#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3br9 s MET 2 N 0.00 4.27 0.27 4.33 -1.94 -1.26 -1.05 119.30 123.93 3br9 s MET 2 Ca 0.00 1.98 0.01 0.00 -1.71 0.00 0.00 55.69 55.97 3br9 s MET 2 Cb 0.00 -3.60 0.60 0.00 2.01 0.00 0.00 34.83 33.84 3br9 s MET 2 CO 0.00 -0.60 1.76 0.66 -0.01 0.00 0.00 175.02 176.83 3br9 h SER 3 N 7.94 0.55 -4.55 3.03 4.64 -1.09 -3.39 113.55 120.68 3br9 h SER 3 Ca -0.38 0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 60.85 3br9 h SER 3 Cb 1.18 0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 3br9 h SER 3 CO 0.91 0.20 -0.71 -0.31 -0.87 0.00 0.00 176.83 176.05 3br9 s TYR 4 N -5.94 0.20 -0.08 4.77 2.02 -1.26 0.02 117.35 117.09 3br9 s TYR 4 Ca -0.12 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.28 3br9 s TYR 4 Cb 0.23 -0.14 -0.00 0.00 -0.40 0.00 0.00 41.96 41.64 3br9 s TYR 4 CO 0.78 -0.12 -0.23 0.99 -1.57 0.00 0.00 175.55 175.41 3br9 s THR 5 N -0.97 1.91 0.15 -0.71 2.01 -0.18 -4.81 115.64 113.03 3br9 s THR 5 Ca -0.10 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.02 3br9 s THR 5 Cb -0.07 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3br9 s THR 5 CO -0.01 0.53 -0.10 0.26 -0.69 0.00 0.00 174.62 174.62 3br9 s TRP 6 N 0.17 2.67 -0.13 4.92 0.52 -1.26 0.33 118.94 126.17 3br9 s TRP 6 Ca -0.12 -0.20 0.18 0.00 0.02 0.00 0.00 56.10 55.99 3br9 s TRP 6 Cb -0.16 -1.35 -0.21 0.00 -1.15 0.00 0.00 33.47 30.61 3br9 s TRP 6 CO 0.06 0.47 0.54 0.25 0.02 0.00 0.00 176.95 178.29 3br9 n THR 7 N 0.31 0.97 0.00 2.01 -2.24 0.16 -4.85 114.28 110.64 3br9 n THR 7 Ca -0.12 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3br9 n THR 7 Cb 0.54 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 3br9 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3br9 n GLY 8 N 1.46 2.78 3.73 3.38 0.00 -1.26 -5.04 105.19 110.23 3br9 n GLY 8 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3br9 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3br9 n ALA 9 N -0.87 1.64 -2.03 4.61 0.00 -1.26 -4.97 120.51 117.63 3br9 n ALA 9 Ca 0.00 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3br9 n ALA 9 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.06 3br9 n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3br9 s LEU 10 N -2.17 4.09 -0.17 0.00 1.43 -1.26 -4.77 118.68 115.83 3br9 s LEU 10 Ca 0.61 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 3br9 s LEU 10 Cb -0.48 -4.12 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 3br9 s LEU 10 CO 0.58 -0.20 1.25 -0.63 0.23 0.00 0.00 176.35 177.57 3br9 s ILE 11 N -1.94 4.31 0.03 -0.59 1.01 -1.26 -4.79 121.20 117.97 3br9 s ILE 11 Ca 0.54 1.58 0.04 0.00 0.00 0.00 0.00 60.65 62.82 3br9 s ILE 11 Cb -0.11 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3br9 s ILE 11 CO 0.17 -0.14 -0.08 0.42 0.00 0.00 0.00 174.94 175.31 3br9 s THR 12 N 3.45 3.52 0.70 2.92 -4.23 -1.26 -4.87 115.64 115.88 3br9 s THR 12 Ca 0.54 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 3br9 s THR 12 Cb -0.21 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.09 3br9 s THR 12 CO 0.14 0.33 1.06 -2.16 -0.54 0.00 0.00 174.62 173.45 3br9 s PRO 13 N -1.60 2.86 -0.12 3.99 0.04 -1.26 -4.27 135.00 134.65 3br9 s PRO 13 Ca 0.18 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 3br9 s PRO 13 Cb -0.11 -1.99 -0.26 0.00 0.04 0.00 0.00 34.50 32.18 3br9 s PRO 13 CO 0.09 -1.13 0.43 0.00 0.04 0.00 0.00 177.00 176.43 3br9 s ALA 15 N -2.51 2.35 0.53 0.00 0.00 -1.26 -5.12 121.76 115.75 3br9 s ALA 15 Ca -0.22 -1.81 -0.22 0.00 0.00 0.00 0.00 51.96 49.71 3br9 s ALA 15 Cb 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 3br9 s ALA 15 CO 0.75 0.08 1.25 0.00 0.00 0.00 0.00 175.76 177.84 3br9 n ALA 16 N -0.52 1.21 -2.55 0.00 0.00 -1.26 -5.00 120.51 112.39 3br9 n ALA 16 Ca -0.06 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 3br9 n ALA 16 Cb 0.61 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.62 3br9 n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3br9 s GLU 17 N -2.70 2.36 -0.15 0.00 2.02 -1.26 -5.11 118.70 113.86 3br9 s GLU 17 Ca 0.70 -0.91 -0.10 0.00 0.02 0.00 0.00 54.97 54.68 3br9 s GLU 17 Cb -0.44 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 3br9 s GLU 17 CO 0.51 0.46 0.19 -1.21 0.02 0.00 0.00 175.26 175.23 3br9 s GLU 18 N -0.37 3.93 -0.06 1.61 2.02 -1.26 -4.96 118.70 119.61 3br9 s GLU 18 Ca 0.03 -0.08 0.15 0.00 0.02 0.00 0.00 54.97 55.09 3br9 s GLU 18 Cb -0.12 -3.33 -0.23 0.00 0.10 0.00 0.00 34.13 30.55 3br9 s GLU 18 CO 0.02 0.48 0.26 -1.13 0.02 0.00 0.00 175.26 174.90 3br9 n SER 19 N 2.88 1.27 -4.82 -0.19 3.41 -1.26 -4.48 113.62 110.43 3br9 n SER 19 Ca -0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.07 3br9 n SER 19 Cb 0.53 1.46 -0.06 0.00 -0.26 0.00 0.00 64.21 65.88 3br9 n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3br9 s LYS 20 N -2.89 4.11 -0.18 4.33 -0.14 -1.26 -0.75 119.74 122.96 3br9 s LYS 20 Ca -0.06 0.63 -0.34 0.00 -1.36 0.00 0.00 55.97 54.84 3br9 s LYS 20 Cb 0.09 -3.21 -0.11 0.00 -1.68 0.00 0.00 37.83 32.92 3br9 s LYS 20 CO 0.66 0.64 2.00 -0.11 -0.76 0.00 0.00 175.35 177.78 3br9 n LEU 21 N 1.66 3.09 -4.75 3.17 7.94 -1.24 -4.88 117.00 121.99 3br9 n LEU 21 Ca -0.11 0.73 -0.41 0.00 -1.11 0.00 0.00 56.01 55.10 3br9 n LEU 21 Cb 0.51 -1.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.08 3br9 n LEU 21 CO 0.40 -0.32 1.17 -2.84 -1.11 0.00 0.00 177.39 174.70 3br9 s PRO 22 N 4.93 4.19 -0.14 1.96 0.02 -1.26 -5.00 135.00 139.70 3br9 s PRO 22 Ca 0.98 2.45 0.01 0.00 0.02 0.00 0.00 61.00 64.47 3br9 s PRO 22 Cb -0.69 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 30.77 3br9 s PRO 22 CO 0.49 -0.53 -0.17 0.42 -0.33 0.00 0.00 177.00 176.89 3br9 s ILE 23 N -0.10 2.59 0.00 2.83 -1.09 -1.26 -4.65 121.20 119.52 3br9 s ILE 23 Ca 0.61 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3br9 s ILE 23 Cb -0.45 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 3br9 s ILE 23 CO 0.47 0.53 0.00 -0.46 -1.23 0.00 0.00 174.94 174.25 3br9 n ASN 24 N 3.85 1.57 0.09 3.58 6.94 -1.26 -5.00 115.26 125.04 3br9 n ASN 24 Ca -0.19 -0.79 0.12 0.00 -0.02 0.00 0.00 54.58 53.70 3br9 n ASN 24 Cb 0.52 0.00 0.45 0.00 -2.36 0.00 0.00 39.78 38.39 3br9 n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3br9 n ALA 25 N -3.00 1.88 0.05 -2.53 0.00 -1.26 -2.83 120.51 112.83 3br9 n ALA 25 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.56 3br9 n ALA 25 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 3br9 n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3br9 n LEU 26 N -2.05 0.50 -0.13 0.00 4.77 -1.26 -4.57 117.00 114.27 3br9 n LEU 26 Ca 0.04 0.20 -0.05 0.00 -0.03 0.00 0.00 56.01 56.16 3br9 n LEU 26 Cb 0.28 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3br9 n LEU 26 CO 0.22 -0.10 0.73 0.28 -1.33 0.00 0.00 177.39 177.19 3br9 h SER 27 N 0.00 -0.64 0.31 -1.43 0.02 -1.85 -2.02 113.55 107.94 3br9 h SER 27 Ca -0.01 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3br9 h SER 27 Cb 1.03 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 3br9 h SER 27 CO 0.00 -0.22 -0.12 0.78 -1.14 0.00 0.00 176.83 176.13 3br9 h ASN 28 N -0.10 0.00 0.37 3.07 2.35 -1.79 -0.02 115.58 119.46 3br9 h ASN 28 Ca 0.21 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3br9 h ASN 28 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3br9 h ASN 28 CO -0.49 0.12 -0.30 0.77 -1.65 0.00 0.00 177.43 175.88 3br9 h SER 29 N 0.00 0.00 0.06 5.81 4.64 -1.65 -3.24 113.55 119.18 3br9 h SER 29 Ca -0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 3br9 h SER 29 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3br9 h SER 29 CO 0.02 0.30 -1.39 0.25 -0.87 0.00 0.00 176.83 175.13 3br9 h LEU 30 N 0.00 0.21 -7.27 5.97 5.85 -1.09 -3.42 115.31 115.55 3br9 h LEU 30 Ca -0.00 -0.74 -0.13 0.00 0.84 0.00 0.00 57.88 57.85 3br9 h LEU 30 Cb 0.56 -0.07 -0.26 0.00 0.37 0.00 0.00 40.66 41.26 3br9 h LEU 30 CO 0.04 1.58 -0.30 -0.22 -0.34 0.00 0.00 178.44 179.20 3br9 s LEU 31 N -7.62 0.16 -0.12 2.25 2.96 -0.25 -4.16 118.68 111.89 3br9 s LEU 31 Ca -0.24 0.82 0.17 0.00 -0.22 0.00 0.00 54.13 54.66 3br9 s LEU 31 Cb 0.05 1.28 -0.25 0.00 0.50 0.00 0.00 46.19 47.77 3br9 s LEU 31 CO 0.69 -0.17 0.20 0.54 -1.32 0.00 0.00 176.35 176.29 3br9 n ARG 32 N 3.79 0.87 -2.61 1.98 5.12 -0.41 -3.78 116.66 121.63 3br9 n ARG 32 Ca -0.20 -0.07 -0.43 0.00 -1.93 0.00 0.00 57.85 55.22 3br9 n ARG 32 Cb 0.56 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 3br9 n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3br9 n HIS 33 N -2.49 3.60 0.25 -1.55 8.25 0.61 -4.78 115.22 119.12 3br9 n HIS 33 Ca -0.20 -2.99 0.09 0.00 -0.26 0.00 0.00 57.72 54.36 3br9 n HIS 33 Cb 0.88 -1.96 0.63 0.00 1.12 0.00 0.00 29.99 30.66 3br9 n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3br9 h HIS 34 N 6.18 0.00 0.00 4.41 3.86 -1.86 -1.72 115.15 126.02 3br9 h HIS 34 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3br9 h HIS 34 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3br9 h HIS 34 CO 1.17 0.15 0.00 0.27 0.86 0.00 0.00 177.93 180.38 3br9 n ASN 35 N -3.96 0.00 0.09 2.45 0.23 -1.26 -2.73 115.26 110.07 3br9 n ASN 35 Ca -0.02 0.45 0.13 0.00 -0.53 0.00 0.00 54.58 54.60 3br9 n ASN 35 Cb 0.24 -0.48 0.33 0.00 -2.08 0.00 0.00 39.78 37.79 3br9 n ASN 35 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3br9 n MET 36 N -1.48 0.27 -4.36 -3.83 2.81 -0.65 -4.80 117.12 105.08 3br9 n MET 36 Ca 0.05 0.17 -0.34 0.00 -1.81 0.00 0.00 57.70 55.77 3br9 n MET 36 Cb 0.21 -1.76 -0.12 0.00 -0.71 0.00 0.00 33.22 30.84 3br9 n MET 36 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3br9 s VAL 37 N -3.12 4.01 0.06 2.03 1.01 -1.11 -0.00 120.40 123.29 3br9 s VAL 37 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3br9 s VAL 37 Cb 0.13 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3br9 s VAL 37 CO 0.64 0.50 0.08 -0.72 0.00 0.00 0.00 175.10 175.60 3br9 s TYR 38 N 0.25 0.32 -0.02 5.22 1.13 -0.77 -3.61 117.35 119.87 3br9 s TYR 38 Ca -0.02 -0.78 0.01 0.00 -1.41 0.00 0.00 57.07 54.88 3br9 s TYR 38 Cb -0.14 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.48 3br9 s TYR 38 CO 0.03 -0.45 -0.03 0.00 -2.51 0.00 0.00 175.55 172.59 3br9 s ALA 39 N -3.70 3.14 0.50 9.51 0.00 0.07 -0.73 121.76 130.55 3br9 s ALA 39 Ca 0.04 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 3br9 s ALA 39 Cb 0.05 -1.27 -0.07 0.00 0.00 0.00 0.00 23.12 21.83 3br9 s ALA 39 CO -0.10 0.62 1.08 0.95 0.00 0.00 0.00 175.76 178.31 3br9 s THR 40 N -0.98 3.49 0.24 0.00 -4.23 0.88 -4.44 115.64 110.59 3br9 s THR 40 Ca 0.17 0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 61.63 3br9 s THR 40 Cb -0.11 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 3br9 s THR 40 CO 0.07 -0.17 0.21 0.42 -0.54 0.00 0.00 174.62 174.61 3br9 s THR 41 N -1.83 0.00 0.66 3.99 -4.23 -1.26 -3.70 115.64 109.27 3br9 s THR 41 Ca 0.68 -1.93 0.36 0.00 -1.18 0.00 0.00 61.69 59.63 3br9 s THR 41 Cb -0.21 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.52 3br9 s THR 41 CO 0.24 0.00 2.13 0.77 -0.54 0.00 0.00 174.62 177.22 3br9 h SER 42 N 2.47 0.00 0.17 3.99 4.64 -1.87 -2.52 113.55 120.42 3br9 h SER 42 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3br9 h SER 42 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3br9 h SER 42 CO 0.47 0.00 0.00 -0.09 -0.87 0.00 0.00 176.83 176.34 3br9 h ARG 43 N 0.00 0.00 -0.26 4.77 9.65 -1.95 -0.12 114.38 126.47 3br9 h ARG 43 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3br9 h ARG 43 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3br9 h ARG 43 CO -0.00 0.00 0.00 -1.13 2.80 0.00 0.00 179.97 181.64 3br9 n SER 44 N -2.76 2.65 -0.15 -3.80 3.41 -0.95 -4.67 113.62 107.35 3br9 n SER 44 Ca -0.02 -1.88 0.07 0.00 -0.26 0.00 0.00 58.87 56.78 3br9 n SER 44 Cb 0.10 -0.17 0.38 0.00 -0.26 0.00 0.00 64.21 64.26 3br9 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3br9 h ALA 45 N 1.92 1.74 -0.84 7.33 0.00 -1.13 -2.08 119.26 126.20 3br9 h ALA 45 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3br9 h ALA 45 Cb 0.66 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3br9 h ALA 45 CO 0.00 0.15 0.53 0.78 0.00 0.00 0.00 179.25 180.71 3br9 h GLY 46 N 0.69 1.20 1.01 0.00 0.00 -1.83 -0.13 103.07 104.01 3br9 h GLY 46 Ca 0.29 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 3br9 h GLY 46 CO -0.09 0.46 0.01 1.41 0.00 0.00 0.00 176.54 178.33 3br9 h LEU 47 N 1.15 0.86 -0.54 3.11 4.07 -1.73 -2.02 115.31 120.20 3br9 h LEU 47 Ca 0.30 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3br9 h LEU 47 Cb -0.09 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.40 3br9 h LEU 47 CO -0.06 0.95 0.25 -0.09 -1.08 0.00 0.00 178.44 178.41 3br9 h ARG 48 N 0.74 0.78 -0.48 1.13 9.65 -1.22 -1.74 114.38 123.24 3br9 h ARG 48 Ca 0.14 -0.12 0.08 0.00 -1.10 0.00 0.00 59.98 58.98 3br9 h ARG 48 Cb 0.51 -0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 28.89 3br9 h ARG 48 CO 0.02 0.66 0.12 1.96 2.80 0.00 0.00 179.97 185.53 3br9 h GLN 49 N 0.73 0.26 -0.05 0.20 4.20 -0.80 0.20 115.11 119.85 3br9 h GLN 49 Ca 0.18 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.91 3br9 h GLN 49 Cb 0.14 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3br9 h GLN 49 CO -0.02 0.17 -0.18 0.87 -0.67 0.00 0.00 178.83 179.00 3br9 h LYS 50 N 0.26 -0.26 -0.41 1.46 1.57 -1.19 -2.19 116.57 115.81 3br9 h LYS 50 Ca 0.24 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.12 3br9 h LYS 50 Cb 0.30 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 3br9 h LYS 50 CO -0.29 -0.17 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.11 3br9 h LYS 51 N -0.27 0.01 -0.00 3.15 3.64 -0.23 -2.93 116.57 119.95 3br9 h LYS 51 Ca 0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3br9 h LYS 51 Cb 0.37 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3br9 h LYS 51 CO -0.20 0.01 -0.08 1.33 -2.27 0.00 0.00 179.45 178.23 3br9 n VAL 52 N -5.30 0.00 -3.39 2.00 0.24 0.56 -4.73 118.33 107.71 3br9 n VAL 52 Ca 0.03 -0.08 -0.44 0.00 -2.04 0.00 0.00 64.34 61.80 3br9 n VAL 52 Cb 0.22 -0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.47 3br9 n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3br9 s THR 53 N -2.34 5.02 0.23 3.34 2.01 -0.86 -4.66 115.64 118.37 3br9 s THR 53 Ca 0.33 -1.38 -0.17 0.00 0.31 0.00 0.00 61.69 60.78 3br9 s THR 53 Cb 0.20 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.60 3br9 s THR 53 CO 0.44 -0.73 0.55 0.72 -0.69 0.00 0.00 174.62 174.92 3br9 s PHE 54 N 1.57 -0.01 -0.05 4.92 -0.71 -1.26 -4.95 117.98 117.49 3br9 s PHE 54 Ca 0.04 -0.36 -0.25 0.00 -1.04 0.00 0.00 56.93 55.32 3br9 s PHE 54 Cb -0.27 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 3br9 s PHE 54 CO 0.04 -1.00 0.75 0.34 -1.34 0.00 0.00 175.22 174.01 3br9 s ASP 55 N -2.92 7.07 -0.20 1.98 2.15 -1.26 -0.50 116.67 122.98 3br9 s ASP 55 Ca 0.13 1.28 -0.09 0.00 0.43 0.00 0.00 52.55 54.30 3br9 s ASP 55 Cb -0.02 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 3br9 s ASP 55 CO 0.02 -0.14 0.10 -0.13 -0.17 0.00 0.00 175.17 174.86 3br9 s ARG 56 N 0.81 4.04 0.09 4.34 3.00 -0.21 -4.91 118.95 126.11 3br9 s ARG 56 Ca 0.40 -0.30 0.06 0.00 0.00 0.00 0.00 55.73 55.89 3br9 s ARG 56 Cb -0.18 -3.35 -0.04 0.00 0.00 0.00 0.00 34.95 31.38 3br9 s ARG 56 CO 0.20 0.22 -0.05 -0.51 0.00 0.00 0.00 175.30 175.16 3br9 s LEU 57 N 0.57 3.27 -0.02 2.53 1.43 -1.26 -2.19 118.68 123.00 3br9 s LEU 57 Ca 0.06 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3br9 s LEU 57 Cb -0.12 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3br9 s LEU 57 CO 0.01 0.19 0.04 -1.58 0.23 0.00 0.00 176.35 175.23 3br9 s GLN 58 N -2.19 -0.03 -0.18 1.70 0.74 -1.26 -4.06 119.66 114.38 3br9 s GLN 58 Ca 0.23 0.20 -0.01 0.00 0.05 0.00 0.00 55.36 55.84 3br9 s GLN 58 Cb -0.11 -0.24 0.05 0.00 1.10 0.00 0.00 33.01 33.81 3br9 s GLN 58 CO 0.15 -0.17 -0.04 0.08 -0.55 0.00 0.00 175.29 174.77 3br9 s VAL 59 N 1.06 1.13 -0.20 1.34 1.01 0.62 -5.03 120.40 120.33 3br9 s VAL 59 Ca -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3br9 s VAL 59 Cb -0.13 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3br9 s VAL 59 CO -0.03 0.03 -0.02 -0.76 0.00 0.00 0.00 175.10 174.32 3br9 s LEU 60 N 1.61 3.09 0.00 3.92 1.43 -1.26 -4.36 118.68 123.11 3br9 s LEU 60 Ca -0.01 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3br9 s LEU 60 Cb -0.16 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.30 3br9 s LEU 60 CO -0.07 0.04 0.23 -0.90 0.23 0.00 0.00 176.35 175.88 3br9 n ASP 61 N 4.39 2.29 -0.06 2.29 5.75 -1.26 -4.99 116.55 124.96 3br9 n ASP 61 Ca -0.18 -2.30 -0.04 0.00 -0.01 0.00 0.00 54.79 52.26 3br9 n ASP 61 Cb 0.52 0.01 0.17 0.00 -1.03 0.00 0.00 41.12 40.79 3br9 n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3br9 h ASP 62 N 0.50 0.67 -0.62 -1.12 3.32 -1.98 -2.46 116.42 114.72 3br9 h ASP 62 Ca -0.24 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 56.69 3br9 h ASP 62 Cb 0.85 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 3br9 h ASP 62 CO 0.38 0.81 0.30 0.45 -1.72 0.00 0.00 179.24 179.46 3br9 h HIS 63 N 0.62 0.54 -0.14 4.55 3.86 -1.96 0.32 115.15 122.94 3br9 h HIS 63 Ca 0.11 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3br9 h HIS 63 Cb 0.56 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 3br9 h HIS 63 CO 0.03 0.22 -0.03 -0.92 0.86 0.00 0.00 177.93 178.08 3br9 h TYR 64 N 0.55 -0.07 -0.24 2.45 3.20 -1.79 -0.40 116.97 120.66 3br9 h TYR 64 Ca 0.29 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 3br9 h TYR 64 Cb 0.26 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3br9 h TYR 64 CO -0.11 -0.06 -0.29 0.00 -1.64 0.00 0.00 178.16 176.05 3br9 h ARG 65 N 0.00 0.49 -0.13 1.82 3.08 -1.14 -1.21 114.38 117.30 3br9 h ARG 65 Ca 0.07 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3br9 h ARG 65 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3br9 h ARG 65 CO -0.14 0.74 0.03 -0.44 -1.07 0.00 0.00 179.97 179.09 3br9 h ASP 66 N 0.43 0.20 -0.63 7.04 3.32 -0.06 -0.12 116.42 126.59 3br9 h ASP 66 Ca 0.06 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.91 3br9 h ASP 66 Cb 0.73 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3br9 h ASP 66 CO 0.06 0.38 0.38 0.58 -1.72 0.00 0.00 179.24 178.92 3br9 h VAL 67 N 0.01 1.06 -0.67 -1.35 2.07 -1.00 -2.07 116.25 114.30 3br9 h VAL 67 Ca 0.04 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3br9 h VAL 67 Cb 0.26 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3br9 h VAL 67 CO 0.00 0.14 0.20 0.25 0.02 0.00 0.00 177.57 178.18 3br9 h LEU 68 N 0.75 0.99 -0.59 2.57 5.85 -1.05 0.68 115.31 124.50 3br9 h LEU 68 Ca 0.26 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3br9 h LEU 68 Cb 0.04 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3br9 h LEU 68 CO -0.11 0.94 0.24 0.50 -0.34 0.00 0.00 178.44 179.66 3br9 h LYS 69 N 0.98 0.42 -0.50 1.25 3.64 -0.64 -0.30 116.57 121.41 3br9 h LYS 69 Ca 0.21 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3br9 h LYS 69 Cb 0.32 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3br9 h LYS 69 CO -0.00 0.28 0.24 0.93 -2.27 0.00 0.00 179.45 178.63 3br9 h GLU 70 N 0.43 0.72 -0.48 1.90 5.08 -0.69 0.62 114.58 122.16 3br9 h GLU 70 Ca 0.29 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3br9 h GLU 70 Cb 0.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3br9 h GLU 70 CO -0.28 0.60 0.23 0.52 -1.00 0.00 0.00 179.01 179.09 3br9 h MET 71 N 0.67 0.69 -0.71 2.33 2.86 -0.60 -1.62 114.93 118.54 3br9 h MET 71 Ca 0.17 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3br9 h MET 71 Cb 0.11 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 3br9 h MET 71 CO -0.02 0.57 0.44 0.87 1.06 0.00 0.00 176.91 179.84 3br9 h LYS 72 N 0.63 0.84 -0.61 1.72 1.57 -0.89 0.20 116.57 120.04 3br9 h LYS 72 Ca 0.16 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 3br9 h LYS 72 Cb 0.11 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 3br9 h LYS 72 CO -0.02 0.56 0.32 0.00 -0.57 0.00 0.00 179.45 179.74 3br9 h ALA 73 N 1.30 0.80 -0.45 3.86 0.00 -0.56 0.03 119.26 124.24 3br9 h ALA 73 Ca 0.28 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 3br9 h ALA 73 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3br9 h ALA 73 CO -0.11 -0.02 -0.23 0.87 0.00 0.00 0.00 179.25 179.76 3br9 h LYS 74 N 0.60 0.95 -0.03 0.00 1.57 -0.90 -3.09 116.57 115.66 3br9 h LYS 74 Ca 0.28 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3br9 h LYS 74 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3br9 h LYS 74 CO -0.19 1.09 -0.17 0.00 -0.57 0.00 0.00 179.45 179.61 3br9 h ALA 75 N 0.84 1.65 0.00 3.86 0.00 -0.12 -1.05 119.26 124.44 3br9 h ALA 75 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3br9 h ALA 75 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3br9 h ALA 75 CO 0.07 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 3br9 n SER 76 N -4.31 0.24 -0.07 0.00 3.41 -0.05 -1.22 113.62 111.63 3br9 n SER 76 Ca -0.02 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 3br9 n SER 76 Cb 0.25 -0.62 0.33 0.00 -0.26 0.00 0.00 64.21 63.92 3br9 n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3br9 n THR 77 N -1.78 0.00 -2.86 6.66 -2.24 -0.40 -4.65 114.28 109.01 3br9 n THR 77 Ca 0.02 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 3br9 n THR 77 Cb 0.16 0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 3br9 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3br9 s VAL 78 N -2.84 4.68 -0.14 2.28 1.01 -0.36 -4.94 120.40 120.09 3br9 s VAL 78 Ca 0.16 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3br9 s VAL 78 Cb 0.18 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3br9 s VAL 78 CO 0.63 0.32 -0.15 -0.75 0.00 0.00 0.00 175.10 175.15 3br9 s LYS 79 N 0.12 3.28 0.11 2.72 2.20 -1.26 0.11 119.74 127.02 3br9 s LYS 79 Ca 0.43 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 55.36 3br9 s LYS 79 Cb -0.21 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 3br9 s LYS 79 CO 0.26 0.13 -0.13 0.00 -0.36 0.00 0.00 175.35 175.24 3br9 s ALA 80 N 0.55 1.37 0.14 3.13 0.00 -0.59 -4.93 121.76 121.43 3br9 s ALA 80 Ca -0.09 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.71 3br9 s ALA 80 Cb -0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3br9 s ALA 80 CO 0.04 0.09 -0.02 -1.59 0.00 0.00 0.00 175.76 174.28 3br9 s LYS 81 N -2.51 2.39 0.29 0.00 -2.85 -1.26 -4.37 119.74 111.42 3br9 s LYS 81 Ca 0.06 -1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 53.72 3br9 s LYS 81 Cb -0.05 -2.39 -0.10 0.00 -2.06 0.00 0.00 37.83 33.22 3br9 s LYS 81 CO 0.02 0.49 1.31 -0.51 0.10 0.00 0.00 175.35 176.76 3br9 s LEU 82 N -2.65 4.43 0.47 2.77 1.43 -1.26 -4.48 118.68 119.39 3br9 s LEU 82 Ca 0.26 2.59 -0.16 0.00 -1.03 0.00 0.00 54.13 55.79 3br9 s LEU 82 Cb -0.10 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 3br9 s LEU 82 CO 0.18 -0.53 0.92 -0.76 0.23 0.00 0.00 176.35 176.39 3br9 s LEU 83 N -1.21 3.74 0.75 1.79 1.02 -0.10 -5.04 118.68 119.63 3br9 s LEU 83 Ca 0.52 1.49 -0.11 0.00 0.02 0.00 0.00 54.13 56.04 3br9 s LEU 83 Cb -0.39 -4.39 0.04 0.00 0.02 0.00 0.00 46.19 41.47 3br9 s LEU 83 CO 0.48 -0.49 1.09 -0.94 0.02 0.00 0.00 176.35 176.50 3br9 s SER 84 N -2.89 4.99 0.32 2.29 1.04 -1.26 -4.71 113.70 113.49 3br9 s SER 84 Ca 0.58 1.32 0.04 0.00 0.48 0.00 0.00 55.95 58.37 3br9 s SER 84 Cb -0.10 -2.11 0.66 0.00 0.10 0.00 0.00 66.02 64.57 3br9 s SER 84 CO 0.27 -1.65 1.88 0.58 0.98 0.00 0.00 173.24 175.30 3br9 h VAL 85 N -0.87 0.94 -0.01 5.02 2.07 -1.97 -1.51 116.25 119.91 3br9 h VAL 85 Ca -0.46 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3br9 h VAL 85 Cb 1.25 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3br9 h VAL 85 CO 0.60 0.16 -0.00 -0.33 0.02 0.00 0.00 177.57 178.02 3br9 h GLU 86 N 0.88 0.03 -0.74 1.57 3.07 -1.97 0.23 114.58 117.64 3br9 h GLU 86 Ca 0.44 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.26 3br9 h GLU 86 Cb 0.47 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 3br9 h GLU 86 CO -0.20 0.40 0.37 0.93 -1.40 0.00 0.00 179.01 179.11 3br9 h GLU 87 N -0.35 1.06 -0.49 2.33 5.08 -1.87 -0.17 114.58 120.17 3br9 h GLU 87 Ca 0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3br9 h GLU 87 Cb 0.39 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3br9 h GLU 87 CO 0.00 0.83 -0.01 0.00 -1.00 0.00 0.00 179.01 178.82 3br9 h ALA 88 N 1.18 0.67 -0.82 3.43 0.00 -1.14 -2.43 119.26 120.16 3br9 h ALA 88 Ca 0.26 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3br9 h ALA 88 Cb 0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3br9 h ALA 88 CO -0.03 0.48 0.51 0.00 0.00 0.00 0.00 179.25 180.21 3br9 n LYS 90 N -4.61 0.02 -0.03 0.00 4.76 -0.14 -2.13 118.16 116.03 3br9 n LYS 90 Ca 0.10 0.21 0.13 0.00 -2.87 0.00 0.00 58.31 55.88 3br9 n LYS 90 Cb 0.12 -1.54 0.50 0.00 -1.84 0.00 0.00 35.03 32.28 3br9 n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3br9 n LEU 91 N -1.57 1.34 -4.69 -0.35 4.77 -0.73 -4.81 117.00 110.96 3br9 n LEU 91 Ca 0.04 -0.50 -0.41 0.00 -0.03 0.00 0.00 56.01 55.11 3br9 n LEU 91 Cb 0.22 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3br9 n LEU 91 CO 0.17 0.25 0.50 -0.89 -1.33 0.00 0.00 177.39 176.09 3br9 s THR 92 N -1.92 4.96 0.23 -5.08 2.01 -0.90 0.39 115.64 115.33 3br9 s THR 92 Ca 0.36 1.52 -0.31 0.00 0.31 0.00 0.00 61.69 63.57 3br9 s THR 92 Cb 0.19 -4.08 -0.14 0.00 0.01 0.00 0.00 72.50 68.48 3br9 s THR 92 CO 0.30 0.13 1.24 -2.65 -0.69 0.00 0.00 174.62 172.95 3br9 n PRO 93 N 4.57 1.59 0.26 4.92 -0.02 -1.26 -4.66 135.00 140.40 3br9 n PRO 93 Ca 0.01 0.57 0.16 0.00 -2.02 0.00 0.00 63.50 62.22 3br9 n PRO 93 Cb 0.50 -2.11 0.88 0.00 -0.02 0.00 0.00 33.50 32.75 3br9 n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3br9 h PRO 94 N 3.39 0.00 -0.31 0.52 0.11 -1.95 -1.98 132.00 131.78 3br9 h PRO 94 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3br9 h PRO 94 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 3br9 h PRO 94 CO 0.70 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.21 3br9 n HIS 95 N -3.85 1.10 -1.75 0.65 8.25 -1.26 -4.09 115.22 114.27 3br9 n HIS 95 Ca -0.01 -0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 56.13 3br9 n HIS 95 Cb 0.17 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 30.93 3br9 n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3br9 n SER 96 N -0.42 3.50 -4.59 0.41 2.88 -0.75 -4.84 113.62 109.81 3br9 n SER 96 Ca 0.23 1.22 -0.51 0.00 -1.33 0.00 0.00 58.87 58.48 3br9 n SER 96 Cb 0.94 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.77 3br9 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3br9 n ALA 97 N 0.52 -0.72 -0.93 -1.46 0.00 -1.26 -4.17 120.51 112.50 3br9 n ALA 97 Ca 0.03 0.49 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 3br9 n ALA 97 Cb 0.38 -2.08 0.14 0.00 0.00 0.00 0.00 19.45 17.88 3br9 n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3br9 s LYS 98 N 0.24 1.44 0.56 0.00 -2.85 -1.26 -4.55 119.74 113.32 3br9 s LYS 98 Ca 0.80 1.35 -0.18 0.00 -1.00 0.00 0.00 55.97 56.94 3br9 s LYS 98 Cb -0.90 -1.79 -0.05 0.00 -2.06 0.00 0.00 37.83 33.03 3br9 s LYS 98 CO 0.48 -2.27 1.07 0.45 0.10 0.00 0.00 175.35 175.18 3br9 s SER 99 N -2.98 5.86 0.00 0.03 0.15 0.13 -4.61 113.70 112.28 3br9 s SER 99 Ca 0.64 1.93 0.23 0.00 0.70 0.00 0.00 55.95 59.46 3br9 s SER 99 Cb -0.20 -2.55 1.27 0.00 -1.71 0.00 0.00 66.02 62.83 3br9 s SER 99 CO 0.57 -1.11 1.77 0.29 1.20 0.00 0.00 173.24 175.96 3br9 n LYS 100 N -1.62 0.50 -1.42 5.44 5.02 -1.26 -3.72 118.16 121.09 3br9 n LYS 100 Ca 0.10 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.14 3br9 n LYS 100 Cb 0.52 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.12 3br9 n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3br9 n PHE 101 N -1.17 2.95 -3.34 2.13 3.72 -1.26 -4.92 117.46 115.58 3br9 n PHE 101 Ca 0.14 -2.62 -0.15 0.00 -0.05 0.00 0.00 57.45 54.76 3br9 n PHE 101 Cb 0.14 -1.09 0.04 0.00 -0.94 0.00 0.00 39.48 37.63 3br9 n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3br9 n GLY 102 N -0.92 -1.16 3.60 1.37 0.00 -1.24 -5.02 105.19 101.82 3br9 n GLY 102 Ca 0.56 0.53 -0.03 0.00 0.00 0.00 0.00 46.02 47.08 3br9 n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3br9 s TYR 103 N -3.27 -0.11 0.38 1.61 -0.85 -1.26 -4.96 117.35 108.89 3br9 s TYR 103 Ca 0.31 0.05 0.03 0.00 -0.52 0.00 0.00 57.07 56.93 3br9 s TYR 103 Cb -0.07 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.78 3br9 s TYR 103 CO 0.78 -0.22 0.11 0.41 -1.52 0.00 0.00 175.55 175.12 3br9 n GLY 104 N -0.18 3.36 0.26 5.49 0.00 -1.26 0.20 105.19 113.06 3br9 n GLY 104 Ca -0.01 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 3br9 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3br9 h ALA 105 N 1.56 0.78 -0.86 4.61 0.00 -1.82 -2.37 119.26 121.15 3br9 h ALA 105 Ca -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3br9 h ALA 105 Cb 1.10 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3br9 h ALA 105 CO 0.48 0.30 0.55 0.87 0.00 0.00 0.00 179.25 181.45 3br9 h LYS 106 N 0.82 1.14 -0.99 0.00 6.56 -1.88 -0.53 116.57 121.70 3br9 h LYS 106 Ca 0.21 -0.08 0.10 0.00 -1.06 0.00 0.00 60.65 59.82 3br9 h LYS 106 Cb 0.05 -0.25 -0.08 0.00 -0.57 0.00 0.00 32.23 31.38 3br9 h LYS 106 CO -0.03 0.78 0.63 -0.44 -2.06 0.00 0.00 179.45 178.32 3br9 h ASP 107 N 1.17 0.95 0.10 0.86 3.32 -1.90 0.58 116.42 121.50 3br9 h ASP 107 Ca 0.31 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3br9 h ASP 107 Cb -0.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3br9 h ASP 107 CO -0.06 0.54 -0.05 0.58 -1.72 0.00 0.00 179.24 178.53 3br9 h VAL 108 N 1.04 1.06 0.00 -1.35 2.07 -0.82 0.28 116.25 118.52 3br9 h VAL 108 Ca 0.47 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3br9 h VAL 108 Cb 0.37 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3br9 h VAL 108 CO -0.23 0.14 -0.36 0.03 0.02 0.00 0.00 177.57 177.16 3br9 h ARG 109 N -0.40 0.00 0.00 1.57 3.08 -0.67 -1.69 114.38 116.27 3br9 h ARG 109 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3br9 h ARG 109 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3br9 h ARG 109 CO 0.02 0.36 -0.27 0.09 -1.07 0.00 0.00 179.97 179.10 3br9 n ASN 110 N -3.79 0.32 -1.01 7.04 3.02 0.16 -4.81 115.26 116.19 3br9 n ASN 110 Ca -0.01 0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.58 3br9 n ASN 110 Cb 0.44 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 3br9 n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3br9 n LEU 111 N -1.59 -1.28 -4.66 3.41 4.77 -0.40 -4.97 117.00 112.28 3br9 n LEU 111 Ca 0.06 0.04 -0.44 0.00 -0.03 0.00 0.00 56.01 55.64 3br9 n LEU 111 Cb 0.35 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 39.82 3br9 n LEU 111 CO 0.32 -0.18 0.87 -1.54 -1.33 0.00 0.00 177.39 175.53 3br9 n SER 112 N 0.25 2.44 0.23 -1.43 3.41 0.85 -4.66 113.62 114.71 3br9 n SER 112 Ca -0.11 1.18 0.12 0.00 -0.26 0.00 0.00 58.87 59.80 3br9 n SER 112 Cb 0.53 -1.42 0.48 0.00 -0.26 0.00 0.00 64.21 63.54 3br9 n SER 112 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3br9 h SER 113 N 3.05 0.00 -0.68 4.04 4.64 -1.93 -0.59 113.55 122.08 3br9 h SER 113 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 3br9 h SER 113 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 3br9 h SER 113 CO 0.67 0.16 0.24 0.50 -0.87 0.00 0.00 176.83 177.53 3br9 h LYS 114 N 0.00 1.04 0.17 4.77 3.11 -1.95 0.18 116.57 123.88 3br9 h LYS 114 Ca -0.00 -0.21 -0.01 0.00 -2.81 0.00 0.00 60.65 57.62 3br9 h LYS 114 Cb 0.73 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 3br9 h LYS 114 CO 0.02 0.89 -0.08 0.00 -2.81 0.00 0.00 179.45 177.47 3br9 h ALA 115 N 1.10 -0.23 -0.42 5.00 0.00 -1.49 -2.22 119.26 121.00 3br9 h ALA 115 Ca 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3br9 h ALA 115 Cb 0.26 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3br9 h ALA 115 CO -0.01 -0.39 0.28 0.28 0.00 0.00 0.00 179.25 179.41 3br9 h VAL 116 N -0.69 1.09 -0.26 0.00 2.07 -1.17 0.38 116.25 117.67 3br9 h VAL 116 Ca -0.02 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 3br9 h VAL 116 Cb 0.50 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3br9 h VAL 116 CO 0.04 0.10 -0.18 0.78 0.02 0.00 0.00 177.57 178.32 3br9 h ASN 117 N 0.55 0.61 -0.05 0.57 -0.26 -0.66 -1.58 115.58 114.75 3br9 h ASN 117 Ca 0.16 -0.44 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 3br9 h ASN 117 Cb -0.03 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.06 3br9 h ASN 117 CO -0.04 0.92 -0.01 -0.74 -1.06 0.00 0.00 177.43 176.51 3br9 h HIS 118 N 0.30 0.11 -0.81 1.19 2.76 -0.91 -2.06 115.15 115.72 3br9 h HIS 118 Ca 0.05 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.38 3br9 h HIS 118 Cb 0.72 -0.03 -0.11 0.00 1.55 0.00 0.00 27.41 29.54 3br9 h HIS 118 CO 0.07 0.42 0.30 0.82 -1.30 0.00 0.00 177.93 178.24 3br9 h ILE 119 N -0.23 0.53 -0.68 6.26 2.04 -0.97 0.30 117.51 124.76 3br9 h ILE 119 Ca 0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3br9 h ILE 119 Cb 0.38 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3br9 h ILE 119 CO 0.00 0.07 0.38 0.45 0.00 0.00 0.00 178.15 179.05 3br9 h HIS 120 N 0.37 0.90 0.00 1.37 3.86 -1.03 -1.12 115.15 119.51 3br9 h HIS 120 Ca 0.48 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.50 3br9 h HIS 120 Cb 0.84 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 3br9 h HIS 120 CO -0.19 0.62 -0.84 0.66 0.86 0.00 0.00 177.93 179.04 3br9 h SER 121 N 0.94 0.13 -0.14 2.45 4.64 0.16 -0.33 113.55 121.40 3br9 h SER 121 Ca 0.24 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3br9 h SER 121 Cb 0.01 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3br9 h SER 121 CO -0.04 0.91 -0.03 0.58 -0.87 0.00 0.00 176.83 177.38 3br9 h VAL 122 N 0.05 1.28 0.12 0.95 2.07 -0.45 0.54 116.25 120.82 3br9 h VAL 122 Ca -0.03 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3br9 h VAL 122 Cb 1.47 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 3br9 h VAL 122 CO 0.12 0.28 -0.28 -0.25 0.02 0.00 0.00 177.57 177.45 3br9 h TRP 123 N -0.04 -0.77 -0.80 1.57 2.91 -0.93 0.37 115.95 118.26 3br9 h TRP 123 Ca 0.04 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.15 3br9 h TRP 123 Cb 0.44 0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 29.35 3br9 h TRP 123 CO 0.05 -0.39 0.46 -0.22 -1.03 0.00 0.00 178.44 177.31 3br9 h LYS 124 N -0.50 0.78 -0.50 2.65 3.64 -1.09 -0.80 116.57 120.75 3br9 h LYS 124 Ca 0.03 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3br9 h LYS 124 Cb 0.53 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 3br9 h LYS 124 CO -0.17 0.52 0.27 0.22 -2.27 0.00 0.00 179.45 178.02 3br9 h ASP 125 N 0.81 0.40 -0.88 4.20 3.58 0.26 -1.07 116.42 123.71 3br9 h ASP 125 Ca 0.37 0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.96 3br9 h ASP 125 Cb 0.29 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.21 3br9 h ASP 125 CO -0.22 0.28 0.57 -0.07 -2.88 0.00 0.00 179.24 176.92 3br9 h LEU 126 N 0.52 0.74 -0.31 2.28 3.38 0.83 -0.30 115.31 122.45 3br9 h LEU 126 Ca 0.21 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 3br9 h LEU 126 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3br9 h LEU 126 CO -0.14 0.41 -0.69 -0.07 0.09 0.00 0.00 178.44 178.05 3br9 h LEU 127 N 0.80 0.00 0.00 1.67 3.38 -0.59 -3.28 115.31 117.30 3br9 h LEU 127 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3br9 h LEU 127 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3br9 h LEU 127 CO -0.18 0.69 -0.80 -0.62 0.09 0.00 0.00 178.44 177.61 3br9 n GLU 128 N -3.44 0.32 -3.62 1.13 1.02 -0.46 -4.83 120.64 110.76 3br9 n GLU 128 Ca 0.00 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 3br9 n GLU 128 Cb 0.75 -1.66 -0.17 0.00 -0.02 0.00 0.00 31.44 30.34 3br9 n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3br9 s ASP 129 N -4.21 2.11 -0.21 1.62 -1.08 -0.19 -4.98 116.67 109.73 3br9 s ASP 129 Ca 0.05 -0.48 0.15 0.00 -0.52 0.00 0.00 52.55 51.75 3br9 s ASP 129 Cb 0.13 -0.21 0.58 0.00 -1.46 0.00 0.00 42.92 41.96 3br9 s ASP 129 CO 0.76 -0.33 1.49 0.35 0.52 0.00 0.00 175.17 177.96 3br9 n THR 130 N 5.28 2.42 0.00 1.71 -2.24 -1.26 -4.58 114.28 115.61 3br9 n THR 130 Ca -0.06 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 3br9 n THR 130 Cb 0.49 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3br9 n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3br9 n VAL 131 N -0.39 0.00 -2.80 2.28 0.24 -1.26 -4.59 118.33 111.80 3br9 n VAL 131 Ca 0.24 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.12 3br9 n VAL 131 Cb 0.98 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 3br9 n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3br9 s THR 132 N -0.47 4.72 0.28 3.34 2.01 -1.26 -4.82 115.64 119.44 3br9 s THR 132 Ca 0.00 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 3br9 s THR 132 Cb 0.00 -4.23 -0.13 0.00 0.01 0.00 0.00 72.50 68.14 3br9 s THR 132 CO 0.00 -0.24 1.26 -2.65 -0.69 0.00 0.00 174.62 172.30 3br9 n PRO 133 N 6.33 1.87 -3.31 4.92 -0.02 -1.26 -4.69 135.00 138.82 3br9 n PRO 133 Ca 0.08 0.66 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 3br9 n PRO 133 Cb 0.47 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3br9 n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3br9 s ILE 134 N -0.67 5.13 0.43 4.25 1.01 -0.11 -4.95 121.20 126.30 3br9 s ILE 134 Ca 0.62 0.99 -0.24 0.00 0.00 0.00 0.00 60.65 62.02 3br9 s ILE 134 Cb -0.64 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 37.90 3br9 s ILE 134 CO 0.57 0.36 1.10 -0.67 0.00 0.00 0.00 174.94 176.31 3br9 n ASP 135 N 3.35 1.71 -4.15 3.58 2.03 -1.26 -4.37 116.55 117.43 3br9 n ASP 135 Ca -0.08 1.05 -0.16 0.00 0.52 0.00 0.00 54.79 56.12 3br9 n ASP 135 Cb 0.52 -1.41 -0.11 0.00 -0.72 0.00 0.00 41.12 39.39 3br9 n ASP 135 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3br9 s THR 136 N -1.26 0.93 -0.12 5.18 -4.23 -1.14 -4.30 115.64 110.69 3br9 s THR 136 Ca 0.63 -1.38 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 3br9 s THR 136 Cb -0.53 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3br9 s THR 136 CO 0.56 -0.38 0.17 -0.89 -0.54 0.00 0.00 174.62 173.55 3br9 s THR 137 N -1.71 5.44 -0.17 3.99 2.01 0.17 -1.06 115.64 124.31 3br9 s THR 137 Ca -0.01 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.24 3br9 s THR 137 Cb -0.07 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 3br9 s THR 137 CO 0.01 0.58 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.97 3br9 s ILE 138 N -0.74 3.74 0.13 1.82 2.07 0.01 -1.51 121.20 126.72 3br9 s ILE 138 Ca 0.15 -0.40 0.07 0.00 -1.41 0.00 0.00 60.65 59.06 3br9 s ILE 138 Cb -0.12 -2.65 -0.04 0.00 0.13 0.00 0.00 42.46 39.78 3br9 s ILE 138 CO 0.04 0.47 -0.17 -0.04 -1.91 0.00 0.00 174.94 173.33 3br9 s MET 139 N 0.68 1.14 -0.13 3.50 -1.94 0.21 -4.38 119.30 118.38 3br9 s MET 139 Ca -0.02 -1.28 -0.22 0.00 -1.71 0.00 0.00 55.69 52.46 3br9 s MET 139 Cb -0.14 -1.19 -0.03 0.00 2.01 0.00 0.00 34.83 35.48 3br9 s MET 139 CO 0.02 0.25 0.68 0.00 -0.01 0.00 0.00 175.02 175.96 3br9 s ALA 140 N -1.83 3.45 0.12 3.03 0.00 -1.26 -0.81 121.76 124.45 3br9 s ALA 140 Ca 0.11 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 3br9 s ALA 140 Cb -0.07 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 3br9 s ALA 140 CO 0.05 -0.34 1.28 0.15 0.00 0.00 0.00 175.76 176.91 3br9 s LYS 141 N 1.38 4.39 -0.66 0.00 1.02 -0.11 -4.64 119.74 121.12 3br9 s LYS 141 Ca 0.34 1.94 -0.22 0.00 0.02 0.00 0.00 55.97 58.05 3br9 s LYS 141 Cb -0.17 -3.27 0.08 0.00 -0.52 0.00 0.00 37.83 33.95 3br9 s LYS 141 CO 0.14 -0.30 0.92 -0.80 -0.92 0.00 0.00 175.35 174.39 3br9 s ASN 142 N 0.85 6.20 0.07 2.83 0.01 -1.25 -4.25 114.94 119.41 3br9 s ASN 142 Ca 0.60 -1.16 0.07 0.00 -0.71 0.00 0.00 52.86 51.66 3br9 s ASN 142 Cb -0.34 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 38.90 3br9 s ASN 142 CO 0.32 -1.35 -0.18 -1.61 -1.51 0.00 0.00 177.10 172.77 3br9 s GLU 143 N 3.67 1.06 -0.14 -0.60 2.02 -1.24 -4.86 118.70 118.62 3br9 s GLU 143 Ca 0.20 -1.00 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 3br9 s GLU 143 Cb -0.18 -1.19 -0.05 0.00 0.10 0.00 0.00 34.13 32.82 3br9 s GLU 143 CO 0.08 0.28 0.22 0.08 0.02 0.00 0.00 175.26 175.94 3br9 s VAL 144 N -1.07 5.36 0.24 2.63 1.01 -1.26 -0.09 120.40 127.22 3br9 s VAL 144 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3br9 s VAL 144 Cb -0.09 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3br9 s VAL 144 CO 0.03 0.50 0.20 -0.36 0.00 0.00 0.00 175.10 175.47 3br9 s PHE 145 N -0.23 1.26 -0.05 5.22 0.08 0.09 -4.78 117.98 119.57 3br9 s PHE 145 Ca 0.15 -1.41 -0.07 0.00 0.12 0.00 0.00 56.93 55.71 3br9 s PHE 145 Cb -0.13 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 3br9 s PHE 145 CO 0.04 -0.74 0.22 0.00 -0.10 0.00 0.00 175.22 174.64 3br9 s VAL 147 N -1.16 2.22 -0.10 0.00 -7.23 1.00 -4.96 120.40 110.17 3br9 s VAL 147 Ca 0.22 0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.63 3br9 s VAL 147 Cb -0.13 -3.14 -0.07 0.00 0.56 0.00 0.00 36.38 33.60 3br9 s VAL 147 CO 0.11 0.05 -0.06 0.00 -0.31 0.00 0.00 175.10 174.89 3br9 n GLN 148 N 0.64 0.84 -3.85 4.82 6.02 -1.26 -5.04 117.38 119.55 3br9 n GLN 148 Ca 0.01 0.04 -0.36 0.00 -0.01 0.00 0.00 57.00 56.69 3br9 n GLN 148 Cb 0.40 -1.21 -0.11 0.00 1.02 0.00 0.00 30.24 30.34 3br9 n GLN 148 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3br9 s ARG 154 N -2.20 3.85 0.28 -1.09 0.52 -1.26 -5.28 118.95 113.77 3br9 s ARG 154 Ca -0.11 -0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 54.42 3br9 s ARG 154 Cb 0.03 -3.33 -0.09 0.00 0.52 0.00 0.00 34.95 32.08 3br9 s ARG 154 CO 0.26 0.02 1.02 0.15 0.02 0.00 0.00 175.30 176.78 3br9 s LYS 155 N 1.07 4.65 0.72 3.54 1.02 -1.26 -5.05 119.74 124.44 3br9 s LYS 155 Ca 0.05 1.62 -0.13 0.00 0.02 0.00 0.00 55.97 57.53 3br9 s LYS 155 Cb -0.14 -3.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.09 3br9 s LYS 155 CO 0.03 0.28 1.10 -2.14 -0.92 0.00 0.00 175.35 173.71 3br9 s PRO 156 N -1.54 2.50 0.25 -1.68 0.02 -1.26 -4.86 135.00 128.43 3br9 s PRO 156 Ca 0.45 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 62.44 3br9 s PRO 156 Cb -0.28 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.19 3br9 s PRO 156 CO 0.35 -1.47 1.40 0.00 -0.33 0.00 0.00 177.00 176.95 3br9 n ALA 157 N -3.00 1.15 -1.29 -1.55 0.00 -1.26 -4.95 120.51 109.62 3br9 n ALA 157 Ca 0.10 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 3br9 n ALA 157 Cb 0.52 -2.28 0.10 0.00 0.00 0.00 0.00 19.45 17.80 3br9 n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3br9 s ARG 158 N -0.51 1.97 -0.12 0.00 0.52 -1.26 -4.69 118.95 114.87 3br9 s ARG 158 Ca 0.67 1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 56.87 3br9 s ARG 158 Cb -0.64 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 3br9 s ARG 158 CO 0.50 -1.79 -0.06 -0.51 0.02 0.00 0.00 175.30 173.46 3br9 s LEU 159 N -5.98 3.18 -0.13 2.53 1.02 -1.26 -0.94 118.68 117.10 3br9 s LEU 159 Ca 0.62 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.68 3br9 s LEU 159 Cb -0.17 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 3br9 s LEU 159 CO 0.56 0.25 -0.17 -0.51 0.02 0.00 0.00 176.35 176.50 3br9 s ILE 160 N -0.11 2.62 -0.15 -0.59 1.10 0.01 -4.78 121.20 119.28 3br9 s ILE 160 Ca 0.02 -0.81 0.01 0.00 -0.51 0.00 0.00 60.65 59.35 3br9 s ILE 160 Cb -0.13 -2.07 0.02 0.00 0.15 0.00 0.00 42.46 40.43 3br9 s ILE 160 CO 0.03 0.53 -0.16 -0.69 -2.11 0.00 0.00 174.94 172.54 3br9 s VAL 161 N 0.49 1.68 -0.02 4.00 1.01 -1.26 -0.62 120.40 125.69 3br9 s VAL 161 Ca -0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 3br9 s VAL 161 Cb -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3br9 s VAL 161 CO 0.05 0.48 0.14 0.72 0.00 0.00 0.00 175.10 176.48 3br9 s PHE 162 N 1.42 -0.02 0.85 5.22 -0.71 -0.57 -0.37 117.98 123.81 3br9 s PHE 162 Ca 0.04 0.02 -0.09 0.00 -1.04 0.00 0.00 56.93 55.87 3br9 s PHE 162 Cb -0.13 -0.02 0.17 0.00 -1.21 0.00 0.00 43.02 41.83 3br9 s PHE 162 CO -0.11 -0.22 1.17 -1.25 -1.34 0.00 0.00 175.22 173.48 3br9 s PRO 163 N -0.94 1.12 0.49 1.99 0.04 -1.26 -0.65 135.00 135.79 3br9 s PRO 163 Ca -0.10 -0.72 -0.23 0.00 0.04 0.00 0.00 61.00 59.99 3br9 s PRO 163 Cb -0.06 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3br9 s PRO 163 CO 0.01 -1.97 1.23 -3.47 0.04 0.00 0.00 177.00 172.84 3br9 n ASP 164 N -3.35 2.21 -0.32 6.66 2.03 -1.26 -4.73 116.55 117.80 3br9 n ASP 164 Ca 0.15 1.01 0.17 0.00 0.52 0.00 0.00 54.79 56.64 3br9 n ASP 164 Cb 0.60 -1.50 0.32 0.00 -0.72 0.00 0.00 41.12 39.83 3br9 n ASP 164 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3br9 n LEU 165 N -0.32 -0.03 -0.15 -2.67 7.94 -1.26 -0.71 117.00 119.80 3br9 n LEU 165 Ca 0.09 1.57 -0.04 0.00 -1.11 0.00 0.00 56.01 56.53 3br9 n LEU 165 Cb 0.42 -0.61 0.16 0.00 0.53 0.00 0.00 43.42 43.93 3br9 n LEU 165 CO 0.55 -1.62 0.96 1.23 -1.11 0.00 0.00 177.39 177.40 3br9 h GLY 166 N 0.00 0.95 0.99 -3.96 0.00 -1.95 -1.41 103.07 97.68 3br9 h GLY 166 Ca 0.60 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3br9 h GLY 166 CO -0.85 0.53 0.25 -2.08 0.00 0.00 0.00 176.54 174.39 3br9 h VAL 167 N 0.85 1.21 -0.43 4.60 2.07 -1.26 -2.40 116.25 120.88 3br9 h VAL 167 Ca 0.18 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3br9 h VAL 167 Cb 0.32 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3br9 h VAL 167 CO 0.00 0.25 0.19 0.03 0.02 0.00 0.00 177.57 178.07 3br9 h ARG 168 N 0.77 0.64 -0.73 1.57 3.08 -0.69 0.28 114.38 119.30 3br9 h ARG 168 Ca 0.19 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3br9 h ARG 168 Cb 0.16 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3br9 h ARG 168 CO -0.02 0.57 0.41 0.28 -1.07 0.00 0.00 179.97 180.14 3br9 h VAL 169 N 0.56 1.21 -0.69 2.04 2.07 -1.30 -1.27 116.25 118.87 3br9 h VAL 169 Ca 0.15 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3br9 h VAL 169 Cb 0.15 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3br9 h VAL 169 CO -0.02 0.23 0.25 0.00 0.02 0.00 0.00 177.57 178.05 3br9 h GLU 171 N 1.00 1.12 -0.68 0.00 5.08 -0.04 -1.68 114.58 119.39 3br9 h GLU 171 Ca 0.23 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3br9 h GLU 171 Cb 0.26 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3br9 h GLU 171 CO -0.01 0.81 0.38 0.87 -1.00 0.00 0.00 179.01 180.06 3br9 h LYS 172 N 1.13 0.68 0.25 2.33 1.57 -0.82 0.40 116.57 122.10 3br9 h LYS 172 Ca 0.29 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3br9 h LYS 172 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3br9 h LYS 172 CO -0.05 0.45 -0.16 0.52 -0.57 0.00 0.00 179.45 179.64 3br9 h MET 173 N 0.70 -0.39 -0.16 3.15 2.86 -0.82 -0.75 114.93 119.53 3br9 h MET 173 Ca 0.30 0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.85 3br9 h MET 173 Cb 0.18 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3br9 h MET 173 CO -0.18 -0.26 -0.43 0.00 1.06 0.00 0.00 176.91 177.10 3br9 h ALA 174 N 0.33 0.97 0.00 6.32 0.00 -1.12 -0.24 119.26 125.52 3br9 h ALA 174 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3br9 h ALA 174 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3br9 h ALA 174 CO 0.01 0.63 -0.08 1.28 0.00 0.00 0.00 179.25 181.09 3br9 n LEU 175 N -4.01 0.00 -0.22 0.00 4.77 0.14 -4.77 117.00 112.92 3br9 n LEU 175 Ca -0.02 -0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 55.73 3br9 n LEU 175 Cb 0.51 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3br9 n LEU 175 CO 0.43 0.00 1.11 0.22 -1.33 0.00 0.00 177.39 177.82 3br9 h TYR 176 N 0.00 0.72 -0.24 -1.77 3.20 -1.17 0.07 116.97 117.78 3br9 h TYR 176 Ca 0.00 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 3br9 h TYR 176 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 3br9 h TYR 176 CO 0.00 0.41 -0.38 0.22 -1.64 0.00 0.00 178.16 176.77 3br9 h ASP 177 N 0.76 0.57 0.31 -2.11 3.58 -1.78 -1.73 116.42 116.02 3br9 h ASP 177 Ca 0.25 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 3br9 h ASP 177 Cb 0.02 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 3br9 h ASP 177 CO -0.10 0.89 -0.23 0.58 -2.88 0.00 0.00 179.24 177.50 3br9 h VAL 178 N 0.45 0.52 0.00 2.25 2.07 -1.72 -1.80 116.25 118.03 3br9 h VAL 178 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3br9 h VAL 178 Cb 0.86 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3br9 h VAL 178 CO 0.07 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.99 3br9 n VAL 179 N -5.36 0.72 0.13 2.57 0.24 -0.04 -0.06 118.33 116.53 3br9 n VAL 179 Ca -0.09 -0.02 0.08 0.00 -2.04 0.00 0.00 64.34 62.26 3br9 n VAL 179 Cb 0.26 -0.89 0.03 0.00 -1.47 0.00 0.00 33.84 31.78 3br9 n VAL 179 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3br9 h SER 180 N 0.00 0.00 0.00 -1.34 0.02 -1.16 -3.42 113.55 107.65 3br9 h SER 180 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3br9 h SER 180 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3br9 h SER 180 CO 0.00 0.18 -0.96 0.41 -1.14 0.00 0.00 176.83 175.32 3br9 n THR 181 N -2.91 0.00 -0.18 -2.27 -1.04 -0.69 -4.70 114.28 102.49 3br9 n THR 181 Ca -0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 3br9 n THR 181 Cb 0.62 -1.41 0.07 0.00 -1.82 0.00 0.00 70.33 67.79 3br9 n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3br9 h LEU 182 N 0.00 0.30 -0.88 -4.42 6.46 -0.67 -3.14 115.31 112.96 3br9 h LEU 182 Ca 0.00 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3br9 h LEU 182 Cb 0.96 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.82 3br9 h LEU 182 CO 0.00 0.20 0.54 -0.65 -0.62 0.00 0.00 178.44 177.91 3br9 h PRO 183 N 0.45 0.94 -0.11 5.25 0.11 -1.82 0.38 132.00 137.21 3br9 h PRO 183 Ca 0.25 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 3br9 h PRO 183 Cb 0.23 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3br9 h PRO 183 CO -0.22 0.62 -0.47 0.37 -0.21 0.00 0.00 178.00 178.09 3br9 h GLN 184 N 0.97 0.28 -0.35 1.05 -0.00 -1.86 0.19 115.11 115.38 3br9 h GLN 184 Ca 0.39 -0.15 -0.16 0.00 -0.00 0.00 0.00 58.65 58.73 3br9 h GLN 184 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 3br9 h GLN 184 CO -0.19 0.70 -0.40 0.28 0.00 0.00 0.00 178.83 179.23 3br9 h VAL 185 N 0.22 1.28 0.17 2.39 2.07 -1.01 0.21 116.25 121.58 3br9 h VAL 185 Ca 0.01 -1.57 -0.24 0.00 0.82 0.00 0.00 66.70 65.72 3br9 h VAL 185 Cb 0.92 1.42 0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3br9 h VAL 185 CO 0.08 0.52 -1.03 0.58 0.02 0.00 0.00 177.57 177.73 3br9 h VAL 186 N 0.70 1.42 -0.01 2.57 2.07 -0.69 -3.34 116.25 118.97 3br9 h VAL 186 Ca 0.06 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3br9 h VAL 186 Cb 0.97 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 3br9 h VAL 186 CO 0.09 0.74 -0.69 0.23 0.02 0.00 0.00 177.57 177.96 3br9 n MET 187 N -3.99 0.53 0.00 1.57 2.81 0.63 -4.91 117.12 113.76 3br9 n MET 187 Ca -0.15 -0.42 0.00 0.00 -1.81 0.00 0.00 57.70 55.32 3br9 n MET 187 Cb 0.91 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 3br9 n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3br9 n GLY 188 N 1.46 2.62 0.23 3.03 0.00 0.75 -1.48 105.19 111.79 3br9 n GLY 188 Ca 0.07 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.08 3br9 n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3br9 h SER 189 N 2.29 0.00 0.89 1.61 4.64 -1.94 -0.85 113.55 120.19 3br9 h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3br9 h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3br9 h SER 189 CO 0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3br9 h SER 190 N 0.00 0.00 -2.84 4.97 0.02 -1.41 -3.43 113.55 110.86 3br9 h SER 190 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3br9 h SER 190 Cb 0.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 3br9 h SER 190 CO 0.00 0.00 1.15 -0.47 -1.14 0.00 0.00 176.83 176.37 3br9 s TYR 191 N -3.42 2.17 0.16 3.45 5.04 -0.33 -0.48 117.35 123.95 3br9 s TYR 191 Ca 0.04 0.60 0.29 0.00 -2.44 0.00 0.00 57.07 55.56 3br9 s TYR 191 Cb 0.09 -4.29 1.23 0.00 0.35 0.00 0.00 41.96 39.34 3br9 s TYR 191 CO 0.46 -2.17 1.94 0.78 -1.34 0.00 0.00 175.55 175.22 3br9 h GLY 192 N 13.31 0.00 1.50 8.97 0.00 -1.14 -3.10 103.07 122.61 3br9 h GLY 192 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3br9 h GLY 192 CO 1.13 0.00 -0.02 0.69 0.00 0.00 0.00 176.54 178.35 3br9 n PHE 193 N -3.27 0.00 0.91 5.60 3.72 -1.26 -2.61 117.46 120.55 3br9 n PHE 193 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3br9 n PHE 193 Cb 0.34 -0.28 0.54 0.00 -0.94 0.00 0.00 39.48 39.14 3br9 n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3br9 n GLN 194 N -1.26 0.10 -4.01 -1.08 10.64 -1.17 -3.03 117.38 117.57 3br9 n GLN 194 Ca 0.14 0.08 -0.35 0.00 -1.83 0.00 0.00 57.00 55.05 3br9 n GLN 194 Cb 0.25 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.02 3br9 n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3br9 s TYR 195 N -2.87 3.19 1.09 2.61 2.02 -1.07 -4.60 117.35 117.71 3br9 s TYR 195 Ca 0.15 -0.05 -0.12 0.00 -0.37 0.00 0.00 57.07 56.67 3br9 s TYR 195 Cb 0.16 -2.09 0.24 0.00 -0.40 0.00 0.00 41.96 39.87 3br9 s TYR 195 CO 0.41 0.04 1.06 -1.54 -1.57 0.00 0.00 175.55 173.95 3br9 s SER 196 N 0.60 1.64 0.28 2.29 1.04 -1.26 -4.70 113.70 113.58 3br9 s SER 196 Ca 0.03 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 3br9 s SER 196 Cb -0.13 -2.21 0.37 0.00 0.10 0.00 0.00 66.02 64.15 3br9 s SER 196 CO 0.01 -3.78 1.94 -0.65 0.98 0.00 0.00 173.24 171.74 3br9 h PRO 197 N -2.34 1.16 -0.42 4.02 0.11 -1.89 0.20 132.00 132.83 3br9 h PRO 197 Ca -0.58 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.45 3br9 h PRO 197 Cb 1.32 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3br9 h PRO 197 CO 0.52 0.78 0.28 0.78 -0.21 0.00 0.00 178.00 180.15 3br9 h GLY 198 N 1.19 0.60 1.98 -0.55 0.00 -1.93 -0.56 103.07 103.80 3br9 h GLY 198 Ca 0.32 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 3br9 h GLY 198 CO -0.07 0.22 -0.51 1.46 0.00 0.00 0.00 176.54 177.65 3br9 h GLN 199 N 0.57 0.02 -0.37 4.80 4.20 -1.77 -1.15 115.11 121.41 3br9 h GLN 199 Ca 0.16 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3br9 h GLN 199 Cb -0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3br9 h GLN 199 CO -0.04 0.52 0.16 -0.09 -0.67 0.00 0.00 178.83 178.71 3br9 h ARG 200 N 0.02 0.56 -0.33 1.46 2.43 -0.53 -0.53 114.38 117.45 3br9 h ARG 200 Ca -0.00 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3br9 h ARG 200 Cb 0.90 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 3br9 h ARG 200 CO 0.07 0.53 0.04 0.28 -1.51 0.00 0.00 179.97 179.37 3br9 h VAL 201 N 0.46 0.80 -0.23 0.20 2.07 -0.52 -0.59 116.25 118.44 3br9 h VAL 201 Ca 0.13 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3br9 h VAL 201 Cb 0.17 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3br9 h VAL 201 CO -0.01 0.03 0.13 -0.08 0.02 0.00 0.00 177.57 177.66 3br9 h GLU 202 N 0.14 0.32 -0.15 1.57 4.81 -1.07 0.84 114.58 121.05 3br9 h GLU 202 Ca 0.16 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3br9 h GLU 202 Cb 0.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3br9 h GLU 202 CO -0.23 0.28 -0.01 0.35 -0.73 0.00 0.00 179.01 178.66 3br9 h PHE 203 N 0.28 -0.03 -0.29 0.92 3.57 -0.94 0.69 116.94 121.13 3br9 h PHE 203 Ca 0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3br9 h PHE 203 Cb 0.04 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3br9 h PHE 203 CO -0.04 -0.03 0.18 -0.07 -2.23 0.00 0.00 178.31 176.12 3br9 h LEU 204 N 0.03 0.35 0.25 0.59 3.38 -0.64 -1.58 115.31 117.69 3br9 h LEU 204 Ca 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3br9 h LEU 204 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3br9 h LEU 204 CO -0.13 0.28 -0.12 0.58 0.09 0.00 0.00 178.44 179.15 3br9 h VAL 205 N 0.38 0.78 -0.82 1.22 2.07 -0.67 0.15 116.25 119.36 3br9 h VAL 205 Ca 0.11 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3br9 h VAL 205 Cb -0.01 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 3br9 h VAL 205 CO -0.02 0.03 0.51 0.78 0.02 0.00 0.00 177.57 178.89 3br9 h ASN 206 N -0.40 0.80 -0.54 0.57 2.35 -0.87 0.17 115.58 117.66 3br9 h ASN 206 Ca -0.03 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3br9 h ASN 206 Cb 0.31 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3br9 h ASN 206 CO 0.06 0.52 0.09 0.74 -1.65 0.00 0.00 177.43 177.19 3br9 h THR 207 N 0.94 1.25 -0.32 2.81 2.02 -1.03 -0.35 112.91 118.23 3br9 h THR 207 Ca 0.35 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 3br9 h THR 207 Cb 0.14 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3br9 h THR 207 CO -0.16 0.35 0.08 -0.25 0.37 0.00 0.00 175.52 175.91 3br9 h TRP 208 N 0.79 0.54 0.00 3.16 2.91 -0.16 -2.79 115.95 120.40 3br9 h TRP 208 Ca 0.17 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.12 3br9 h TRP 208 Cb 0.40 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 3br9 h TRP 208 CO 0.03 0.56 0.00 0.87 -1.03 0.00 0.00 178.44 178.87 3br9 h LYS 209 N 0.37 0.00 -0.05 2.65 1.57 -0.52 -2.80 116.57 117.79 3br9 h LYS 209 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3br9 h LYS 209 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3br9 h LYS 209 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3br9 n SER 210 N -3.02 0.87 -4.55 0.86 3.41 -0.16 -4.78 113.62 106.26 3br9 n SER 210 Ca 0.00 -1.43 -0.34 0.00 -0.26 0.00 0.00 58.87 56.84 3br9 n SER 210 Cb 0.26 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 3br9 n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3br9 s LYS 211 N -1.94 3.14 0.10 4.33 -0.14 -1.06 -5.02 119.74 119.15 3br9 s LYS 211 Ca 0.36 -0.53 -0.28 0.00 -1.36 0.00 0.00 55.97 54.16 3br9 s LYS 211 Cb 0.18 -2.72 -0.11 0.00 -1.68 0.00 0.00 37.83 33.50 3br9 s LYS 211 CO 0.29 0.49 1.64 0.87 -0.76 0.00 0.00 175.35 177.89 3br9 h LYS 212 N 5.84 -0.50 -3.62 1.68 1.57 -1.87 -3.33 116.57 116.34 3br9 h LYS 212 Ca -0.41 0.03 -0.62 0.00 -1.87 0.00 0.00 60.65 57.78 3br9 h LYS 212 Cb 1.18 0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.20 3br9 h LYS 212 CO 0.56 -0.33 -0.71 -0.80 -0.57 0.00 0.00 179.45 177.60 3br9 s ASN 213 N -4.77 4.16 0.21 0.86 -0.87 -1.26 -5.08 114.94 108.19 3br9 s ASN 213 Ca -0.16 -2.40 -0.32 0.00 -1.57 0.00 0.00 52.86 48.42 3br9 s ASN 213 Cb 0.07 -1.29 -0.11 0.00 -0.02 0.00 0.00 41.25 39.90 3br9 s ASN 213 CO 0.65 -0.32 1.65 -2.16 -2.57 0.00 0.00 177.10 174.35 3br9 s PRO 214 N 0.60 4.16 -0.01 -0.60 0.04 -1.25 0.72 135.00 138.66 3br9 s PRO 214 Ca 0.14 2.52 0.03 0.00 0.04 0.00 0.00 61.00 63.73 3br9 s PRO 214 Cb -0.22 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 3br9 s PRO 214 CO -0.07 -0.68 -0.09 1.41 0.04 0.00 0.00 177.00 177.61 3br9 s MET 215 N 0.91 0.74 0.04 4.56 1.75 0.10 -4.66 119.30 122.74 3br9 s MET 215 Ca 0.71 -0.31 0.01 0.00 -1.25 0.00 0.00 55.69 54.85 3br9 s MET 215 Cb -0.47 -0.71 -0.03 0.00 2.84 0.00 0.00 34.83 36.46 3br9 s MET 215 CO 0.34 0.18 -0.06 0.20 -0.65 0.00 0.00 175.02 175.03 3br9 s GLY 216 N -0.16 0.46 0.03 2.11 0.00 -0.43 0.25 107.32 109.58 3br9 s GLY 216 Ca 0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.78 3br9 s GLY 216 CO -0.00 -0.92 0.24 -0.11 0.00 0.00 0.00 173.10 172.31 3br9 s PHE 217 N -2.01 -0.03 0.14 1.90 -0.71 -0.27 -0.07 117.98 116.94 3br9 s PHE 217 Ca -0.07 -0.12 0.05 0.00 -1.04 0.00 0.00 56.93 55.75 3br9 s PHE 217 Cb -0.06 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 3br9 s PHE 217 CO -0.02 -0.44 0.09 -1.54 -1.34 0.00 0.00 175.22 171.96 3br9 s SER 218 N -1.96 5.32 -0.18 1.98 1.04 -1.26 -1.01 113.70 117.64 3br9 s SER 218 Ca -0.07 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.21 3br9 s SER 218 Cb -0.02 -1.34 0.03 0.00 0.10 0.00 0.00 66.02 64.79 3br9 s SER 218 CO -0.02 0.10 -0.14 -0.47 0.98 0.00 0.00 173.24 173.69 3br9 s TYR 219 N -1.63 2.51 -0.38 5.02 5.04 -0.29 -4.56 117.35 123.05 3br9 s TYR 219 Ca 0.29 -1.55 -0.11 0.00 -2.44 0.00 0.00 57.07 53.26 3br9 s TYR 219 Cb -0.10 -1.73 0.03 0.00 0.35 0.00 0.00 41.96 40.51 3br9 s TYR 219 CO 0.22 -0.75 0.22 0.34 -1.34 0.00 0.00 175.55 174.24 3br9 s ASP 220 N 1.37 5.78 -0.05 4.32 2.15 -1.26 -4.02 116.67 124.96 3br9 s ASP 220 Ca 0.02 -1.02 -0.30 0.00 0.43 0.00 0.00 52.55 51.68 3br9 s ASP 220 Cb -0.15 -2.04 -0.02 0.00 -0.30 0.00 0.00 42.92 40.42 3br9 s ASP 220 CO -0.10 -0.41 0.99 -0.89 -0.17 0.00 0.00 175.17 174.60 3br9 s THR 221 N 1.56 4.82 -0.20 1.71 2.01 -1.26 -0.89 115.64 123.39 3br9 s THR 221 Ca 0.02 2.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 3br9 s THR 221 Cb -0.19 -4.32 -0.07 0.00 0.01 0.00 0.00 72.50 67.94 3br9 s THR 221 CO 0.07 0.08 2.19 -1.14 -0.69 0.00 0.00 174.62 175.13 3br9 n ARG 222 N 4.46 1.95 -3.39 4.92 0.63 -0.01 -4.01 116.66 121.20 3br9 n ARG 222 Ca 0.07 0.56 -0.14 0.00 -0.92 0.00 0.00 57.85 57.43 3br9 n ARG 222 Cb 0.50 -3.10 0.02 0.00 0.45 0.00 0.00 32.46 30.33 3br9 n ARG 222 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3br9 h PHE 224 N -0.35 -0.16 -0.96 0.00 3.57 -1.96 -1.65 116.94 115.42 3br9 h PHE 224 Ca -0.35 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.26 3br9 h PHE 224 Cb 1.20 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 40.01 3br9 h PHE 224 CO 0.24 -0.15 0.62 -0.44 -2.23 0.00 0.00 178.31 176.35 3br9 h ASP 225 N 0.03 0.95 0.70 0.41 3.32 -1.90 0.80 116.42 120.73 3br9 h ASP 225 Ca 0.20 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3br9 h ASP 225 Cb 0.30 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3br9 h ASP 225 CO -0.40 0.59 -0.23 0.28 -1.72 0.00 0.00 179.24 177.75 3br9 h SER 226 N 1.07 0.00 0.80 6.45 0.02 -1.61 -1.97 113.55 118.31 3br9 h SER 226 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3br9 h SER 226 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3br9 h SER 226 CO -0.18 0.23 -0.20 0.35 -1.14 0.00 0.00 176.83 175.89 3br9 n THR 227 N -3.53 0.00 -2.44 -2.27 -2.24 0.25 -4.75 114.28 99.30 3br9 n THR 227 Ca -0.01 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3br9 n THR 227 Cb 0.39 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 3br9 n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3br9 s VAL 228 N -3.00 4.30 0.62 2.28 1.01 -1.05 -4.76 120.40 119.80 3br9 s VAL 228 Ca 0.13 1.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 3br9 s VAL 228 Cb 0.18 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.60 3br9 s VAL 228 CO 0.60 -0.17 0.87 0.42 0.00 0.00 0.00 175.10 176.83 3br9 s THR 229 N 3.55 2.45 0.22 3.92 -4.23 -1.26 -3.94 115.64 116.35 3br9 s THR 229 Ca 0.54 -0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 60.39 3br9 s THR 229 Cb -0.21 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 70.95 3br9 s THR 229 CO 0.15 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 175.91 3br9 h GLU 230 N -0.20 0.53 -0.62 3.99 4.81 -1.85 -1.69 114.58 119.54 3br9 h GLU 230 Ca -0.41 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 3br9 h GLU 230 Cb 1.29 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 3br9 h GLU 230 CO 0.49 0.35 0.35 -0.97 -0.73 0.00 0.00 179.01 178.50 3br9 h ASN 231 N 0.54 0.53 -0.96 1.04 -1.24 -1.96 -0.56 115.58 112.98 3br9 h ASN 231 Ca 0.35 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.40 3br9 h ASN 231 Cb 0.41 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.32 3br9 h ASN 231 CO -0.29 0.36 0.64 0.44 -1.29 0.00 0.00 177.43 177.28 3br9 h ASP 232 N 0.66 1.08 0.55 1.15 3.32 -1.68 0.11 116.42 121.61 3br9 h ASP 232 Ca 0.27 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 57.07 3br9 h ASP 232 Cb 0.13 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3br9 h ASP 232 CO -0.16 0.77 -1.01 0.40 -1.72 0.00 0.00 179.24 177.52 3br9 h ILE 233 N 1.27 1.48 -0.42 0.35 2.04 -1.05 -0.88 117.51 120.30 3br9 h ILE 233 Ca 0.36 -2.75 -0.11 0.00 1.00 0.00 0.00 64.86 63.37 3br9 h ILE 233 Cb -0.09 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 3br9 h ILE 233 CO -0.09 0.81 -0.15 0.03 0.00 0.00 0.00 178.15 178.74 3br9 h ARG 234 N 0.13 0.85 -0.41 2.37 3.08 -0.81 -1.90 114.38 117.68 3br9 h ARG 234 Ca -0.08 -0.35 0.03 0.00 0.07 0.00 0.00 59.98 59.65 3br9 h ARG 234 Cb 1.68 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.66 3br9 h ARG 234 CO 0.16 0.99 0.21 0.28 -1.07 0.00 0.00 179.97 180.54 3br9 h VAL 235 N 0.67 0.98 -0.69 2.04 2.07 -0.73 0.09 116.25 120.68 3br9 h VAL 235 Ca 0.10 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.55 3br9 h VAL 235 Cb 0.70 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3br9 h VAL 235 CO 0.05 0.08 0.36 -0.08 0.02 0.00 0.00 177.57 178.00 3br9 h GLU 236 N 0.43 0.61 -0.49 1.57 4.81 -1.10 -0.75 114.58 119.66 3br9 h GLU 236 Ca 0.18 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3br9 h GLU 236 Cb 0.08 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3br9 h GLU 236 CO -0.12 0.41 0.07 1.49 -0.73 0.00 0.00 179.01 180.13 3br9 h GLU 237 N 0.63 0.82 -0.01 1.92 4.81 -0.78 -1.47 114.58 120.50 3br9 h GLU 237 Ca 0.33 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3br9 h GLU 237 Cb 0.29 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3br9 h GLU 237 CO -0.23 0.82 0.01 0.66 -0.73 0.00 0.00 179.01 179.54 3br9 h SER 238 N 0.69 0.00 -0.14 1.04 4.64 -0.01 0.20 113.55 119.97 3br9 h SER 238 Ca 0.15 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 3br9 h SER 238 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3br9 h SER 238 CO 0.01 0.00 -0.12 0.40 -0.87 0.00 0.00 176.83 176.25 3br9 h ILE 239 N 0.00 1.34 -0.53 0.95 2.04 -0.20 -3.06 117.51 118.05 3br9 h ILE 239 Ca 0.00 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.65 3br9 h ILE 239 Cb 0.02 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3br9 h ILE 239 CO -0.00 0.36 0.29 1.88 0.00 0.00 0.00 178.15 180.68 3br9 h TYR 240 N -0.04 0.53 0.00 1.37 0.05 -0.15 -0.49 116.97 118.24 3br9 h TYR 240 Ca 0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3br9 h TYR 240 Cb 0.63 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3br9 h TYR 240 CO 0.08 0.27 0.00 1.04 -1.05 0.00 0.00 178.16 178.50 3br9 n GLN 241 N -4.84 0.06 0.15 4.88 1.13 0.55 -1.30 117.38 118.01 3br9 n GLN 241 Ca 0.05 0.49 0.13 0.00 -1.94 0.00 0.00 57.00 55.73 3br9 n GLN 241 Cb 0.12 -1.68 0.44 0.00 0.11 0.00 0.00 30.24 29.23 3br9 n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3br9 s ASP 244 N -3.63 6.56 0.11 0.00 -1.08 0.12 -4.98 116.67 113.77 3br9 s ASP 244 Ca 0.61 0.29 0.08 0.00 -0.52 0.00 0.00 52.55 53.01 3br9 s ASP 244 Cb -0.16 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 3br9 s ASP 244 CO 0.56 -1.27 -0.19 -0.76 0.52 0.00 0.00 175.17 174.02 3br9 s LEU 245 N 4.43 2.33 0.42 -1.34 1.43 -1.26 -1.55 118.68 123.15 3br9 s LEU 245 Ca 0.44 -0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 3br9 s LEU 245 Cb -0.08 -0.81 -0.09 0.00 0.03 0.00 0.00 46.19 45.23 3br9 s LEU 245 CO 0.29 0.01 1.45 0.00 0.23 0.00 0.00 176.35 178.33 3br9 s ALA 246 N -1.43 3.37 0.44 4.21 0.00 -1.26 -4.85 121.76 122.23 3br9 s ALA 246 Ca 0.08 1.51 0.33 0.00 0.00 0.00 0.00 51.96 53.87 3br9 s ALA 246 Cb -0.09 -3.60 1.71 0.00 0.00 0.00 0.00 23.12 21.14 3br9 s ALA 246 CO 0.04 -1.14 2.15 -1.35 0.00 0.00 0.00 175.76 175.46 3br9 h PRO 247 N 2.58 0.00 -0.02 0.00 0.11 -1.99 0.17 132.00 132.85 3br9 h PRO 247 Ca -0.51 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3br9 h PRO 247 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3br9 h PRO 247 CO 0.62 0.06 -0.61 0.93 -0.21 0.00 0.00 178.00 178.79 3br9 h GLU 248 N 0.00 0.08 -0.24 1.05 5.08 -1.99 -1.31 114.58 117.24 3br9 h GLU 248 Ca -0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3br9 h GLU 248 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3br9 h GLU 248 CO 0.01 0.66 -0.01 0.00 -1.00 0.00 0.00 179.01 178.68 3br9 h ALA 249 N 1.32 0.33 -0.59 3.43 0.00 -1.08 -0.20 119.26 122.48 3br9 h ALA 249 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3br9 h ALA 249 Cb 1.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3br9 h ALA 249 CO 0.08 0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.74 3br9 h ARG 250 N 0.21 0.62 0.09 0.00 3.08 -1.04 0.17 114.38 117.51 3br9 h ARG 250 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3br9 h ARG 250 Cb 0.42 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3br9 h ARG 250 CO 0.01 0.41 -0.04 0.37 -1.07 0.00 0.00 179.97 179.65 3br9 h GLN 251 N 0.64 -0.12 -0.71 0.04 5.75 -1.16 -1.22 115.11 118.34 3br9 h GLN 251 Ca 0.25 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 3br9 h GLN 251 Cb 0.10 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3br9 h GLN 251 CO -0.14 0.23 0.47 0.00 -2.65 0.00 0.00 178.83 176.74 3br9 h ALA 252 N 0.38 1.56 -0.27 3.38 0.00 -0.66 0.78 119.26 124.43 3br9 h ALA 252 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3br9 h ALA 252 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3br9 h ALA 252 CO 0.02 0.39 -0.13 0.82 0.00 0.00 0.00 179.25 180.35 3br9 h ILE 253 N 0.89 1.30 -0.69 0.00 2.04 -0.59 0.21 117.51 120.67 3br9 h ILE 253 Ca 0.27 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3br9 h ILE 253 Cb -0.01 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3br9 h ILE 253 CO -0.07 0.38 0.40 0.50 0.00 0.00 0.00 178.15 179.36 3br9 h LYS 254 N 0.29 0.94 0.03 2.37 3.64 -0.57 -1.17 116.57 122.10 3br9 h LYS 254 Ca 0.06 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3br9 h LYS 254 Cb 0.64 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3br9 h LYS 254 CO 0.04 0.68 -0.01 1.03 -2.27 0.00 0.00 179.45 178.91 3br9 h SER 255 N 0.93 -0.03 -0.62 4.20 0.87 -0.63 -0.96 113.55 117.32 3br9 h SER 255 Ca 0.24 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3br9 h SER 255 Cb -0.01 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3br9 h SER 255 CO -0.04 0.24 0.35 -0.07 -0.53 0.00 0.00 176.83 176.78 3br9 h LEU 256 N -0.31 0.79 0.58 2.23 3.38 -0.50 -0.05 115.31 121.42 3br9 h LEU 256 Ca -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3br9 h LEU 256 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3br9 h LEU 256 CO 0.01 0.63 -0.29 0.74 0.09 0.00 0.00 178.44 179.63 3br9 h THR 257 N 0.89 0.42 -0.11 0.22 2.02 -1.01 0.32 112.91 115.65 3br9 h THR 257 Ca 0.23 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.32 3br9 h THR 257 Cb 0.02 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3br9 h THR 257 CO -0.04 0.00 -0.32 -0.33 0.37 0.00 0.00 175.52 175.21 3br9 h GLU 258 N -0.79 0.22 0.00 6.66 4.39 -0.91 -1.01 114.58 123.14 3br9 h GLU 258 Ca -0.08 -0.08 -0.33 0.00 0.34 0.00 0.00 59.36 59.21 3br9 h GLU 258 Cb 0.61 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 3br9 h GLU 258 CO 0.12 0.52 -2.06 0.54 -1.16 0.00 0.00 179.01 176.97 3br9 n ARG 259 N -4.11 0.66 0.03 2.33 1.74 -0.06 -4.71 116.66 112.54 3br9 n ARG 259 Ca -0.01 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3br9 n ARG 259 Cb 0.40 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3br9 n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3br9 n LEU 260 N -2.88 0.19 -0.18 0.55 7.94 0.82 -0.93 117.00 122.51 3br9 n LEU 260 Ca -0.25 0.10 -0.09 0.00 -1.11 0.00 0.00 56.01 54.66 3br9 n LEU 260 Cb 1.10 -0.01 0.01 0.00 0.53 0.00 0.00 43.42 45.05 3br9 n LEU 260 CO 0.44 -0.39 0.92 1.88 -1.11 0.00 0.00 177.39 179.12 3br9 h TYR 261 N 0.00 0.82 -0.09 1.96 0.05 -0.46 -2.87 116.97 116.38 3br9 h TYR 261 Ca 0.00 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 3br9 h TYR 261 Cb 0.39 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3br9 h TYR 261 CO 0.00 0.71 -0.33 0.82 -1.05 0.00 0.00 178.16 178.31 3br9 h ILE 262 N 0.69 1.27 0.00 -2.88 2.04 -1.43 -3.41 117.51 113.79 3br9 h ILE 262 Ca 0.16 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3br9 h ILE 262 Cb 0.28 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3br9 h ILE 262 CO -0.00 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.14 3br9 n GLY 263 N -0.41 -2.54 0.00 5.37 0.00 -1.08 -3.92 105.19 102.60 3br9 n GLY 263 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3br9 n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3br9 n GLY 264 N -0.76 2.32 3.78 -0.02 0.00 -0.45 -4.02 105.19 106.03 3br9 n GLY 264 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 3br9 n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3br9 s PRO 265 N -2.00 3.38 -0.11 1.61 0.04 -1.26 -0.48 135.00 136.18 3br9 s PRO 265 Ca 0.00 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.64 3br9 s PRO 265 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3br9 s PRO 265 CO 0.00 -0.82 -0.13 -0.51 0.04 0.00 0.00 177.00 175.58 3br9 s LEU 266 N -3.78 2.73 -0.10 -3.56 1.43 0.55 -2.91 118.68 113.04 3br9 s LEU 266 Ca 0.72 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 3br9 s LEU 266 Cb -0.23 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3br9 s LEU 266 CO 0.26 0.20 -0.15 -0.89 0.23 0.00 0.00 176.35 176.01 3br9 s THR 267 N 0.11 1.43 1.02 5.49 2.01 -0.22 -0.24 115.64 125.24 3br9 s THR 267 Ca -0.06 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.17 3br9 s THR 267 Cb -0.15 -1.31 0.21 0.00 0.01 0.00 0.00 72.50 71.27 3br9 s THR 267 CO 0.05 0.43 1.23 0.54 -0.69 0.00 0.00 174.62 176.17 3br9 s ASN 268 N 0.92 2.56 0.33 3.53 2.20 -0.30 -0.81 114.94 123.36 3br9 s ASN 268 Ca -0.08 0.50 0.26 0.00 -0.94 0.00 0.00 52.86 52.59 3br9 s ASN 268 Cb -0.15 -0.69 1.11 0.00 -2.00 0.00 0.00 41.25 39.52 3br9 s ASN 268 CO -0.00 -3.10 1.77 0.77 -2.94 0.00 0.00 177.10 173.60 3br9 h SER 269 N -1.88 0.00 -0.20 3.54 4.64 -1.77 -0.60 113.55 117.28 3br9 h SER 269 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3br9 h SER 269 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3br9 h SER 269 CO 0.41 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.66 3br9 n LYS 270 N -2.40 1.92 -0.70 4.77 5.02 -1.26 -4.94 118.16 120.57 3br9 n LYS 270 Ca 0.01 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 3br9 n LYS 270 Cb 0.21 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3br9 n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3br9 n GLY 271 N 1.22 0.62 3.85 0.72 0.00 -0.23 -5.05 105.19 106.33 3br9 n GLY 271 Ca 0.17 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3br9 n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3br9 s GLN 272 N -0.69 3.96 -0.25 1.61 -0.21 -1.26 -4.82 119.66 118.00 3br9 s GLN 272 Ca 0.00 0.51 -0.29 0.00 0.02 0.00 0.00 55.36 55.60 3br9 s GLN 272 Cb 0.00 -2.71 0.01 0.00 1.00 0.00 0.00 33.01 31.31 3br9 s GLN 272 CO 0.00 0.34 1.11 1.21 -2.12 0.00 0.00 175.29 175.83 3br9 s ASN 273 N -2.06 6.99 0.11 5.90 3.04 -1.26 -1.15 114.94 126.51 3br9 s ASN 273 Ca 0.45 1.32 0.23 0.00 0.04 0.00 0.00 52.86 54.91 3br9 s ASN 273 Cb -0.13 -2.54 0.16 0.00 -1.54 0.00 0.00 41.25 37.20 3br9 s ASN 273 CO 0.20 -0.78 1.15 0.00 -3.04 0.00 0.00 177.10 174.63 3br9 n GLY 275 N 1.31 0.61 2.86 0.00 0.00 -1.21 0.38 105.19 109.14 3br9 n GLY 275 Ca 0.02 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 3br9 n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3br9 s TYR 276 N -3.83 0.03 -0.13 1.61 5.04 0.15 -0.33 117.35 119.89 3br9 s TYR 276 Ca 0.00 0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.63 3br9 s TYR 276 Cb 0.00 -0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.23 3br9 s TYR 276 CO 0.00 -0.01 -0.07 0.50 -1.34 0.00 0.00 175.55 174.63 3br9 s ARG 277 N 0.16 3.41 -0.17 4.97 3.52 0.37 -1.01 118.95 130.19 3br9 s ARG 277 Ca -0.01 -0.57 0.14 0.00 -0.13 0.00 0.00 55.73 55.15 3br9 s ARG 277 Cb -0.02 -2.77 0.38 0.00 -1.56 0.00 0.00 34.95 30.98 3br9 s ARG 277 CO -0.00 0.32 1.20 0.54 -0.81 0.00 0.00 175.30 176.54 3br9 n ARG 278 N 3.27 1.36 -2.85 5.12 1.74 0.10 -1.34 116.66 124.06 3br9 n ARG 278 Ca -0.18 -3.00 -0.08 0.00 -0.77 0.00 0.00 57.85 53.83 3br9 n ARG 278 Cb 0.53 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 3br9 n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3br9 n ARG 280 N -0.29 2.34 -2.92 0.00 3.00 -0.76 -4.63 116.66 113.39 3br9 n ARG 280 Ca 0.01 0.84 -0.40 0.00 -0.00 0.00 0.00 57.85 58.31 3br9 n ARG 280 Cb 0.29 -2.64 -0.06 0.00 0.00 0.00 0.00 32.46 30.05 3br9 n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3br9 s ALA 281 N 1.12 3.40 -0.68 5.13 0.00 -1.26 -4.78 121.76 124.69 3br9 s ALA 281 Ca 0.78 0.41 0.24 0.00 0.00 0.00 0.00 51.96 53.39 3br9 s ALA 281 Cb -0.63 -3.03 0.35 0.00 0.00 0.00 0.00 23.12 19.80 3br9 s ALA 281 CO 0.37 0.20 1.31 -1.13 0.00 0.00 0.00 175.76 176.51 3br9 n SER 282 N 1.94 0.66 -2.25 0.00 3.41 -1.23 -4.06 113.62 112.09 3br9 n SER 282 Ca -0.04 0.05 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 3br9 n SER 282 Cb 0.49 0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.69 3br9 n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3br9 n GLY 283 N 1.36 6.15 3.48 5.00 0.00 0.50 -4.17 105.19 117.51 3br9 n GLY 283 Ca 0.03 -2.60 -0.24 0.00 0.00 0.00 0.00 46.02 43.21 3br9 n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3br9 s VAL 284 N -4.88 2.22 0.28 1.61 -7.23 -1.16 -4.30 120.40 106.95 3br9 s VAL 284 Ca 0.53 -2.28 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 3br9 s VAL 284 Cb 0.43 -2.43 0.27 0.00 0.56 0.00 0.00 36.38 35.22 3br9 s VAL 284 CO -0.06 -0.33 1.91 0.25 -0.31 0.00 0.00 175.10 176.56 3br9 h LEU 285 N 2.20 0.99 -0.62 1.32 5.85 -1.80 -2.04 115.31 121.22 3br9 h LEU 285 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3br9 h LEU 285 Cb 1.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3br9 h LEU 285 CO 0.65 0.65 0.00 0.35 -0.34 0.00 0.00 178.44 179.75 3br9 n THR 286 N -4.47 0.08 -0.13 1.05 -2.24 -1.26 -4.22 114.28 103.08 3br9 n THR 286 Ca 0.14 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.68 3br9 n THR 286 Cb 0.16 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3br9 n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3br9 h THR 287 N 1.33 0.29 0.04 4.28 2.02 -1.62 0.53 112.91 119.77 3br9 h THR 287 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3br9 h THR 287 Cb 0.29 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3br9 h THR 287 CO 0.00 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.59 3br9 h SER 288 N -0.18 -0.04 -0.52 4.18 0.87 -1.73 -0.49 113.55 115.64 3br9 h SER 288 Ca 0.20 -0.55 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 3br9 h SER 288 Cb 0.50 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3br9 h SER 288 CO -0.55 0.55 0.26 0.00 -0.53 0.00 0.00 176.83 176.57 3br9 h GLY 290 N 0.69 0.83 1.22 0.00 0.00 0.04 0.13 103.07 105.98 3br9 h GLY 290 Ca 0.18 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3br9 h GLY 290 CO -0.02 0.46 0.11 3.43 0.00 0.00 0.00 176.54 180.52 3br9 h ASN 291 N 0.67 0.92 -0.04 0.19 2.35 -0.99 -0.67 115.58 118.01 3br9 h ASN 291 Ca 0.16 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3br9 h ASN 291 Cb 0.27 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3br9 h ASN 291 CO -0.01 0.91 -0.01 0.74 -1.65 0.00 0.00 177.43 177.42 3br9 h THR 292 N 0.92 1.28 -0.27 2.81 2.02 -0.77 0.41 112.91 119.30 3br9 h THR 292 Ca 0.19 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.55 3br9 h THR 292 Cb 0.38 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3br9 h THR 292 CO 0.01 0.23 0.12 -0.07 0.37 0.00 0.00 175.52 176.18 3br9 h LEU 293 N -0.26 0.17 -0.74 2.58 3.38 -0.62 0.17 115.31 119.99 3br9 h LEU 293 Ca 0.01 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3br9 h LEU 293 Cb 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3br9 h LEU 293 CO 0.00 0.14 -0.31 0.74 0.09 0.00 0.00 178.44 179.10 3br9 h THR 294 N 0.26 1.28 -0.43 0.22 2.02 -1.03 0.32 112.91 115.56 3br9 h THR 294 Ca 0.11 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.83 3br9 h THR 294 Cb 0.05 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3br9 h THR 294 CO -0.09 0.46 0.11 0.00 0.37 0.00 0.00 175.52 176.37 3br9 h TYR 296 N 0.55 1.11 0.31 0.00 3.20 -0.23 -0.96 116.97 120.95 3br9 h TYR 296 Ca 0.13 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3br9 h TYR 296 Cb 0.31 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3br9 h TYR 296 CO 0.02 0.97 -0.15 1.25 -1.64 0.00 0.00 178.16 178.61 3br9 h LEU 297 N 0.95 -0.35 -0.72 2.82 5.85 -0.17 0.03 115.31 123.72 3br9 h LEU 297 Ca 0.18 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3br9 h LEU 297 Cb 0.51 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3br9 h LEU 297 CO 0.02 -0.10 -0.01 0.11 -0.34 0.00 0.00 178.44 178.13 3br9 h LYS 298 N -0.61 0.98 -0.32 1.25 1.57 -1.34 -1.56 116.57 116.54 3br9 h LYS 298 Ca -0.04 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 3br9 h LYS 298 Cb 0.44 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3br9 h LYS 298 CO 0.07 0.97 -0.43 0.00 -0.57 0.00 0.00 179.45 179.49 3br9 h ALA 299 N 1.08 0.48 0.27 3.86 0.00 -1.12 0.18 119.26 124.01 3br9 h ALA 299 Ca 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3br9 h ALA 299 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3br9 h ALA 299 CO 0.03 0.61 -0.13 0.77 0.00 0.00 0.00 179.25 180.53 3br9 h SER 300 N 0.63 -0.31 -0.87 0.00 0.02 -0.83 0.43 113.55 112.63 3br9 h SER 300 Ca 0.04 -0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 3br9 h SER 300 Cb 1.02 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.56 3br9 h SER 300 CO 0.10 -0.16 0.50 0.00 -1.14 0.00 0.00 176.83 176.12 3br9 h ALA 301 N 0.28 1.29 -0.22 3.77 0.00 -1.31 -2.04 119.26 121.03 3br9 h ALA 301 Ca -0.04 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3br9 h ALA 301 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3br9 h ALA 301 CO 0.06 0.06 -0.25 0.00 0.00 0.00 0.00 179.25 179.12 3br9 h ALA 302 N 1.51 1.16 -0.77 0.00 0.00 0.25 -0.43 119.26 120.97 3br9 h ALA 302 Ca 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3br9 h ALA 302 Cb 0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3br9 h ALA 302 CO -0.29 0.54 0.42 0.00 0.00 0.00 0.00 179.25 179.92 3br9 h ARG 304 N 1.07 0.38 -0.89 0.00 3.08 -0.70 0.09 114.38 117.42 3br9 h ARG 304 Ca 0.27 -0.14 0.15 0.00 0.07 0.00 0.00 59.98 60.34 3br9 h ARG 304 Cb 0.04 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.97 3br9 h ARG 304 CO -0.04 0.61 0.49 0.00 -1.07 0.00 0.00 179.97 179.96 3br9 h ALA 305 N 0.76 1.37 -0.00 0.04 0.00 -0.87 -0.45 119.26 120.10 3br9 h ALA 305 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3br9 h ALA 305 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3br9 h ALA 305 CO 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.17 3br9 n ALA 306 N -2.40 2.65 -4.00 0.00 0.00 -0.25 -4.91 120.51 111.59 3br9 n ALA 306 Ca 0.18 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 3br9 n ALA 306 Cb 0.45 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3br9 n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3br9 n LYS 307 N -1.03 -4.25 -2.23 0.00 5.02 -0.04 -4.83 118.16 110.80 3br9 n LYS 307 Ca 0.16 0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 56.53 3br9 n LYS 307 Cb 0.24 -5.13 -0.03 0.00 -0.02 0.00 0.00 35.03 30.09 3br9 n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3br9 s LEU 308 N -7.14 4.42 -0.11 -0.35 1.43 -0.82 -4.98 118.68 111.12 3br9 s LEU 308 Ca 0.47 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.74 3br9 s LEU 308 Cb -0.25 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 3br9 s LEU 308 CO 0.87 -0.51 0.69 -1.10 0.23 0.00 0.00 176.35 176.53 3br9 s GLN 309 N -0.22 4.36 -1.37 1.70 -1.52 -1.26 -4.25 119.66 117.10 3br9 s GLN 309 Ca 0.56 0.81 -0.03 0.00 -1.95 0.00 0.00 55.36 54.75 3br9 s GLN 309 Cb -0.36 -3.49 0.02 0.00 -0.22 0.00 0.00 33.01 28.95 3br9 s GLN 309 CO 0.39 -0.05 0.68 -3.47 -0.25 0.00 0.00 175.29 172.58 3br9 n ASP 310 N 4.27 -1.57 -4.75 5.90 2.03 -1.26 -0.82 116.55 120.34 3br9 n ASP 310 Ca -0.01 -0.86 -0.42 0.00 0.52 0.00 0.00 54.79 54.03 3br9 n ASP 310 Cb 0.51 -3.77 -0.00 0.00 -0.72 0.00 0.00 41.12 37.13 3br9 n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3br9 s THR 312 N -1.03 1.26 0.17 0.00 2.01 0.63 -4.98 115.64 113.70 3br9 s THR 312 Ca 0.55 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 62.10 3br9 s THR 312 Cb -0.50 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3br9 s THR 312 CO 0.62 0.39 0.14 -0.04 -0.69 0.00 0.00 174.62 175.05 3br9 s MET 313 N 1.10 2.92 -0.09 4.92 -1.94 -1.26 -0.49 119.30 124.46 3br9 s MET 313 Ca -0.06 -0.87 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 3br9 s MET 313 Cb -0.14 -2.65 0.03 0.00 2.01 0.00 0.00 34.83 34.07 3br9 s MET 313 CO -0.02 0.48 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.26 3br9 s LEU 314 N -3.13 0.93 -0.06 -0.03 2.96 0.83 -4.08 118.68 116.09 3br9 s LEU 314 Ca 0.31 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3br9 s LEU 314 Cb -0.10 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 45.96 3br9 s LEU 314 CO 0.24 -0.15 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.30 3br9 s VAL 315 N 1.78 1.16 -0.33 1.68 1.01 0.37 -0.79 120.40 125.28 3br9 s VAL 315 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3br9 s VAL 315 Cb -0.13 -1.05 0.10 0.00 0.00 0.00 0.00 36.38 35.31 3br9 s VAL 315 CO -0.06 0.36 0.10 0.20 0.00 0.00 0.00 175.10 175.70 3br9 s ASN 316 N 0.56 4.15 1.76 3.32 -0.87 0.49 -0.63 114.94 123.72 3br9 s ASN 316 Ca -0.13 -1.88 0.00 0.00 -1.57 0.00 0.00 52.86 49.29 3br9 s ASN 316 Cb -0.15 -1.06 0.00 0.00 -0.02 0.00 0.00 41.25 40.02 3br9 s ASN 316 CO 0.03 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.79 3br9 n GLY 317 N 4.56 3.06 0.18 0.66 0.00 -1.26 -0.84 105.19 111.55 3br9 n GLY 317 Ca 0.01 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.99 3br9 n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3br9 n ASP 318 N 6.31 0.57 -4.62 1.61 5.75 -1.26 -3.79 116.55 121.11 3br9 n ASP 318 Ca 0.00 -1.16 -0.39 0.00 -0.01 0.00 0.00 54.79 53.23 3br9 n ASP 318 Cb 0.00 -0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 3br9 n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3br9 s ASP 319 N -2.02 6.38 -0.07 -1.12 -1.08 -0.02 -4.53 116.67 114.20 3br9 s ASP 319 Ca 0.43 0.45 0.02 0.00 -0.52 0.00 0.00 52.55 52.93 3br9 s ASP 319 Cb 0.22 -2.25 0.02 0.00 -1.46 0.00 0.00 42.92 39.44 3br9 s ASP 319 CO 0.36 -0.23 -0.11 -0.22 0.52 0.00 0.00 175.17 175.49 3br9 s LEU 320 N 2.12 1.57 -0.05 -1.34 2.96 -1.26 -0.38 118.68 122.31 3br9 s LEU 320 Ca 0.19 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3br9 s LEU 320 Cb -0.16 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 45.72 3br9 s LEU 320 CO 0.09 0.01 -0.15 0.54 -1.32 0.00 0.00 176.35 175.52 3br9 s VAL 321 N 0.82 1.31 -0.04 1.68 0.11 0.03 -1.14 120.40 123.17 3br9 s VAL 321 Ca -0.12 -0.64 0.07 0.00 -2.93 0.00 0.00 61.98 58.37 3br9 s VAL 321 Cb -0.15 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3br9 s VAL 321 CO 0.02 0.39 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.23 3br9 s VAL 322 N 0.20 2.08 -0.08 2.04 1.01 -0.18 -0.12 120.40 125.35 3br9 s VAL 322 Ca -0.07 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.86 3br9 s VAL 322 Cb -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3br9 s VAL 322 CO 0.03 0.58 -0.16 -0.63 0.00 0.00 0.00 175.10 174.91 3br9 s ILE 323 N -0.38 1.43 0.21 2.22 1.01 0.36 -1.11 121.20 124.95 3br9 s ILE 323 Ca 0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 3br9 s ILE 323 Cb -0.12 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.07 3br9 s ILE 323 CO 0.02 0.42 0.32 0.00 0.00 0.00 0.00 174.94 175.69 3br9 s GLU 325 N -2.38 4.18 0.54 0.00 0.41 -0.00 -0.72 118.70 120.73 3br9 s GLU 325 Ca 0.15 1.23 -0.22 0.00 -0.41 0.00 0.00 54.97 55.73 3br9 s GLU 325 Cb -0.01 -3.68 -0.05 0.00 -1.78 0.00 0.00 34.13 28.61 3br9 s GLU 325 CO 0.11 -0.73 1.35 0.45 -0.49 0.00 0.00 175.26 175.94 3br9 s SER 326 N 1.38 5.32 -0.16 -0.19 0.15 0.22 -4.46 113.70 115.97 3br9 s SER 326 Ca 0.44 2.74 0.17 0.00 0.70 0.00 0.00 55.95 60.00 3br9 s SER 326 Cb -0.14 -2.63 0.37 0.00 -1.71 0.00 0.00 66.02 61.91 3br9 s SER 326 CO 0.10 -1.53 1.24 0.00 1.20 0.00 0.00 173.24 174.25 3br9 n ALA 327 N -1.00 2.64 0.00 5.45 0.00 -1.26 -4.86 120.51 121.48 3br9 n ALA 327 Ca 0.10 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.94 3br9 n ALA 327 Cb 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3br9 n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3br9 n GLY 328 N -1.15 2.28 0.33 0.00 0.00 -1.26 -4.40 105.19 100.99 3br9 n GLY 328 Ca 0.18 -1.84 0.18 0.00 0.00 0.00 0.00 46.02 44.55 3br9 n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3br9 h THR 329 N 0.00 0.40 0.05 2.61 2.02 -1.99 -0.69 112.91 115.32 3br9 h THR 329 Ca 0.00 -0.13 -0.36 0.00 0.77 0.00 0.00 66.41 66.69 3br9 h THR 329 Cb 0.00 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.34 3br9 h THR 329 CO 0.00 0.07 -2.10 1.67 0.37 0.00 0.00 175.52 175.53 3br9 n GLN 330 N -5.03 0.70 0.02 6.66 7.27 -1.26 -2.27 117.38 123.46 3br9 n GLN 330 Ca 0.27 0.21 -0.06 0.00 0.07 0.00 0.00 57.00 57.48 3br9 n GLN 330 Cb 0.81 -1.66 0.12 0.00 2.41 0.00 0.00 30.24 31.93 3br9 n GLN 330 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3br9 h GLU 331 N 0.03 0.46 -0.31 3.69 4.39 -1.75 -1.10 114.58 120.00 3br9 h GLU 331 Ca -0.45 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.04 3br9 h GLU 331 Cb 2.03 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.65 3br9 h GLU 331 CO 0.04 0.82 0.11 -0.44 -1.16 0.00 0.00 179.01 178.38 3br9 h ASP 332 N 0.38 0.12 -0.61 1.42 3.32 -1.21 0.11 116.42 119.96 3br9 h ASP 332 Ca 0.03 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3br9 h ASP 332 Cb 0.94 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 3br9 h ASP 332 CO 0.08 0.10 0.37 0.00 -1.72 0.00 0.00 179.24 178.08 3br9 h ALA 333 N 1.20 1.50 -0.53 3.45 0.00 -1.02 -1.47 119.26 122.39 3br9 h ALA 333 Ca 0.14 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3br9 h ALA 333 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3br9 h ALA 333 CO -0.14 0.44 -0.10 0.00 0.00 0.00 0.00 179.25 179.45 3br9 h ALA 334 N 1.57 0.72 -0.31 0.00 0.00 -0.45 -2.64 119.26 118.14 3br9 h ALA 334 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3br9 h ALA 334 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3br9 h ALA 334 CO -0.04 0.63 0.16 0.77 0.00 0.00 0.00 179.25 180.76 3br9 h SER 335 N 0.87 0.41 0.16 0.00 0.02 0.17 -2.10 113.55 113.07 3br9 h SER 335 Ca 0.14 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3br9 h SER 335 Cb 0.66 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3br9 h SER 335 CO 0.05 0.41 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.87 3br9 h LEU 336 N 0.38 0.09 -0.31 5.07 3.38 -1.22 0.27 115.31 122.98 3br9 h LEU 336 Ca 0.11 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3br9 h LEU 336 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3br9 h LEU 336 CO -0.01 0.31 -0.13 0.03 0.09 0.00 0.00 178.44 178.72 3br9 h ARG 337 N 0.09 0.64 -0.22 1.13 3.08 -1.19 0.13 114.38 118.04 3br9 h ARG 337 Ca 0.02 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 3br9 h ARG 337 Cb 0.42 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3br9 h ARG 337 CO 0.03 0.85 -0.19 0.28 -1.07 0.00 0.00 179.97 179.88 3br9 h VAL 338 N 0.40 1.32 -0.64 2.04 2.07 -0.54 0.06 116.25 120.95 3br9 h VAL 338 Ca 0.07 -1.33 0.13 0.00 0.82 0.00 0.00 66.70 66.40 3br9 h VAL 338 Cb 0.65 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 3br9 h VAL 338 CO 0.04 0.41 0.06 0.15 0.02 0.00 0.00 177.57 178.25 3br9 h PHE 339 N 0.21 0.06 -0.43 1.57 3.57 -0.46 0.30 116.94 121.77 3br9 h PHE 339 Ca 0.04 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3br9 h PHE 339 Cb 0.72 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3br9 h PHE 339 CO 0.07 -0.13 -0.03 1.15 -2.23 0.00 0.00 178.31 177.14 3br9 h THR 340 N 0.17 1.27 -0.77 4.41 2.02 -0.18 0.67 112.91 120.50 3br9 h THR 340 Ca 0.34 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 3br9 h THR 340 Cb 0.56 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3br9 h THR 340 CO -0.51 0.37 0.31 -0.33 0.37 0.00 0.00 175.52 175.73 3br9 h GLU 341 N 0.60 1.15 0.38 6.66 5.08 -0.42 0.10 114.58 128.14 3br9 h GLU 341 Ca 0.12 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3br9 h GLU 341 Cb 0.53 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3br9 h GLU 341 CO 0.03 0.93 -0.18 0.00 -1.00 0.00 0.00 179.01 178.78 3br9 h ALA 342 N 1.16 -0.52 -0.78 3.43 0.00 0.03 -0.71 119.26 121.88 3br9 h ALA 342 Ca 0.26 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.21 3br9 h ALA 342 Cb 0.20 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 3br9 h ALA 342 CO -0.02 -0.74 0.15 0.52 0.00 0.00 0.00 179.25 179.15 3br9 h MET 343 N -0.61 0.20 -0.32 0.00 2.86 -0.77 -1.71 114.93 114.58 3br9 h MET 343 Ca -0.05 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3br9 h MET 343 Cb 0.45 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3br9 h MET 343 CO 0.09 0.13 0.03 1.15 1.06 0.00 0.00 176.91 179.37 3br9 h THR 344 N 0.21 1.24 -0.24 2.22 2.02 -0.53 0.10 112.91 117.93 3br9 h THR 344 Ca 0.45 -0.87 0.07 0.00 0.77 0.00 0.00 66.41 66.83 3br9 h THR 344 Cb 0.82 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3br9 h THR 344 CO -0.59 0.29 0.20 0.03 0.37 0.00 0.00 175.52 175.81 3br9 h ARG 345 N 0.37 0.00 -0.30 6.66 3.08 -0.67 -0.86 114.38 122.66 3br9 h ARG 345 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3br9 h ARG 345 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3br9 h ARG 345 CO 0.01 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.57 3br9 n TYR 346 N -4.25 0.39 -2.87 3.04 4.01 -0.45 -0.28 117.16 116.75 3br9 n TYR 346 Ca 0.03 -0.20 -0.10 0.00 -0.16 0.00 0.00 57.90 57.47 3br9 n TYR 346 Cb 0.34 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.43 3br9 n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3br9 n SER 347 N 0.47 -2.12 -3.04 7.72 2.88 -0.33 -4.90 113.62 114.31 3br9 n SER 347 Ca 0.13 -0.38 -0.17 0.00 -1.33 0.00 0.00 58.87 57.12 3br9 n SER 347 Cb 0.31 -3.35 -0.01 0.00 -0.75 0.00 0.00 64.21 60.41 3br9 n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3br9 n ALA 348 N -2.91 1.08 -1.42 -1.46 0.00 0.23 -4.55 120.51 111.47 3br9 n ALA 348 Ca -0.17 -2.73 -0.32 0.00 0.00 0.00 0.00 53.44 50.21 3br9 n ALA 348 Cb 0.60 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 19.12 3br9 n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3br9 s PRO 349 N -1.05 2.60 0.56 0.00 0.04 -1.26 -3.95 135.00 131.93 3br9 s PRO 349 Ca 0.34 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 3br9 s PRO 349 Cb 0.26 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.81 3br9 s PRO 349 CO -0.11 -1.40 1.00 -1.25 0.04 0.00 0.00 177.00 175.28 3br9 s PRO 350 N -4.35 3.81 0.00 0.56 0.04 -1.26 -0.83 135.00 132.97 3br9 s PRO 350 Ca 0.65 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3br9 s PRO 350 Cb -0.20 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3br9 s PRO 350 CO 0.46 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.52 3br9 n GLY 351 N -2.04 1.11 3.69 0.56 0.00 -0.06 -4.13 105.19 104.32 3br9 n GLY 351 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3br9 n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3br9 s ASP 352 N -1.00 6.62 0.50 1.61 1.01 -1.26 -4.95 116.67 119.20 3br9 s ASP 352 Ca 0.00 2.48 -0.22 0.00 0.71 0.00 0.00 52.55 55.52 3br9 s ASP 352 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 3br9 s ASP 352 CO 0.00 -0.87 1.20 -2.16 0.21 0.00 0.00 175.17 173.56 3br9 s PRO 353 N 2.44 3.48 0.49 8.23 0.04 -1.26 -4.34 135.00 144.08 3br9 s PRO 353 Ca 0.73 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 63.41 3br9 s PRO 353 Cb -0.40 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.80 3br9 s PRO 353 CO 0.32 -0.80 1.06 -1.25 0.04 0.00 0.00 177.00 176.37 3br9 s PRO 354 N -2.90 3.73 -0.01 0.56 0.04 -1.26 -4.99 135.00 130.17 3br9 s PRO 354 Ca 0.68 1.44 0.05 0.00 0.04 0.00 0.00 61.00 63.21 3br9 s PRO 354 Cb -0.30 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 3br9 s PRO 354 CO 0.36 -0.50 -0.16 -0.65 0.04 0.00 0.00 177.00 176.08 3br9 s GLN 355 N -3.17 1.29 0.23 4.56 -1.52 -1.26 -4.93 119.66 114.86 3br9 s GLN 355 Ca 0.68 -0.61 -0.30 0.00 -1.95 0.00 0.00 55.36 53.18 3br9 s GLN 355 Cb -0.19 -1.26 -0.09 0.00 -0.22 0.00 0.00 33.01 31.25 3br9 s GLN 355 CO 0.22 0.34 1.26 -1.25 -0.25 0.00 0.00 175.29 175.61 3br9 s PRO 356 N -0.47 4.44 0.08 2.91 0.04 -1.26 -4.52 135.00 136.22 3br9 s PRO 356 Ca 0.06 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.21 3br9 s PRO 356 Cb -0.06 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 3br9 s PRO 356 CO -0.00 -0.14 -0.26 -1.21 0.04 0.00 0.00 177.00 175.43 3br9 s GLU 357 N -0.67 1.69 0.00 4.56 0.41 0.90 -4.98 118.70 120.61 3br9 s GLU 357 Ca 0.53 -1.18 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 3br9 s GLU 357 Cb -0.36 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 3br9 s GLU 357 CO 0.41 0.49 0.86 0.66 -0.49 0.00 0.00 175.26 177.20 3br9 n TYR 358 N 1.42 0.00 -3.82 1.61 4.01 -1.26 -1.32 117.16 117.80 3br9 n TYR 358 Ca -0.17 -0.37 -0.29 0.00 -0.16 0.00 0.00 57.90 56.91 3br9 n TYR 358 Cb 0.52 -0.04 -0.16 0.00 -0.31 0.00 0.00 39.34 39.36 3br9 n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3br9 s ASP 359 N -0.75 3.41 0.35 7.72 -1.08 -1.26 -4.97 116.67 120.10 3br9 s ASP 359 Ca 0.00 -1.05 0.15 0.00 -0.52 0.00 0.00 52.55 51.12 3br9 s ASP 359 Cb 0.00 -0.87 1.05 0.00 -1.46 0.00 0.00 42.92 41.65 3br9 s ASP 359 CO 0.00 -0.29 1.70 0.25 0.52 0.00 0.00 175.17 177.35 3br9 h LEU 360 N 8.10 0.54 -0.50 -1.34 5.85 -1.97 0.13 115.31 126.12 3br9 h LEU 360 Ca -0.16 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3br9 h LEU 360 Cb 1.09 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3br9 h LEU 360 CO 0.38 -0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 177.83 3br9 n GLU 361 N -4.91 0.16 0.00 1.25 1.02 -1.26 -1.05 120.64 115.84 3br9 n GLU 361 Ca 0.30 0.37 0.11 0.00 -0.02 0.00 0.00 57.16 57.92 3br9 n GLU 361 Cb 0.93 -1.78 0.10 0.00 -0.02 0.00 0.00 31.44 30.67 3br9 n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3br9 n LEU 362 N -2.08 1.05 -4.62 -4.62 4.77 0.44 -4.57 117.00 107.37 3br9 n LEU 362 Ca 0.03 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 3br9 n LEU 362 Cb 0.23 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3br9 n LEU 362 CO 0.19 0.23 0.78 -0.63 -1.33 0.00 0.00 177.39 176.63 3br9 s ILE 363 N -2.81 4.62 -0.26 -0.08 1.01 -0.21 -5.00 121.20 118.46 3br9 s ILE 363 Ca 0.14 1.38 -0.17 0.00 0.00 0.00 0.00 60.65 62.00 3br9 s ILE 363 Cb 0.17 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3br9 s ILE 363 CO 0.70 -0.43 0.47 -0.89 0.00 0.00 0.00 174.94 174.79 3br9 s THR 364 N 3.38 5.10 -0.02 2.92 2.01 -1.25 -4.26 115.64 123.52 3br9 s THR 364 Ca 0.39 0.78 -0.02 0.00 0.31 0.00 0.00 61.69 63.16 3br9 s THR 364 Cb -0.13 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3br9 s THR 364 CO 0.16 0.10 0.05 -0.94 -0.69 0.00 0.00 174.62 173.30 3br9 s SER 365 N 1.58 -0.04 -1.53 3.53 1.04 0.15 -4.74 113.70 113.69 3br9 s SER 365 Ca 0.19 0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 3br9 s SER 365 Cb -0.16 0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.13 3br9 s SER 365 CO 0.09 -0.04 0.86 0.00 0.98 0.00 0.00 173.24 175.13 3br9 n SER 367 N -2.84 -5.62 -4.28 0.00 7.64 -1.26 -4.93 113.62 102.32 3br9 n SER 367 Ca -0.03 0.30 -0.15 0.00 1.01 0.00 0.00 58.87 60.00 3br9 n SER 367 Cb 0.55 -4.20 -0.10 0.00 -1.01 0.00 0.00 64.21 59.46 3br9 n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3br9 s SER 368 N -2.48 1.61 0.03 6.43 0.01 -0.68 -4.41 113.70 114.22 3br9 s SER 368 Ca 0.00 -1.15 -0.05 0.00 1.31 0.00 0.00 55.95 56.06 3br9 s SER 368 Cb 0.00 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 3br9 s SER 368 CO 0.00 -0.49 0.08 0.54 0.41 0.00 0.00 173.24 173.78 3br9 s ASN 369 N -3.23 0.20 0.32 2.44 4.22 -0.90 0.29 114.94 118.28 3br9 s ASN 369 Ca 0.24 -0.54 -0.28 0.00 -2.14 0.00 0.00 52.86 50.13 3br9 s ASN 369 Cb 0.05 0.21 -0.10 0.00 1.28 0.00 0.00 41.25 42.69 3br9 s ASN 369 CO 0.05 -0.48 1.22 -0.69 -2.04 0.00 0.00 177.10 175.16 3br9 s VAL 370 N -2.50 3.02 0.31 3.54 1.01 -1.26 -1.92 120.40 122.59 3br9 s VAL 370 Ca -0.06 1.01 0.05 0.00 0.00 0.00 0.00 61.98 62.98 3br9 s VAL 370 Cb -0.02 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3br9 s VAL 370 CO -0.04 0.22 0.23 -0.55 0.00 0.00 0.00 175.10 174.96 3br9 s SER 371 N -0.70 1.42 -0.04 3.32 0.15 0.33 -4.41 113.70 113.78 3br9 s SER 371 Ca 0.48 -1.67 0.04 0.00 0.70 0.00 0.00 55.95 55.51 3br9 s SER 371 Cb -0.36 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 3br9 s SER 371 CO 0.47 -1.00 -0.17 0.54 1.20 0.00 0.00 173.24 174.29 3br9 s VAL 372 N -3.59 1.39 0.05 4.45 0.11 -1.26 -1.04 120.40 120.51 3br9 s VAL 372 Ca 0.39 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 3br9 s VAL 372 Cb 0.04 -1.19 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 3br9 s VAL 372 CO 0.23 0.40 0.03 0.00 -3.33 0.00 0.00 175.10 172.43 3br9 n ALA 373 N 3.04 0.09 -2.60 1.54 0.00 -0.08 -3.07 120.51 119.43 3br9 n ALA 373 Ca -0.17 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 3br9 n ALA 373 Cb 0.53 0.20 -0.16 0.00 0.00 0.00 0.00 19.45 20.03 3br9 n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3br9 s HIS 374 N -2.04 1.63 0.30 0.00 3.76 -0.12 0.14 115.29 118.97 3br9 s HIS 374 Ca 0.04 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 3br9 s HIS 374 Cb 0.00 -1.07 0.07 0.00 1.11 0.00 0.00 32.58 32.69 3br9 s HIS 374 CO 0.03 -0.07 0.42 -0.40 -0.85 0.00 0.00 174.74 173.87 3br9 n ASP 375 N 2.78 0.22 -0.26 1.40 3.85 -0.33 -0.41 116.55 123.80 3br9 n ASP 375 Ca -0.16 -1.27 0.03 0.00 -0.71 0.00 0.00 54.79 52.69 3br9 n ASP 375 Cb 0.54 -0.30 0.26 0.00 -1.35 0.00 0.00 41.12 40.26 3br9 n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3br9 h ALA 376 N -1.32 1.52 0.00 2.12 0.00 -1.89 -1.77 119.26 117.92 3br9 h ALA 376 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3br9 h ALA 376 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3br9 h ALA 376 CO 0.11 0.38 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 3br9 n SER 377 N -4.46 0.00 0.00 0.00 3.41 -1.26 -4.83 113.62 106.48 3br9 n SER 377 Ca 0.11 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 3br9 n SER 377 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3br9 n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3br9 n GLY 378 N 0.56 1.37 3.75 5.00 0.00 -0.67 -5.03 105.19 110.19 3br9 n GLY 378 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3br9 n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3br9 s LYS 379 N -0.37 4.63 0.10 1.61 2.20 -1.26 -4.76 119.74 121.89 3br9 s LYS 379 Ca 0.00 1.25 -0.31 0.00 -0.36 0.00 0.00 55.97 56.55 3br9 s LYS 379 Cb 0.00 -3.31 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 3br9 s LYS 379 CO 0.00 0.41 1.56 1.03 -0.36 0.00 0.00 175.35 178.00 3br9 s ARG 380 N -0.64 4.23 -0.03 4.03 0.52 -1.26 -1.19 118.95 124.62 3br9 s ARG 380 Ca 0.40 2.26 0.08 0.00 -0.52 0.00 0.00 55.73 57.94 3br9 s ARG 380 Cb -0.23 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.81 3br9 s ARG 380 CO 0.27 -0.64 -0.25 0.08 0.02 0.00 0.00 175.30 174.78 3br9 s VAL 381 N 1.94 2.12 0.08 3.52 1.01 0.37 -4.92 120.40 124.52 3br9 s VAL 381 Ca 0.70 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 3br9 s VAL 381 Cb -0.40 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 3br9 s VAL 381 CO 0.31 0.58 0.54 -0.31 0.00 0.00 0.00 175.10 176.22 3br9 s TYR 382 N -0.57 3.76 0.22 5.22 2.02 -1.26 -0.91 117.35 125.82 3br9 s TYR 382 Ca 0.09 1.19 -0.14 0.00 -0.37 0.00 0.00 57.07 57.84 3br9 s TYR 382 Cb -0.10 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.02 3br9 s TYR 382 CO -0.00 0.56 0.47 1.52 -1.57 0.00 0.00 175.55 176.53 3br9 s TYR 383 N -1.18 0.19 -0.14 2.71 1.13 -0.21 -4.97 117.35 114.89 3br9 s TYR 383 Ca 0.30 -0.55 -0.06 0.00 -1.41 0.00 0.00 57.07 55.35 3br9 s TYR 383 Cb -0.18 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 3br9 s TYR 383 CO 0.18 -0.94 0.06 -1.17 -2.51 0.00 0.00 175.55 171.18 3br9 s LEU 384 N -2.96 3.86 0.00 -3.49 2.96 -1.26 -0.51 118.68 117.28 3br9 s LEU 384 Ca 0.17 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 3br9 s LEU 384 Cb -0.00 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3br9 s LEU 384 CO 0.04 0.29 0.11 1.07 -1.32 0.00 0.00 176.35 176.54 3br9 n THR 385 N 2.75 0.00 -3.86 3.68 5.66 -0.81 -4.71 114.28 117.00 3br9 n THR 385 Ca -0.18 -1.14 -0.07 0.00 -3.05 0.00 0.00 64.05 59.61 3br9 n THR 385 Cb 0.53 0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 69.81 3br9 n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3br9 s ARG 386 N -2.67 1.84 0.17 1.09 1.70 -1.26 -2.13 118.95 117.69 3br9 s ARG 386 Ca 0.16 -1.06 -0.31 0.00 -0.47 0.00 0.00 55.73 54.04 3br9 s ARG 386 Cb 0.01 0.61 -0.11 0.00 -0.57 0.00 0.00 34.95 34.88 3br9 s ARG 386 CO 0.11 -0.84 1.79 0.34 -1.08 0.00 0.00 175.30 175.62 3br9 s ASP 387 N -2.94 6.39 0.00 -2.89 -1.08 -1.26 -4.88 116.67 110.00 3br9 s ASP 387 Ca 0.12 2.83 0.16 0.00 -0.52 0.00 0.00 52.55 55.15 3br9 s ASP 387 Cb -0.06 -2.58 0.60 0.00 -1.46 0.00 0.00 42.92 39.42 3br9 s ASP 387 CO 0.08 -1.00 1.44 -0.81 0.52 0.00 0.00 175.17 175.40 3br9 n PRO 388 N 4.92 1.68 0.32 4.34 -0.04 -1.26 -4.40 135.00 140.55 3br9 n PRO 388 Ca 0.17 -1.03 -0.17 0.00 -0.04 0.00 0.00 63.50 62.43 3br9 n PRO 388 Cb 0.37 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 3br9 n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3br9 h THR 389 N 1.91 0.44 -0.32 0.52 2.02 -1.95 0.10 112.91 115.63 3br9 h THR 389 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3br9 h THR 389 Cb 0.43 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3br9 h THR 389 CO 0.00 0.00 0.09 0.74 0.37 0.00 0.00 175.52 176.72 3br9 h THR 390 N -0.78 1.21 -0.83 3.16 2.02 -1.96 0.69 112.91 116.43 3br9 h THR 390 Ca -0.08 -0.70 0.17 0.00 0.77 0.00 0.00 66.41 66.57 3br9 h THR 390 Cb 0.59 1.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.96 3br9 h THR 390 CO 0.13 0.24 0.36 -0.65 0.37 0.00 0.00 175.52 175.97 3br9 h PRO 391 N 0.36 0.46 -0.08 6.66 0.11 -1.79 -0.56 132.00 137.16 3br9 h PRO 391 Ca 0.10 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.94 3br9 h PRO 391 Cb 0.27 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.29 3br9 h PRO 391 CO -0.00 0.30 -0.90 -0.07 -0.21 0.00 0.00 178.00 177.12 3br9 h LEU 392 N 0.47 0.89 -0.78 2.35 3.38 -0.42 -0.12 115.31 121.08 3br9 h LEU 392 Ca 0.48 -0.64 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3br9 h LEU 392 Cb 0.78 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3br9 h LEU 392 CO -0.44 1.44 0.45 0.00 0.09 0.00 0.00 178.44 179.98 3br9 h ALA 393 N 0.52 1.08 -0.26 1.53 0.00 -0.70 0.24 119.26 121.67 3br9 h ALA 393 Ca -0.09 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3br9 h ALA 393 Cb 1.54 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3br9 h ALA 393 CO 0.18 0.12 -0.34 0.00 0.00 0.00 0.00 179.25 179.21 3br9 h ARG 394 N 0.79 0.69 -0.66 0.00 3.08 -0.99 -1.79 114.38 115.50 3br9 h ARG 394 Ca 0.36 -0.39 0.06 0.00 0.07 0.00 0.00 59.98 60.08 3br9 h ARG 394 Cb 0.26 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3br9 h ARG 394 CO -0.21 1.01 0.44 0.00 -1.07 0.00 0.00 179.97 180.13 3br9 h ALA 395 N 0.67 1.77 -0.49 0.04 0.00 -0.77 0.12 119.26 120.60 3br9 h ALA 395 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3br9 h ALA 395 Cb 0.92 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3br9 h ALA 395 CO 0.08 0.13 0.10 0.00 0.00 0.00 0.00 179.25 179.56 3br9 h ALA 396 N 1.64 0.64 -0.18 0.00 0.00 -0.07 0.69 119.26 121.99 3br9 h ALA 396 Ca 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3br9 h ALA 396 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3br9 h ALA 396 CO -0.09 0.35 0.05 2.35 0.00 0.00 0.00 179.25 181.92 3br9 h TRP 397 N 0.67 0.29 0.00 0.00 2.91 -0.48 -2.92 115.95 116.41 3br9 h TRP 397 Ca 0.15 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.14 3br9 h TRP 397 Cb 0.36 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 3br9 h TRP 397 CO 0.02 0.38 0.00 0.93 -1.03 0.00 0.00 178.44 178.74 3br9 h GLU 398 N 0.11 0.00 -0.08 2.65 5.08 -0.58 0.55 114.58 122.31 3br9 h GLU 398 Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3br9 h GLU 398 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3br9 h GLU 398 CO -0.00 0.00 -0.51 1.15 -1.00 0.00 0.00 179.01 178.65 3br9 h THR 399 N 0.00 1.35 0.00 1.13 2.02 -0.66 -3.33 112.91 113.42 3br9 h THR 399 Ca 0.00 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.43 3br9 h THR 399 Cb 0.18 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3br9 h THR 399 CO 0.00 0.52 -1.29 0.00 0.37 0.00 0.00 175.52 175.12 3br9 n ALA 400 N -2.47 2.80 -3.09 6.16 0.00 -0.70 -4.84 120.51 118.38 3br9 n ALA 400 Ca -0.02 -0.32 -0.20 0.00 0.00 0.00 0.00 53.44 52.90 3br9 n ALA 400 Cb 0.54 -0.44 -0.16 0.00 0.00 0.00 0.00 19.45 19.40 3br9 n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3br9 s ARG 401 N -2.67 0.99 0.20 0.00 1.81 0.10 -4.92 118.95 114.46 3br9 s ARG 401 Ca -0.02 -0.30 -0.30 0.00 -1.72 0.00 0.00 55.73 53.39 3br9 s ARG 401 Cb 0.08 -0.92 -0.09 0.00 -0.45 0.00 0.00 34.95 33.57 3br9 s ARG 401 CO 0.52 0.10 1.40 -1.01 -0.68 0.00 0.00 175.30 175.63 3br9 s HIS 402 N 0.26 3.14 0.12 -0.53 3.76 -1.26 -4.22 115.29 116.56 3br9 s HIS 402 Ca -0.04 1.04 0.05 0.00 -0.15 0.00 0.00 55.06 55.96 3br9 s HIS 402 Cb -0.09 -3.74 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 3br9 s HIS 402 CO 0.01 -2.43 -0.13 0.95 -0.85 0.00 0.00 174.74 172.28 3br9 s THR 403 N 0.31 1.27 0.34 1.30 -4.23 -1.26 -5.03 115.64 108.34 3br9 s THR 403 Ca 0.60 -1.76 0.10 0.00 -1.18 0.00 0.00 61.69 59.45 3br9 s THR 403 Cb -0.39 -1.56 0.33 0.00 1.34 0.00 0.00 72.50 72.22 3br9 s THR 403 CO 0.38 -0.48 1.82 -0.65 -0.54 0.00 0.00 174.62 175.15 3br9 h PRO 404 N 3.41 0.65 -4.75 3.99 0.11 -1.96 -3.41 132.00 130.05 3br9 h PRO 404 Ca -0.39 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 3br9 h PRO 404 Cb 1.20 -0.15 -0.34 0.00 0.11 0.00 0.00 31.00 31.82 3br9 h PRO 404 CO 0.53 0.43 -0.83 0.08 -0.21 0.00 0.00 178.00 177.99 3br9 s VAL 405 N -5.70 1.39 -0.87 3.15 1.01 -1.26 -4.65 120.40 113.47 3br9 s VAL 405 Ca -0.10 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 3br9 s VAL 405 Cb 0.24 -1.25 0.18 0.00 0.00 0.00 0.00 36.38 35.55 3br9 s VAL 405 CO 0.80 0.41 0.91 0.20 0.00 0.00 0.00 175.10 177.42 3br9 s ASN 406 N 0.65 6.71 0.35 3.32 0.01 0.40 -4.86 114.94 121.52 3br9 s ASN 406 Ca -0.14 -2.44 0.05 0.00 -0.71 0.00 0.00 52.86 49.62 3br9 s ASN 406 Cb -0.16 -2.28 0.71 0.00 0.41 0.00 0.00 41.25 39.93 3br9 s ASN 406 CO 0.04 -0.76 1.96 0.77 -1.51 0.00 0.00 177.10 177.59 3br9 h SER 407 N 8.19 0.69 -0.69 -1.22 4.64 -1.93 -1.03 113.55 122.20 3br9 h SER 407 Ca 0.13 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.56 3br9 h SER 407 Cb 1.03 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.90 3br9 h SER 407 CO 0.89 0.45 0.29 4.11 -0.87 0.00 0.00 176.83 181.70 3br9 h TRP 408 N 0.79 0.51 -0.09 4.77 5.08 -1.89 0.36 115.95 125.49 3br9 h TRP 408 Ca 0.32 0.03 -0.08 0.00 1.08 0.00 0.00 58.89 60.24 3br9 h TRP 408 Cb 0.23 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.27 3br9 h TRP 408 CO -0.00 0.12 -0.24 1.25 -1.28 0.00 0.00 178.44 178.29 3br9 h LEU 409 N 0.48 0.36 -0.62 0.11 5.85 -1.62 0.29 115.31 120.16 3br9 h LEU 409 Ca 0.36 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 58.61 3br9 h LEU 409 Cb 0.47 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 3br9 h LEU 409 CO -0.33 0.89 0.08 1.23 -0.34 0.00 0.00 178.44 179.98 3br9 h GLY 410 N -0.15 0.76 1.17 3.75 0.00 -1.01 -0.22 103.07 107.37 3br9 h GLY 410 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3br9 h GLY 410 CO 0.05 -0.16 0.06 3.43 0.00 0.00 0.00 176.54 179.92 3br9 h ASN 411 N 0.20 0.98 -0.52 0.19 2.35 0.08 0.15 115.58 119.01 3br9 h ASN 411 Ca 0.33 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3br9 h ASN 411 Cb 0.52 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3br9 h ASN 411 CO -0.47 0.99 0.20 0.40 -1.65 0.00 0.00 177.43 176.91 3br9 h ILE 412 N 0.95 1.21 0.28 2.81 2.04 -0.05 0.10 117.51 124.85 3br9 h ILE 412 Ca 0.18 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3br9 h ILE 412 Cb 0.46 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3br9 h ILE 412 CO 0.02 0.27 -0.13 0.40 0.00 0.00 0.00 178.15 178.70 3br9 h ILE 413 N 0.81 0.69 0.00 -0.67 2.04 -0.25 -2.19 117.51 117.94 3br9 h ILE 413 Ca 0.19 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 3br9 h ILE 413 Cb 0.19 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3br9 h ILE 413 CO -0.01 0.14 -0.38 0.24 0.00 0.00 0.00 178.15 178.13 3br9 h MET 414 N -0.82 0.00 -0.29 2.37 2.86 -0.71 -3.26 114.93 115.09 3br9 h MET 414 Ca -0.04 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 3br9 h MET 414 Cb 0.51 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 31.96 3br9 h MET 414 CO 0.06 0.38 -0.71 0.66 1.06 0.00 0.00 176.91 178.36 3br9 n TYR 415 N -3.48 1.02 -0.33 -0.22 4.01 0.35 -4.82 117.16 113.69 3br9 n TYR 415 Ca 0.00 -1.69 0.03 0.00 -0.16 0.00 0.00 57.90 56.08 3br9 n TYR 415 Cb 0.53 -0.27 0.21 0.00 -0.31 0.00 0.00 39.34 39.50 3br9 n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3br9 h ALA 416 N 1.52 1.45 0.00 -0.72 0.00 -1.44 -1.00 119.26 119.07 3br9 h ALA 416 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3br9 h ALA 416 Cb 1.30 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3br9 h ALA 416 CO 0.28 0.42 0.00 -0.35 0.00 0.00 0.00 179.25 179.60 3br9 n PRO 417 N -4.48 0.47 -2.42 0.00 -0.04 -1.26 -4.48 135.00 122.79 3br9 n PRO 417 Ca 0.14 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.32 3br9 n PRO 417 Cb 0.17 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.10 3br9 n PRO 417 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3br9 s THR 418 N -2.41 4.60 0.16 0.52 -4.23 -0.38 -4.91 115.64 108.98 3br9 s THR 418 Ca 0.27 1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 61.71 3br9 s THR 418 Cb 0.16 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 70.30 3br9 s THR 418 CO 0.35 -0.72 1.72 0.25 -0.54 0.00 0.00 174.62 175.69 3br9 h LEU 419 N 0.83 0.68 -0.05 4.79 5.85 -1.89 -2.42 115.31 123.10 3br9 h LEU 419 Ca -0.47 -0.15 -0.25 0.00 0.84 0.00 0.00 57.88 57.86 3br9 h LEU 419 Cb 1.19 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.05 3br9 h LEU 419 CO 0.62 0.64 -1.07 4.11 -0.34 0.00 0.00 178.44 182.40 3br9 h TRP 420 N 0.67 0.65 -0.38 1.25 5.08 -1.93 -1.49 115.95 119.81 3br9 h TRP 420 Ca 0.17 -0.39 -0.04 0.00 1.08 0.00 0.00 58.89 59.71 3br9 h TRP 420 Cb 0.15 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.24 3br9 h TRP 420 CO -0.00 1.24 0.10 0.00 -1.28 0.00 0.00 178.44 178.50 3br9 h ALA 421 N 0.62 0.50 -0.03 0.11 0.00 -1.80 -1.34 119.26 117.33 3br9 h ALA 421 Ca -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3br9 h ALA 421 Cb 1.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3br9 h ALA 421 CO 0.19 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 3br9 h ARG 422 N 0.47 0.10 -0.02 0.00 3.08 -1.42 0.04 114.38 116.62 3br9 h ARG 422 Ca 0.12 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 3br9 h ARG 422 Cb 0.29 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3br9 h ARG 422 CO -0.00 0.64 -0.84 0.52 -1.07 0.00 0.00 179.97 179.21 3br9 h MET 423 N -0.43 0.33 0.00 0.04 2.86 -1.36 -3.34 114.93 113.03 3br9 h MET 423 Ca 0.00 -0.32 -0.16 0.00 -2.06 0.00 0.00 59.70 57.16 3br9 h MET 423 Cb 0.63 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 3br9 h MET 423 CO 0.01 1.00 -1.38 -0.89 1.06 0.00 0.00 176.91 176.72 3br9 n ILE 424 N -3.75 1.05 0.23 -1.22 5.41 -0.52 -4.27 119.36 116.29 3br9 n ILE 424 Ca -0.05 -0.04 -0.15 0.00 1.00 0.00 0.00 62.75 63.52 3br9 n ILE 424 Cb 0.78 -1.82 -0.08 0.00 -0.71 0.00 0.00 39.64 37.80 3br9 n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3br9 h LEU 425 N -0.56 -0.48 -0.34 1.39 3.38 -1.29 0.04 115.31 117.45 3br9 h LEU 425 Ca -0.25 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3br9 h LEU 425 Cb 1.05 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3br9 h LEU 425 CO -0.15 -0.20 0.07 0.24 0.09 0.00 0.00 178.44 178.49 3br9 h MET 426 N -0.77 0.18 0.01 1.13 2.86 -1.14 -0.90 114.93 116.30 3br9 h MET 426 Ca -0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3br9 h MET 426 Cb 0.53 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3br9 h MET 426 CO 0.10 0.12 -0.00 1.15 1.06 0.00 0.00 176.91 179.33 3br9 h THR 427 N 0.19 1.06 -0.03 2.22 2.02 -1.66 -1.33 112.91 115.38 3br9 h THR 427 Ca 0.16 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3br9 h THR 427 Cb 0.18 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3br9 h THR 427 CO -0.21 0.05 -0.01 -0.74 0.37 0.00 0.00 175.52 174.98 3br9 h HIS 428 N -0.09 0.07 0.01 3.16 6.17 -0.78 -1.75 115.15 121.94 3br9 h HIS 428 Ca -0.00 -0.02 -0.22 0.00 0.71 0.00 0.00 60.37 60.84 3br9 h HIS 428 Cb 0.09 -0.02 -0.00 0.00 2.52 0.00 0.00 27.41 30.00 3br9 h HIS 428 CO -0.05 0.44 -0.95 0.74 0.71 0.00 0.00 177.93 178.81 3br9 h PHE 429 N -0.32 0.49 -0.27 5.26 0.04 -1.20 -1.90 116.94 119.05 3br9 h PHE 429 Ca 0.01 -0.28 -0.07 0.00 2.80 0.00 0.00 57.97 60.43 3br9 h PHE 429 Cb 0.42 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3br9 h PHE 429 CO 0.06 1.11 -0.14 0.74 -0.60 0.00 0.00 178.31 179.47 3br9 h PHE 430 N 0.17 0.50 -0.19 -0.55 0.04 -1.28 0.13 116.94 115.76 3br9 h PHE 430 Ca -0.07 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.63 3br9 h PHE 430 Cb 1.59 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 39.59 3br9 h PHE 430 CO 0.05 0.60 0.09 1.03 -0.60 0.00 0.00 178.31 179.48 3br9 h SER 431 N 0.43 0.13 -0.45 2.17 0.87 -1.06 0.40 113.55 116.04 3br9 h SER 431 Ca 0.08 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3br9 h SER 431 Cb 0.51 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 3br9 h SER 431 CO 0.03 0.11 0.16 0.40 -0.53 0.00 0.00 176.83 177.00 3br9 h ILE 432 N 0.20 1.21 -0.49 2.23 2.04 -0.87 -1.38 117.51 120.46 3br9 h ILE 432 Ca 0.08 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 3br9 h ILE 432 Cb 0.02 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3br9 h ILE 432 CO -0.06 0.25 -0.02 -0.07 0.00 0.00 0.00 178.15 178.25 3br9 h LEU 433 N 0.59 0.80 0.15 1.44 3.38 -0.30 -1.05 115.31 120.32 3br9 h LEU 433 Ca 0.15 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3br9 h LEU 433 Cb 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3br9 h LEU 433 CO -0.01 0.87 -0.36 -0.07 0.09 0.00 0.00 178.44 178.97 3br9 h LEU 434 N 0.76 -1.03 -1.50 1.67 3.38 -0.10 0.98 115.31 119.47 3br9 h LEU 434 Ca 0.14 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.29 3br9 h LEU 434 Cb 0.49 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 3br9 h LEU 434 CO 0.02 -0.45 0.42 0.00 0.09 0.00 0.00 178.44 178.53 3br9 h ALA 435 N -0.03 1.81 -0.34 1.53 0.00 -0.80 0.77 119.26 122.19 3br9 h ALA 435 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3br9 h ALA 435 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3br9 h ALA 435 CO -0.19 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.19 3br9 n GLN 436 N -4.48 2.13 -1.87 0.00 1.13 -0.44 -4.90 117.38 108.96 3br9 n GLN 436 Ca 0.09 -1.71 -0.03 0.00 -1.94 0.00 0.00 57.00 53.41 3br9 n GLN 436 Cb 0.25 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 3br9 n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3br9 n GLU 437 N 0.92 -2.05 -0.93 -1.09 1.02 0.26 -4.80 120.64 113.97 3br9 n GLU 437 Ca 0.17 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.34 3br9 n GLU 437 Cb 0.45 -4.47 0.19 0.00 -0.02 0.00 0.00 31.44 27.59 3br9 n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3br9 n GLN 438 N -1.97 2.57 -0.03 3.49 6.02 0.23 -4.44 117.38 123.25 3br9 n GLN 438 Ca -0.03 -2.48 -0.01 0.00 -0.01 0.00 0.00 57.00 54.47 3br9 n GLN 438 Cb 0.34 -2.00 0.28 0.00 1.02 0.00 0.00 30.24 29.87 3br9 n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3br9 h LEU 439 N 1.57 0.55 -0.02 1.08 3.38 -1.87 -2.97 115.31 117.05 3br9 h LEU 439 Ca 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3br9 h LEU 439 Cb 2.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.93 3br9 h LEU 439 CO 0.78 0.59 -0.01 -0.62 0.09 0.00 0.00 178.44 179.27 3br9 n GLU 440 N -4.29 0.46 -2.79 1.13 1.02 -1.26 -3.78 120.64 111.13 3br9 n GLU 440 Ca 0.02 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3br9 n GLU 440 Cb 0.23 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 3br9 n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3br9 s LYS 441 N -2.55 3.92 0.40 3.49 2.20 -1.12 -4.94 119.74 121.14 3br9 s LYS 441 Ca 0.29 0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 56.34 3br9 s LYS 441 Cb 0.20 -3.77 -0.10 0.00 -1.51 0.00 0.00 37.83 32.65 3br9 s LYS 441 CO 0.46 -0.88 1.45 0.00 -0.36 0.00 0.00 175.35 176.02 3br9 n ALA 442 N 6.68 2.15 -2.63 3.13 0.00 -1.26 -4.44 120.51 124.13 3br9 n ALA 442 Ca 0.08 0.31 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 3br9 n ALA 442 Cb 0.48 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.40 3br9 n ALA 442 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3br9 s LEU 443 N -2.19 2.16 0.18 0.00 1.43 0.11 -4.86 118.68 115.51 3br9 s LEU 443 Ca 0.56 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.95 3br9 s LEU 443 Cb -0.47 -0.62 -0.08 0.00 0.03 0.00 0.00 46.19 45.04 3br9 s LEU 443 CO 0.61 0.05 0.87 -1.81 0.23 0.00 0.00 176.35 176.30 3br9 s ASP 444 N -1.06 7.50 0.22 2.29 1.01 -1.26 -0.44 116.67 124.93 3br9 s ASP 444 Ca 0.02 1.78 -0.06 0.00 0.71 0.00 0.00 52.55 55.00 3br9 s ASP 444 Cb -0.08 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3br9 s ASP 444 CO 0.01 0.15 0.27 0.00 0.21 0.00 0.00 175.17 175.81 3br9 s GLN 446 N -4.10 2.58 -0.07 0.00 -0.21 -1.26 -0.71 119.66 115.90 3br9 s GLN 446 Ca 0.32 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.04 3br9 s GLN 446 Cb 0.04 -2.48 0.02 0.00 1.00 0.00 0.00 33.01 31.60 3br9 s GLN 446 CO 0.10 0.63 -0.04 0.42 -2.12 0.00 0.00 175.29 174.28 3br9 s ILE 447 N -0.83 0.63 -1.62 1.08 1.01 0.15 -4.77 121.20 116.84 3br9 s ILE 447 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 3br9 s ILE 447 Cb -0.11 -0.69 0.10 0.00 0.01 0.00 0.00 42.46 41.78 3br9 s ILE 447 CO 0.03 0.27 0.55 -1.22 0.00 0.00 0.00 174.94 174.57 3br9 n TYR 448 N 4.53 -1.58 -0.14 3.97 4.01 -1.26 -1.38 117.16 125.31 3br9 n TYR 448 Ca -0.17 0.74 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 3br9 n TYR 448 Cb 0.50 -3.02 0.00 0.00 -0.31 0.00 0.00 39.34 36.52 3br9 n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3br9 n GLY 449 N -1.70 2.05 3.81 2.72 0.00 -1.26 -1.08 105.19 109.73 3br9 n GLY 449 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3br9 n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3br9 s ALA 450 N -2.92 3.66 -0.13 4.61 0.00 -0.48 -3.95 121.76 122.55 3br9 s ALA 450 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 3br9 s ALA 450 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 3br9 s ALA 450 CO 0.00 0.77 0.33 0.00 0.00 0.00 0.00 175.76 176.86 3br9 s TYR 452 N 0.22 1.62 -0.26 0.00 2.02 0.11 0.11 117.35 121.16 3br9 s TYR 452 Ca 0.19 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 3br9 s TYR 452 Cb -0.14 -0.92 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 3br9 s TYR 452 CO 0.06 0.13 0.24 0.45 -1.57 0.00 0.00 175.55 174.86 3br9 s SER 453 N -1.62 6.12 -0.04 2.29 0.15 -1.26 -1.54 113.70 117.79 3br9 s SER 453 Ca 0.04 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.83 3br9 s SER 453 Cb -0.09 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 3br9 s SER 453 CO 0.03 -0.06 -0.06 -0.63 1.20 0.00 0.00 173.24 173.72 3br9 s ILE 454 N 1.67 0.64 -0.28 6.45 1.01 0.41 -4.89 121.20 126.21 3br9 s ILE 454 Ca 0.10 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.34 3br9 s ILE 454 Cb -0.15 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 3br9 s ILE 454 CO 0.09 0.23 0.56 -1.61 0.00 0.00 0.00 174.94 174.21 3br9 s GLU 455 N 0.61 4.01 0.31 2.79 2.02 -1.26 0.07 118.70 127.25 3br9 s GLU 455 Ca -0.09 0.32 0.06 0.00 0.02 0.00 0.00 54.97 55.28 3br9 s GLU 455 Cb -0.12 -3.68 0.84 0.00 0.10 0.00 0.00 34.13 31.27 3br9 s GLU 455 CO 0.01 -0.43 1.64 -1.35 0.02 0.00 0.00 175.26 175.14 3br9 h PRO 456 N 8.07 0.20 -0.51 0.39 0.11 -1.78 0.86 132.00 139.35 3br9 h PRO 456 Ca -0.28 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.97 3br9 h PRO 456 Cb 1.13 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3br9 h PRO 456 CO 0.75 0.13 0.41 -0.07 -0.21 0.00 0.00 178.00 179.01 3br9 h LEU 457 N 0.21 0.00 -0.02 2.35 3.38 -1.94 0.13 115.31 119.42 3br9 h LEU 457 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 3br9 h LEU 457 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3br9 h LEU 457 CO -0.67 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.33 3br9 n ASP 458 N -4.13 0.19 -0.36 -0.43 10.43 0.30 -4.32 116.55 118.23 3br9 n ASP 458 Ca 0.09 0.52 0.06 0.00 2.57 0.00 0.00 54.79 58.03 3br9 n ASP 458 Cb 0.63 -0.57 0.14 0.00 1.84 0.00 0.00 41.12 43.15 3br9 n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3br9 h LEU 459 N 0.00 -0.94 -0.93 0.64 3.38 -0.79 -1.36 115.31 115.31 3br9 h LEU 459 Ca 0.00 0.30 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 3br9 h LEU 459 Cb 0.53 0.62 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3br9 h LEU 459 CO 0.00 -0.33 -0.01 -0.65 0.09 0.00 0.00 178.44 177.54 3br9 h PRO 460 N -0.00 0.77 -0.21 1.13 0.11 -1.81 0.16 132.00 132.15 3br9 h PRO 460 Ca 0.48 -0.21 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 3br9 h PRO 460 Cb 0.73 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3br9 h PRO 460 CO -1.03 0.79 0.00 1.96 -0.21 0.00 0.00 178.00 179.51 3br9 h GLN 461 N 0.72 0.36 -0.79 1.05 7.50 -1.60 -1.19 115.11 121.16 3br9 h GLN 461 Ca 0.14 -0.11 0.09 0.00 0.50 0.00 0.00 58.65 59.26 3br9 h GLN 461 Cb 0.46 -0.03 -0.07 0.00 0.05 0.00 0.00 27.48 27.88 3br9 h GLN 461 CO 0.02 0.55 0.44 0.82 -1.50 0.00 0.00 178.83 179.17 3br9 h ILE 462 N 0.13 0.92 -0.08 2.54 2.04 -0.74 0.14 117.51 122.45 3br9 h ILE 462 Ca 0.06 -0.26 -0.21 0.00 1.00 0.00 0.00 64.86 65.45 3br9 h ILE 462 Cb 0.39 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3br9 h ILE 462 CO 0.01 0.14 -0.82 0.40 0.00 0.00 0.00 178.15 177.88 3br9 h ILE 463 N 0.76 1.34 -0.04 -0.67 2.04 -0.66 0.17 117.51 120.45 3br9 h ILE 463 Ca 0.37 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 3br9 h ILE 463 Cb 0.33 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3br9 h ILE 463 CO -0.24 0.66 0.01 -0.08 0.00 0.00 0.00 178.15 178.51 3br9 h GLU 464 N 0.35 0.06 0.03 2.37 4.81 -0.87 0.76 114.58 122.10 3br9 h GLU 464 Ca -0.06 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3br9 h GLU 464 Cb 1.43 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 3br9 h GLU 464 CO 0.15 0.22 -0.15 0.00 -0.73 0.00 0.00 179.01 178.50 3br9 h ARG 465 N -0.11 -0.25 -0.30 1.92 2.47 -0.54 0.56 114.38 118.13 3br9 h ARG 465 Ca 0.01 0.02 -0.17 0.00 -1.26 0.00 0.00 59.98 58.58 3br9 h ARG 465 Cb 0.18 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3br9 h ARG 465 CO -0.00 -0.17 -0.47 -0.07 0.56 0.00 0.00 179.97 179.82 3br9 h LEU 466 N -0.26 0.88 0.00 3.04 3.38 -0.97 -3.37 115.31 118.02 3br9 h LEU 466 Ca 0.04 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3br9 h LEU 466 Cb 0.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3br9 h LEU 466 CO -0.12 1.21 -0.65 1.41 0.09 0.00 0.00 178.44 180.38 3br9 n HIS 467 N -4.02 0.00 -0.03 1.13 8.25 0.25 -4.57 115.22 116.23 3br9 n HIS 467 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3br9 n HIS 467 Cb 0.58 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.66 3br9 n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3br9 n GLY 468 N 1.78 -1.94 0.18 -1.41 0.00 0.20 -4.52 105.19 99.48 3br9 n GLY 468 Ca -0.00 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.66 3br9 n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3br9 h LEU 469 N -0.03 0.00 -0.22 0.99 3.38 -1.86 -2.63 115.31 114.94 3br9 h LEU 469 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3br9 h LEU 469 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3br9 h LEU 469 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3br9 n SER 470 N -2.53 0.30 0.08 -0.43 3.41 -1.26 -2.24 113.62 110.96 3br9 n SER 470 Ca 0.02 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3br9 n SER 470 Cb 0.25 -0.63 0.43 0.00 -0.26 0.00 0.00 64.21 64.01 3br9 n SER 470 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3br9 n ALA 471 N -1.62 1.71 0.08 7.33 0.00 -0.99 -2.07 120.51 124.95 3br9 n ALA 471 Ca 0.04 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3br9 n ALA 471 Cb 0.24 -1.35 0.26 0.00 0.00 0.00 0.00 19.45 18.61 3br9 n ALA 471 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3br9 n PHE 472 N -1.98 0.67 -1.99 0.00 3.72 -0.95 -4.43 117.46 112.50 3br9 n PHE 472 Ca 0.03 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 3br9 n PHE 472 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3br9 n PHE 472 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3br9 n SER 473 N 1.56 0.00 -4.76 4.37 3.41 -0.88 -4.53 113.62 112.78 3br9 n SER 473 Ca 0.21 -1.48 -0.39 0.00 -0.26 0.00 0.00 58.87 56.95 3br9 n SER 473 Cb 0.61 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3br9 n SER 473 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3br9 s LEU 474 N 0.00 4.42 0.36 1.04 1.43 -0.95 -3.46 118.68 121.52 3br9 s LEU 474 Ca 0.00 2.25 -0.05 0.00 -1.03 0.00 0.00 54.13 55.30 3br9 s LEU 474 Cb 0.00 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.45 3br9 s LEU 474 CO 0.00 -0.29 0.54 -1.38 0.23 0.00 0.00 176.35 175.45 3br9 s HIS 475 N -1.29 0.89 -1.06 0.29 -3.43 0.45 -4.93 115.29 106.22 3br9 s HIS 475 Ca 0.49 -1.21 -0.17 0.00 -0.80 0.00 0.00 55.06 53.37 3br9 s HIS 475 Cb -0.30 0.10 -0.01 0.00 -1.43 0.00 0.00 32.58 30.94 3br9 s HIS 475 CO 0.39 -1.23 0.77 0.43 -2.00 0.00 0.00 174.74 173.09 3br9 n SER 476 N -1.44 -5.55 -4.77 7.38 7.64 -1.26 -0.94 113.62 114.67 3br9 n SER 476 Ca -0.01 -0.91 -0.30 0.00 1.01 0.00 0.00 58.87 58.66 3br9 n SER 476 Cb 0.61 -3.38 0.10 0.00 -1.01 0.00 0.00 64.21 60.54 3br9 n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3br9 s TYR 477 N -3.36 2.64 0.54 1.43 2.02 -1.26 -4.14 117.35 115.22 3br9 s TYR 477 Ca 0.37 1.26 -0.19 0.00 -0.37 0.00 0.00 57.07 58.15 3br9 s TYR 477 Cb -0.13 -3.10 -0.06 0.00 -0.40 0.00 0.00 41.96 38.26 3br9 s TYR 477 CO 0.85 -1.95 1.07 -1.54 -1.57 0.00 0.00 175.55 172.42 3br9 s SER 478 N -3.65 5.96 0.26 2.29 1.04 -1.17 -4.79 113.70 113.62 3br9 s SER 478 Ca 0.62 1.99 -0.02 0.00 0.48 0.00 0.00 55.95 59.01 3br9 s SER 478 Cb -0.16 -2.56 0.52 0.00 0.10 0.00 0.00 66.02 63.92 3br9 s SER 478 CO 0.55 -1.05 1.74 -0.65 0.98 0.00 0.00 173.24 174.81 3br9 h PRO 479 N 1.13 0.48 -0.43 4.02 0.11 -1.94 0.95 132.00 136.32 3br9 h PRO 479 Ca -0.49 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3br9 h PRO 479 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3br9 h PRO 479 CO 0.58 0.32 -0.13 0.78 -0.21 0.00 0.00 178.00 179.33 3br9 h GLY 480 N 0.49 0.86 0.68 -0.55 0.00 -1.98 0.14 103.07 102.71 3br9 h GLY 480 Ca 0.45 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3br9 h GLY 480 CO -0.41 0.62 -0.02 -2.09 0.00 0.00 0.00 176.54 174.64 3br9 h GLU 481 N 0.71 0.13 -0.61 4.80 4.57 -1.77 -0.19 114.58 122.22 3br9 h GLU 481 Ca 0.12 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3br9 h GLU 481 Cb 0.63 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 3br9 h GLU 481 CO 0.04 0.47 0.27 0.82 -1.18 0.00 0.00 179.01 179.44 3br9 h ILE 482 N -0.23 1.22 -0.74 2.32 2.04 -0.76 -1.19 117.51 120.18 3br9 h ILE 482 Ca 0.02 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3br9 h ILE 482 Cb 0.43 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3br9 h ILE 482 CO 0.01 0.26 0.34 0.78 0.00 0.00 0.00 178.15 179.53 3br9 h ASN 483 N 0.83 0.97 -0.69 1.72 2.35 -0.68 0.86 115.58 120.94 3br9 h ASN 483 Ca 0.21 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3br9 h ASN 483 Cb 0.15 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3br9 h ASN 483 CO -0.02 0.85 0.34 -0.09 -1.65 0.00 0.00 177.43 176.85 3br9 h ARG 484 N 1.04 1.01 0.15 0.81 2.43 -0.60 0.67 114.38 119.88 3br9 h ARG 484 Ca 0.25 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3br9 h ARG 484 Cb 0.14 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3br9 h ARG 484 CO -0.03 0.78 -0.07 0.28 -1.51 0.00 0.00 179.97 179.42 3br9 h VAL 485 N 1.01 1.00 -0.40 0.20 2.07 -0.63 -1.62 116.25 117.87 3br9 h VAL 485 Ca 0.25 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 67.06 3br9 h VAL 485 Cb 0.10 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 3br9 h VAL 485 CO -0.03 0.18 -0.12 0.00 0.02 0.00 0.00 177.57 177.62 3br9 h ALA 486 N 0.17 0.23 -0.92 1.67 0.00 -0.64 0.19 119.26 119.96 3br9 h ALA 486 Ca -0.02 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3br9 h ALA 486 Cb 0.45 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 3br9 h ALA 486 CO 0.03 -0.48 0.56 1.03 0.00 0.00 0.00 179.25 180.39 3br9 h SER 487 N -0.03 0.82 -0.31 0.00 0.87 -0.84 -1.78 113.55 112.28 3br9 h SER 487 Ca 0.20 0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 3br9 h SER 487 Cb 0.33 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3br9 h SER 487 CO -0.43 0.46 -0.43 0.00 -0.53 0.00 0.00 176.83 175.89 3br9 h LEU 489 N 0.70 0.23 -0.17 0.00 3.38 -0.33 -2.12 115.31 117.00 3br9 h LEU 489 Ca 0.05 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3br9 h LEU 489 Cb 1.02 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3br9 h LEU 489 CO 0.10 0.17 -0.07 0.03 0.09 0.00 0.00 178.44 178.77 3br9 h ARG 490 N 0.35 -0.04 -0.05 1.13 3.08 -1.24 0.92 114.38 118.53 3br9 h ARG 490 Ca 0.16 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.25 3br9 h ARG 490 Cb 0.10 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3br9 h ARG 490 CO -0.13 -0.03 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.08 3br9 h LYS 491 N -0.04 -0.54 0.00 0.04 3.64 -1.05 -2.66 116.57 115.96 3br9 h LYS 491 Ca 0.09 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3br9 h LYS 491 Cb 0.17 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3br9 h LYS 491 CO -0.20 -0.36 -0.14 -0.07 -2.27 0.00 0.00 179.45 176.42 3br9 h LEU 492 N -0.56 0.00 -1.20 5.20 3.38 -1.28 -3.45 115.31 117.40 3br9 h LEU 492 Ca 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3br9 h LEU 492 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 3br9 h LEU 492 CO -0.35 0.02 -0.06 0.61 0.09 0.00 0.00 178.44 178.75 3br9 n GLY 493 N 1.27 0.74 3.81 0.83 0.00 0.29 -0.28 105.19 111.85 3br9 n GLY 493 Ca 0.05 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 3br9 n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3br9 s VAL 494 N -3.03 4.95 0.28 1.61 1.01 0.61 -1.28 120.40 124.55 3br9 s VAL 494 Ca 0.04 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.73 3br9 s VAL 494 Cb -0.02 -3.79 -0.15 0.00 0.00 0.00 0.00 36.38 32.43 3br9 s VAL 494 CO 0.06 0.53 0.88 -2.65 0.00 0.00 0.00 175.10 173.92 3br9 n PRO 495 N 2.06 1.01 -1.02 2.72 -0.02 -1.26 -4.61 135.00 133.88 3br9 n PRO 495 Ca -0.12 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.38 3br9 n PRO 495 Cb 0.52 -1.64 0.10 0.00 -0.02 0.00 0.00 33.50 32.46 3br9 n PRO 495 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3br9 n PRO 496 N 0.76 0.01 0.21 0.52 -0.04 -1.26 -4.78 135.00 130.43 3br9 n PRO 496 Ca 0.12 0.06 0.15 0.00 -0.04 0.00 0.00 63.50 63.78 3br9 n PRO 496 Cb 0.31 -1.94 0.78 0.00 -0.04 0.00 0.00 33.50 32.61 3br9 n PRO 496 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3br9 h LEU 497 N -1.00 0.00 -0.91 1.53 3.38 -1.99 -0.10 115.31 116.22 3br9 h LEU 497 Ca -0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 3br9 h LEU 497 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3br9 h LEU 497 CO 0.39 0.00 -0.44 0.08 0.09 0.00 0.00 178.44 178.57 3br9 h ARG 498 N 0.00 0.24 -0.44 1.13 0.11 -2.00 -0.29 114.38 113.13 3br9 h ARG 498 Ca 0.07 -0.12 -0.12 0.00 0.10 0.00 0.00 59.98 59.91 3br9 h ARG 498 Cb 0.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 3br9 h ARG 498 CO -0.00 0.63 -0.20 0.28 0.10 0.00 0.00 179.97 180.78 3br9 h VAL 499 N 0.20 1.27 -0.78 0.08 2.07 -1.34 -2.44 116.25 115.31 3br9 h VAL 499 Ca 0.02 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 3br9 h VAL 499 Cb 0.85 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3br9 h VAL 499 CO 0.07 0.46 0.31 -0.50 0.02 0.00 0.00 177.57 177.93 3br9 h TRP 500 N 0.74 1.18 -0.47 1.57 4.06 -1.30 0.50 115.95 122.24 3br9 h TRP 500 Ca 0.10 -0.09 0.03 0.00 2.06 0.00 0.00 58.89 60.99 3br9 h TRP 500 Cb 0.77 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 3br9 h TRP 500 CO 0.06 0.89 0.26 -0.09 -3.56 0.00 0.00 178.44 176.00 3br9 h ARG 501 N 1.13 0.51 0.58 0.49 2.43 -0.91 0.30 114.38 118.91 3br9 h ARG 501 Ca 0.26 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3br9 h ARG 501 Cb 0.21 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3br9 h ARG 501 CO -0.02 0.34 -0.29 1.25 -1.51 0.00 0.00 179.97 179.74 3br9 h HIS 502 N 0.53 -0.76 -0.78 2.20 2.76 -0.88 -1.27 115.15 116.95 3br9 h HIS 502 Ca 0.19 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.51 3br9 h HIS 502 Cb 0.05 0.25 -0.11 0.00 1.55 0.00 0.00 27.41 29.16 3br9 h HIS 502 CO -0.08 -0.47 0.27 0.00 -1.30 0.00 0.00 177.93 176.36 3br9 h ARG 503 N -0.80 0.36 -0.48 5.26 3.08 -0.79 -1.89 114.38 119.12 3br9 h ARG 503 Ca -0.08 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3br9 h ARG 503 Cb 0.62 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3br9 h ARG 503 CO 0.12 0.24 0.04 0.00 -1.07 0.00 0.00 179.97 179.29 3br9 h ALA 504 N 1.61 1.16 -0.87 0.04 0.00 0.07 0.55 119.26 121.82 3br9 h ALA 504 Ca 0.45 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3br9 h ALA 504 Cb 0.75 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3br9 h ALA 504 CO -0.47 0.55 0.57 0.00 0.00 0.00 0.00 179.25 179.90 3br9 h ARG 505 N 0.73 1.15 -0.05 0.00 3.08 -0.45 1.12 114.38 119.97 3br9 h ARG 505 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3br9 h ARG 505 Cb 0.39 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3br9 h ARG 505 CO 0.01 0.77 0.00 1.03 -1.07 0.00 0.00 179.97 180.71 3br9 h SER 506 N 1.18 0.08 -0.28 7.04 0.87 -0.65 -1.24 113.55 120.56 3br9 h SER 506 Ca 0.32 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3br9 h SER 506 Cb -0.13 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3br9 h SER 506 CO -0.07 0.34 0.13 0.58 -0.53 0.00 0.00 176.83 177.29 3br9 h VAL 507 N -0.19 0.99 -0.06 2.23 2.07 0.51 -0.26 116.25 121.54 3br9 h VAL 507 Ca 0.01 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3br9 h VAL 507 Cb 0.30 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3br9 h VAL 507 CO 0.00 0.05 -0.31 -0.09 0.02 0.00 0.00 177.57 177.24 3br9 h ARG 508 N 0.28 -0.41 -0.69 1.57 2.43 0.13 -1.09 114.38 116.60 3br9 h ARG 508 Ca 0.11 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3br9 h ARG 508 Cb 0.04 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3br9 h ARG 508 CO -0.08 -0.27 0.41 0.00 -1.51 0.00 0.00 179.97 178.52 3br9 h ALA 509 N 0.36 1.42 -0.57 2.80 0.00 -0.86 -0.23 119.26 122.17 3br9 h ALA 509 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3br9 h ALA 509 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3br9 h ALA 509 CO -0.30 0.50 0.05 0.00 0.00 0.00 0.00 179.25 179.50 3br9 h ARG 510 N 0.95 0.95 -0.04 0.00 3.08 -0.78 -2.19 114.38 116.34 3br9 h ARG 510 Ca 0.25 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3br9 h ARG 510 Cb -0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3br9 h ARG 510 CO -0.05 0.91 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.66 3br9 h LEU 511 N 0.89 0.11 -0.78 3.04 3.38 0.23 -2.86 115.31 119.30 3br9 h LEU 511 Ca 0.17 -0.47 0.16 0.00 0.09 0.00 0.00 57.88 57.84 3br9 h LEU 511 Cb 0.45 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.03 3br9 h LEU 511 CO 0.02 0.55 -0.15 -0.07 0.09 0.00 0.00 178.44 178.88 3br9 h LEU 512 N -0.34 -0.65 -0.95 1.67 3.38 -1.23 -1.53 115.31 115.66 3br9 h LEU 512 Ca 0.01 0.23 0.20 0.00 0.09 0.00 0.00 57.88 58.41 3br9 h LEU 512 Cb 0.52 0.46 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 3br9 h LEU 512 CO 0.01 -0.25 0.53 0.28 0.09 0.00 0.00 178.44 179.10 3br9 h SER 513 N 0.02 0.62 0.58 -0.43 0.02 -1.17 0.12 113.55 113.31 3br9 h SER 513 Ca 0.39 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3br9 h SER 513 Cb 0.63 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3br9 h SER 513 CO -0.79 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.08 3br9 n GLN 514 N -4.87 0.10 -0.35 3.45 1.13 -0.61 -5.00 117.38 111.22 3br9 n GLN 514 Ca 0.22 0.35 0.05 0.00 -1.94 0.00 0.00 57.00 55.68 3br9 n GLN 514 Cb 0.59 -1.69 -0.01 0.00 0.11 0.00 0.00 30.24 29.24 3br9 n GLN 514 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3br9 n GLY 515 N -0.08 -0.72 7.00 1.08 0.00 0.40 -4.79 105.19 108.09 3br9 n GLY 515 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3br9 n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3br9 n GLY 516 N -1.14 2.27 0.19 -0.02 0.00 -1.26 -2.62 105.19 102.61 3br9 n GLY 516 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 3br9 n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3br9 h ARG 517 N 0.00 0.60 -0.89 1.61 3.08 -1.92 -2.50 114.38 114.35 3br9 h ARG 517 Ca 0.00 -0.19 0.09 0.00 0.07 0.00 0.00 59.98 59.95 3br9 h ARG 517 Cb 0.00 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 3br9 h ARG 517 CO 0.00 0.72 0.58 0.00 -1.07 0.00 0.00 179.97 180.20 3br9 h ALA 518 N 0.86 1.62 -0.20 0.04 0.00 -1.84 0.14 119.26 119.87 3br9 h ALA 518 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3br9 h ALA 518 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3br9 h ALA 518 CO 0.02 0.21 -0.18 0.00 0.00 0.00 0.00 179.25 179.30 3br9 h ALA 519 N 1.55 1.32 -0.27 0.00 0.00 -1.16 0.93 119.26 121.62 3br9 h ALA 519 Ca 0.41 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3br9 h ALA 519 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3br9 h ALA 519 CO -0.17 0.46 -0.28 1.15 0.00 0.00 0.00 179.25 180.40 3br9 h THR 520 N 0.32 1.31 -0.84 0.00 2.02 -0.42 0.45 112.91 115.76 3br9 h THR 520 Ca 0.06 -1.45 0.09 0.00 0.77 0.00 0.00 66.41 65.88 3br9 h THR 520 Cb 0.50 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 3br9 h THR 520 CO 0.03 0.46 0.49 0.00 0.37 0.00 0.00 175.52 176.87 3br9 h GLY 522 N 0.84 -0.20 0.62 0.00 0.00 -0.65 -2.13 103.07 101.56 3br9 h GLY 522 Ca 0.39 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 3br9 h GLY 522 CO -0.23 -0.12 -0.49 1.70 0.00 0.00 0.00 176.54 177.40 3br9 h LYS 523 N -0.23 -1.04 0.07 4.80 3.64 0.52 -2.80 116.57 121.54 3br9 h LYS 523 Ca 0.02 0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3br9 h LYS 523 Cb 0.25 0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3br9 h LYS 523 CO -0.07 -0.69 -0.57 1.88 -2.27 0.00 0.00 179.45 177.73 3br9 h TYR 524 N -1.08 0.28 0.00 1.91 0.05 -1.01 -2.94 116.97 114.18 3br9 h TYR 524 Ca -0.08 -0.20 -0.06 0.00 0.05 0.00 0.00 58.73 58.44 3br9 h TYR 524 Cb 0.90 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 3br9 h TYR 524 CO -0.18 1.22 -0.29 -0.07 -1.05 0.00 0.00 178.16 177.79 3br9 h LEU 525 N -0.66 0.00 -2.54 3.88 3.38 -1.50 -3.20 115.31 114.67 3br9 h LEU 525 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3br9 h LEU 525 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3br9 h LEU 525 CO 0.06 0.29 -0.05 0.49 0.09 0.00 0.00 178.44 179.32 3br9 n PHE 526 N -3.97 0.00 0.09 1.13 3.72 -1.06 -4.64 117.46 112.74 3br9 n PHE 526 Ca -0.02 -0.48 0.19 0.00 -0.05 0.00 0.00 57.45 57.09 3br9 n PHE 526 Cb 0.36 -0.07 0.75 0.00 -0.94 0.00 0.00 39.48 39.58 3br9 n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3br9 h ASN 527 N 0.00 0.00 0.58 4.37 -1.24 -1.51 0.16 115.58 117.94 3br9 h ASN 527 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 3br9 h ASN 527 Cb 0.80 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 3br9 h ASN 527 CO 0.00 0.00 -0.28 4.11 -1.29 0.00 0.00 177.43 179.97 3br9 h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.82 -3.27 115.95 116.61 3br9 h TRP 528 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.15 3br9 h TRP 528 Cb 0.87 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.03 3br9 h TRP 528 CO 0.00 0.28 0.00 0.00 -1.28 0.00 0.00 178.44 177.44 3br9 h ALA 529 N 1.72 1.00 -3.29 0.11 0.00 -1.03 -3.45 119.26 114.32 3br9 h ALA 529 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3br9 h ALA 529 Cb 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.31 3br9 h ALA 529 CO 0.04 0.00 -0.62 0.14 0.00 0.00 0.00 179.25 178.81 3br9 s VAL 530 N -3.38 4.33 0.05 0.00 -7.23 -1.23 -4.71 120.40 108.23 3br9 s VAL 530 Ca 0.05 -0.44 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 3br9 s VAL 530 Cb 0.09 -2.90 -0.14 0.00 0.56 0.00 0.00 36.38 33.98 3br9 s VAL 530 CO 0.52 0.45 1.41 0.11 -0.31 0.00 0.00 175.10 177.29 3br9 h LYS 531 N 4.57 -0.86 -5.33 4.82 1.57 -1.90 -3.39 116.57 116.05 3br9 h LYS 531 Ca -0.50 0.06 -0.62 0.00 -1.87 0.00 0.00 60.65 57.73 3br9 h LYS 531 Cb 1.18 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 33.56 3br9 h LYS 531 CO 0.57 -0.57 -0.12 -0.08 -0.57 0.00 0.00 179.45 178.68 3br9 s THR 532 N -5.15 5.13 -0.10 -0.16 -1.32 -1.26 -5.06 115.64 107.72 3br9 s THR 532 Ca -0.14 0.77 -0.03 0.00 -1.21 0.00 0.00 61.69 61.08 3br9 s THR 532 Cb 0.02 -3.77 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 3br9 s THR 532 CO 0.44 0.15 0.01 -0.54 -2.21 0.00 0.00 174.62 172.46 3br9 s LYS 533 N 1.99 3.13 1.20 7.08 1.02 -1.26 -5.10 119.74 127.79 3br9 s LYS 533 Ca 0.19 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.61 3br9 s LYS 533 Cb -0.15 -2.85 0.24 0.00 -0.52 0.00 0.00 37.83 34.54 3br9 s LYS 533 CO 0.09 0.63 0.57 1.28 -0.92 0.00 0.00 175.35 177.01 3br9 n LEU 534 N 2.36 -1.87 -4.50 3.17 4.32 -1.26 -5.01 117.00 114.21 3br9 n LEU 534 Ca -0.18 -0.28 -0.34 0.00 -0.02 0.00 0.00 56.01 55.18 3br9 n LEU 534 Cb 0.53 -1.07 -0.12 0.00 -1.62 0.00 0.00 43.42 41.14 3br9 n LEU 534 CO 0.29 -3.42 -0.34 -0.75 -1.22 0.00 0.00 177.39 171.95 3br9 s LYS 535 N -4.05 3.69 -0.31 3.23 2.47 -1.26 -5.07 119.74 118.43 3br9 s LYS 535 Ca 0.62 -0.51 -0.11 0.00 -1.56 0.00 0.00 55.97 54.41 3br9 s LYS 535 Cb -0.18 -2.96 -0.02 0.00 -1.46 0.00 0.00 37.83 33.21 3br9 s LYS 535 CO 0.63 0.21 0.20 -0.51 0.16 0.00 0.00 175.35 176.04 3br9 s LEU 536 N 0.45 4.25 0.02 5.43 1.43 -1.26 -5.05 118.68 123.96 3br9 s LEU 536 Ca -0.03 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3br9 s LEU 536 Cb -0.14 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3br9 s LEU 536 CO 0.03 -0.17 -0.19 0.42 0.23 0.00 0.00 176.35 176.66 3br9 s THR 537 N 1.70 1.54 0.12 5.49 -4.23 -1.26 -5.08 115.64 113.91 3br9 s THR 537 Ca 0.06 -1.05 -0.25 0.00 -1.18 0.00 0.00 61.69 59.27 3br9 s THR 537 Cb -0.17 -1.32 -0.14 0.00 1.34 0.00 0.00 72.50 72.20 3br9 s THR 537 CO 0.09 0.25 0.53 -2.65 -0.54 0.00 0.00 174.62 172.30 3br9 n PRO 538 N 2.10 0.00 -2.91 3.99 -0.02 -1.26 -4.89 135.00 132.01 3br9 n PRO 538 Ca -0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 3br9 n PRO 538 Cb 0.54 -0.91 -0.04 0.00 -0.02 0.00 0.00 33.50 33.07 3br9 n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3br9 s ILE 539 N -0.59 4.93 0.32 4.25 1.01 -1.26 -4.96 121.20 124.90 3br9 s ILE 539 Ca 0.57 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.88 3br9 s ILE 539 Cb -0.82 -4.14 0.18 0.00 0.01 0.00 0.00 42.46 37.69 3br9 s ILE 539 CO 0.45 0.11 1.88 -0.65 0.00 0.00 0.00 174.94 176.73 3br9 h PRO 540 N 7.09 0.71 0.00 2.79 0.11 -2.03 -2.78 132.00 137.89 3br9 h PRO 540 Ca -0.34 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3br9 h PRO 540 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3br9 h PRO 540 CO 0.80 0.63 -0.10 0.00 -0.21 0.00 0.00 178.00 179.12 3br9 h ALA 541 N 1.46 1.46 -0.27 -0.75 0.00 -1.96 -2.97 119.26 116.23 3br9 h ALA 541 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3br9 h ALA 541 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3br9 h ALA 541 CO -0.01 0.13 0.17 0.00 0.00 0.00 0.00 179.25 179.55 3br9 h ALA 542 N 1.90 0.35 0.00 0.00 0.00 -1.80 -2.23 119.26 117.48 3br9 h ALA 542 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3br9 h ALA 542 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3br9 h ALA 542 CO 0.01 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.97 3br9 n SER 543 N -4.88 0.00 -2.77 0.00 3.41 -1.12 -3.12 113.62 105.14 3br9 n SER 543 Ca -0.02 -0.39 -0.24 0.00 -0.26 0.00 0.00 58.87 57.95 3br9 n SER 543 Cb 0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3br9 n SER 543 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3br9 n GLN 544 N -0.94 2.86 -4.57 4.33 7.27 -0.84 -5.07 117.38 120.42 3br9 n GLN 544 Ca 0.07 -4.41 -0.22 0.00 0.07 0.00 0.00 57.00 52.51 3br9 n GLN 544 Cb 0.03 -2.09 -0.16 0.00 2.41 0.00 0.00 30.24 30.44 3br9 n GLN 544 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3br9 s LEU 545 N -3.35 1.88 -1.50 1.69 1.43 -1.18 -5.03 118.68 112.61 3br9 s LEU 545 Ca 0.45 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.21 3br9 s LEU 545 Cb 0.35 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.87 3br9 s LEU 545 CO -0.13 0.11 2.59 -0.67 0.23 0.00 0.00 176.35 178.48 3br9 n ASP 546 N 3.12 7.11 -0.67 2.29 2.03 -1.26 -4.52 116.55 124.65 3br9 n ASP 546 Ca -0.17 -2.78 0.09 0.00 0.52 0.00 0.00 54.79 52.45 3br9 n ASP 546 Cb 0.54 -1.54 0.29 0.00 -0.72 0.00 0.00 41.12 39.69 3br9 n ASP 546 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3br9 n LEU 547 N 3.91 1.99 -4.77 -2.67 4.32 -1.26 -4.82 117.00 113.70 3br9 n LEU 547 Ca 0.66 -0.90 -0.40 0.00 -0.02 0.00 0.00 56.01 55.35 3br9 n LEU 547 Cb 0.28 -0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 3br9 n LEU 547 CO 0.84 0.45 0.96 -0.94 -1.22 0.00 0.00 177.39 177.47 3br9 s SER 548 N -1.36 6.76 0.00 -1.43 1.04 -1.26 -2.97 113.70 114.47 3br9 s SER 548 Ca 0.31 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.38 3br9 s SER 548 Cb 0.17 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.64 3br9 s SER 548 CO 0.24 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.53 3br9 n GLY 549 N 0.81 0.94 0.10 7.32 0.00 -1.26 -4.94 105.19 108.15 3br9 n GLY 549 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3br9 n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3br9 h TRP 550 N 0.00 0.25 -2.21 1.61 4.06 -1.88 -3.38 115.95 114.39 3br9 h TRP 550 Ca 0.00 -0.13 -0.60 0.00 2.06 0.00 0.00 58.89 60.22 3br9 h TRP 550 Cb 0.00 -0.03 -0.42 0.00 -1.00 0.00 0.00 29.16 27.71 3br9 h TRP 550 CO 0.00 0.91 -0.61 1.19 -3.56 0.00 0.00 178.44 176.37 3br9 n PHE 551 N -4.52 3.71 -0.03 0.49 3.72 -1.26 -4.66 117.46 114.91 3br9 n PHE 551 Ca -0.09 -4.11 -0.08 0.00 -0.05 0.00 0.00 57.45 53.12 3br9 n PHE 551 Cb 0.49 -0.54 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 3br9 n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3br9 n VAL 552 N 0.54 1.02 -3.91 -4.37 0.31 -1.17 -4.20 118.33 106.55 3br9 n VAL 552 Ca 0.30 0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.63 3br9 n VAL 552 Cb 0.41 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 3br9 n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3br9 s ALA 553 N -2.30 -0.13 0.10 3.52 0.00 -1.24 -3.66 121.76 118.05 3br9 s ALA 553 Ca -0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3br9 s ALA 553 Cb 0.04 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 3br9 s ALA 553 CO 0.19 -0.61 0.33 0.20 0.00 0.00 0.00 175.76 175.87 3br9 s GLY 554 N -2.93 2.24 0.00 0.00 0.00 -1.26 -4.89 107.32 100.48 3br9 s GLY 554 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3br9 s GLY 554 CO -0.04 -0.50 0.82 -1.72 0.00 0.00 0.00 173.10 171.66 3br9 n TYR 555 N 0.35 0.00 -1.83 1.90 4.01 -0.24 -4.51 117.16 116.84 3br9 n TYR 555 Ca -0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.28 3br9 n TYR 555 Cb 0.52 0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 3br9 n TYR 555 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3br9 s SER 556 N -0.67 6.43 0.00 7.72 1.04 -1.25 -0.01 113.70 126.95 3br9 s SER 556 Ca 0.00 2.91 0.00 0.00 0.48 0.00 0.00 55.95 59.34 3br9 s SER 556 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3br9 s SER 556 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3br9 n GLY 557 N 1.97 2.51 0.56 7.32 0.00 -1.26 -4.17 105.19 112.11 3br9 n GLY 557 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 3br9 n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3br9 n GLY 558 N -1.99 0.38 3.57 -0.02 0.00 0.98 -2.96 105.19 105.15 3br9 n GLY 558 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 3br9 n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3br9 n ASP 559 N 0.36 -2.82 -4.42 1.61 2.03 -1.26 -4.54 116.55 107.51 3br9 n ASP 559 Ca 0.13 -0.67 -0.34 0.00 0.52 0.00 0.00 54.79 54.42 3br9 n ASP 559 Cb 0.28 -4.73 -0.13 0.00 -0.72 0.00 0.00 41.12 35.82 3br9 n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3br9 s ILE 560 N -3.43 3.70 -0.14 5.18 -1.09 -1.26 -4.19 121.20 119.98 3br9 s ILE 560 Ca 0.16 -0.40 -0.00 0.00 -2.23 0.00 0.00 60.65 58.18 3br9 s ILE 560 Cb -0.07 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 3br9 s ILE 560 CO 0.76 0.45 -0.13 -0.47 -1.23 0.00 0.00 174.94 174.32 3br9 s TYR 561 N 0.90 2.80 -1.85 3.97 5.04 0.16 -0.17 117.35 128.21 3br9 s TYR 561 Ca -0.00 -0.77 0.15 0.00 -2.44 0.00 0.00 57.07 54.01 3br9 s TYR 561 Cb -0.15 -1.86 0.12 0.00 0.35 0.00 0.00 41.96 40.42 3br9 s TYR 561 CO 0.01 -0.30 0.97 0.72 -1.34 0.00 0.00 175.55 175.61