#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br3 h TYR 4 N 0.00 0.00 0.00 -0.67 -0.00 -2.07 -3.30 116.97 110.93 2br3 h TYR 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2br3 h TYR 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2br3 h TYR 4 CO 0.00 0.44 0.00 -1.13 -0.00 0.00 0.00 178.16 177.47 2br3 n SER 5 N -3.35 0.00 -0.10 0.10 3.41 -1.26 -3.81 113.62 108.61 2br3 n SER 5 Ca 0.01 0.33 -0.21 0.00 -0.26 0.00 0.00 58.87 58.75 2br3 n SER 5 Cb 0.63 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 2br3 n SER 5 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2br3 n ARG 6 N -1.42 0.45 -1.97 4.33 5.12 -1.24 -5.05 116.66 116.88 2br3 n ARG 6 Ca 0.05 0.20 -0.36 0.00 -1.93 0.00 0.00 57.85 55.80 2br3 n ARG 6 Cb 0.17 -1.27 0.04 0.00 -1.16 0.00 0.00 32.46 30.24 2br3 n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2br3 s GLN 7 N -2.45 3.00 -0.14 5.56 -0.21 -1.25 -5.02 119.66 119.15 2br3 s GLN 7 Ca -0.29 1.91 -0.18 0.00 0.02 0.00 0.00 55.36 56.82 2br3 s GLN 7 Cb 0.10 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 32.07 2br3 s GLN 7 CO 0.37 -1.21 0.46 1.21 -2.12 0.00 0.00 175.29 174.01 2br3 s ASN 8 N -1.46 6.63 -0.20 5.90 2.47 -1.26 -5.06 114.94 121.95 2br3 s ASN 8 Ca 0.76 0.74 -0.14 0.00 0.42 0.00 0.00 52.86 54.65 2br3 s ASN 8 Cb -0.33 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 2br3 s ASN 8 CO 0.36 -0.02 0.32 -0.36 -3.72 0.00 0.00 177.10 173.68 2br3 s PHE 9 N 0.81 3.38 0.46 0.43 2.99 -1.26 -5.07 117.98 119.73 2br3 s PHE 9 Ca 0.24 0.53 -0.22 0.00 0.00 0.00 0.00 56.93 57.49 2br3 s PHE 9 Cb -0.15 -2.43 -0.08 0.00 0.00 0.00 0.00 43.02 40.36 2br3 s PHE 9 CO 0.09 0.07 1.08 -0.51 -0.00 0.00 0.00 175.22 175.95 2br3 s LEU 10 N 1.05 3.97 -0.09 -0.37 1.43 -1.26 -5.00 118.68 118.41 2br3 s LEU 10 Ca 0.16 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 2br3 s LEU 10 Cb -0.14 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 2br3 s LEU 10 CO 0.06 -0.76 1.30 -0.62 0.23 0.00 0.00 176.35 176.56 2br3 s ASP 11 N -1.70 6.94 0.40 2.29 -1.08 -1.26 -4.90 116.67 117.36 2br3 s ASP 11 Ca 0.64 1.85 0.28 0.00 -0.52 0.00 0.00 52.55 54.80 2br3 s ASP 11 Cb -0.21 -2.55 1.10 0.00 -1.46 0.00 0.00 42.92 39.80 2br3 s ASP 11 CO 0.26 -0.71 1.83 -0.07 0.52 0.00 0.00 175.17 177.00 2br3 h LEU 12 N 9.04 0.00 -2.75 -1.34 4.07 -2.02 -2.75 115.31 119.56 2br3 h LEU 12 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2br3 h LEU 12 Cb 1.14 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.88 2br3 h LEU 12 CO 0.93 0.00 0.06 0.78 -1.08 0.00 0.00 178.44 179.13 2br3 h ASN 13 N 0.00 0.00 -0.79 -0.43 2.35 -2.01 -1.80 115.58 112.91 2br3 h ASN 13 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 2br3 h ASN 13 Cb 0.50 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 2br3 h ASN 13 CO 0.00 0.00 0.51 0.25 -1.65 0.00 0.00 177.43 176.54 2br3 h LEU 14 N 0.00 0.58 -3.32 1.61 5.85 -1.90 -2.64 115.31 115.50 2br3 h LEU 14 Ca 0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2br3 h LEU 14 Cb 0.12 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2br3 h LEU 14 CO -0.00 0.33 0.07 0.49 -0.34 0.00 0.00 178.44 178.99 2br3 n PHE 15 N -4.51 1.95 -2.16 1.25 3.01 -0.67 -4.96 117.46 111.37 2br3 n PHE 15 Ca 0.14 -0.76 -0.42 0.00 1.01 0.00 0.00 57.45 57.41 2br3 n PHE 15 Cb 0.39 -0.51 -0.03 0.00 -0.01 0.00 0.00 39.48 39.32 2br3 n PHE 15 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2br3 s ARG 16 N -2.60 4.29 0.00 -1.08 1.81 -1.00 -2.27 118.95 118.10 2br3 s ARG 16 Ca 0.48 2.07 0.00 0.00 -1.72 0.00 0.00 55.73 56.56 2br3 s ARG 16 Cb 0.37 -3.43 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 2br3 s ARG 16 CO 0.14 -0.54 0.00 0.41 -0.68 0.00 0.00 175.30 174.63 2br3 n GLY 17 N 3.63 0.16 0.75 -3.53 0.00 -1.26 -4.77 105.19 100.16 2br3 n GLY 17 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2br3 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br3 n LEU 18 N 0.00 0.90 0.00 0.99 4.77 -0.96 -5.12 117.00 117.58 2br3 n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2br3 n LEU 18 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2br3 n LEU 18 CO 0.00 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2br3 n GLY 19 N 2.91 1.17 0.18 -0.72 0.00 -0.99 -4.81 105.19 102.94 2br3 n GLY 19 Ca 0.00 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 44.07 2br3 n GLY 19 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2br3 h GLU 20 N 0.00 0.00 -2.77 1.61 5.08 -2.00 -3.43 114.58 113.07 2br3 h GLU 20 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2br3 h GLU 20 Cb 0.00 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 28.94 2br3 h GLU 20 CO 0.00 0.00 -0.50 0.34 -1.00 0.00 0.00 179.01 177.85 2br3 s ASP 21 N -5.64 0.24 0.51 1.42 -1.08 -1.26 -5.03 116.67 105.82 2br3 s ASP 21 Ca 0.07 0.66 0.27 0.00 -0.52 0.00 0.00 52.55 53.03 2br3 s ASP 21 Cb 0.08 0.84 1.36 0.00 -1.46 0.00 0.00 42.92 43.74 2br3 s ASP 21 CO 0.66 -0.24 2.03 1.55 0.52 0.00 0.00 175.17 179.69 2br3 h PRO 22 N 8.26 0.00 -6.94 4.34 0.13 -1.90 -3.43 132.00 132.47 2br3 h PRO 22 Ca -0.15 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.48 2br3 h PRO 22 Cb 1.11 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.29 2br3 h PRO 22 CO 0.13 0.14 0.50 0.00 -0.23 0.00 0.00 178.00 178.54 2br3 s ALA 23 N -4.09 3.17 0.11 -0.56 0.00 -1.26 -4.50 121.76 114.61 2br3 s ALA 23 Ca -0.02 0.95 -0.25 0.00 0.00 0.00 0.00 51.96 52.64 2br3 s ALA 23 Cb 0.13 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 2br3 s ALA 23 CO 0.59 -0.48 0.75 -0.47 0.00 0.00 0.00 175.76 176.15 2br3 s TYR 24 N -1.42 3.83 -0.02 0.00 5.04 -1.26 -4.91 117.35 118.61 2br3 s TYR 24 Ca 0.56 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.73 2br3 s TYR 24 Cb -0.30 -2.77 0.03 0.00 0.35 0.00 0.00 41.96 39.27 2br3 s TYR 24 CO 0.38 0.42 0.01 -1.01 -1.34 0.00 0.00 175.55 174.01 2br3 s HIS 25 N -0.68 0.20 0.67 4.97 3.76 -1.26 -5.01 115.29 117.95 2br3 s HIS 25 Ca 0.36 0.04 -0.17 0.00 -0.15 0.00 0.00 55.06 55.15 2br3 s HIS 25 Cb -0.22 -0.33 0.01 0.00 1.11 0.00 0.00 32.58 33.15 2br3 s HIS 25 CO 0.24 -0.11 1.23 -1.25 -0.85 0.00 0.00 174.74 174.01 2br3 s PRO 26 N 0.97 2.46 0.68 8.40 0.04 -1.26 -4.95 135.00 141.35 2br3 s PRO 26 Ca -0.09 1.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2br3 s PRO 26 Cb -0.13 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2br3 s PRO 26 CO -0.02 -1.61 1.23 -2.14 0.04 0.00 0.00 177.00 174.50 2br3 s PRO 27 N -3.62 2.39 -0.05 0.56 0.02 -1.26 -5.05 135.00 128.00 2br3 s PRO 27 Ca 0.77 1.86 0.04 0.00 0.02 0.00 0.00 61.00 63.69 2br3 s PRO 27 Cb -0.32 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2br3 s PRO 27 CO 0.41 -1.67 -0.16 0.08 -0.33 0.00 0.00 177.00 175.33 2br3 s VAL 28 N -1.75 1.35 0.22 3.83 1.01 -1.26 -5.12 120.40 118.68 2br3 s VAL 28 Ca 0.77 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2br3 s VAL 28 Cb -0.32 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 2br3 s VAL 28 CO 0.42 0.39 1.19 -0.76 0.00 0.00 0.00 175.10 176.33 2br3 s LEU 29 N 0.16 4.47 -0.21 3.92 2.01 -1.26 -4.88 118.68 122.89 2br3 s LEU 29 Ca -0.06 2.29 -0.04 0.00 0.01 0.00 0.00 54.13 56.33 2br3 s LEU 29 Cb -0.12 -3.62 -0.11 0.00 0.01 0.00 0.00 46.19 42.35 2br3 s LEU 29 CO 0.03 -0.33 -0.22 0.35 1.01 0.00 0.00 176.35 177.18 2br3 n THR 30 N 1.99 1.16 -0.79 5.49 -2.24 -1.26 -4.80 114.28 113.84 2br3 n THR 30 Ca 0.02 -0.38 0.08 0.00 -2.27 0.00 0.00 64.05 61.50 2br3 n THR 30 Cb 0.44 -1.47 0.22 0.00 -2.10 0.00 0.00 70.33 67.43 2br3 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br3 n ASP 31 N -3.47 3.55 -3.55 3.42 5.75 -1.26 -4.99 116.55 116.00 2br3 n ASP 31 Ca -0.39 -2.76 -0.12 0.00 -0.01 0.00 0.00 54.79 51.52 2br3 n ASP 31 Cb 0.84 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 40.44 2br3 n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2br3 s ARG 32 N -2.36 1.14 0.45 0.11 3.00 -1.26 -5.13 118.95 114.89 2br3 s ARG 32 Ca 0.36 -0.54 -0.23 0.00 0.00 0.00 0.00 55.73 55.33 2br3 s ARG 32 Cb 0.28 0.51 -0.08 0.00 0.00 0.00 0.00 34.95 35.67 2br3 s ARG 32 CO 0.10 -0.46 1.16 -1.25 0.00 0.00 0.00 175.30 174.85 2br3 s PRO 33 N -3.53 3.82 0.18 3.54 0.04 -1.26 -4.87 135.00 132.92 2br3 s PRO 33 Ca 0.01 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 2br3 s PRO 33 Cb 0.00 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 32.15 2br3 s PRO 33 CO -0.10 -0.50 1.63 -0.09 0.04 0.00 0.00 177.00 177.98 2br3 h ARG 34 N 2.15 1.05 -5.06 4.56 2.43 -2.01 -3.40 114.38 114.10 2br3 h ARG 34 Ca -0.49 -0.35 -0.68 0.00 -0.81 0.00 0.00 59.98 57.65 2br3 h ARG 34 Cb 1.24 -0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 30.53 2br3 h ARG 34 CO 0.61 1.04 -0.08 -0.51 -1.51 0.00 0.00 179.97 179.51 2br3 s ASP 35 N -6.56 6.24 -0.18 -3.80 1.01 -1.26 -5.05 116.67 107.07 2br3 s ASP 35 Ca -0.12 -0.56 -0.16 0.00 0.71 0.00 0.00 52.55 52.43 2br3 s ASP 35 Cb 0.13 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 2br3 s ASP 35 CO 0.86 -0.66 0.40 0.86 0.21 0.00 0.00 175.17 176.84 2br3 s TRP 36 N 2.39 3.41 0.15 4.23 -0.11 -1.26 -5.05 118.94 122.70 2br3 s TRP 36 Ca 0.16 0.66 -0.31 0.00 1.22 0.00 0.00 56.10 57.83 2br3 s TRP 36 Cb -0.16 -2.51 -0.10 0.00 -1.50 0.00 0.00 33.47 29.21 2br3 s TRP 36 CO 0.16 0.05 1.55 -1.25 -4.62 0.00 0.00 176.95 172.84 2br3 s PRO 37 N 1.08 4.23 0.49 5.86 0.04 -1.26 -4.90 135.00 140.54 2br3 s PRO 37 Ca 0.20 2.32 0.33 0.00 0.04 0.00 0.00 61.00 63.88 2br3 s PRO 37 Cb -0.15 -3.22 1.46 0.00 0.04 0.00 0.00 34.50 32.64 2br3 s PRO 37 CO 0.08 -0.60 1.97 -0.07 0.04 0.00 0.00 177.00 178.42 2br3 h LEU 38 N 6.99 0.00 -0.32 -3.56 4.07 -1.98 -2.46 115.31 118.06 2br3 h LEU 38 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2br3 h LEU 38 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2br3 h LEU 38 CO 0.91 0.00 0.00 -2.24 -1.08 0.00 0.00 178.44 176.03 2br3 h ASP 39 N 0.00 0.00 -0.81 -0.43 2.03 -2.05 -2.95 116.42 112.20 2br3 h ASP 39 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 2br3 h ASP 39 Cb 0.35 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 38.43 2br3 h ASP 39 CO 0.00 0.00 -0.85 0.54 -1.03 0.00 0.00 179.24 177.90 2br3 n ARG 40 N -2.30 3.31 -0.13 4.15 1.74 -0.93 -4.92 116.66 117.58 2br3 n ARG 40 Ca 0.04 -4.11 -0.02 0.00 -0.77 0.00 0.00 57.85 52.99 2br3 n ARG 40 Cb 0.35 -2.17 0.22 0.00 -1.02 0.00 0.00 32.46 29.84 2br3 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br3 h TRP 41 N 2.30 0.83 0.00 -1.55 7.01 -1.52 -2.30 115.95 120.73 2br3 h TRP 41 Ca 0.29 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.24 2br3 h TRP 41 Cb 1.42 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2br3 h TRP 41 CO 0.79 0.66 0.00 0.00 -2.79 0.00 0.00 178.44 177.10 2br3 n ALA 42 N -2.46 2.20 1.39 2.65 0.00 -1.26 -2.94 120.51 120.09 2br3 n ALA 42 Ca 0.05 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.55 2br3 n ALA 42 Cb 0.18 -1.43 0.48 0.00 0.00 0.00 0.00 19.45 18.68 2br3 n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2br3 n GLU 43 N -1.68 1.15 -2.32 0.00 1.02 -0.86 -4.92 120.64 113.02 2br3 n GLU 43 Ca 0.06 -0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 56.15 2br3 n GLU 43 Cb 0.33 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 2br3 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2br3 s ALA 44 N -2.28 3.47 0.53 0.62 0.00 -1.15 -4.99 121.76 117.95 2br3 s ALA 44 Ca 0.31 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 2br3 s ALA 44 Cb 0.20 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 2br3 s ALA 44 CO 0.44 -0.44 1.25 -1.25 0.00 0.00 0.00 175.76 175.76 2br3 s PRO 45 N -0.18 3.30 -0.00 0.00 0.04 -1.26 -4.94 135.00 131.95 2br3 s PRO 45 Ca 0.54 1.97 0.20 0.00 0.04 0.00 0.00 61.00 63.76 2br3 s PRO 45 Cb -0.34 -2.22 -0.23 0.00 0.04 0.00 0.00 34.50 31.75 2br3 s PRO 45 CO 0.37 -0.98 0.85 0.54 0.04 0.00 0.00 177.00 177.82 2br3 n ARG 46 N -1.00 0.23 -2.46 4.56 5.12 -1.26 -4.96 116.66 116.90 2br3 n ARG 46 Ca 0.10 -0.01 -0.25 0.00 -1.93 0.00 0.00 57.85 55.76 2br3 n ARG 46 Cb 0.47 -1.47 0.04 0.00 -1.16 0.00 0.00 32.46 30.34 2br3 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br3 s ASP 47 N -3.05 5.38 0.52 0.55 1.47 -1.26 -4.97 116.67 115.32 2br3 s ASP 47 Ca 0.07 0.49 0.18 0.00 1.18 0.00 0.00 52.55 54.47 2br3 s ASP 47 Cb 0.15 -1.42 1.32 0.00 -0.34 0.00 0.00 42.92 42.64 2br3 s ASP 47 CO 0.85 -1.16 2.14 0.25 0.68 0.00 0.00 175.17 177.93 2br3 h LEU 48 N -0.18 0.00 0.00 2.11 5.85 -2.01 -3.46 115.31 117.63 2br3 h LEU 48 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2br3 h LEU 48 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2br3 h LEU 48 CO 0.59 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.33 2br3 n GLY 49 N -1.41 0.80 3.64 3.75 0.00 -1.26 -4.99 105.19 105.72 2br3 n GLY 49 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2br3 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br3 s TYR 50 N -3.07 -0.33 0.62 1.61 -0.85 -1.26 -4.49 117.35 109.57 2br3 s TYR 50 Ca 0.00 0.02 -0.18 0.00 -0.52 0.00 0.00 57.07 56.39 2br3 s TYR 50 Cb 0.00 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.94 2br3 s TYR 50 CO 0.00 -0.95 1.22 0.45 -1.52 0.00 0.00 175.55 174.74 2br3 s SER 51 N -2.81 5.00 -0.25 -0.18 0.15 -1.26 -4.95 113.70 109.41 2br3 s SER 51 Ca 0.07 2.41 0.12 0.00 0.70 0.00 0.00 55.95 59.25 2br3 s SER 51 Cb -0.03 -2.60 0.53 0.00 -1.71 0.00 0.00 66.02 62.21 2br3 s SER 51 CO -0.03 -1.72 1.47 -0.90 1.20 0.00 0.00 173.24 173.26 2br3 n ASP 52 N -1.77 3.18 0.12 5.45 5.75 -1.26 -4.76 116.55 123.27 2br3 n ASP 52 Ca 0.14 -3.42 -0.05 0.00 -0.01 0.00 0.00 54.79 51.45 2br3 n ASP 52 Cb 0.49 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.96 2br3 n ASP 52 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2br3 h PHE 53 N 1.35 -0.29 -1.31 2.11 -0.00 -2.05 -3.41 116.94 113.35 2br3 h PHE 53 Ca 0.14 -0.01 -0.44 0.00 -0.00 0.00 0.00 57.97 57.67 2br3 h PHE 53 Cb 1.63 0.09 -0.30 0.00 -0.00 0.00 0.00 35.95 37.37 2br3 h PHE 53 CO 0.82 -0.18 -0.90 0.45 -0.00 0.00 0.00 178.31 178.50 2br3 n SER 54 N -2.86 -0.87 0.00 0.41 2.88 -1.26 -4.99 113.62 106.93 2br3 n SER 54 Ca -0.04 -2.92 0.14 0.00 -1.33 0.00 0.00 58.87 54.72 2br3 n SER 54 Cb 0.12 0.22 0.71 0.00 -0.75 0.00 0.00 64.21 64.51 2br3 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br3 n PRO 55 N 1.44 0.31 -2.65 -1.46 -0.04 -1.26 -4.94 135.00 126.40 2br3 n PRO 55 Ca 0.17 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.35 2br3 n PRO 55 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2br3 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br3 s TYR 56 N -2.68 3.54 0.11 0.54 1.51 -1.26 -4.97 117.35 114.13 2br3 s TYR 56 Ca 0.24 0.92 -0.09 0.00 -1.01 0.00 0.00 57.07 57.14 2br3 s TYR 56 Cb 0.20 -2.38 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 2br3 s TYR 56 CO 0.47 -0.25 0.22 1.14 -1.11 0.00 0.00 175.55 176.02 2br3 s GLN 57 N -4.48 0.93 -0.12 -0.62 -2.07 -1.26 -2.03 119.66 110.02 2br3 s GLN 57 Ca 0.49 -1.02 -0.01 0.00 -1.82 0.00 0.00 55.36 53.00 2br3 s GLN 57 Cb -0.10 0.35 0.03 0.00 -1.09 0.00 0.00 33.01 32.20 2br3 s GLN 57 CO 0.41 -0.31 -0.03 -0.46 -1.32 0.00 0.00 175.29 173.58 2br3 s TRP 58 N -3.89 1.20 -1.69 9.60 -0.11 0.18 -4.80 118.94 119.42 2br3 s TRP 58 Ca 0.08 -0.63 -0.19 0.00 1.22 0.00 0.00 56.10 56.59 2br3 s TRP 58 Cb 0.04 -1.08 0.16 0.00 -1.50 0.00 0.00 33.47 31.10 2br3 s TRP 58 CO -0.08 -0.48 0.78 0.54 -4.62 0.00 0.00 176.95 173.09 2br3 n ARG 59 N 5.01 -3.09 -0.79 5.86 1.74 -1.26 -0.35 116.66 123.78 2br3 n ARG 59 Ca -0.10 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2br3 n ARG 59 Cb 0.49 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 26.83 2br3 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br3 n GLY 60 N -1.36 0.75 3.74 -0.13 0.00 -1.26 -5.04 105.19 101.88 2br3 n GLY 60 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2br3 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br3 s LEU 61 N 0.00 3.80 0.34 0.99 1.43 0.53 -4.40 118.68 121.37 2br3 s LEU 61 Ca 0.00 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 2br3 s LEU 61 Cb 0.00 -1.93 -0.12 0.00 0.03 0.00 0.00 46.19 44.18 2br3 s LEU 61 CO 0.00 0.37 1.47 0.54 0.23 0.00 0.00 176.35 178.96 2br3 n ARG 62 N 1.99 2.52 -3.99 1.70 1.74 -1.26 -0.65 116.66 118.71 2br3 n ARG 62 Ca -0.18 0.89 -0.34 0.00 -0.77 0.00 0.00 57.85 57.45 2br3 n ARG 62 Cb 0.54 -2.60 -0.15 0.00 -1.02 0.00 0.00 32.46 29.24 2br3 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2br3 s MET 63 N -1.49 2.74 0.16 5.56 -1.94 -0.86 -3.85 119.30 119.62 2br3 s MET 63 Ca 0.58 -1.03 0.26 0.00 -1.71 0.00 0.00 55.69 53.78 2br3 s MET 63 Cb -0.51 -2.93 0.67 0.00 2.01 0.00 0.00 34.83 34.07 2br3 s MET 63 CO 0.58 -0.41 1.62 1.28 -0.01 0.00 0.00 175.02 178.08 2br3 n LEU 64 N 4.62 0.72 -4.64 -0.03 4.77 -1.26 -4.30 117.00 116.88 2br3 n LEU 64 Ca -0.16 0.44 -0.40 0.00 -0.03 0.00 0.00 56.01 55.85 2br3 n LEU 64 Cb 0.46 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 2br3 n LEU 64 CO 0.26 -0.12 0.34 -0.54 -1.33 0.00 0.00 177.39 176.00 2br3 s LYS 65 N -3.11 4.13 0.82 3.23 1.02 -1.26 -5.07 119.74 119.50 2br3 s LYS 65 Ca 0.09 0.50 -0.12 0.00 0.02 0.00 0.00 55.97 56.46 2br3 s LYS 65 Cb 0.13 -3.62 0.09 0.00 -0.52 0.00 0.00 37.83 33.91 2br3 s LYS 65 CO 0.64 -0.33 1.16 0.16 -0.92 0.00 0.00 175.35 176.06 2br3 s ASP 66 N 1.39 4.36 0.29 2.83 1.47 -1.26 -4.70 116.67 121.05 2br3 s ASP 66 Ca 0.25 0.85 0.04 0.00 1.18 0.00 0.00 52.55 54.88 2br3 s ASP 66 Cb -0.16 -1.38 0.71 0.00 -0.34 0.00 0.00 42.92 41.75 2br3 s ASP 66 CO 0.09 -2.01 1.74 -0.65 0.68 0.00 0.00 175.17 175.02 2br3 h PRO 67 N -1.12 0.57 -0.74 2.11 0.11 -1.97 -1.44 132.00 129.51 2br3 h PRO 67 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2br3 h PRO 67 Cb 1.32 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2br3 h PRO 67 CO 0.65 0.38 0.22 -0.44 -0.21 0.00 0.00 178.00 178.60 2br3 h ASP 68 N 0.58 1.09 -0.80 -2.05 5.19 -1.93 -2.02 116.42 116.48 2br3 h ASP 68 Ca 0.56 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 2br3 h ASP 68 Cb 0.95 -0.29 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 2br3 h ASP 68 CO -0.44 1.02 0.40 0.74 -3.12 0.00 0.00 179.24 177.84 2br3 h THR 69 N 1.11 1.25 -0.15 0.35 2.02 -1.61 -2.79 112.91 113.09 2br3 h THR 69 Ca 0.24 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 2br3 h THR 69 Cb 0.32 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2br3 h THR 69 CO -0.01 0.30 -0.10 1.56 0.37 0.00 0.00 175.52 177.64 2br3 h GLN 70 N 1.14 0.23 -0.21 6.66 4.20 -0.92 -2.15 115.11 124.06 2br3 h GLN 70 Ca 0.28 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.75 2br3 h GLN 70 Cb 0.10 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2br3 h GLN 70 CO -0.04 0.35 -0.63 0.00 -0.67 0.00 0.00 178.83 177.84 2br3 h ALA 71 N 1.68 0.49 0.09 3.87 0.00 -1.14 0.02 119.26 124.26 2br3 h ALA 71 Ca 0.05 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2br3 h ALA 71 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2br3 h ALA 71 CO 0.02 0.69 -0.04 0.28 0.00 0.00 0.00 179.25 180.20 2br3 h VAL 72 N 0.54 1.05 0.00 0.00 2.07 -1.24 -2.42 116.25 116.26 2br3 h VAL 72 Ca -0.01 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2br3 h VAL 72 Cb 1.23 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2br3 h VAL 72 CO 0.13 0.13 -0.07 1.88 0.02 0.00 0.00 177.57 179.65 2br3 h TYR 73 N -0.35 0.00 -0.58 1.57 0.99 -1.38 -0.65 116.97 116.57 2br3 h TYR 73 Ca -0.01 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.62 2br3 h TYR 73 Cb 0.30 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.01 2br3 h TYR 73 CO 0.00 0.07 -0.00 1.25 -0.00 0.00 0.00 178.16 179.48 2br3 h HIS 74 N 0.00 1.13 -0.02 4.88 2.76 -0.73 -1.70 115.15 121.47 2br3 h HIS 74 Ca -0.00 -0.20 -0.24 0.00 -2.20 0.00 0.00 60.37 57.74 2br3 h HIS 74 Cb 0.13 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 28.80 2br3 h HIS 74 CO 0.00 1.00 -0.95 -0.44 -1.30 0.00 0.00 177.93 176.24 2br3 h ASP 75 N 0.93 0.70 0.28 3.26 3.32 -0.86 -2.40 116.42 121.65 2br3 h ASP 75 Ca 0.17 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2br3 h ASP 75 Cb 0.55 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2br3 h ASP 75 CO 0.03 1.34 -0.13 -0.03 -1.72 0.00 0.00 179.24 178.73 2br3 h MET 76 N 0.32 -0.36 -0.82 3.56 4.05 -1.11 -1.54 114.93 119.03 2br3 h MET 76 Ca -0.09 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.42 2br3 h MET 76 Cb 1.59 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 32.42 2br3 h MET 76 CO 0.18 -0.14 0.53 -0.07 0.23 0.00 0.00 176.91 177.64 2br3 h LEU 77 N -0.52 0.78 -0.10 3.39 4.07 -1.34 0.26 115.31 121.85 2br3 h LEU 77 Ca -0.04 0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.69 2br3 h LEU 77 Cb 0.39 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 41.98 2br3 h LEU 77 CO 0.06 0.50 -0.99 -0.25 -1.08 0.00 0.00 178.44 176.69 2br3 h TRP 78 N 0.88 0.78 0.38 1.13 2.91 -1.28 0.62 115.95 121.37 2br3 h TRP 78 Ca 0.35 -0.42 -0.02 0.00 1.13 0.00 0.00 58.89 59.93 2br3 h TRP 78 Cb 0.24 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 2br3 h TRP 78 CO -0.00 1.25 -0.18 1.49 -1.03 0.00 0.00 178.44 179.97 2br3 h GLU 79 N 0.29 -0.49 0.02 2.65 4.81 -0.98 -3.39 114.58 117.49 2br3 h GLU 79 Ca -0.10 0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 58.96 2br3 h GLU 79 Cb 1.63 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 2br3 h GLU 79 CO 0.18 -0.22 -0.94 1.25 -0.73 0.00 0.00 179.01 178.55 2br3 h LEU 80 N -1.04 0.20 -3.07 1.64 7.12 -0.55 -3.49 115.31 116.12 2br3 h LEU 80 Ca -0.05 -0.18 -0.37 0.00 0.13 0.00 0.00 57.88 57.41 2br3 h LEU 80 Cb 0.51 -0.06 0.09 0.00 -0.53 0.00 0.00 40.66 40.67 2br3 h LEU 80 CO 0.09 1.03 -0.86 0.54 -0.13 0.00 0.00 178.44 179.11 2br3 n ARG 81 N -3.57 -1.39 -2.12 1.25 1.74 0.21 -4.80 116.66 107.98 2br3 n ARG 81 Ca -0.03 0.62 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 2br3 n ARG 81 Cb 0.86 -4.39 -0.02 0.00 -1.02 0.00 0.00 32.46 27.88 2br3 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br3 s PRO 82 N -5.44 4.34 0.00 5.56 0.04 -1.26 -4.52 135.00 133.72 2br3 s PRO 82 Ca 0.41 2.19 0.24 0.00 0.04 0.00 0.00 61.00 63.88 2br3 s PRO 82 Cb -0.13 -3.13 0.38 0.00 0.04 0.00 0.00 34.50 31.66 2br3 s PRO 82 CO 0.84 -0.28 1.32 0.54 0.04 0.00 0.00 177.00 179.46 2br3 n ARG 83 N 1.94 0.46 -3.75 4.56 1.74 0.04 -4.39 116.66 117.26 2br3 n ARG 83 Ca 0.04 -0.32 -0.14 0.00 -0.77 0.00 0.00 57.85 56.67 2br3 n ARG 83 Cb 0.42 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 2br3 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2br3 s THR 84 N -2.76 -0.05 -0.21 0.55 2.01 -1.12 -0.87 115.64 113.20 2br3 s THR 84 Ca 0.16 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.36 2br3 s THR 84 Cb 0.18 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.51 2br3 s THR 84 CO 0.65 0.08 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.89 2br3 s ILE 85 N 1.18 1.91 -0.17 1.82 1.01 -0.91 -1.74 121.20 124.30 2br3 s ILE 85 Ca -0.09 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.33 2br3 s ILE 85 Cb -0.12 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2br3 s ILE 85 CO -0.06 0.25 0.13 -0.69 0.00 0.00 0.00 174.94 174.57 2br3 s VAL 86 N 1.29 5.37 -0.28 2.92 1.01 0.35 -0.42 120.40 130.64 2br3 s VAL 86 Ca -0.01 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2br3 s VAL 86 Cb -0.16 -3.41 0.08 0.00 0.00 0.00 0.00 36.38 32.88 2br3 s VAL 86 CO -0.09 0.49 -0.01 -0.70 0.00 0.00 0.00 175.10 174.79 2br3 s GLU 87 N -0.04 1.58 -0.26 2.72 2.12 -0.17 -0.95 118.70 123.70 2br3 s GLU 87 Ca 0.10 -1.34 -0.29 0.00 0.36 0.00 0.00 54.97 53.80 2br3 s GLU 87 Cb -0.11 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 2br3 s GLU 87 CO -0.00 -0.75 1.62 -1.17 -0.54 0.00 0.00 175.26 174.43 2br3 s LEU 88 N 1.22 3.80 0.00 2.70 0.20 -0.33 -1.94 118.68 124.33 2br3 s LEU 88 Ca 0.01 1.49 0.00 0.00 0.69 0.00 0.00 54.13 56.32 2br3 s LEU 88 Cb -0.19 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.04 2br3 s LEU 88 CO -0.09 -1.35 0.00 0.61 -0.29 0.00 0.00 176.35 175.23 2br3 n GLY 89 N 4.82 -0.27 0.99 7.98 0.00 0.22 -0.94 105.19 118.00 2br3 n GLY 89 Ca 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2br3 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br3 n VAL 90 N 1.62 0.00 0.00 1.61 0.31 -1.26 -4.76 118.33 115.85 2br3 n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2br3 n VAL 90 Cb 0.00 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2br3 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br3 n TYR 91 N -2.76 0.00 0.45 3.52 9.36 -1.26 -2.71 117.16 123.75 2br3 n TYR 91 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 2br3 n TYR 91 Cb 0.38 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.02 2br3 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br3 n ASN 92 N 10.25 0.51 0.00 2.98 6.94 -1.26 -3.03 115.26 131.65 2br3 n ASN 92 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 2br3 n ASN 92 Cb 0.00 1.22 0.00 0.00 -2.36 0.00 0.00 39.78 38.64 2br3 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br3 n GLY 93 N 1.35 0.70 0.16 4.83 0.00 -1.10 -1.11 105.19 110.01 2br3 n GLY 93 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2br3 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br3 h GLY 94 N 0.00 -0.16 1.69 -0.02 0.00 -1.83 -2.05 103.07 100.70 2br3 h GLY 94 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 2br3 h GLY 94 CO 0.00 -0.12 -0.27 1.48 0.00 0.00 0.00 176.54 177.64 2br3 h SER 95 N -0.21 0.36 -0.64 0.19 4.64 -1.90 -1.67 113.55 114.32 2br3 h SER 95 Ca 0.03 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.31 2br3 h SER 95 Cb 0.24 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 2br3 h SER 95 CO -0.09 0.63 0.31 -0.07 -0.87 0.00 0.00 176.83 176.73 2br3 h LEU 96 N 0.32 0.40 -0.24 5.97 4.07 -1.83 -0.77 115.31 123.24 2br3 h LEU 96 Ca 0.05 0.05 -0.21 0.00 0.08 0.00 0.00 57.88 57.85 2br3 h LEU 96 Cb 0.64 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 2br3 h LEU 96 CO 0.05 0.25 -0.91 0.00 -1.08 0.00 0.00 178.44 176.75 2br3 h ALA 97 N 1.38 0.46 -0.22 1.53 0.00 -0.90 -2.86 119.26 118.65 2br3 h ALA 97 Ca 0.31 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2br3 h ALA 97 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2br3 h ALA 97 CO -0.24 0.88 0.04 2.35 0.00 0.00 0.00 179.25 182.28 2br3 h TRP 98 N 0.15 0.37 -1.00 0.00 7.01 -1.06 -0.57 115.95 120.86 2br3 h TRP 98 Ca -0.06 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 60.92 2br3 h TRP 98 Cb 1.54 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 28.44 2br3 h TRP 98 CO 0.04 0.47 0.66 0.74 -2.79 0.00 0.00 178.44 177.56 2br3 h PHE 99 N 0.16 1.24 -0.30 2.65 0.05 -1.13 -0.71 116.94 118.90 2br3 h PHE 99 Ca 0.07 0.03 -0.12 0.00 3.82 0.00 0.00 57.97 61.76 2br3 h PHE 99 Cb 0.29 -0.42 -0.00 0.00 2.00 0.00 0.00 35.95 37.82 2br3 h PHE 99 CO 0.01 0.75 -0.29 -0.09 -0.18 0.00 0.00 178.31 178.51 2br3 h ARG 100 N 1.31 0.72 -0.40 1.51 1.12 -1.31 -1.93 114.38 115.41 2br3 h ARG 100 Ca 0.38 -0.38 -0.15 0.00 -1.11 0.00 0.00 59.98 58.72 2br3 h ARG 100 Cb -0.08 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 2br3 h ARG 100 CO -0.10 1.00 -0.34 -0.44 -3.11 0.00 0.00 179.97 176.98 2br3 h ASP 101 N 0.47 0.98 0.05 -3.80 3.32 -0.66 -1.68 116.42 115.10 2br3 h ASP 101 Ca 0.05 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 2br3 h ASP 101 Cb 0.87 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2br3 h ASP 101 CO 0.07 1.22 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.72 2br3 h LEU 102 N 0.77 -0.05 -1.66 1.55 -0.00 -1.14 -1.89 115.31 112.89 2br3 h LEU 102 Ca 0.07 -0.25 0.08 0.00 -0.00 0.00 0.00 57.88 57.78 2br3 h LEU 102 Cb 0.93 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 2br3 h LEU 102 CO 0.09 0.22 0.36 0.71 -0.00 0.00 0.00 178.44 179.82 2br3 h THR 103 N -0.33 0.93 0.05 0.22 1.35 -1.36 -1.72 112.91 112.05 2br3 h THR 103 Ca -0.01 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2br3 h THR 103 Cb 0.30 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 2br3 h THR 103 CO 0.01 0.07 -0.02 0.50 -0.25 0.00 0.00 175.52 175.83 2br3 h LYS 104 N 0.40 -0.07 0.00 4.72 3.11 -0.81 -0.04 116.57 123.89 2br3 h LYS 104 Ca 0.24 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.07 2br3 h LYS 104 Cb 0.43 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.67 2br3 h LYS 104 CO -0.06 0.35 -0.09 -0.84 -2.81 0.00 0.00 179.45 176.00 2br3 h ILE 105 N -0.51 0.28 0.00 2.00 3.07 -1.27 -1.59 117.51 119.50 2br3 h ILE 105 Ca -0.01 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2br3 h ILE 105 Cb 0.45 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2br3 h ILE 105 CO 0.01 0.09 0.00 0.23 -1.05 0.00 0.00 178.15 177.43 2br3 n MET 106 N -3.30 0.26 -1.29 0.16 2.81 -0.66 -4.90 117.12 110.20 2br3 n MET 106 Ca -0.01 0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.84 2br3 n MET 106 Cb 0.29 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 2br3 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br3 n GLY 107 N 0.88 1.15 3.80 3.03 0.00 -0.60 -5.02 105.19 108.42 2br3 n GLY 107 Ca 0.10 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 2br3 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br3 s ILE 108 N -2.36 4.82 -1.20 -0.61 1.01 -0.05 -5.02 121.20 117.78 2br3 s ILE 108 Ca 0.00 1.19 -0.13 0.00 0.00 0.00 0.00 60.65 61.71 2br3 s ILE 108 Cb 0.00 -3.89 0.19 0.00 0.01 0.00 0.00 42.46 38.76 2br3 s ILE 108 CO 0.00 0.51 1.43 -0.67 0.00 0.00 0.00 174.94 176.21 2br3 n ASP 109 N 2.05 5.27 -4.61 3.58 2.03 -1.26 -4.33 116.55 119.27 2br3 n ASP 109 Ca -0.10 -3.00 -0.31 0.00 0.52 0.00 0.00 54.79 51.90 2br3 n ASP 109 Cb 0.51 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 2br3 n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2br3 s GLN 111 N -1.73 2.28 -0.20 0.00 -1.52 -0.04 -4.90 119.66 113.54 2br3 s GLN 111 Ca 0.19 -1.41 -0.25 0.00 -1.95 0.00 0.00 55.36 51.95 2br3 s GLN 111 Cb -0.11 -3.23 -0.01 0.00 -0.22 0.00 0.00 33.01 29.44 2br3 s GLN 111 CO 0.11 -0.71 0.85 0.08 -0.25 0.00 0.00 175.29 175.36 2br3 s VAL 112 N 1.20 4.85 -0.07 1.09 1.01 -0.65 -2.13 120.40 125.70 2br3 s VAL 112 Ca -0.02 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.62 2br3 s VAL 112 Cb -0.20 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2br3 s VAL 112 CO -0.02 -0.03 -0.12 -0.63 0.00 0.00 0.00 175.10 174.30 2br3 s ILE 113 N 2.52 3.24 -0.08 2.22 1.01 0.45 -1.83 121.20 128.72 2br3 s ILE 113 Ca 0.37 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.41 2br3 s ILE 113 Cb -0.16 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.01 2br3 s ILE 113 CO 0.10 0.58 -0.18 -0.83 0.00 0.00 0.00 174.94 174.60 2br3 s GLY 114 N -0.54 1.07 -0.04 6.18 0.00 0.53 -1.00 107.32 113.51 2br3 s GLY 114 Ca 0.08 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.12 2br3 s GLY 114 CO 0.02 -0.15 -0.14 -0.42 0.00 0.00 0.00 173.10 172.40 2br3 s ILE 115 N 0.43 1.23 -0.17 0.90 1.01 -0.82 -0.95 121.20 122.84 2br3 s ILE 115 Ca -0.15 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 2br3 s ILE 115 Cb -0.16 -1.07 0.12 0.00 0.01 0.00 0.00 42.46 41.35 2br3 s ILE 115 CO 0.06 0.36 0.96 -0.62 0.00 0.00 0.00 174.94 175.70 2br3 s ASP 116 N 0.16 -0.43 0.24 3.58 -1.08 -0.78 0.73 116.67 119.10 2br3 s ASP 116 Ca -0.05 0.54 0.05 0.00 -0.52 0.00 0.00 52.55 52.57 2br3 s ASP 116 Cb -0.11 0.45 0.28 0.00 -1.46 0.00 0.00 42.92 42.07 2br3 s ASP 116 CO 0.02 -0.34 1.58 0.08 0.52 0.00 0.00 175.17 177.03 2br3 h ARG 117 N 2.93 0.23 -4.96 4.34 0.11 -1.77 -2.04 114.38 113.21 2br3 h ARG 117 Ca -0.21 -0.15 -0.67 0.00 0.10 0.00 0.00 59.98 59.05 2br3 h ARG 117 Cb 1.16 0.02 -0.36 0.00 1.11 0.00 0.00 29.97 31.90 2br3 h ARG 117 CO 0.28 0.74 -0.84 0.34 0.10 0.00 0.00 179.97 180.60 2br3 s ASP 118 N -6.89 3.54 0.00 0.08 2.15 -1.26 -4.76 116.67 109.53 2br3 s ASP 118 Ca -0.04 -0.89 0.16 0.00 0.43 0.00 0.00 52.55 52.21 2br3 s ASP 118 Cb 0.12 -1.48 0.18 0.00 -0.30 0.00 0.00 42.92 41.44 2br3 s ASP 118 CO 0.79 -0.07 1.07 0.18 -0.17 0.00 0.00 175.17 176.97 2br3 n LEU 119 N 4.57 2.51 0.14 -1.34 4.77 -1.26 -4.64 117.00 121.74 2br3 n LEU 119 Ca -0.18 -1.14 0.11 0.00 -0.03 0.00 0.00 56.01 54.76 2br3 n LEU 119 Cb 0.47 -0.05 0.52 0.00 -2.33 0.00 0.00 43.42 42.03 2br3 n LEU 119 CO 0.24 0.48 0.82 -1.54 -1.33 0.00 0.00 177.39 176.06 2br3 n SER 120 N 0.93 0.56 -0.46 -1.43 3.41 -1.26 -1.59 113.62 113.78 2br3 n SER 120 Ca 0.11 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.55 2br3 n SER 120 Cb 0.42 -0.80 0.29 0.00 -0.26 0.00 0.00 64.21 63.87 2br3 n SER 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2br3 n ARG 121 N -2.20 1.34 -2.26 4.33 3.00 -1.26 -4.91 116.66 114.71 2br3 n ARG 121 Ca 0.00 -0.92 -0.43 0.00 -0.01 0.00 0.00 57.85 56.49 2br3 n ARG 121 Cb 0.11 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 31.06 2br3 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2br3 n GLN 123 N 7.03 2.10 -1.91 0.00 1.13 -0.27 -4.94 117.38 120.53 2br3 n GLN 123 Ca 0.16 -1.60 -0.42 0.00 -1.94 0.00 0.00 57.00 53.20 2br3 n GLN 123 Cb 0.45 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 2br3 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br3 s ILE 124 N -1.96 2.73 0.48 5.09 1.01 -1.25 -4.97 121.20 122.33 2br3 s ILE 124 Ca 0.32 0.41 -0.24 0.00 0.00 0.00 0.00 60.65 61.15 2br3 s ILE 124 Cb 0.20 -3.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.34 2br3 s ILE 124 CO 0.31 0.02 1.34 -2.84 0.00 0.00 0.00 174.94 173.77 2br3 s PRO 125 N 1.77 3.54 0.55 2.79 0.02 -1.26 -4.90 135.00 137.50 2br3 s PRO 125 Ca 0.72 2.20 0.32 0.00 0.02 0.00 0.00 61.00 64.26 2br3 s PRO 125 Cb -0.43 -2.49 1.58 0.00 0.02 0.00 0.00 34.50 33.18 2br3 s PRO 125 CO 0.32 -0.86 2.09 0.00 -0.33 0.00 0.00 177.00 178.22 2br3 h ALA 126 N 2.02 1.15 0.00 -1.55 0.00 -2.00 -1.34 119.26 117.55 2br3 h ALA 126 Ca -0.50 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2br3 h ALA 126 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2br3 h ALA 126 CO 0.60 0.10 -0.35 0.66 0.00 0.00 0.00 179.25 180.25 2br3 h SER 127 N 0.00 0.00 -1.43 0.00 4.64 -2.03 -3.31 113.55 111.41 2br3 h SER 127 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 2br3 h SER 127 Cb 0.34 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.11 2br3 h SER 127 CO 0.01 0.35 0.50 -0.67 -0.87 0.00 0.00 176.83 176.16 2br3 n ASP 128 N -3.52 6.85 -0.13 4.97 2.03 -0.50 -4.60 116.55 121.64 2br3 n ASP 128 Ca -0.00 -3.79 0.02 0.00 0.52 0.00 0.00 54.79 51.53 2br3 n ASP 128 Cb 0.50 -0.86 0.02 0.00 -0.72 0.00 0.00 41.12 40.06 2br3 n ASP 128 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2br3 n MET 129 N -0.68 -0.24 -1.92 -0.67 1.56 -1.25 -4.84 117.12 109.08 2br3 n MET 129 Ca 0.54 -0.78 -0.41 0.00 -0.27 0.00 0.00 57.70 56.77 2br3 n MET 129 Cb 0.53 -1.06 -0.02 0.00 2.15 0.00 0.00 33.22 34.82 2br3 n MET 129 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2br3 s GLU 130 N -0.34 4.21 -1.82 2.12 2.12 -1.26 -1.91 118.70 121.82 2br3 s GLU 130 Ca 0.04 2.42 0.00 0.00 0.36 0.00 0.00 54.97 57.79 2br3 s GLU 130 Cb 0.03 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.37 2br3 s GLU 130 CO 0.04 -0.47 0.00 0.09 -0.54 0.00 0.00 175.26 174.38 2br3 n ASN 131 N 1.65 -5.55 -3.95 -1.70 3.02 -1.26 -5.01 115.26 102.46 2br3 n ASN 131 Ca 0.05 0.15 -0.23 0.00 -0.03 0.00 0.00 54.58 54.52 2br3 n ASN 131 Cb 0.39 -4.65 -0.17 0.00 -0.61 0.00 0.00 39.78 34.75 2br3 n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2br3 s ILE 132 N -2.90 0.84 -0.12 2.41 1.01 -0.81 -1.63 121.20 120.01 2br3 s ILE 132 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2br3 s ILE 132 Cb 0.00 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.66 2br3 s ILE 132 CO 0.00 0.30 -0.17 -0.89 0.00 0.00 0.00 174.94 174.17 2br3 s THR 133 N 0.93 1.67 0.07 2.92 2.01 -0.76 -5.01 115.64 117.48 2br3 s THR 133 Ca -0.10 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.05 2br3 s THR 133 Cb -0.15 -1.51 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 2br3 s THR 133 CO 0.01 0.47 0.39 -0.76 -0.69 0.00 0.00 174.62 174.04 2br3 s LEU 134 N 0.90 4.35 -0.11 4.42 1.02 -1.26 -0.35 118.68 127.65 2br3 s LEU 134 Ca -0.08 0.77 -0.04 0.00 0.02 0.00 0.00 54.13 54.81 2br3 s LEU 134 Cb -0.15 -2.95 0.05 0.00 0.02 0.00 0.00 46.19 43.16 2br3 s LEU 134 CO -0.01 0.18 0.15 -1.00 0.02 0.00 0.00 176.35 175.69 2br3 s HIS 135 N -1.39 -0.11 -0.77 0.29 3.76 -0.13 -4.94 115.29 112.01 2br3 s HIS 135 Ca 0.32 0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 55.42 2br3 s HIS 135 Cb -0.14 -0.38 0.16 0.00 1.11 0.00 0.00 32.58 33.33 2br3 s HIS 135 CO 0.18 -0.36 0.83 -1.14 -0.85 0.00 0.00 174.74 173.40 2br3 s GLN 136 N 2.26 3.40 0.11 1.40 0.74 -1.26 -1.87 119.66 124.45 2br3 s GLN 136 Ca 0.04 -1.90 -0.01 0.00 0.05 0.00 0.00 55.36 53.54 2br3 s GLN 136 Cb -0.13 -4.51 -0.04 0.00 1.10 0.00 0.00 33.01 29.43 2br3 s GLN 136 CO -0.07 -1.49 0.03 0.20 -0.55 0.00 0.00 175.29 173.41 2br3 s GLY 137 N 3.06 0.86 0.60 2.59 0.00 -0.77 -4.92 107.32 108.74 2br3 s GLY 137 Ca 0.19 -1.41 -0.11 0.00 0.00 0.00 0.00 44.72 43.39 2br3 s GLY 137 CO -0.04 -1.36 1.01 -0.35 0.00 0.00 0.00 173.10 172.36 2br3 s ASP 138 N -3.02 6.28 -0.05 1.64 3.68 -1.26 -2.37 116.67 121.57 2br3 s ASP 138 Ca 0.20 1.41 -0.00 0.00 2.13 0.00 0.00 52.55 56.28 2br3 s ASP 138 Cb 0.08 -2.46 -0.00 0.00 -1.45 0.00 0.00 42.92 39.08 2br3 s ASP 138 CO -0.01 -0.82 -0.01 0.00 0.13 0.00 0.00 175.17 174.46 2br3 h SER 140 N -0.53 0.00 -3.68 0.00 4.64 -1.94 -3.34 113.55 108.70 2br3 h SER 140 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2br3 h SER 140 Cb 0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.03 2br3 h SER 140 CO 0.00 0.00 0.89 -0.62 -0.87 0.00 0.00 176.83 176.23 2br3 s ASP 141 N -4.57 6.60 0.43 4.97 2.15 -1.26 -4.90 116.67 120.09 2br3 s ASP 141 Ca -0.03 0.39 0.30 0.00 0.43 0.00 0.00 52.55 53.64 2br3 s ASP 141 Cb 0.12 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 41.55 2br3 s ASP 141 CO 0.40 -1.25 1.90 -0.07 -0.17 0.00 0.00 175.17 175.98 2br3 h LEU 142 N 11.20 0.00 -1.17 -1.34 3.38 -1.90 -3.11 115.31 122.37 2br3 h LEU 142 Ca -0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2br3 h LEU 142 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2br3 h LEU 142 CO 1.12 0.00 -0.37 0.71 0.09 0.00 0.00 178.44 179.99 2br3 h THR 143 N 0.00 1.04 -1.00 0.22 1.35 -1.91 -2.42 112.91 110.19 2br3 h THR 143 Ca 0.00 -1.37 0.33 0.00 -0.55 0.00 0.00 66.41 64.83 2br3 h THR 143 Cb 0.32 1.79 -0.15 0.00 -1.73 0.00 0.00 68.15 68.38 2br3 h THR 143 CO 0.00 0.36 0.57 0.74 -0.25 0.00 0.00 175.52 176.94 2br3 h THR 144 N 0.00 0.26 0.11 6.82 2.02 -1.84 -2.74 112.91 117.55 2br3 h THR 144 Ca -0.00 -0.10 -0.32 0.00 0.77 0.00 0.00 66.41 66.75 2br3 h THR 144 Cb 0.76 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2br3 h THR 144 CO 0.05 0.05 -1.71 -0.26 0.37 0.00 0.00 175.52 174.02 2br3 h PHE 145 N 0.29 0.42 -0.54 3.16 -1.00 -1.67 -3.32 116.94 114.27 2br3 h PHE 145 Ca 0.75 -0.30 0.10 0.00 2.81 0.00 0.00 57.97 61.32 2br3 h PHE 145 Cb 1.75 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 41.22 2br3 h PHE 145 CO -0.01 1.46 0.10 1.49 -1.61 0.00 0.00 178.31 179.74 2br3 h GLU 146 N 0.06 0.22 0.00 1.51 4.57 -1.48 -2.58 114.58 116.88 2br3 h GLU 146 Ca -0.31 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2br3 h GLU 146 Cb 2.03 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 2br3 h GLU 146 CO 0.13 0.15 0.79 0.45 -1.18 0.00 0.00 179.01 179.34 2br3 h HIS 147 N 0.23 0.00 -0.76 0.92 3.86 -1.62 -2.72 115.15 115.05 2br3 h HIS 147 Ca 0.28 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.16 2br3 h HIS 147 Cb 0.39 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 28.64 2br3 h HIS 147 CO -0.25 0.00 -0.69 1.47 0.86 0.00 0.00 177.93 179.32 2br3 n LEU 148 N -2.05 -1.98 -1.93 2.43 -0.00 -0.97 -4.85 117.00 107.65 2br3 n LEU 148 Ca -0.00 -3.71 -0.21 0.00 -0.00 0.00 0.00 56.01 52.08 2br3 n LEU 148 Cb 0.79 0.76 0.14 0.00 -0.00 0.00 0.00 43.42 45.12 2br3 n LEU 148 CO 0.01 2.01 1.04 -2.11 -0.00 0.00 0.00 177.39 178.34 2br3 n ARG 149 N 1.75 2.37 0.00 1.47 1.85 -1.03 -4.40 116.66 118.68 2br3 n ARG 149 Ca 0.14 -3.25 0.13 0.00 -1.00 0.00 0.00 57.85 53.87 2br3 n ARG 149 Cb 0.59 -2.11 0.52 0.00 -1.05 0.00 0.00 32.46 30.41 2br3 n ARG 149 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2br3 n GLU 150 N -1.04 0.04 -2.38 2.89 4.71 -1.26 -4.96 120.64 118.63 2br3 n GLU 150 Ca 0.51 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 57.31 2br3 n GLU 150 Cb 1.17 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 30.08 2br3 n GLU 150 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2br3 s MET 151 N -2.96 3.56 0.81 3.49 -1.94 -1.26 -5.03 119.30 115.96 2br3 s MET 151 Ca 0.14 1.51 -0.11 0.00 -1.71 0.00 0.00 55.69 55.52 2br3 s MET 151 Cb 0.19 -2.06 0.07 0.00 2.01 0.00 0.00 34.83 35.05 2br3 s MET 151 CO 0.57 -0.66 1.10 0.00 -0.01 0.00 0.00 175.02 176.02 2br3 s ALA 152 N -1.85 2.19 0.26 3.03 0.00 -1.26 -5.07 121.76 119.06 2br3 s ALA 152 Ca 0.70 -0.19 0.12 0.00 0.00 0.00 0.00 51.96 52.59 2br3 s ALA 152 Cb -0.21 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2br3 s ALA 152 CO 0.24 -1.78 -0.21 -1.01 0.00 0.00 0.00 175.76 173.00 2br3 s HIS 153 N -3.14 2.29 0.77 0.00 3.76 -1.26 -4.14 115.29 113.58 2br3 s HIS 153 Ca 0.61 -0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 55.07 2br3 s HIS 153 Cb -0.15 -1.03 0.06 0.00 1.11 0.00 0.00 32.58 32.57 2br3 s HIS 153 CO 0.54 0.67 1.08 -2.14 -0.85 0.00 0.00 174.74 174.05 2br3 s PRO 154 N -3.32 2.27 -0.01 8.40 0.02 -1.26 -4.60 135.00 136.50 2br3 s PRO 154 Ca 0.28 0.94 0.01 0.00 0.02 0.00 0.00 61.00 62.25 2br3 s PRO 154 Cb -0.06 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.55 2br3 s PRO 154 CO 0.14 -1.57 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.04 2br3 s LEU 155 N -5.83 1.84 -0.23 -5.54 0.20 -1.26 -0.78 118.68 107.08 2br3 s LEU 155 Ca 0.60 -0.06 -0.01 0.00 0.69 0.00 0.00 54.13 55.36 2br3 s LEU 155 Cb -0.16 -0.20 0.03 0.00 -0.43 0.00 0.00 46.19 45.43 2br3 s LEU 155 CO 0.56 0.02 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.90 2br3 s ILE 156 N 0.14 2.64 -0.18 6.68 1.01 -0.71 -1.87 121.20 128.91 2br3 s ILE 156 Ca -0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 2br3 s ILE 156 Cb -0.04 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2br3 s ILE 156 CO -0.00 0.26 0.10 0.12 0.00 0.00 0.00 174.94 175.42 2br3 s PHE 157 N 1.30 3.36 -0.11 3.97 5.36 -0.73 -0.50 117.98 130.64 2br3 s PHE 157 Ca 0.01 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.23 2br3 s PHE 157 Cb -0.16 -2.09 0.02 0.00 -0.34 0.00 0.00 43.02 40.45 2br3 s PHE 157 CO -0.06 0.30 -0.11 0.42 -1.46 0.00 0.00 175.22 174.30 2br3 s ILE 158 N 0.15 1.23 -0.40 3.12 1.01 -0.12 -1.37 121.20 124.82 2br3 s ILE 158 Ca 0.07 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 2br3 s ILE 158 Cb -0.12 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.19 2br3 s ILE 158 CO -0.00 0.39 0.59 -0.62 0.00 0.00 0.00 174.94 175.30 2br3 s ASP 159 N 1.27 6.32 -0.00 3.58 3.68 0.87 -1.18 116.67 131.21 2br3 s ASP 159 Ca -0.02 -0.23 0.02 0.00 2.13 0.00 0.00 52.55 54.45 2br3 s ASP 159 Cb -0.14 -2.30 0.05 0.00 -1.45 0.00 0.00 42.92 39.08 2br3 s ASP 159 CO -0.04 -0.66 1.04 0.47 0.13 0.00 0.00 175.17 176.11 2br3 n ASP 160 N 6.04 2.13 -0.08 -0.34 8.00 -0.11 -2.70 116.55 129.49 2br3 n ASP 160 Ca -0.03 -2.03 -0.10 0.00 0.71 0.00 0.00 54.79 53.34 2br3 n ASP 160 Cb 0.48 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 2br3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2br3 n ALA 161 N -0.39 1.65 -2.08 2.24 0.00 -1.09 -4.78 120.51 116.06 2br3 n ALA 161 Ca 0.02 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 2br3 n ALA 161 Cb 0.28 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 2br3 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2br3 n HIS 162 N -2.86 -0.53 -4.43 0.00 8.25 -1.26 -5.00 115.22 109.39 2br3 n HIS 162 Ca -0.27 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.85 2br3 n HIS 162 Cb 0.83 -2.93 -0.14 0.00 1.12 0.00 0.00 29.99 28.87 2br3 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br3 s ALA 163 N -2.67 2.65 -1.37 -1.41 0.00 -1.26 -4.63 121.76 113.06 2br3 s ALA 163 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2br3 s ALA 163 Cb 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.78 2br3 s ALA 163 CO 0.00 -0.03 1.13 -1.71 0.00 0.00 0.00 175.76 175.15 2br3 n ASN 164 N 4.05 -5.69 -0.11 0.00 4.05 -1.26 -4.69 115.26 111.62 2br3 n ASN 164 Ca -0.18 -0.59 -0.11 0.00 0.45 0.00 0.00 54.58 54.14 2br3 n ASN 164 Cb 0.52 -4.84 -0.03 0.00 1.23 0.00 0.00 39.78 36.66 2br3 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br3 h THR 165 N -2.53 1.28 -0.49 -0.44 2.02 -1.99 -2.18 112.91 108.57 2br3 h THR 165 Ca -0.57 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 65.38 2br3 h THR 165 Cb 1.37 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 2br3 h THR 165 CO 0.57 0.36 -0.11 -0.26 0.37 0.00 0.00 175.52 176.46 2br3 h PHE 166 N 0.39 1.05 -0.84 3.16 -1.00 -1.98 0.57 116.94 118.29 2br3 h PHE 166 Ca 0.08 -0.22 0.02 0.00 2.81 0.00 0.00 57.97 60.66 2br3 h PHE 166 Cb 0.57 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.82 2br3 h PHE 166 CO 0.05 1.01 0.55 -0.91 -1.61 0.00 0.00 178.31 177.39 2br3 h ASN 167 N 0.78 0.92 -0.33 2.17 2.35 -1.95 0.42 115.58 119.95 2br3 h ASN 167 Ca 0.12 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2br3 h ASN 167 Cb 0.66 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2br3 h ASN 167 CO 0.05 0.65 0.06 0.40 -1.65 0.00 0.00 177.43 176.94 2br3 h ILE 168 N 1.08 1.20 -0.44 2.81 2.04 -1.00 -1.30 117.51 121.90 2br3 h ILE 168 Ca 0.32 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 65.30 2br3 h ILE 168 Cb -0.05 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2br3 h ILE 168 CO -0.09 0.27 -0.26 -0.03 0.00 0.00 0.00 178.15 178.04 2br3 h MET 169 N 0.61 0.93 0.05 2.37 4.05 -0.22 -1.28 114.93 121.43 2br3 h MET 169 Ca 0.13 -0.41 -0.00 0.00 -0.28 0.00 0.00 59.70 59.14 2br3 h MET 169 Cb 0.29 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2br3 h MET 169 CO 0.00 1.07 -0.02 -0.22 0.23 0.00 0.00 176.91 177.97 2br3 h LYS 170 N 0.79 -0.06 -0.33 0.39 3.64 -0.36 -0.90 116.57 119.75 2br3 h LYS 170 Ca 0.10 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2br3 h LYS 170 Cb 0.82 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 2br3 h LYS 170 CO 0.07 -0.03 0.08 2.35 -2.27 0.00 0.00 179.45 179.65 2br3 h TRP 171 N -0.07 0.13 -0.90 1.91 7.01 -1.21 -2.43 115.95 120.39 2br3 h TRP 171 Ca -0.01 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.10 2br3 h TRP 171 Cb 0.06 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.04 2br3 h TRP 171 CO -0.07 0.04 0.58 0.00 -2.79 0.00 0.00 178.44 176.20 2br3 h ALA 172 N 1.23 1.60 -0.33 2.65 0.00 -0.99 -0.52 119.26 122.90 2br3 h ALA 172 Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2br3 h ALA 172 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2br3 h ALA 172 CO -0.19 0.23 -0.44 0.28 0.00 0.00 0.00 179.25 179.12 2br3 h VAL 173 N 0.93 1.28 0.18 0.00 2.07 -0.70 -0.69 116.25 119.32 2br3 h VAL 173 Ca 0.41 -1.63 -0.30 0.00 0.82 0.00 0.00 66.70 66.00 2br3 h VAL 173 Cb 0.37 1.49 0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2br3 h VAL 173 CO -0.18 0.54 -1.34 0.44 0.02 0.00 0.00 177.57 177.05 2br3 h ASP 174 N 0.69 0.70 0.00 0.57 3.32 -1.14 -3.39 116.42 117.18 2br3 h ASP 174 Ca 0.04 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.37 2br3 h ASP 174 Cb 1.03 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2br3 h ASP 174 CO 0.10 1.55 -0.73 1.41 -1.72 0.00 0.00 179.24 179.85 2br3 n HIS 175 N -3.67 0.00 0.01 4.55 8.25 -0.23 -4.86 115.22 119.26 2br3 n HIS 175 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2br3 n HIS 175 Cb 1.04 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 32.09 2br3 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br3 n LEU 176 N -1.40 0.11 -4.57 2.41 7.94 -0.75 -4.98 117.00 115.76 2br3 n LEU 176 Ca 0.00 0.03 -0.43 0.00 -1.11 0.00 0.00 56.01 54.51 2br3 n LEU 176 Cb 0.11 -0.02 -0.05 0.00 0.53 0.00 0.00 43.42 43.99 2br3 n LEU 176 CO 0.11 -0.21 0.63 -0.76 -1.11 0.00 0.00 177.39 176.05 2br3 s LEU 177 N -5.93 4.11 0.71 -1.96 1.43 -0.34 -5.04 118.68 111.67 2br3 s LEU 177 Ca 0.00 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 2br3 s LEU 177 Cb 0.00 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2br3 s LEU 177 CO 0.00 -0.85 1.08 -1.61 0.23 0.00 0.00 176.35 175.20 2br3 s GLU 178 N 3.32 2.82 0.30 1.70 2.02 -1.26 -4.91 118.70 122.69 2br3 s GLU 178 Ca 0.33 0.60 -0.28 0.00 0.02 0.00 0.00 54.97 55.64 2br3 s GLU 178 Cb -0.12 -2.01 -0.14 0.00 0.10 0.00 0.00 34.13 31.97 2br3 s GLU 178 CO 0.20 -1.09 1.11 -1.91 0.02 0.00 0.00 175.26 173.59 2br3 n GLU 179 N -3.07 1.59 0.00 1.61 2.13 -1.26 -1.94 120.64 119.70 2br3 n GLU 179 Ca 0.07 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2br3 n GLU 179 Cb 0.56 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.27 2br3 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2br3 n GLY 180 N 1.14 2.86 3.74 8.31 0.00 -0.79 -4.99 105.19 115.46 2br3 n GLY 180 Ca 0.08 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2br3 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br3 s ASP 181 N 0.72 4.87 0.10 1.61 1.01 -0.82 -4.69 116.67 119.48 2br3 s ASP 181 Ca 0.00 2.59 0.03 0.00 0.71 0.00 0.00 52.55 55.88 2br3 s ASP 181 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2br3 s ASP 181 CO 0.00 -1.82 0.11 -0.31 0.21 0.00 0.00 175.17 173.36 2br3 s TYR 182 N -1.42 3.23 -0.17 4.23 1.51 -0.78 -1.31 117.35 122.63 2br3 s TYR 182 Ca 0.79 0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 56.91 2br3 s TYR 182 Cb -0.36 -1.61 0.05 0.00 -0.11 0.00 0.00 41.96 39.93 2br3 s TYR 182 CO 0.39 0.53 0.03 0.12 -1.11 0.00 0.00 175.55 175.51 2br3 s PHE 183 N -1.49 0.95 -0.13 2.71 5.36 0.32 -1.78 117.98 123.92 2br3 s PHE 183 Ca 0.30 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 2br3 s PHE 183 Cb -0.12 -0.98 -0.01 0.00 -0.34 0.00 0.00 43.02 41.57 2br3 s PHE 183 CO 0.23 -0.55 -0.14 0.42 -1.46 0.00 0.00 175.22 173.71 2br3 s ILE 184 N 1.88 2.92 -0.36 3.12 1.01 -0.47 -2.36 121.20 126.94 2br3 s ILE 184 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 2br3 s ILE 184 Cb -0.16 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.13 2br3 s ILE 184 CO -0.07 0.53 0.16 -0.63 0.00 0.00 0.00 174.94 174.92 2br3 s ILE 185 N 0.36 4.21 0.25 2.92 1.01 -0.72 -0.09 121.20 129.13 2br3 s ILE 185 Ca -0.12 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.28 2br3 s ILE 185 Cb -0.16 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 2br3 s ILE 185 CO 0.06 -0.21 0.88 -1.61 0.00 0.00 0.00 174.94 174.06 2br3 s GLU 186 N 1.48 4.62 0.00 2.79 2.02 -1.10 -4.47 118.70 124.04 2br3 s GLU 186 Ca 0.00 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.27 2br3 s GLU 186 Cb -0.19 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2br3 s GLU 186 CO 0.05 0.43 0.00 -0.25 0.02 0.00 0.00 175.26 175.50 2br3 n ASP 187 N 1.06 0.00 -0.03 -0.19 8.00 0.75 -4.69 116.55 121.45 2br3 n ASP 187 Ca -0.01 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.44 2br3 n ASP 187 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.46 2br3 n ASP 187 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2br3 n MET 188 N 0.00 0.65 -0.07 -1.24 1.56 -1.26 -4.43 117.12 112.33 2br3 n MET 188 Ca 0.00 0.12 -0.10 0.00 -0.27 0.00 0.00 57.70 57.45 2br3 n MET 188 Cb 0.00 -1.68 -0.03 0.00 2.15 0.00 0.00 33.22 33.66 2br3 n MET 188 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2br3 h ILE 189 N 0.00 1.14 -0.93 1.12 2.04 -1.83 0.54 117.51 119.58 2br3 h ILE 189 Ca -0.31 -0.41 0.23 0.00 1.00 0.00 0.00 64.86 65.37 2br3 h ILE 189 Cb 1.86 0.97 -0.12 0.00 -0.74 0.00 0.00 36.82 38.78 2br3 h ILE 189 CO 0.04 0.14 0.47 -0.65 0.00 0.00 0.00 178.15 178.16 2br3 h PRO 190 N 0.26 0.46 -0.34 2.37 0.11 -1.81 -0.79 132.00 132.25 2br3 h PRO 190 Ca 0.08 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 2br3 h PRO 190 Cb 0.12 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 2br3 h PRO 190 CO -0.01 0.30 -0.39 1.88 -0.21 0.00 0.00 178.00 179.57 2br3 h TYR 191 N 0.47 1.06 -0.52 0.65 -1.99 -1.19 -2.10 116.97 113.36 2br3 h TYR 191 Ca 0.59 -0.33 -0.10 0.00 2.00 0.00 0.00 58.73 60.89 2br3 h TYR 191 Cb 1.11 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 2br3 h TYR 191 CO -0.09 1.14 -0.07 -1.49 -0.00 0.00 0.00 178.16 177.66 2br3 h TRP 192 N 0.67 1.02 -0.63 4.88 6.55 -0.65 -1.32 115.95 126.48 2br3 h TRP 192 Ca 0.05 -0.19 -0.08 0.00 0.95 0.00 0.00 58.89 59.62 2br3 h TRP 192 Cb 0.99 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 29.00 2br3 h TRP 192 CO 0.07 0.95 0.07 -0.92 -1.05 0.00 0.00 178.44 177.56 2br3 h TYR 193 N 0.84 1.12 -0.60 0.49 3.20 -1.16 0.15 116.97 121.01 2br3 h TYR 193 Ca 0.14 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2br3 h TYR 193 Cb 0.59 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2br3 h TYR 193 CO 0.04 0.95 0.07 -0.09 -1.64 0.00 0.00 178.16 177.49 2br3 h ARG 194 N 0.98 1.01 0.16 1.82 2.43 -1.10 -3.00 114.38 116.68 2br3 h ARG 194 Ca 0.19 -0.28 -0.34 0.00 -0.81 0.00 0.00 59.98 58.74 2br3 h ARG 194 Cb 0.46 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2br3 h ARG 194 CO 0.02 0.96 -1.72 1.88 -1.51 0.00 0.00 179.97 179.59 2br3 h TYR 195 N 0.91 0.63 -2.08 2.20 0.99 -1.13 -3.42 116.97 115.08 2br3 h TYR 195 Ca 0.18 -0.46 -0.57 0.00 2.00 0.00 0.00 58.73 59.87 2br3 h TYR 195 Cb 0.46 -0.03 -0.40 0.00 1.00 0.00 0.00 36.73 37.76 2br3 h TYR 195 CO 0.03 1.67 -0.94 0.00 -0.00 0.00 0.00 178.16 178.93 2br3 n ALA 196 N -2.91 2.97 -0.10 3.88 0.00 0.50 -4.98 120.51 119.86 2br3 n ALA 196 Ca -0.26 -3.84 -0.07 0.00 0.00 0.00 0.00 53.44 49.27 2br3 n ALA 196 Cb 1.04 -0.84 0.11 0.00 0.00 0.00 0.00 19.45 19.75 2br3 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br3 h PRO 197 N 4.10 0.80 0.26 0.00 0.13 -1.67 -0.19 132.00 135.43 2br3 h PRO 197 Ca 0.12 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2br3 h PRO 197 Cb 0.81 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2br3 h PRO 197 CO 0.58 0.90 -0.13 0.37 -0.23 0.00 0.00 178.00 179.49 2br3 h GLN 198 N 0.71 -0.34 -0.67 0.86 4.15 -1.94 -2.65 115.11 115.24 2br3 h GLN 198 Ca 0.11 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 2br3 h GLN 198 Cb 0.64 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 2br3 h GLN 198 CO 0.04 -0.05 0.14 -0.07 -1.93 0.00 0.00 178.83 176.97 2br3 h LEU 199 N -0.64 1.03 -0.13 -2.39 3.38 -1.95 -2.75 115.31 111.86 2br3 h LEU 199 Ca -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2br3 h LEU 199 Cb 0.45 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2br3 h LEU 199 CO 0.06 1.01 0.04 0.15 0.09 0.00 0.00 178.44 179.79 2br3 h PHE 200 N 1.01 0.20 -1.00 1.13 3.57 -1.09 -1.92 116.94 118.85 2br3 h PHE 200 Ca 0.21 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2br3 h PHE 200 Cb 0.39 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2br3 h PHE 200 CO 0.03 0.31 0.66 0.77 -2.23 0.00 0.00 178.31 177.85 2br3 h SER 201 N 0.04 1.14 0.12 0.41 0.02 -1.40 -0.78 113.55 113.10 2br3 h SER 201 Ca 0.04 -0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 2br3 h SER 201 Cb 0.20 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2br3 h SER 201 CO -0.00 0.83 -0.70 -0.08 -1.14 0.00 0.00 176.83 175.74 2br3 h GLU 202 N 1.35 0.52 -0.15 3.45 4.81 -1.36 -0.80 114.58 122.41 2br3 h GLU 202 Ca 0.37 -0.40 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2br3 h GLU 202 Cb -0.16 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2br3 h GLU 202 CO -0.08 1.03 -0.59 1.88 -0.73 0.00 0.00 179.01 180.52 2br3 h TYR 203 N 0.37 0.62 0.03 0.92 0.99 -1.06 -1.44 116.97 117.40 2br3 h TYR 203 Ca -0.03 -0.23 -0.21 0.00 2.00 0.00 0.00 58.73 60.26 2br3 h TYR 203 Cb 1.28 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 38.88 2br3 h TYR 203 CO 0.05 0.96 -0.97 1.25 -0.00 0.00 0.00 178.16 179.45 2br3 h LEU 204 N 0.37 0.21 -0.48 3.88 6.46 -1.06 -3.12 115.31 121.56 2br3 h LEU 204 Ca -0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2br3 h LEU 204 Cb 1.13 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2br3 h LEU 204 CO 0.11 1.06 0.00 1.23 -0.62 0.00 0.00 178.44 180.22 2br3 h GLY 205 N 2.11 0.00 2.00 3.75 0.00 -1.06 -2.89 103.07 106.98 2br3 h GLY 205 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2br3 h GLY 205 CO 0.14 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.68 2br3 h ALA 206 N 2.01 1.00 -0.66 3.60 0.00 -1.19 -2.56 119.26 121.46 2br3 h ALA 206 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2br3 h ALA 206 Cb 0.83 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.46 2br3 h ALA 206 CO 0.00 0.00 0.27 1.19 0.00 0.00 0.00 179.25 180.71 2br3 n PHE 207 N -2.46 2.12 0.19 0.00 3.01 -1.09 -4.78 117.46 114.46 2br3 n PHE 207 Ca 0.00 -1.48 0.04 0.00 1.01 0.00 0.00 57.45 57.02 2br3 n PHE 207 Cb 0.15 -0.68 0.37 0.00 -0.01 0.00 0.00 39.48 39.31 2br3 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br3 h ARG 208 N 1.61 0.00 -0.02 -1.08 0.11 -1.63 -1.88 114.38 111.50 2br3 h ARG 208 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 2br3 h ARG 208 Cb 2.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.31 2br3 h ARG 208 CO 0.71 0.38 -0.01 -0.25 0.10 0.00 0.00 179.97 180.90 2br3 n ASP 209 N -3.82 1.90 0.00 0.08 8.00 -1.26 -4.39 116.55 117.05 2br3 n ASP 209 Ca -0.01 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.87 2br3 n ASP 209 Cb 0.45 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2br3 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br3 n VAL 210 N 0.47 0.00 -4.36 2.53 0.24 -1.13 -4.82 118.33 111.26 2br3 n VAL 210 Ca 0.17 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.25 2br3 n VAL 210 Cb 0.42 -0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 31.97 2br3 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br3 s LEU 211 N -3.60 2.47 0.14 1.34 1.43 -0.72 -2.13 118.68 117.60 2br3 s LEU 211 Ca 0.00 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2br3 s LEU 211 Cb 0.00 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2br3 s LEU 211 CO 0.00 -0.03 0.07 -0.94 0.23 0.00 0.00 176.35 175.68 2br3 s SER 212 N -2.84 0.28 -0.25 2.29 1.04 -0.65 -4.60 113.70 108.98 2br3 s SER 212 Ca 0.18 -1.22 -0.13 0.00 0.48 0.00 0.00 55.95 55.27 2br3 s SER 212 Cb -0.05 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2br3 s SER 212 CO 0.08 -0.75 0.30 -0.32 0.98 0.00 0.00 173.24 173.53 2br3 s MET 213 N -4.06 4.05 -0.73 4.02 1.75 -1.26 -1.41 119.30 121.66 2br3 s MET 213 Ca 0.25 -0.06 -0.27 0.00 -1.25 0.00 0.00 55.69 54.36 2br3 s MET 213 Cb 0.07 -3.60 0.02 0.00 2.84 0.00 0.00 34.83 34.16 2br3 s MET 213 CO 0.03 -0.13 1.36 0.34 -0.65 0.00 0.00 175.02 175.97 2br3 s ASP 214 N 1.40 6.05 0.33 1.11 -1.08 -0.58 -4.86 116.67 119.03 2br3 s ASP 214 Ca 0.13 -0.37 0.26 0.00 -0.52 0.00 0.00 52.55 52.05 2br3 s ASP 214 Cb -0.15 -2.56 1.01 0.00 -1.46 0.00 0.00 42.92 39.77 2br3 s ASP 214 CO 0.08 -1.91 1.78 0.24 0.52 0.00 0.00 175.17 175.89 2br3 h MET 215 N 10.66 0.00 -0.25 4.34 2.86 -1.95 0.11 114.93 130.69 2br3 h MET 215 Ca -0.27 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 2br3 h MET 215 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2br3 h MET 215 CO 1.27 0.00 -0.26 1.25 1.06 0.00 0.00 176.91 180.24 2br3 h LEU 216 N 0.00 0.48 0.00 1.22 5.85 -1.99 -3.36 115.31 117.51 2br3 h LEU 216 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2br3 h LEU 216 Cb 0.48 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2br3 h LEU 216 CO 0.00 0.74 -1.20 -1.22 -0.34 0.00 0.00 178.44 176.42 2br3 n TYR 217 N -4.12 0.00 0.36 1.25 0.53 -0.87 -4.75 117.16 109.57 2br3 n TYR 217 Ca -0.00 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.01 2br3 n TYR 217 Cb 0.41 -0.16 0.55 0.00 -1.03 0.00 0.00 39.34 39.11 2br3 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br3 h ALA 218 N 0.93 1.00 -0.12 -0.72 0.00 -0.94 -2.95 119.26 116.45 2br3 h ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2br3 h ALA 218 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2br3 h ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2br3 n ASN 219 N -2.56 2.56 -0.19 0.00 3.02 -1.26 -0.70 115.26 116.13 2br3 n ASN 219 Ca 0.02 -2.37 0.11 0.00 -0.03 0.00 0.00 54.58 52.31 2br3 n ASN 219 Cb 0.27 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2br3 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br3 n ALA 220 N -0.45 4.16 -3.08 5.41 0.00 -1.12 -4.95 120.51 120.49 2br3 n ALA 220 Ca 0.09 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 2br3 n ALA 220 Cb 0.46 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 2br3 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br3 s SER 221 N -2.79 -0.23 0.24 0.00 1.04 -1.26 -4.83 113.70 105.88 2br3 s SER 221 Ca 0.13 -0.12 0.12 0.00 0.48 0.00 0.00 55.95 56.56 2br3 s SER 221 Cb 0.17 0.42 0.15 0.00 0.10 0.00 0.00 66.02 66.86 2br3 s SER 221 CO 0.73 -0.69 1.48 0.77 0.98 0.00 0.00 173.24 176.51 2br3 h SER 222 N 2.92 0.00 0.67 7.02 4.64 -1.94 -1.92 113.55 124.94 2br3 h SER 222 Ca -0.32 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.73 2br3 h SER 222 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2br3 h SER 222 CO 0.45 0.67 -1.26 1.56 -0.87 0.00 0.00 176.83 177.38 2br3 h GLN 223 N 0.00 0.20 0.00 4.77 4.20 -1.97 -3.26 115.11 119.04 2br3 h GLN 223 Ca -0.01 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2br3 h GLN 223 Cb 1.36 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.27 2br3 h GLN 223 CO 0.09 1.12 -0.56 1.28 -0.67 0.00 0.00 178.83 180.09 2br3 n LEU 224 N -3.46 0.56 -3.07 1.46 4.77 -1.23 -0.18 117.00 115.85 2br3 n LEU 224 Ca -0.08 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 2br3 n LEU 224 Cb 1.01 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.79 2br3 n LEU 224 CO 0.51 0.05 1.21 -0.67 -1.33 0.00 0.00 177.39 177.16 2br3 n ASP 225 N -1.76 0.56 -2.04 -1.43 2.03 -0.72 -0.85 116.55 112.34 2br3 n ASP 225 Ca 0.04 0.52 -0.18 0.00 0.52 0.00 0.00 54.79 55.69 2br3 n ASP 225 Cb 0.38 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 40.13 2br3 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br3 n ARG 226 N 5.17 -1.44 0.00 -0.67 1.74 0.13 -4.58 116.66 117.00 2br3 n ARG 226 Ca 0.38 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 58.35 2br3 n ARG 226 Cb -0.03 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.02 2br3 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br3 n GLY 227 N -1.01 -0.18 3.55 -0.13 0.00 -0.03 -4.92 105.19 102.48 2br3 n GLY 227 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2br3 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br3 s VAL 228 N -0.11 4.64 0.10 1.61 1.01 -1.24 -1.76 120.40 124.65 2br3 s VAL 228 Ca 0.00 0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.61 2br3 s VAL 228 Cb 0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2br3 s VAL 228 CO 0.00 -0.69 -0.25 -0.76 0.00 0.00 0.00 175.10 173.40 2br3 s LEU 229 N 3.31 2.26 0.07 3.92 1.43 -1.00 -1.53 118.68 127.15 2br3 s LEU 229 Ca 0.31 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2br3 s LEU 229 Cb -0.12 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2br3 s LEU 229 CO 0.22 0.18 0.09 0.00 0.23 0.00 0.00 176.35 177.07 2br3 s ARG 230 N -1.75 0.71 -0.23 1.70 1.70 -0.50 -0.53 118.95 120.05 2br3 s ARG 230 Ca 0.12 -1.03 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 2br3 s ARG 230 Cb -0.10 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 2br3 s ARG 230 CO 0.04 -0.19 1.12 0.50 -1.08 0.00 0.00 175.30 175.70 2br3 s ARG 231 N -3.68 4.20 0.01 3.89 6.06 -0.43 -1.64 118.95 127.35 2br3 s ARG 231 Ca 0.04 1.38 -0.13 0.00 -2.50 0.00 0.00 55.73 54.52 2br3 s ARG 231 Cb 0.05 -3.71 -0.06 0.00 0.06 0.00 0.00 34.95 31.30 2br3 s ARG 231 CO -0.10 -0.73 0.38 0.08 -2.50 0.00 0.00 175.30 172.44 2br3 s VAL 232 N 3.44 5.08 -0.14 7.11 1.01 -0.91 -1.89 120.40 134.11 2br3 s VAL 232 Ca 0.48 0.70 -0.40 0.00 0.00 0.00 0.00 61.98 62.76 2br3 s VAL 232 Cb -0.16 -3.67 -0.17 0.00 0.00 0.00 0.00 36.38 32.38 2br3 s VAL 232 CO 0.11 0.51 1.52 0.00 0.00 0.00 0.00 175.10 177.24 2br3 n ALA 233 N 1.62 -0.94 -1.89 5.51 0.00 -1.26 -4.70 120.51 118.84 2br3 n ALA 233 Ca -0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2br3 n ALA 233 Cb 0.53 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2br3 n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50