.96 -1.05 -1.56 5.20 5.85 -1.41 0.14 115.31 121.52 1br1 h LEU 670 Ca -0.06 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1br1 h LEU 670 Cb 0.55 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1br1 h LEU 670 CO 0.09 -0.46 0.32 -0.03 -0.34 0.00 0.00 178.44 178.02 1br1 h MET 671 N -0.63 0.00 0.00 1.25 4.05 -1.59 -2.21 114.93 115.80 1br1 h MET 671 Ca 0.01 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1br1 h MET 671 Cb 0.64 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1br1 h MET 671 CO -0.18 0.00 -0.02 1.15 0.23 0.00 0.00 176.91 178.10 1br1 h THR 672 N 0.00 1.74 -0.54 -0.77 2.02 -0.03 -3.17 112.91 112.16 1br1 h THR 672 Ca 0.00 -2.31 -0.08 0.00 0.77 0.00 0.00 66.41 64.79 1br1 h THR 672 Cb 0.65 3.29 -0.02 0.00 -1.74 0.00 0.00 68.15 70.32 1br1 h THR 672 CO 0.00 0.59 0.00 0.71 0.37 0.00 0.00 175.52 177.19 1br1 h THR 673 N -1.00 1.26 -0.90 3.16 1.35 -1.03 -2.58 112.91 113.16 1br1 h THR 673 Ca -0.00 -1.08 0.07 0.00 -0.55 0.00 0.00 66.41 64.84 1br1 h THR 673 Cb 0.98 0.83 -0.06 0.00 -1.73 0.00 0.00 68.15 68.17 1br1 h THR 673 CO -0.00 0.39 0.59 -0.07 -0.25 0.00 0.00 175.52 176.17 1br1 h LEU 674 N 0.86 0.90 0.00 3.87 3.38 -1.60 0.52 115.31 123.23 1br1 h LEU 674 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1br1 h LEU 674 Cb 0.50 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1br1 h LEU 674 CO 0.02 0.57 0.00 0.54 0.09 0.00 0.00 178.44 179.67 1br1 n ARG 675 N -4.49 0.34 -0.12 1.13 1.74 -0.99 -2.43 116.66 111.84 1br1 n ARG 675 Ca 0.14 0.08 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 1br1 n ARG 675 Cb 0.20 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.26 1br1 n ARG 675 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1br1 n ASN 676 N -1.26 2.59 -3.34 0.55 3.02 0.18 -5.00 115.26 112.00 1br1 n ASN 676 Ca 0.11 -1.84 -0.17 0.00 -0.03 0.00 0.00 54.58 52.65 1br1 n ASN 676 Cb 0.16 -0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 1br1 n ASN 676 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1br1 n THR 677 N 0.49 0.00 -3.80 3.41 -2.24 -0.83 -4.81 114.28 106.51 1br1 n THR 677 Ca 0.10 -1.29 -0.36 0.00 -2.27 0.00 0.00 64.05 60.22 1br1 n THR 677 Cb 0.37 0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.76 1br1 n THR 677 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1br1 s ASN 678 N -2.48 4.91 0.30 3.42 3.04 0.76 -4.90 114.94 120.00 1br1 s ASN 678 Ca 0.02 -0.46 -0.28 0.00 0.04 0.00 0.00 52.86 52.17 1br1 s ASN 678 Cb 0.00 -1.86 -0.09 0.00 -1.54 0.00 0.00 41.25 37.76 1br1 s ASN 678 CO 0.01 -0.10 1.04 -2.16 -3.04 0.00 0.00 177.10 172.86 1br1 s PRO 679 N 1.53 4.58 -0.26 0.43 0.04 -1.26 0.16 135.00 140.23 1br1 s PRO 679 Ca 0.05 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1br1 s PRO 679 Cb -0.16 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.43 1br1 s PRO 679 CO 0.01 0.21 0.08 -0.80 0.04 0.00 0.00 177.00 176.54 1br1 s ASN 680 N -1.15 3.48 -0.10 6.66 0.01 0.30 -4.87 114.94 119.27 1br1 s ASN 680 Ca 0.47 -1.24 -0.25 0.00 -0.71 0.00 0.00 52.86 51.13 1br1 s ASN 680 Cb -0.27 -0.65 -0.03 0.00 0.41 0.00 0.00 41.25 40.71 1br1 s ASN 680 CO 0.35 -0.38 0.77 -0.36 -1.51 0.00 0.00 177.10 175.97 1br1 s PHE 681 N 1.81 3.53 -0.64 2.20 0.08 -1.26 -0.89 117.98 122.81 1br1 s PHE 681 Ca 0.05 1.29 0.06 0.00 0.12 0.00 0.00 56.93 58.45 1br1 s PHE 681 Cb -0.17 -2.91 0.25 0.00 -0.57 0.00 0.00 43.02 39.62 1br1 s PHE 681 CO -0.21 -0.04 0.76 0.28 -0.10 0.00 0.00 175.22 175.91 1br1 n VAL 682 N 4.15 2.43 -1.41 -0.44 0.31 -1.01 -2.78 118.33 119.58 1br1 n VAL 682 Ca 0.01 -5.25 -0.11 0.00 -0.01 0.00 0.00 64.34 58.98 1br1 n VAL 682 Cb 0.50 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 31.27 1br1 n VAL 682 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1br1 n ARG 683 N 0.79 0.15 -1.68 5.55 5.12 -0.99 -3.84 116.66 121.76 1br1 n ARG 683 Ca 0.30 -0.82 -0.37 0.00 -1.93 0.00 0.00 57.85 55.03 1br1 n ARG 683 Cb 0.41 -2.68 0.06 0.00 -1.16 0.00 0.00 32.46 29.09 1br1 n ARG 683 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1br1 s ILE 685 N -1.44 -0.06 0.07 0.00 1.01 -1.24 -3.96 121.20 115.59 1br1 s ILE 685 Ca 0.79 0.35 -0.30 0.00 0.00 0.00 0.00 60.65 61.49 1br1 s ILE 685 Cb -0.40 -0.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 1br1 s ILE 685 CO 0.44 0.16 1.08 -0.63 0.00 0.00 0.00 174.94 176.00 1br1 s ILE 686 N 1.87 4.32 0.01 2.92 -1.09 -1.26 -1.93 121.20 126.04 1br1 s ILE 686 Ca 0.01 1.75 0.02 0.00 -2.23 0.00 0.00 60.65 60.20 1br1 s ILE 686 Cb -0.12 -4.12 -0.26 0.00 -1.58 0.00 0.00 42.46 36.38 1br1 s ILE 686 CO -0.03 0.18 0.86 1.55 -1.23 0.00 0.00 174.94 176.27 1br1 h PRO 687 N 6.34 0.16 -2.38 2.79 0.13 -1.89 -3.41 132.00 133.73 1br1 h PRO 687 Ca -0.42 -0.27 0.09 0.00 -0.87 0.00 0.00 66.00 64.53 1br1 h PRO 687 Cb 1.22 0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.30 1br1 h PRO 687 CO 0.76 0.97 0.45 0.54 -0.23 0.00 0.00 178.00 180.49 1br1 s ASN 688 N -6.75 -0.40 0.00 1.44 2.20 -1.26 -1.02 114.94 109.15 1br1 s ASN 688 Ca -0.07 0.01 0.24 0.00 -0.94 0.00 0.00 52.86 52.09 1br1 s ASN 688 Cb 0.08 0.42 0.25 0.00 -2.00 0.00 0.00 41.25 39.99 1br1 s ASN 688 CO 0.84 -0.67 1.24 1.41 -2.94 0.00 0.00 177.10 176.98 1br1 n HIS 689 N -0.25 0.00 1.95 1.54 8.25 -1.26 -3.95 115.22 121.50 1br1 n HIS 689 Ca -0.10 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.49 1br1 n HIS 689 Cb 0.62 -0.06 0.72 0.00 1.12 0.00 0.00 29.99 32.40 1br1 n HIS 689 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1br1 n GLU 690 N -0.49 1.05 -2.39 -0.41 1.02 -1.26 -4.84 120.64 113.32 1br1 n GLU 690 Ca 0.09 -0.08 -0.17 0.00 -0.02 0.00 0.00 57.16 56.98 1br1 n GLU 690 Cb 0.41 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 1br1 n GLU 690 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1br1 n LYS 691 N -0.81 -1.90 -3.68 3.49 4.81 -1.25 -4.93 118.16 113.90 1br1 n LYS 691 Ca 0.19 0.84 -0.38 0.00 -0.87 0.00 0.00 58.31 58.10 1br1 n LYS 691 Cb 0.11 -5.47 -0.06 0.00 0.02 0.00 0.00 35.03 29.62 1br1 n LYS 691 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1br1 s ARG 692 N -4.99 3.70 0.12 1.64 1.81 -1.26 -5.08 118.95 114.88 1br1 s ARG 692 Ca 0.00 0.15 -0.10 0.00 -1.72 0.00 0.00 55.73 54.07 1br1 s ARG 692 Cb 0.00 -3.21 -0.06 0.00 -0.45 0.00 0.00 34.95 31.23 1br1 s ARG 692 CO 0.00 0.73 0.43 0.00 -0.68 0.00 0.00 175.30 175.78 1br1 s ALA 693 N -1.03 3.70 0.00 2.13 0.00 -1.26 -3.94 121.76 121.36 1br1 s ALA 693 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1br1 s ALA 693 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1br1 s ALA 693 CO 0.09 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1br1 n GLY 694 N 0.64 2.40 3.69 0.00 0.00 -1.26 -4.98 105.19 105.69 1br1 n GLY 694 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1br1 n GLY 694 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1br1 s LYS 695 N -0.02 4.15 -0.28 1.61 2.20 -1.25 -5.06 119.74 121.09 1br1 s LYS 695 Ca 0.00 -0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.46 1br1 s LYS 695 Cb 0.00 -3.48 0.09 0.00 -1.51 0.00 0.00 37.83 32.93 1br1 s LYS 695 CO 0.00 0.15 0.09 -1.17 -0.36 0.00 0.00 175.35 174.06 1br1 s LEU 696 N 0.78 1.66 -0.21 5.43 2.96 -1.26 -4.43 118.68 123.61 1br1 s LEU 696 Ca 0.11 -1.38 -0.29 0.00 -0.22 0.00 0.00 54.13 52.35 1br1 s LEU 696 Cb -0.13 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 1br1 s LEU 696 CO 0.03 -0.39 1.63 -0.62 -1.32 0.00 0.00 176.35 175.68 1br1 s ASP 697 N 1.77 6.37 0.09 3.68 -1.08 -0.19 -4.94 116.67 122.36 1br1 s ASP 697 Ca 0.07 1.66 -0.33 0.00 -0.52 0.00 0.00 52.55 53.43 1br1 s ASP 697 Cb -0.17 -2.53 -0.15 0.00 -1.46 0.00 0.00 42.92 38.61 1br1 s ASP 697 CO -0.23 -1.26 1.51 0.00 0.52 0.00 0.00 175.17 175.71 1br1 h ALA 698 N 10.78 -1.06 -0.45 3.66 0.00 -1.89 -2.37 119.26 127.92 1br1 h ALA 698 Ca -0.34 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1br1 h ALA 698 Cb 1.16 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1br1 h ALA 698 CO 1.00 -1.13 -0.23 0.45 0.00 0.00 0.00 179.25 179.34 1br1 h HIS 699 N -0.84 1.07 -0.94 0.00 3.86 -1.92 0.23 115.15 116.61 1br1 h HIS 699 Ca -0.04 -0.26 0.12 0.00 -1.16 0.00 0.00 60.37 59.03 1br1 h HIS 699 Cb 0.77 -0.25 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 1br1 h HIS 699 CO -0.32 1.06 0.60 1.25 0.86 0.00 0.00 177.93 181.38 1br1 h LEU 700 N 0.80 0.82 0.00 2.43 6.46 -1.92 0.71 115.31 124.61 1br1 h LEU 700 Ca 0.10 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1br1 h LEU 700 Cb 0.80 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1br1 h LEU 700 CO 0.07 0.45 -0.41 0.58 -0.62 0.00 0.00 178.44 178.50 1br1 h VAL 701 N 0.88 0.00 0.10 1.05 2.07 -1.17 -3.08 116.25 116.10 1br1 h VAL 701 Ca 0.46 -0.61 -0.29 0.00 0.82 0.00 0.00 66.70 67.07 1br1 h VAL 701 Cb 0.52 1.36 0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1br1 h VAL 701 CO -0.22 0.00 -1.21 0.25 0.02 0.00 0.00 177.57 176.41 1br1 h LEU 702 N 0.00 0.87 -0.06 2.57 5.85 0.36 -3.02 115.31 121.87 1br1 h LEU 702 Ca 0.00 -0.78 -0.01 0.00 0.84 0.00 0.00 57.88 57.93 1br1 h LEU 702 Cb 0.81 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1br1 h LEU 702 CO 0.00 1.58 0.00 -0.08 -0.34 0.00 0.00 178.44 179.61 1br1 h GLU 703 N 0.29 0.11 -0.54 1.25 4.22 -0.33 -2.77 114.58 116.80 1br1 h GLU 703 Ca -0.18 -0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.33 1br1 h GLU 703 Cb 1.88 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 31.01 1br1 h GLU 703 CO 0.23 0.37 -0.31 1.96 -2.18 0.00 0.00 179.01 179.09 1br1 h GLN 704 N -0.17 -0.16 0.00 1.92 4.20 -1.63 2.69 115.11 121.96 1br1 h GLN 704 Ca 0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1br1 h GLN 704 Cb 0.32 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1br1 h GLN 704 CO 0.00 -0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.34 1br1 n LEU 705 N -5.43 0.00 -0.09 1.46 4.77 -1.14 -1.35 117.00 115.21 1br1 n LEU 705 Ca 0.04 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1br1 n LEU 705 Cb 0.35 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1br1 n LEU 705 CO 0.03 -0.48 -0.60 0.54 -1.33 0.00 0.00 177.39 175.56 1br1 n ARG 706 N -1.49 0.51 0.02 3.23 1.74 0.87 -3.35 116.66 118.20 1br1 n ARG 706 Ca 0.00 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 57.62 1br1 n ARG 706 Cb 0.01 -1.64 0.40 0.00 -1.02 0.00 0.00 32.46 30.21 1br1 n ARG 706 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1br1 n ASN 708 N -1.59 0.59 -0.10 0.00 3.02 -0.46 -4.92 115.26 111.80 1br1 n ASN 708 Ca 0.04 -0.17 -0.01 0.00 -0.03 0.00 0.00 54.58 54.41 1br1 n ASN 708 Cb 0.22 0.87 -0.00 0.00 -0.61 0.00 0.00 39.78 40.26 1br1 n ASN 708 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1br1 n GLY 709 N 1.35 0.38 0.31 7.41 0.00 -1.12 -4.98 105.19 108.54 1br1 n GLY 709 Ca 0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1br1 n GLY 709 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1br1 h VAL 710 N 0.00 0.00 -0.53 1.61 2.07 -1.83 0.29 116.25 117.86 1br1 h VAL 710 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1br1 h VAL 710 Cb 0.65 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.32 1br1 h VAL 710 CO 0.03 0.00 -0.53 -0.07 0.02 0.00 0.00 177.57 177.02 1br1 h LEU 711 N -0.63 -1.80 -0.57 2.57 -0.00 -1.95 0.25 115.31 113.18 1br1 h LEU 711 Ca -0.04 0.26 0.07 0.00 -0.00 0.00 0.00 57.88 58.16 1br1 h LEU 711 Cb 0.54 0.77 -0.06 0.00 -0.00 0.00 0.00 40.66 41.91 1br1 h LEU 711 CO -0.03 -0.36 0.25 -0.33 -0.00 0.00 0.00 178.44 177.97 1br1 h GLU 712 N -0.30 0.46 0.00 1.13 3.07 -1.93 0.58 114.58 117.59 1br1 h GLU 712 Ca 0.11 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1br1 h GLU 712 Cb 0.57 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1br1 h GLU 712 CO -0.67 0.30 0.33 0.78 -1.40 0.00 0.00 179.01 178.35 1br1 h GLY 713 N 0.47 0.00 0.00 -3.84 0.00 0.30 0.13 103.07 100.13 1br1 h GLY 713 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.33 1br1 h GLY 713 CO -0.23 0.00 -2.01 1.39 0.00 0.00 0.00 176.54 175.68 1br1 n ILE 714 N -2.25 1.01 -0.06 2.60 5.41 0.19 -4.44 119.36 121.81 1br1 n ILE 714 Ca -0.01 -0.59 -0.07 0.00 1.00 0.00 0.00 62.75 63.08 1br1 n ILE 714 Cb 0.35 -0.70 -0.01 0.00 -0.71 0.00 0.00 39.64 38.57 1br1 n ILE 714 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1br1 h ARG 715 N 0.00 -0.10 -0.55 0.38 3.08 0.95 -1.75 114.38 116.39 1br1 h ARG 715 Ca -0.40 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 1br1 h ARG 715 Cb 1.86 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.91 1br1 h ARG 715 CO 0.01 -0.07 0.28 0.97 -1.07 0.00 0.00 179.97 180.09 1br1 h ILE 716 N -0.11 1.17 -0.33 2.04 6.09 -1.80 3.47 117.51 128.05 1br1 h ILE 716 Ca 0.14 -0.46 -0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1br1 h ILE 716 Cb 0.32 0.46 -0.02 0.00 0.47 0.00 0.00 36.82 38.05 1br1 h ILE 716 CO -0.34 0.20 0.20 0.00 -3.07 0.00 0.00 178.15 175.14 1br1 n ARG 718 N -4.47 0.70 0.28 0.00 1.85 -0.16 -4.57 116.66 110.28 1br1 n ARG 718 Ca 0.02 0.32 -0.11 0.00 -1.00 0.00 0.00 57.85 57.08 1br1 n ARG 718 Cb 0.08 -1.69 -0.05 0.00 -1.05 0.00 0.00 32.46 29.74 1br1 n ARG 718 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1br1 h GLN 719 N -0.23 -0.72 0.00 2.89 1.08 0.67 -3.47 115.11 115.34 1br1 h GLN 719 Ca -0.43 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1br1 h GLN 719 Cb 1.84 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.43 1br1 h GLN 719 CO -0.02 -0.48 0.00 0.41 -0.95 0.00 0.00 178.83 177.79 1br1 n GLY 720 N -0.48 -0.14 2.87 3.46 0.00 0.33 -5.01 105.19 106.21 1br1 n GLY 720 Ca -0.09 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 1br1 n GLY 720 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1br1 s PHE 721 N 0.20 3.42 -2.00 1.61 0.40 -1.26 -4.75 117.98 115.60 1br1 s PHE 721 Ca 0.00 -3.28 0.01 0.00 -0.60 0.00 0.00 56.93 53.06 1br1 s PHE 721 Cb 0.00 -2.60 0.08 0.00 0.51 0.00 0.00 43.02 41.01 1br1 s PHE 721 CO 0.00 -0.56 0.49 -2.30 0.70 0.00 0.00 175.22 173.55 1br1 n PRO 722 N 2.04 0.05 -4.87 0.24 -0.02 -1.25 -4.53 135.00 126.66 1br1 n PRO 722 Ca 0.20 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.41 1br1 n PRO 722 Cb 0.36 -1.41 -0.16 0.00 -0.02 0.00 0.00 33.50 32.26 1br1 n PRO 722 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1br1 s ASN 723 N -1.99 2.31 0.01 2.55 0.01 -1.22 -5.05 114.94 111.56 1br1 s ASN 723 Ca 0.02 -0.39 -0.03 0.00 -0.71 0.00 0.00 52.86 51.75 1br1 s ASN 723 Cb 0.01 -0.88 -0.01 0.00 0.41 0.00 0.00 41.25 40.78 1br1 s ASN 723 CO 0.02 0.12 0.04 0.00 -1.51 0.00 0.00 177.10 175.76 1br1 s ARG 724 N 0.30 0.38 -0.15 -0.60 1.70 -1.26 0.33 118.95 119.65 1br1 s ARG 724 Ca -0.11 -0.53 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 1br1 s ARG 724 Cb -0.15 0.15 0.05 0.00 -0.57 0.00 0.00 34.95 34.43 1br1 s ARG 724 CO 0.04 -0.08 0.38 -1.50 -1.08 0.00 0.00 175.30 173.07 1br1 s ILE 725 N -1.43 -0.01 0.32 4.99 2.07 -0.01 -4.95 121.20 122.18 1br1 s ILE 725 Ca -0.16 0.05 -0.28 0.00 -1.41 0.00 0.00 60.65 58.85 1br1 s ILE 725 Cb -0.09 -0.55 -0.10 0.00 0.13 0.00 0.00 42.46 41.85 1br1 s ILE 725 CO 0.00 0.02 1.18 0.54 -1.91 0.00 0.00 174.94 174.77 1br1 s VAL 726 N 0.74 3.19 0.57 4.00 0.11 -1.26 0.56 120.40 128.31 1br1 s VAL 726 Ca -0.04 1.15 0.36 0.00 -2.93 0.00 0.00 61.98 60.52 1br1 s VAL 726 Cb -0.05 -3.72 0.53 0.00 -1.53 0.00 0.00 36.38 31.61 1br1 s VAL 726 CO -0.05 0.24 1.38 0.49 -3.33 0.00 0.00 175.10 173.83 1br1 n PHE 727 N 0.84 0.00 -0.06 1.54 3.72 -0.18 -1.51 117.46 121.81 1br1 n PHE 727 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1br1 n PHE 727 Cb 0.44 -0.35 -0.13 0.00 -0.94 0.00 0.00 39.48 38.50 1br1 n PHE 727 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1br1 h GLN 728 N 0.00 0.06 0.00 -1.08 5.75 -1.90 -3.07 115.11 114.87 1br1 h GLN 728 Ca 0.67 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 59.03 1br1 h GLN 728 Cb 3.23 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 31.82 1br1 h GLN 728 CO -0.01 1.05 -0.13 0.93 -2.65 0.00 0.00 178.83 178.03 1br1 h GLU 729 N -0.83 0.00 -0.03 1.69 3.07 -1.66 -1.43 114.58 115.39 1br1 h GLU 729 Ca -0.19 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.60 1br1 h GLU 729 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1br1 h GLU 729 CO -0.05 0.13 -0.28 0.35 -1.40 0.00 0.00 179.01 177.75 1br1 h PHE 730 N 0.00 0.35 0.00 4.33 3.04 -1.55 0.29 116.94 123.40 1br1 h PHE 730 Ca -0.00 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.78 1br1 h PHE 730 Cb 0.30 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1br1 h PHE 730 CO 0.00 0.92 0.00 -2.13 -2.02 0.00 0.00 178.31 175.08 1br1 n ARG 731 N -4.48 0.51 -0.09 1.11 3.00 -1.08 -2.76 116.66 112.86 1br1 n ARG 731 Ca -0.09 0.04 -0.13 0.00 -0.00 0.00 0.00 57.85 57.67 1br1 n ARG 731 Cb 0.50 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.40 1br1 n ARG 731 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1br1 n GLN 732 N -1.14 0.51 0.06 -0.14 -0.06 -0.56 -4.03 117.38 112.03 1br1 n GLN 732 Ca 0.13 0.42 -0.13 0.00 -2.00 0.00 0.00 57.00 55.43 1br1 n GLN 732 Cb 0.12 -1.61 -0.08 0.00 -4.06 0.00 0.00 30.24 24.60 1br1 n GLN 732 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1br1 h ARG 733 N -1.00 -0.13 -0.89 3.69 2.43 -0.95 -3.34 114.38 114.20 1br1 h ARG 733 Ca -0.18 0.01 -0.39 0.00 -0.81 0.00 0.00 59.98 58.61 1br1 h ARG 733 Cb 0.96 0.03 -0.23 0.00 -0.42 0.00 0.00 29.97 30.30 1br1 h ARG 733 CO -0.11 0.13 0.49 0.66 -1.51 0.00 0.00 179.97 179.64 1br1 n TYR 734 N -5.03 2.81 0.07 2.20 4.01 -1.11 -4.40 117.16 115.70 1br1 n TYR 734 Ca -0.08 -1.59 -0.11 0.00 -0.16 0.00 0.00 57.90 55.96 1br1 n TYR 734 Cb 0.18 -0.84 -0.01 0.00 -0.31 0.00 0.00 39.34 38.35 1br1 n TYR 734 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1br1 h GLU 735 N 1.69 0.30 0.00 -0.72 4.81 -1.70 -2.84 114.58 116.12 1br1 h GLU 735 Ca 0.48 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1br1 h GLU 735 Cb 2.65 0.09 0.00 0.00 0.63 0.00 0.00 28.75 32.12 1br1 h GLU 735 CO 0.95 1.01 0.31 0.97 -0.73 0.00 0.00 179.01 181.52 1br1 h ILE 736 N 0.18 0.00 0.22 2.32 2.10 -1.85 0.48 117.51 120.96 1br1 h ILE 736 Ca -0.06 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.56 1br1 h ILE 736 Cb 1.50 0.51 0.03 0.00 -1.09 0.00 0.00 36.82 37.77 1br1 h ILE 736 CO 0.14 0.00 -1.49 -0.07 -1.08 0.00 0.00 178.15 175.66 1br1 h LEU 737 N 0.00 0.74 -7.09 2.19 3.38 -1.83 -3.40 115.31 109.30 1br1 h LEU 737 Ca 0.00 -0.83 -0.62 0.00 0.09 0.00 0.00 57.88 56.52 1br1 h LEU 737 Cb 0.62 -0.24 -0.41 0.00 0.09 0.00 0.00 40.66 40.72 1br1 h LEU 737 CO 0.00 1.66 -0.68 0.00 0.09 0.00 0.00 178.44 179.51 1br1 s ALA 738 N -2.61 2.92 0.10 1.53 0.00 0.17 -4.94 121.76 118.92 1br1 s ALA 738 Ca -0.09 -3.15 0.32 0.00 0.00 0.00 0.00 51.96 49.04 1br1 s ALA 738 Cb 0.05 -2.03 1.27 0.00 0.00 0.00 0.00 23.12 22.41 1br1 s ALA 738 CO 0.92 -2.05 1.95 0.00 0.00 0.00 0.00 175.76 176.58 1br1 h ALA 739 N 6.19 1.01 0.00 0.00 0.00 -1.75 -3.24 119.26 121.48 1br1 h ALA 739 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1br1 h ALA 739 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1br1 h ALA 739 CO 0.60 0.05 -0.05 0.09 0.00 0.00 0.00 179.25 179.94 1br1 n ASN 740 N -3.15 1.94 0.09 0.00 3.02 -1.26 -4.67 115.26 111.23 1br1 n ASN 740 Ca 0.01 -2.63 -0.22 0.00 -0.03 0.00 0.00 54.58 51.70 1br1 n ASN 740 Cb 0.33 -0.29 -0.15 0.00 -0.61 0.00 0.00 39.78 39.06 1br1 n ASN 740 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1br1 h ALA 741 N 0.00 -0.11 -2.91 5.41 0.00 -1.94 -3.43 119.26 116.27 1br1 h ALA 741 Ca 0.00 -0.80 -0.60 0.00 0.00 0.00 0.00 54.91 53.51 1br1 h ALA 741 Cb 0.92 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 1br1 h ALA 741 CO 0.00 0.55 -0.23 0.42 0.00 0.00 0.00 179.25 179.99 1br1 s ILE 742 N -2.51 5.22 0.98 0.00 1.09 -1.26 -4.76 121.20 119.96 1br1 s ILE 742 Ca -0.12 0.68 -0.11 0.00 -1.10 0.00 0.00 60.65 60.00 1br1 s ILE 742 Cb 0.02 -3.71 0.18 0.00 -1.06 0.00 0.00 42.46 37.89 1br1 s ILE 742 CO 0.88 0.28 1.10 -2.84 -0.10 0.00 0.00 174.94 174.27 1br1 s PRO 743 N 1.10 0.53 0.43 2.79 0.02 -1.26 -4.91 135.00 133.70 1br1 s PRO 743 Ca 0.19 1.25 0.13 0.00 0.02 0.00 0.00 61.00 62.58 1br1 s PRO 743 Cb -0.14 -1.69 1.00 0.00 0.02 0.00 0.00 34.50 33.68 1br1 s PRO 743 CO 0.07 -2.87 1.98 -0.22 -0.33 0.00 0.00 177.00 175.63 1br1 h LYS 744 N -2.03 0.44 -7.51 5.54 3.64 -1.97 -3.43 116.57 111.25 1br1 h LYS 744 Ca -0.49 -0.03 -0.44 0.00 -1.27 0.00 0.00 60.65 58.42 1br1 h LYS 744 Cb 1.29 -0.10 0.17 0.00 -0.41 0.00 0.00 32.23 33.18 1br1 h LYS 744 CO 0.46 0.29 0.24 0.20 -2.27 0.00 0.00 179.45 178.37 1br1 s GLY 745 N -3.77 1.62 0.82 5.01 0.00 -1.26 -5.06 107.32 104.68 1br1 s GLY 745 Ca -0.08 -0.83 -0.14 0.00 0.00 0.00 0.00 44.72 43.67 1br1 s GLY 745 CO 0.75 -0.08 0.82 0.69 0.00 0.00 0.00 173.10 175.28 1br1 n PHE 746 N -4.24 -3.74 0.00 1.90 3.72 -1.26 -5.09 117.46 108.74 1br1 n PHE 746 Ca 0.11 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 1br1 n PHE 746 Cb 0.59 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 1br1 n PHE 746 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1br1 n MET 747 N -3.62 0.00 -1.67 -1.08 1.56 -1.26 -4.95 117.12 106.10 1br1 n MET 747 Ca 0.11 0.00 -0.45 0.00 -0.27 0.00 0.00 57.70 57.09 1br1 n MET 747 Cb 0.41 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.75 1br1 n MET 747 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1br1 n ASP 748 N 0.00 3.76 -0.28 6.12 2.03 -1.26 -4.73 116.55 122.19 1br1 n ASP 748 Ca 0.00 0.95 -0.05 0.00 0.52 0.00 0.00 54.79 56.21 1br1 n ASP 748 Cb 0.00 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 38.92 1br1 n ASP 748 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1br1 n GLY 749 N 4.40 -1.66 0.00 0.27 0.00 -1.26 0.95 105.19 107.88 1br1 n GLY 749 Ca 0.21 0.81 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1br1 n GLY 749 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1br1 n LYS 750 N -4.93 0.00 -0.35 1.61 4.81 -1.26 -1.47 118.16 116.56 1br1 n LYS 750 Ca 0.04 0.10 0.03 0.00 -0.87 0.00 0.00 58.31 57.60 1br1 n LYS 750 Cb 0.22 -0.92 0.09 0.00 0.02 0.00 0.00 35.03 34.44 1br1 n LYS 750 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1br1 n GLN 751 N -0.52 -0.15 -0.02 1.64 0.00 -0.99 0.10 117.38 117.44 1br1 n GLN 751 Ca 0.00 1.48 0.22 0.00 -0.00 0.00 0.00 57.00 58.70 1br1 n GLN 751 Cb 0.00 -2.20 0.72 0.00 0.00 0.00 0.00 30.24 28.76 1br1 n GLN 751 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1br1 h ALA 752 N 1.62 2.49 0.00 1.69 0.00 0.60 -0.51 119.26 125.15 1br1 h ALA 752 Ca 0.40 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1br1 h ALA 752 Cb 0.63 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1br1 h ALA 752 CO -0.96 -0.76 -1.61 0.00 0.00 0.00 0.00 179.25 175.91 1br1 h ILE 754 N 0.00 0.50 0.33 0.00 5.03 0.58 -2.22 117.51 121.74 1br1 h ILE 754 Ca -0.12 -0.55 -0.02 0.00 -0.12 0.00 0.00 64.86 64.05 1br1 h ILE 754 Cb 1.33 1.37 0.00 0.00 -3.03 0.00 0.00 36.82 36.50 1br1 h ILE 754 CO 0.02 0.11 -0.16 -0.07 -0.68 0.00 0.00 178.15 177.37 1br1 h LEU 755 N 0.00 -0.38 0.00 1.44 4.07 -1.52 -2.47 115.31 116.45 1br1 h LEU 755 Ca -0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1br1 h LEU 755 Cb 0.36 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1br1 h LEU 755 CO 0.01 -0.12 0.00 1.15 -1.08 0.00 0.00 178.44 178.41 1br1 n MET 756 N -5.20 0.16 0.04 1.13 0.00 -0.86 -0.95 117.12 111.43 1br1 n MET 756 Ca -0.10 0.18 -0.10 0.00 0.00 0.00 0.00 57.70 57.68 1br1 n MET 756 Cb 0.24 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.83 1br1 n MET 756 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1br1 h ILE 757 N 0.00 1.32 0.00 3.17 2.04 -1.11 -3.01 117.51 119.92 1br1 h ILE 757 Ca 0.00 -3.05 -0.15 0.00 1.00 0.00 0.00 64.86 62.66 1br1 h ILE 757 Cb 0.13 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1br1 h ILE 757 CO 0.00 0.79 -0.71 0.11 0.00 0.00 0.00 178.15 178.34 1br1 h LYS 758 N 0.02 0.00 0.00 2.37 1.79 -0.83 -2.43 116.57 117.50 1br1 h LYS 758 Ca -0.15 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1br1 h LYS 758 Cb 1.91 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.55 1br1 h LYS 758 CO 0.12 0.71 -0.08 0.00 -1.08 0.00 0.00 179.45 179.13 1br1 h ALA 759 N 1.29 1.12 -0.12 3.86 0.00 -1.20 -1.09 119.26 123.12 1br1 h ALA 759 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1br1 h ALA 759 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1br1 h ALA 759 CO 0.09 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1br1 n LEU 760 N -3.35 2.55 -4.22 0.00 4.77 -1.10 -4.96 117.00 110.69 1br1 n LEU 760 Ca -0.01 -1.21 -0.36 0.00 -0.03 0.00 0.00 56.01 54.40 1br1 n LEU 760 Cb 0.25 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1br1 n LEU 760 CO 0.28 0.50 -0.02 -0.62 -1.33 0.00 0.00 177.39 176.20 1br1 n GLU 761 N 0.92 -3.19 -1.79 3.23 1.02 -0.41 -4.85 120.64 115.56 1br1 n GLU 761 Ca 0.11 0.37 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 1br1 n GLU 761 Cb 0.42 -5.12 -0.01 0.00 -0.02 0.00 0.00 31.44 26.72 1br1 n GLU 761 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1br1 s LEU 762 N -7.27 4.33 0.14 -4.62 2.01 -1.06 -4.93 118.68 107.29 1br1 s LEU 762 Ca 0.75 3.00 -0.31 0.00 0.01 0.00 0.00 54.13 57.58 1br1 s LEU 762 Cb -0.41 -3.65 -0.08 0.00 0.01 0.00 0.00 46.19 42.06 1br1 s LEU 762 CO 0.93 -0.89 1.37 -0.62 1.01 0.00 0.00 176.35 178.15 1br1 s ASP 763 N 0.18 6.84 0.00 2.29 -1.08 -1.26 -4.84 116.67 118.79 1br1 s ASP 763 Ca 0.58 2.35 0.00 0.00 -0.52 0.00 0.00 52.55 54.96 1br1 s ASP 763 Cb -0.47 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.40 1br1 s ASP 763 CO 0.55 -0.63 0.05 -0.81 0.52 0.00 0.00 175.17 174.86 1br1 n PRO 764 N 3.63 0.08 0.00 4.34 -0.04 -1.26 -0.75 135.00 141.00 1br1 n PRO 764 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1br1 n PRO 764 Cb 0.42 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1br1 n PRO 764 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1br1 n ASN 765 N 0.63 0.69 0.04 3.54 2.85 -1.26 -4.70 115.26 117.06 1br1 n ASN 765 Ca 0.00 -0.18 -0.21 0.00 -0.11 0.00 0.00 54.58 54.08 1br1 n ASN 765 Cb 0.03 0.51 -0.14 0.00 1.24 0.00 0.00 39.78 41.41 1br1 n ASN 765 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1br1 h LEU 766 N 0.00 0.46-10.44 1.20 3.38 -1.32 -3.46 115.31 105.14 1br1 h LEU 766 Ca 0.00 -0.93 -0.51 0.00 0.09 0.00 0.00 57.88 56.54 1br1 h LEU 766 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1br1 h LEU 766 CO 0.00 1.46 -0.23 -0.72 0.09 0.00 0.00 178.44 179.04 1br1 s TYR 767 N -2.45 1.93 -0.28 1.13 -0.85 -1.23 0.24 117.35 115.84 1br1 s TYR 767 Ca -0.15 -0.66 -0.00 0.00 -0.52 0.00 0.00 57.07 55.73 1br1 s TYR 767 Cb 0.02 -2.14 0.17 0.00 0.38 0.00 0.00 41.96 40.38 1br1 s TYR 767 CO 0.82 -0.66 0.50 1.03 -1.52 0.00 0.00 175.55 175.72 1br1 s ARG 768 N -4.41 0.47 0.17 -3.49 3.00 0.14 -4.91 118.95 109.92 1br1 s ARG 768 Ca 0.50 0.69 -0.30 0.00 0.00 0.00 0.00 55.73 56.62 1br1 s ARG 768 Cb -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 34.95 34.89 1br1 s ARG 768 CO 0.31 -0.73 1.09 0.42 0.00 0.00 0.00 175.30 176.40 1br1 s ILE 769 N 2.71 3.91 0.00 1.52 -1.09 -1.26 0.12 121.20 127.11 1br1 s ILE 769 Ca 0.16 1.64 0.00 0.00 -2.23 0.00 0.00 60.65 60.22 1br1 s ILE 769 Cb -0.14 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1br1 s ILE 769 CO -0.21 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1br1 n GLY 770 N 2.08 4.13 0.10 6.18 0.00 -0.62 -4.73 105.19 112.33 1br1 n GLY 770 Ca 0.03 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 1br1 n GLY 770 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1br1 n GLN 771 N 0.00 0.53 -0.00 1.61 0.00 -1.01 -4.74 117.38 113.77 1br1 n GLN 771 Ca 0.00 0.54 0.01 0.00 -0.00 0.00 0.00 57.00 57.55 1br1 n GLN 771 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 30.24 28.50 1br1 n GLN 771 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1br1 n SER 772 N -4.47 4.17 -4.27 1.69 3.41 -1.26 -4.99 113.62 107.89 1br1 n SER 772 Ca -0.26 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.20 1br1 n SER 772 Cb 0.57 1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 65.53 1br1 n SER 772 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1br1 s LYS 773 N -2.24 1.15 -0.07 4.33 -2.85 -1.26 -1.01 119.74 117.79 1br1 s LYS 773 Ca -0.01 -1.53 -0.03 0.00 -1.00 0.00 0.00 55.97 53.39 1br1 s LYS 773 Cb 0.02 -0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.21 1br1 s LYS 773 CO 0.15 -0.02 0.07 0.42 0.10 0.00 0.00 175.35 176.07 1br1 s ILE 774 N -3.43 4.80 -0.36 3.79 1.01 0.19 -1.59 121.20 125.62 1br1 s ILE 774 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1br1 s ILE 774 Cb 0.04 -3.09 0.05 0.00 0.01 0.00 0.00 42.46 39.47 1br1 s ILE 774 CO 0.03 0.54 0.14 -0.36 0.00 0.00 0.00 174.94 175.29 1br1 s PHE 775 N -1.02 3.28 0.47 3.97 0.40 0.33 -0.83 117.98 124.59 1br1 s PHE 775 Ca 0.16 -1.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.07 1br1 s PHE 775 Cb -0.12 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 41.00 1br1 s PHE 775 CO 0.06 -0.75 0.66 -0.06 0.70 0.00 0.00 175.22 175.83 1br1 s PHE 776 N 1.40 2.97 0.30 0.36 0.08 0.15 0.23 117.98 123.48 1br1 s PHE 776 Ca -0.00 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.97 1br1 s PHE 776 Cb -0.20 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 1br1 s PHE 776 CO 0.03 -0.53 0.52 0.50 -0.10 0.00 0.00 175.22 175.63 1br1 s ARG 777 N -4.54 3.53 0.26 0.44 6.06 0.14 -3.37 118.95 121.46 1br1 s ARG 777 Ca 0.53 -0.26 -0.29 0.00 -2.50 0.00 0.00 55.73 53.21 1br1 s ARG 777 Cb -0.10 -2.69 -0.14 0.00 0.06 0.00 0.00 34.95 32.07 1br1 s ARG 777 CO 0.36 0.21 1.05 2.41 -2.50 0.00 0.00 175.30 176.83 1br1 n THR 778 N -1.37 1.70 0.00 4.11 -1.04 -1.26 -1.65 114.28 114.77 1br1 n THR 778 Ca -0.04 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1br1 n THR 778 Cb 0.55 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1br1 n THR 778 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1br1 n GLY 779 N 1.46 2.41 0.36 3.41 0.00 -1.26 -4.79 105.19 106.79 1br1 n GLY 779 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1br1 n GLY 779 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1br1 h VAL 780 N 0.00 0.94 0.00 1.61 2.07 -1.71 -1.35 116.25 117.81 1br1 h VAL 780 Ca 0.00 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.07 1br1 h VAL 780 Cb 0.00 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1br1 h VAL 780 CO 0.00 0.14 -0.95 0.25 0.02 0.00 0.00 177.57 177.03 1br1 h LEU 781 N 0.74 0.00 -0.11 2.57 5.85 -1.87 -3.16 115.31 119.33 1br1 h LEU 781 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1br1 h LEU 781 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1br1 h LEU 781 CO -0.15 0.90 0.07 0.00 -0.34 0.00 0.00 178.44 178.91 1br1 h ALA 782 N 1.10 0.14 -0.76 1.25 0.00 -1.63 -0.80 119.26 118.56 1br1 h ALA 782 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1br1 h ALA 782 Cb 1.70 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1br1 h ALA 782 CO 0.11 -0.35 0.36 1.25 0.00 0.00 0.00 179.25 180.62 1br1 h HIS 783 N 0.13 1.09 -0.85 0.00 -0.00 -1.55 -0.46 115.15 113.53 1br1 h HIS 783 Ca 0.04 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1br1 h HIS 783 Cb 0.01 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.04 1br1 h HIS 783 CO -0.06 0.80 0.45 -0.07 -0.00 0.00 0.00 177.93 179.05 1br1 h LEU 784 N 1.09 1.07 -0.03 0.26 -0.00 -1.44 -1.89 115.31 114.37 1br1 h LEU 784 Ca 0.26 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1br1 h LEU 784 Cb 0.12 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1br1 h LEU 784 CO -0.03 0.87 0.00 -0.08 -0.00 0.00 0.00 178.44 179.20 1br1 h GLU 785 N 1.19 0.06 -0.12 1.13 4.57 -0.30 -2.90 114.58 118.20 1br1 h GLU 785 Ca 0.30 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.48 1br1 h GLU 785 Cb 0.05 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1br1 h GLU 785 CO -0.05 0.32 -0.20 1.49 -1.18 0.00 0.00 179.01 179.39 1br1 h GLU 786 N -0.21 -0.15 -0.97 1.92 4.81 -0.79 -0.57 114.58 118.61 1br1 h GLU 786 Ca 0.01 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1br1 h GLU 786 Cb 0.29 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.57 1br1 h GLU 786 CO 0.00 -0.10 -0.50 0.39 -0.73 0.00 0.00 179.01 178.07 1br1 n GLU 787 N -3.65 -0.35 -0.33 1.92 -0.58 -0.74 0.00 120.64 116.91 1br1 n GLU 787 Ca -0.02 1.47 0.09 0.00 -0.42 0.00 0.00 57.16 58.29 1br1 n GLU 787 Cb 0.13 -2.17 0.26 0.00 -0.57 0.00 0.00 31.44 29.09 1br1 n GLU 787 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1br1 h ARG 788 N 0.00 0.75 0.00 3.49 2.43 -1.19 0.42 114.38 120.29 1br1 h ARG 788 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1br1 h ARG 788 Cb 0.46 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1br1 h ARG 788 CO -0.93 0.50 0.00 -0.44 -1.51 0.00 0.00 179.97 177.59 1br1 h ASP 789 N 0.78 0.00 0.08 -3.80 5.19 0.12 -2.53 116.42 116.26 1br1 h ASP 789 Ca 0.51 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.67 1br1 h ASP 789 Cb 0.69 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 1br1 h ASP 789 CO -0.34 0.00 -1.34 -0.07 -3.12 0.00 0.00 179.24 174.37 1br1 h LEU 790 N 0.00 0.27 -1.62 1.55 4.07 0.68 -2.67 115.31 117.58 1br1 h LEU 790 Ca 0.00 -0.79 0.00 0.00 0.08 0.00 0.00 57.88 57.17 1br1 h LEU 790 Cb 0.41 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1br1 h LEU 790 CO 0.00 1.57 0.22 0.11 -1.08 0.00 0.00 178.44 179.26 1br1 h LYS 791 N -0.48 0.00 0.00 1.13 1.79 0.03 -2.37 116.57 116.67 1br1 h LYS 791 Ca -0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1br1 h LYS 791 Cb 1.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 1br1 h LYS 791 CO -0.01 0.00 0.00 0.44 -1.08 0.00 0.00 179.45 178.80 1br1 n ILE 792 N -2.50 0.00 0.01 1.86 -5.35 -1.00 -4.86 119.36 107.51 1br1 n ILE 792 Ca -0.02 -0.43 -0.09 0.00 -0.27 0.00 0.00 62.75 61.94 1br1 n ILE 792 Cb 0.26 1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 39.18 1br1 n ILE 792 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1br1 h THR 793 N 0.09 0.00 -0.91 7.28 1.35 -1.05 -1.57 112.91 118.08 1br1 h THR 793 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 1br1 h THR 793 Cb 0.04 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.35 1br1 h THR 793 CO 0.00 0.00 -0.56 -2.24 -0.25 0.00 0.00 175.52 172.47 1br1 h ASP 794 N -0.38 -2.05 -0.75 5.36 3.04 -1.89 0.87 116.42 120.62 1br1 h ASP 794 Ca 0.01 0.31 0.17 0.00 -3.24 0.00 0.00 57.03 54.28 1br1 h ASP 794 Cb 0.42 0.90 -0.12 0.00 -1.04 0.00 0.00 39.33 39.50 1br1 h ASP 794 CO -0.24 -0.23 0.15 0.58 -2.04 0.00 0.00 179.24 177.46 1br1 h VAL 795 N -0.03 0.47 0.00 4.15 2.07 -1.85 1.42 116.25 122.48 1br1 h VAL 795 Ca 0.15 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1br1 h VAL 795 Cb 0.40 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1br1 h VAL 795 CO -0.87 0.04 -0.00 0.40 0.02 0.00 0.00 177.57 177.16 1br1 h ILE 796 N 0.23 1.06 -0.45 4.57 1.08 0.52 0.36 117.51 124.88 1br1 h ILE 796 Ca 0.42 -0.18 0.09 0.00 -0.39 0.00 0.00 64.86 64.80 1br1 h ILE 796 Cb 0.74 1.18 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 1br1 h ILE 796 CO -0.55 0.05 -0.01 0.40 -0.69 0.00 0.00 178.15 177.35 1br1 h ILE 797 N -0.08 0.65 0.33 -0.67 2.04 0.53 0.77 117.51 121.08 1br1 h ILE 797 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1br1 h ILE 797 Cb 0.08 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1br1 h ILE 797 CO 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 178.15 177.77 1br1 h ALA 798 N 1.40 -0.83 0.28 1.87 0.00 0.23 -2.57 119.26 119.64 1br1 h ALA 798 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1br1 h ALA 798 Cb 0.33 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1br1 h ALA 798 CO -0.38 -1.01 -0.19 0.35 0.00 0.00 0.00 179.25 178.02 1br1 h PHE 799 N -0.77 -0.49 -1.00 0.00 3.57 0.36 -2.47 116.94 116.13 1br1 h PHE 799 Ca -0.02 -0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.83 1br1 h PHE 799 Cb 0.71 0.18 -0.18 0.00 2.79 0.00 0.00 35.95 39.45 1br1 h PHE 799 CO -0.25 -0.29 0.33 1.96 -2.23 0.00 0.00 178.31 177.83 1br1 h GLN 800 N -0.46 0.01 0.17 1.11 4.20 0.67 -1.83 115.11 118.98 1br1 h GLN 800 Ca -0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1br1 h GLN 800 Cb 0.39 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1br1 h GLN 800 CO 0.01 0.01 -0.16 0.00 -0.67 0.00 0.00 178.83 178.03 1br1 h ALA 801 N 1.99 -0.90 -1.44 3.87 0.00 -1.03 -1.66 119.26 120.09 1br1 h ALA 801 Ca 0.75 -0.06 0.42 0.00 0.00 0.00 0.00 54.91 56.02 1br1 h ALA 801 Cb 1.82 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.91 1br1 h ALA 801 CO -0.83 -0.91 1.00 1.96 0.00 0.00 0.00 179.25 180.48 1br1 h GLN 802 N -0.32 0.06 -0.01 0.00 1.08 -1.34 0.44 115.11 115.02 1br1 h GLN 802 Ca -0.02 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1br1 h GLN 802 Cb 0.28 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1br1 h GLN 802 CO -0.01 0.04 -0.00 0.00 -0.95 0.00 0.00 178.83 177.91 1br1 h ARG 804 N -0.39 0.58 0.00 0.00 3.08 0.64 0.78 114.38 119.07 1br1 h ARG 804 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1br1 h ARG 804 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1br1 h ARG 804 CO 0.00 0.46 0.00 0.41 -1.07 0.00 0.00 179.97 179.77 1br1 n GLY 805 N -1.25 -2.62 0.22 0.04 0.00 0.56 -0.74 105.19 101.40 1br1 n GLY 805 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1br1 n GLY 805 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1br1 h TYR 806 N 0.00 -0.91 0.00 1.61 5.03 0.62 1.00 116.97 124.33 1br1 h TYR 806 Ca 0.00 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1br1 h TYR 806 Cb 0.00 0.45 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1br1 h TYR 806 CO 0.13 -0.21 0.58 1.25 -1.32 0.00 0.00 178.16 178.59 1br1 h LEU 807 N -0.08 0.00 0.00 2.82 6.46 0.52 -2.89 115.31 122.15 1br1 h LEU 807 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1br1 h LEU 807 Cb 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1br1 h LEU 807 CO -0.40 0.00 -0.56 0.00 -0.62 0.00 0.00 178.44 176.87 1br1 n ALA 808 N -1.57 0.49 -0.50 1.25 0.00 0.34 -3.87 120.51 116.65 1br1 n ALA 808 Ca -0.01 -0.52 0.41 0.00 0.00 0.00 0.00 53.44 53.32 1br1 n ALA 808 Cb 0.60 0.02 0.72 0.00 0.00 0.00 0.00 19.45 20.79 1br1 n ALA 808 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1br1 h ARG 809 N -0.67 0.06 0.06 0.00 -0.00 -1.06 -1.67 114.38 111.10 1br1 h ARG 809 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1br1 h ARG 809 Cb 0.56 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.51 1br1 h ARG 809 CO 0.00 0.04 -0.03 0.87 -0.00 0.00 0.00 179.97 180.85 1br1 h LYS 810 N 0.06 -0.08 0.00 0.08 1.79 -1.73 -2.52 116.57 114.17 1br1 h LYS 810 Ca 0.80 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 1br1 h LYS 810 Cb 2.85 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 33.52 1br1 h LYS 810 CO -0.20 0.50 0.00 0.00 -1.08 0.00 0.00 179.45 178.67 1br1 n ALA 811 N -2.59 1.50 -0.10 3.86 0.00 -0.68 -2.44 120.51 120.06 1br1 n ALA 811 Ca -0.07 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 1br1 n ALA 811 Cb 0.30 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1br1 n ALA 811 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1br1 h PHE 812 N 0.00 0.00 0.00 0.00 3.57 -1.51 -3.26 116.94 115.74 1br1 h PHE 812 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1br1 h PHE 812 Cb 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1br1 h PHE 812 CO 0.00 1.29 0.00 0.00 -2.23 0.00 0.00 178.31 177.37 1br1 n ALA 813 N -3.27 1.61 -0.13 2.41 0.00 -0.95 -1.05 120.51 119.13 1br1 n ALA 813 Ca -0.26 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 1br1 n ALA 813 Cb 0.61 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 1br1 n ALA 813 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1br1 n LYS 814 N -0.62 0.57 0.19 0.00 -0.00 -1.02 -4.15 118.16 113.13 1br1 n LYS 814 Ca 0.01 0.27 0.11 0.00 -0.00 0.00 0.00 58.31 58.69 1br1 n LYS 814 Cb 0.00 -1.49 0.59 0.00 -0.00 0.00 0.00 35.03 34.14 1br1 n LYS 814 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1br1 h ARG 815 N -1.00 0.00 0.00 -1.58 9.65 -1.14 0.46 114.38 120.77 1br1 h ARG 815 Ca -0.53 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.22 1br1 h ARG 815 Cb 1.46 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.02 1br1 h ARG 815 CO -0.32 0.00 -0.61 0.37 2.80 0.00 0.00 179.97 182.20 1br1 h GLN 816 N 0.00 0.00 -0.04 0.20 4.15 -1.66 -2.80 115.11 114.96 1br1 h GLN 816 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1br1 h GLN 816 Cb 0.22 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.92 1br1 h GLN 816 CO 0.00 0.61 -0.60 -0.56 -1.93 0.00 0.00 178.83 176.36 1br1 h GLN 817 N 0.00 0.48 0.00 1.69 3.07 -0.24 0.32 115.11 120.44 1br1 h GLN 817 Ca -0.01 -0.46 -0.00 0.00 0.09 0.00 0.00 58.65 58.27 1br1 h GLN 817 Cb 1.12 0.12 -0.00 0.00 0.08 0.00 0.00 27.48 28.80 1br1 h GLN 817 CO 0.08 1.10 -0.00 -0.56 0.09 0.00 0.00 178.83 179.54 1br1 h GLN 818 N 0.04 0.00 0.03 0.06 -0.00 -1.58 0.41 115.11 114.06 1br1 h GLN 818 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.48 1br1 h GLN 818 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.75 1br1 h GLN 818 CO 0.12 0.00 -0.57 1.25 -0.00 0.00 0.00 178.83 179.63 1br1 h LEU 819 N 0.00 0.08 -0.60 0.06 5.85 -1.24 -3.25 115.31 116.22 1br1 h LEU 819 Ca -0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 1br1 h LEU 819 Cb 0.24 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1br1 h LEU 819 CO 0.00 1.24 0.00 0.61 -0.34 0.00 0.00 178.44 179.95 1br1 n GLY 820 N 1.58 0.43 0.80 3.75 0.00 0.11 -5.10 105.19 106.77 1br1 n GLY 820 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1br1 n GLY 820 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76