#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bk2 s ASP 8 N 0.00 5.82 -0.06 1.69 1.01 -1.26 -5.04 116.67 118.83 3bk2 s ASP 8 Ca 0.00 2.48 -0.26 0.00 0.71 0.00 0.00 52.55 55.48 3bk2 s ASP 8 Cb 0.00 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.37 3bk2 s ASP 8 CO 0.00 -1.17 0.58 -1.38 0.21 0.00 0.00 175.17 173.41 3bk2 s HIS 9 N -1.46 -0.54 -0.10 4.23 -3.43 -1.26 -4.70 115.29 108.03 3bk2 s HIS 9 Ca 0.67 0.96 -0.06 0.00 -0.80 0.00 0.00 55.06 55.82 3bk2 s HIS 9 Cb -0.33 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 3bk2 s HIS 9 CO 0.39 -0.52 0.15 0.08 -2.00 0.00 0.00 174.74 172.84 3bk2 s VAL 10 N -1.07 5.50 -0.17 -5.38 1.01 0.24 -4.45 120.40 116.08 3bk2 s VAL 10 Ca -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3bk2 s VAL 10 Cb -0.02 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3bk2 s VAL 10 CO 0.08 0.57 -0.07 -0.70 0.00 0.00 0.00 175.10 174.98 3bk2 s GLU 11 N -1.17 3.49 -0.18 2.72 2.12 0.52 -0.25 118.70 125.94 3bk2 s GLU 11 Ca 0.17 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.86 3bk2 s GLU 11 Cb -0.12 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 3bk2 s GLU 11 CO 0.06 0.10 -0.05 0.42 -0.54 0.00 0.00 175.26 175.25 3bk2 s ILE 12 N 0.71 3.51 -0.32 -3.70 1.01 0.04 -1.02 121.20 121.44 3bk2 s ILE 12 Ca -0.03 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3bk2 s ILE 12 Cb -0.15 -2.56 0.10 0.00 0.01 0.00 0.00 42.46 39.86 3bk2 s ILE 12 CO 0.02 0.46 0.10 -0.63 0.00 0.00 0.00 174.94 174.89 3bk2 s ILE 13 N 0.92 0.99 0.17 2.92 1.01 0.62 -0.84 121.20 126.99 3bk2 s ILE 13 Ca -0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 3bk2 s ILE 13 Cb -0.15 -1.75 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 3bk2 s ILE 13 CO 0.01 -0.68 1.07 -2.84 0.00 0.00 0.00 174.94 172.50 3bk2 s PRO 14 N 1.51 4.62 0.00 2.79 0.02 -1.25 -0.82 135.00 141.87 3bk2 s PRO 14 Ca 0.10 1.67 0.06 0.00 0.02 0.00 0.00 61.00 62.85 3bk2 s PRO 14 Cb -0.18 -3.30 -0.02 0.00 0.02 0.00 0.00 34.50 31.03 3bk2 s PRO 14 CO -0.23 0.10 0.41 1.28 -0.33 0.00 0.00 177.00 178.23 3bk2 n LEU 15 N 2.44 0.73 -3.61 -5.54 4.77 -0.77 0.86 117.00 115.89 3bk2 n LEU 15 Ca 0.03 -0.68 -0.06 0.00 -0.03 0.00 0.00 56.01 55.27 3bk2 n LEU 15 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3bk2 n LEU 15 CO 0.53 0.16 0.97 -0.83 -1.33 0.00 0.00 177.39 176.89 3bk2 s GLY 16 N -1.17 -0.13 0.00 -0.72 0.00 -1.15 -4.59 107.32 99.57 3bk2 s GLY 16 Ca 0.04 2.28 0.00 0.00 0.00 0.00 0.00 44.72 47.04 3bk2 s GLY 16 CO 0.18 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.85 3bk2 n GLY 17 N 0.48 0.89 0.00 0.20 0.00 -1.09 -2.46 105.19 103.22 3bk2 n GLY 17 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3bk2 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bk2 n GLY 19 N -0.18 0.00 3.78 -0.02 0.00 -0.94 -2.39 105.19 105.45 3bk2 n GLY 19 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3bk2 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3bk2 s GLU 20 N 0.00 1.48 -0.34 1.61 -1.05 -0.77 -4.35 118.70 115.28 3bk2 s GLU 20 Ca 0.00 -0.80 0.01 0.00 -0.15 0.00 0.00 54.97 54.03 3bk2 s GLU 20 Cb 0.00 0.51 0.09 0.00 -0.44 0.00 0.00 34.13 34.29 3bk2 s GLU 20 CO 0.00 -0.67 0.05 0.42 0.95 0.00 0.00 175.26 176.01 3bk2 s ILE 21 N -3.61 2.66 0.00 1.83 1.01 -1.26 -1.97 121.20 119.85 3bk2 s ILE 21 Ca 0.11 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.78 3bk2 s ILE 21 Cb -0.04 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.66 3bk2 s ILE 21 CO 0.03 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.15 3bk2 n GLY 22 N 4.44 3.34 3.93 6.18 0.00 -1.26 -4.89 105.19 116.93 3bk2 n GLY 22 Ca -0.04 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 3bk2 n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3bk2 n LYS 23 N -1.85 -0.72 -2.25 1.61 2.85 0.33 -2.65 118.16 115.48 3bk2 n LYS 23 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.85 3bk2 n LYS 23 Cb 0.00 -2.24 -0.03 0.00 -0.65 0.00 0.00 35.03 32.11 3bk2 n LYS 23 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3bk2 s ASN 24 N -3.98 6.93 -0.29 -5.58 0.01 -0.91 -3.05 114.94 108.05 3bk2 s ASN 24 Ca 0.16 2.32 -0.15 0.00 -0.71 0.00 0.00 52.86 54.48 3bk2 s ASN 24 Cb -0.09 -2.60 0.15 0.00 0.41 0.00 0.00 41.25 39.12 3bk2 s ASN 24 CO 0.75 -0.53 0.94 -0.51 -1.51 0.00 0.00 177.10 176.24 3bk2 s ILE 25 N 0.39 -0.25 -0.04 0.60 2.07 -1.03 -0.05 121.20 122.89 3bk2 s ILE 25 Ca 0.58 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.83 3bk2 s ILE 25 Cb -0.35 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.26 3bk2 s ILE 25 CO 0.35 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.45 3bk2 s THR 26 N 1.87 0.49 -0.17 4.00 2.01 -0.75 -1.84 115.64 121.25 3bk2 s THR 26 Ca -0.07 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 3bk2 s THR 26 Cb -0.05 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 3bk2 s THR 26 CO -0.16 0.21 0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 3bk2 s VAL 27 N 0.86 5.42 -0.02 3.82 1.01 0.00 -0.62 120.40 130.88 3bk2 s VAL 27 Ca -0.11 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.16 3bk2 s VAL 27 Cb -0.14 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 3bk2 s VAL 27 CO 0.00 0.49 -0.22 -0.36 0.00 0.00 0.00 175.10 175.01 3bk2 s PHE 28 N -0.04 2.46 -0.09 5.22 0.40 -0.70 -0.28 117.98 124.94 3bk2 s PHE 28 Ca 0.11 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 3bk2 s PHE 28 Cb -0.11 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 41.92 3bk2 s PHE 28 CO 0.00 0.07 0.28 0.50 0.70 0.00 0.00 175.22 176.77 3bk2 s ARG 29 N -0.79 0.36 -0.08 0.44 3.52 -0.19 -2.15 118.95 120.06 3bk2 s ARG 29 Ca 0.11 0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 56.02 3bk2 s ARG 29 Cb -0.10 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.49 3bk2 s ARG 29 CO 0.00 -0.05 -0.02 0.12 -0.81 0.00 0.00 175.30 174.54 3bk2 s PHE 30 N -0.02 0.87 0.00 5.12 5.36 -0.92 -0.36 117.98 128.03 3bk2 s PHE 30 Ca -0.02 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 55.65 3bk2 s PHE 30 Cb -0.02 -0.87 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 3bk2 s PHE 30 CO 0.01 -0.34 0.00 0.54 -1.46 0.00 0.00 175.22 173.96 3bk2 n ARG 31 N 4.90 0.00 -0.58 10.12 1.74 -1.26 -1.32 116.66 130.26 3bk2 n ARG 31 Ca -0.11 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.99 3bk2 n ARG 31 Cb 0.50 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.15 3bk2 n ARG 31 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3bk2 n ASP 32 N 8.42 2.86 -4.12 0.55 9.92 -1.26 -4.97 116.55 127.94 3bk2 n ASP 32 Ca 0.00 -3.45 -0.31 0.00 -0.53 0.00 0.00 54.79 50.50 3bk2 n ASP 32 Cb 0.00 -0.57 -0.17 0.00 -0.64 0.00 0.00 41.12 39.74 3bk2 n ASP 32 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3bk2 s GLU 33 N -3.07 2.67 0.09 -1.24 2.02 -0.44 -4.76 118.70 113.97 3bk2 s GLU 33 Ca 0.42 -0.73 0.09 0.00 0.02 0.00 0.00 54.97 54.77 3bk2 s GLU 33 Cb 0.37 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 3bk2 s GLU 33 CO 0.03 -0.02 -0.23 0.42 0.02 0.00 0.00 175.26 175.48 3bk2 s ILE 34 N 0.85 2.49 0.01 -1.63 1.01 -0.07 -2.17 121.20 121.71 3bk2 s ILE 34 Ca -0.08 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.09 3bk2 s ILE 34 Cb -0.15 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 3bk2 s ILE 34 CO -0.01 0.21 -0.03 0.72 0.00 0.00 0.00 174.94 175.83 3bk2 s PHE 35 N -0.99 0.23 -0.06 3.97 -0.71 -0.92 0.10 117.98 119.60 3bk2 s PHE 35 Ca 0.15 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 55.75 3bk2 s PHE 35 Cb -0.10 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 3bk2 s PHE 35 CO 0.06 -0.10 -0.13 0.08 -1.34 0.00 0.00 175.22 173.78 3bk2 s VAL 36 N -0.88 3.12 -0.42 -2.49 1.01 -0.87 -1.72 120.40 118.15 3bk2 s VAL 36 Ca -0.09 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3bk2 s VAL 36 Cb -0.06 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 34.16 3bk2 s VAL 36 CO -0.00 0.59 0.26 -0.22 0.00 0.00 0.00 175.10 175.73 3bk2 s LEU 37 N -0.65 5.14 0.32 3.92 2.96 0.21 -0.05 118.68 130.53 3bk2 s LEU 37 Ca 0.10 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 3bk2 s LEU 37 Cb -0.11 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.57 3bk2 s LEU 37 CO 0.01 -0.53 0.00 0.47 -1.32 0.00 0.00 176.35 174.98 3bk2 n ASP 38 N 4.95 -5.64 -2.73 3.68 8.00 0.85 -1.81 116.55 123.85 3bk2 n ASP 38 Ca -0.10 0.67 -0.07 0.00 0.71 0.00 0.00 54.79 56.00 3bk2 n ASP 38 Cb 0.43 -3.03 0.05 0.00 -0.02 0.00 0.00 41.12 38.55 3bk2 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bk2 n GLY 39 N -3.67 -0.46 3.97 0.44 0.00 0.53 -4.37 105.19 101.63 3bk2 n GLY 39 Ca -0.02 0.40 -0.26 0.00 0.00 0.00 0.00 46.02 46.13 3bk2 n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bk2 s GLY 40 N -1.02 1.78 0.48 -0.02 0.00 0.93 -1.35 107.32 108.11 3bk2 s GLY 40 Ca 0.30 -1.62 0.04 0.00 0.00 0.00 0.00 44.72 43.44 3bk2 s GLY 40 CO -0.19 -0.92 0.08 0.48 0.00 0.00 0.00 173.10 172.55 3bk2 s LEU 41 N -5.50 2.59 -0.00 0.66 0.05 -0.70 -3.80 118.68 111.98 3bk2 s LEU 41 Ca 0.71 -1.46 0.04 0.00 0.05 0.00 0.00 54.13 53.47 3bk2 s LEU 41 Cb -0.04 -0.92 -0.01 0.00 -2.05 0.00 0.00 46.19 43.17 3bk2 s LEU 41 CO 0.49 -0.75 -0.12 0.00 -0.55 0.00 0.00 176.35 175.42 3bk2 s ALA 42 N -2.79 1.00 0.45 1.48 0.00 0.14 -0.51 121.76 121.53 3bk2 s ALA 42 Ca 0.21 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 3bk2 s ALA 42 Cb 0.03 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.83 3bk2 s ALA 42 CO 0.11 0.23 0.92 -0.06 0.00 0.00 0.00 175.76 176.97 3bk2 s PHE 43 N -0.38 3.39 0.45 0.00 0.08 -1.26 -0.59 117.98 119.67 3bk2 s PHE 43 Ca 0.04 1.46 -0.15 0.00 0.12 0.00 0.00 56.93 58.40 3bk2 s PHE 43 Cb -0.05 -2.75 -0.08 0.00 -0.57 0.00 0.00 43.02 39.56 3bk2 s PHE 43 CO -0.00 -0.19 0.89 -1.25 -0.10 0.00 0.00 175.22 174.57 3bk2 s PRO 44 N -3.57 3.94 0.47 0.24 0.05 -1.26 -4.85 135.00 130.02 3bk2 s PRO 44 Ca 0.59 0.80 -0.11 0.00 0.05 0.00 0.00 61.00 62.32 3bk2 s PRO 44 Cb -0.10 -2.25 -0.06 0.00 0.05 0.00 0.00 34.50 32.14 3bk2 s PRO 44 CO 0.22 -0.12 0.86 -1.21 0.05 0.00 0.00 177.00 176.81 3bk2 s GLU 45 N -3.76 3.76 0.92 4.56 2.02 -1.26 -4.99 118.70 119.95 3bk2 s GLU 45 Ca 0.56 0.59 -0.11 0.00 0.02 0.00 0.00 54.97 56.03 3bk2 s GLU 45 Cb -0.10 -2.28 0.14 0.00 0.10 0.00 0.00 34.13 31.99 3bk2 s GLU 45 CO 0.27 -0.19 1.09 -1.21 0.02 0.00 0.00 175.26 175.24 3bk2 s GLU 46 N -4.22 1.04 0.00 1.61 0.41 -1.26 -4.63 118.70 111.65 3bk2 s GLU 46 Ca 0.53 1.05 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 3bk2 s GLU 46 Cb -0.10 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 3bk2 s GLU 46 CO 0.36 -2.45 0.00 0.41 -0.49 0.00 0.00 175.26 173.09 3bk2 n GLY 47 N -0.55 0.67 0.00 -1.39 0.00 -1.26 -5.04 105.19 97.62 3bk2 n GLY 47 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3bk2 n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bk2 n PRO 49 N -0.42 0.00 0.00 1.61 -0.02 -1.26 -5.13 135.00 129.78 3bk2 n PRO 49 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3bk2 n PRO 49 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 3bk2 n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bk2 n GLY 50 N -0.77 2.08 3.69 -1.23 0.00 -1.26 -4.99 105.19 102.71 3bk2 n GLY 50 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3bk2 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bk2 s VAL 51 N -0.32 3.60 -0.14 1.61 1.01 -1.26 -4.58 120.40 120.32 3bk2 s VAL 51 Ca 0.00 1.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.91 3bk2 s VAL 51 Cb 0.00 -3.67 -0.25 0.00 0.00 0.00 0.00 36.38 32.47 3bk2 s VAL 51 CO 0.00 0.02 0.34 0.47 0.00 0.00 0.00 175.10 175.93 3bk2 n ASP 52 N 5.05 2.07 -3.49 3.32 8.00 0.26 -4.81 116.55 126.94 3bk2 n ASP 52 Ca 0.13 0.27 -0.11 0.00 0.71 0.00 0.00 54.79 55.78 3bk2 n ASP 52 Cb 0.43 -0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 40.60 3bk2 n ASP 52 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3bk2 s LEU 53 N -7.26 -0.26 0.00 0.64 0.05 -0.77 -4.48 118.68 106.61 3bk2 s LEU 53 Ca -0.24 -0.11 0.07 0.00 0.05 0.00 0.00 54.13 53.90 3bk2 s LEU 53 Cb 0.06 2.36 -0.03 0.00 -2.05 0.00 0.00 46.19 46.54 3bk2 s LEU 53 CO 0.73 -0.94 -0.20 -0.76 -0.55 0.00 0.00 176.35 174.63 3bk2 s LEU 54 N -2.77 2.46 0.09 1.48 1.43 0.25 -1.04 118.68 120.57 3bk2 s LEU 54 Ca 0.02 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 3bk2 s LEU 54 Cb -0.00 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3bk2 s LEU 54 CO -0.12 0.30 -0.15 0.27 0.23 0.00 0.00 176.35 176.87 3bk2 s ILE 55 N -0.78 1.27 0.45 -0.59 -4.36 -0.75 -0.68 121.20 115.75 3bk2 s ILE 55 Ca 0.12 -1.44 -0.22 0.00 -0.26 0.00 0.00 60.65 58.85 3bk2 s ILE 55 Cb -0.10 -1.26 -0.08 0.00 1.25 0.00 0.00 42.46 42.27 3bk2 s ILE 55 CO 0.02 -0.24 1.06 -2.16 0.24 0.00 0.00 174.94 173.86 3bk2 s PRO 56 N -1.97 3.94 0.02 0.37 0.05 -1.26 -0.76 135.00 135.38 3bk2 s PRO 56 Ca 0.02 1.49 -0.30 0.00 0.05 0.00 0.00 61.00 62.25 3bk2 s PRO 56 Cb -0.09 -2.32 -0.04 0.00 0.05 0.00 0.00 34.50 32.10 3bk2 s PRO 56 CO 0.03 -0.34 1.08 1.03 0.05 0.00 0.00 177.00 178.85 3bk2 s ARG 57 N -2.85 4.49 -0.35 4.56 0.52 -0.26 -4.79 118.95 120.28 3bk2 s ARG 57 Ca 0.63 1.58 0.06 0.00 -0.52 0.00 0.00 55.73 57.48 3bk2 s ARG 57 Cb -0.21 -3.41 0.46 0.00 0.52 0.00 0.00 34.95 32.31 3bk2 s ARG 57 CO 0.25 -0.16 1.38 1.33 0.02 0.00 0.00 175.30 178.13 3bk2 n VAL 58 N 3.94 2.71 -0.29 3.52 0.24 -1.26 -4.56 118.33 122.62 3bk2 n VAL 58 Ca 0.07 -3.72 0.09 0.00 -2.04 0.00 0.00 64.34 58.74 3bk2 n VAL 58 Cb 0.49 -0.96 0.24 0.00 -1.47 0.00 0.00 33.84 32.14 3bk2 n VAL 58 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3bk2 h ASP 59 N 1.90 0.37 -0.87 -1.34 5.19 -1.92 -0.86 116.42 118.88 3bk2 h ASP 59 Ca 0.36 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.89 3bk2 h ASP 59 Cb 1.39 0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.94 3bk2 h ASP 59 CO 0.80 0.10 0.52 0.22 -3.12 0.00 0.00 179.24 177.75 3bk2 h TYR 60 N 0.48 1.15 0.00 4.55 5.03 -1.87 -1.70 116.97 124.61 3bk2 h TYR 60 Ca 0.48 -0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.62 3bk2 h TYR 60 Cb 0.80 -0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 3bk2 h TYR 60 CO -0.14 0.77 -0.83 -0.07 -1.32 0.00 0.00 178.16 176.57 3bk2 h LEU 61 N 1.20 0.00 -0.33 2.82 3.38 -1.58 -2.14 115.31 118.66 3bk2 h LEU 61 Ca 0.31 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 3bk2 h LEU 61 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bk2 h LEU 61 CO -0.06 0.83 -0.14 0.40 0.09 0.00 0.00 178.44 179.56 3bk2 h ILE 62 N 0.00 1.29 -0.62 1.22 2.04 -0.95 0.29 117.51 120.77 3bk2 h ILE 62 Ca -0.01 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.54 3bk2 h ILE 62 Cb 1.55 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 3bk2 h ILE 62 CO 0.11 0.40 0.08 -0.08 0.00 0.00 0.00 178.15 178.66 3bk2 h GLU 63 N 0.45 1.04 -0.53 2.37 4.81 -1.31 -3.04 114.58 118.36 3bk2 h GLU 63 Ca 0.08 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 3bk2 h GLU 63 Cb 0.66 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 3bk2 h GLU 63 CO 0.04 0.98 0.09 0.72 -0.73 0.00 0.00 179.01 180.12 3bk2 n HIS 64 N -4.25 1.83 -0.30 0.92 8.25 -0.81 -4.75 115.22 116.11 3bk2 n HIS 64 Ca 0.03 -1.00 0.14 0.00 -0.26 0.00 0.00 57.72 56.63 3bk2 n HIS 64 Cb 0.30 -0.52 0.31 0.00 1.12 0.00 0.00 29.99 31.19 3bk2 n HIS 64 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3bk2 h ARG 65 N 2.69 0.25 0.00 -0.41 0.11 -0.30 0.23 114.38 116.94 3bk2 h ARG 65 Ca 0.11 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3bk2 h ARG 65 Cb 1.94 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.96 3bk2 h ARG 65 CO 0.50 0.17 0.00 1.58 0.10 0.00 0.00 179.97 182.31 3bk2 n HIS 66 N -5.17 0.48 0.56 4.08 -0.00 -1.26 -2.28 115.22 111.62 3bk2 n HIS 66 Ca 0.22 0.19 0.12 0.00 0.46 0.00 0.00 57.72 58.72 3bk2 n HIS 66 Cb 0.70 -0.81 0.20 0.00 -0.12 0.00 0.00 29.99 29.95 3bk2 n HIS 66 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3bk2 h LYS 67 N 0.00 0.00 -6.24 1.57 1.57 -0.84 -3.46 116.57 109.17 3bk2 h LYS 67 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3bk2 h LYS 67 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3bk2 h LYS 67 CO 0.00 0.00 1.03 0.42 -0.57 0.00 0.00 179.45 180.33 3bk2 s ILE 68 N -3.17 3.90 -0.40 1.86 1.01 -0.96 -0.89 121.20 122.55 3bk2 s ILE 68 Ca 0.07 1.06 0.23 0.00 0.00 0.00 0.00 60.65 62.00 3bk2 s ILE 68 Cb 0.13 -3.78 -0.12 0.00 0.01 0.00 0.00 42.46 38.70 3bk2 s ILE 68 CO 0.71 -0.20 0.93 0.29 0.00 0.00 0.00 174.94 176.67 3bk2 n LYS 69 N 7.14 0.45 -3.58 2.79 4.76 0.28 -4.91 118.16 125.09 3bk2 n LYS 69 Ca 0.16 -0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.55 3bk2 n LYS 69 Cb 0.45 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 3bk2 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bk2 s ALA 70 N -3.30 -2.04 -0.12 7.82 0.00 -1.24 -4.17 121.76 118.71 3bk2 s ALA 70 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3bk2 s ALA 70 Cb 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3bk2 s ALA 70 CO 0.82 -0.61 -0.15 -0.46 0.00 0.00 0.00 175.76 175.36 3bk2 s TRP 71 N -2.51 2.02 -0.17 0.00 -0.11 0.75 -2.05 118.94 116.88 3bk2 s TRP 71 Ca 0.09 -0.99 -0.02 0.00 1.22 0.00 0.00 56.10 56.40 3bk2 s TRP 71 Cb -0.01 -1.46 -0.01 0.00 -1.50 0.00 0.00 33.47 30.48 3bk2 s TRP 71 CO -0.05 -0.51 -0.08 0.08 -4.62 0.00 0.00 176.95 171.77 3bk2 s VAL 72 N 1.06 3.34 -0.20 5.86 1.01 0.93 -0.01 120.40 132.39 3bk2 s VAL 72 Ca -0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3bk2 s VAL 72 Cb -0.15 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3bk2 s VAL 72 CO -0.03 0.48 -0.04 -0.76 0.00 0.00 0.00 175.10 174.75 3bk2 s LEU 73 N 0.80 3.01 0.14 3.92 1.43 -0.19 -0.10 118.68 127.70 3bk2 s LEU 73 Ca -0.03 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3bk2 s LEU 73 Cb -0.15 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 3bk2 s LEU 73 CO 0.01 0.04 1.32 0.71 0.23 0.00 0.00 176.35 178.67 3bk2 h THR 74 N 5.53 1.56 -1.79 5.49 1.35 -1.87 -3.40 112.91 119.78 3bk2 h THR 74 Ca -0.37 -2.91 0.26 0.00 -0.55 0.00 0.00 66.41 62.84 3bk2 h THR 74 Cb 1.17 2.64 -0.12 0.00 -1.73 0.00 0.00 68.15 70.12 3bk2 h THR 74 CO 0.60 0.84 0.69 -1.38 -0.25 0.00 0.00 175.52 176.03 3bk2 s HIS 75 N -2.99 -0.10 -1.43 4.73 -3.43 -1.26 -1.29 115.29 109.53 3bk2 s HIS 75 Ca -0.02 -0.06 0.03 0.00 -0.80 0.00 0.00 55.06 54.20 3bk2 s HIS 75 Cb 0.10 0.57 0.11 0.00 -1.43 0.00 0.00 32.58 31.93 3bk2 s HIS 75 CO 0.83 -0.46 0.88 0.41 -2.00 0.00 0.00 174.74 174.40 3bk2 n GLY 76 N -0.43 0.65 3.77 -1.38 0.00 -1.26 -4.49 105.19 102.05 3bk2 n GLY 76 Ca -0.07 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3bk2 n GLY 76 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bk2 s HIS 77 N -1.55 3.06 0.45 1.61 3.76 -1.26 -4.81 115.29 116.55 3bk2 s HIS 77 Ca 0.08 1.52 0.20 0.00 -0.15 0.00 0.00 55.06 56.71 3bk2 s HIS 77 Cb 0.05 -3.47 1.16 0.00 1.11 0.00 0.00 32.58 31.43 3bk2 s HIS 77 CO 0.04 -1.47 1.90 0.93 -0.85 0.00 0.00 174.74 175.29 3bk2 h GLU 78 N 2.83 0.30 -0.80 1.40 3.07 -1.94 0.26 114.58 119.70 3bk2 h GLU 78 Ca -0.49 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 3bk2 h GLU 78 Cb 1.23 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3bk2 h GLU 78 CO 0.63 0.20 0.00 -0.40 -1.40 0.00 0.00 179.01 178.04 3bk2 n ASP 79 N -4.45 1.16 0.00 1.42 5.75 -1.26 -0.32 116.55 118.85 3bk2 n ASP 79 Ca 0.16 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 3bk2 n ASP 79 Cb 0.66 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3bk2 n ASP 79 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3bk2 n HIS 80 N -0.03 0.00 -0.36 2.11 8.25 0.85 -2.15 115.22 123.90 3bk2 n HIS 80 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3bk2 n HIS 80 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3bk2 n HIS 80 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bk2 n ILE 81 N -0.77 0.00 0.29 1.59 -5.35 -0.81 -0.35 119.36 113.96 3bk2 n ILE 81 Ca 0.00 -0.15 0.17 0.00 -0.27 0.00 0.00 62.75 62.49 3bk2 n ILE 81 Cb 0.09 1.36 0.89 0.00 -1.74 0.00 0.00 39.64 40.25 3bk2 n ILE 81 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3bk2 h GLY 82 N 0.00 0.00 1.14 3.28 0.00 -0.74 -2.91 103.07 103.83 3bk2 h GLY 82 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3bk2 h GLY 82 CO 0.00 0.00 -0.89 -1.33 0.00 0.00 0.00 176.54 174.32 3bk2 h GLY 83 N 0.70 0.00 -0.32 4.60 0.00 -1.31 -3.40 103.07 103.34 3bk2 h GLY 83 Ca -0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.57 3bk2 h GLY 83 CO 0.01 0.00 0.37 1.41 0.00 0.00 0.00 176.54 178.33 3bk2 h LEU 84 N 0.00 0.26 -2.63 3.11 3.38 -1.30 0.23 115.31 118.36 3bk2 h LEU 84 Ca -0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3bk2 h LEU 84 Cb 1.04 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3bk2 h LEU 84 CO 0.00 -0.06 0.00 -0.65 0.09 0.00 0.00 178.44 177.82 3bk2 h PRO 85 N 0.33 0.00 0.00 1.13 0.11 -1.79 -1.04 132.00 130.75 3bk2 h PRO 85 Ca 0.58 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 66.30 3bk2 h PRO 85 Cb 1.16 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3bk2 h PRO 85 CO -0.58 0.00 -2.37 1.19 -0.21 0.00 0.00 178.00 176.03 3bk2 n PHE 86 N -2.91 0.00 -0.14 0.65 3.72 0.43 -4.55 117.46 114.66 3bk2 n PHE 86 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 3bk2 n PHE 86 Cb 0.07 -0.90 -0.01 0.00 -0.94 0.00 0.00 39.48 37.71 3bk2 n PHE 86 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3bk2 h LEU 87 N -0.57 0.59 0.12 4.37 3.38 -0.47 -3.27 115.31 119.46 3bk2 h LEU 87 Ca -0.59 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.20 3bk2 h LEU 87 Cb 1.65 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 3bk2 h LEU 87 CO -0.27 0.62 -0.20 -0.07 0.09 0.00 0.00 178.44 178.61 3bk2 h LEU 88 N 0.53 -0.55 -2.41 1.67 3.38 -1.44 -1.74 115.31 114.75 3bk2 h LEU 88 Ca 0.14 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3bk2 h LEU 88 Cb 0.23 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3bk2 h LEU 88 CO -0.01 -0.28 0.00 -2.65 0.09 0.00 0.00 178.44 175.59 3bk2 n PRO 89 N -5.32 0.00 0.00 1.13 -0.02 -1.24 -0.48 135.00 129.07 3bk2 n PRO 89 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3bk2 n PRO 89 Cb 0.24 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3bk2 n PRO 89 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3bk2 n ILE 91 N 1.10 0.00 0.15 4.25 5.41 -0.65 -1.37 119.36 128.24 3bk2 n ILE 91 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 3bk2 n ILE 91 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 3bk2 n ILE 91 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3bk2 n PHE 92 N 0.00 0.00 0.00 1.39 3.72 0.37 -4.87 117.46 118.07 3bk2 n PHE 92 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3bk2 n PHE 92 Cb 0.00 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3bk2 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bk2 n GLY 93 N 1.67 -1.02 0.34 1.37 0.00 -0.47 -4.40 105.19 102.67 3bk2 n GLY 93 Ca -0.01 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.13 3bk2 n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bk2 n LYS 94 N 0.00 1.43 -3.47 1.61 5.02 -1.26 -3.73 118.16 117.76 3bk2 n LYS 94 Ca 0.00 -0.66 -0.12 0.00 -2.02 0.00 0.00 58.31 55.51 3bk2 n LYS 94 Cb 0.00 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3bk2 n LYS 94 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3bk2 s GLU 95 N -1.81 1.08 -0.17 1.97 -1.05 -1.26 -4.81 118.70 112.66 3bk2 s GLU 95 Ca 0.21 -0.26 -0.29 0.00 -0.15 0.00 0.00 54.97 54.47 3bk2 s GLU 95 Cb 0.11 0.50 0.12 0.00 -0.44 0.00 0.00 34.13 34.42 3bk2 s GLU 95 CO 0.16 -0.45 0.95 0.45 0.95 0.00 0.00 175.26 177.33 3bk2 s SER 96 N -2.31 -0.43 0.01 0.83 0.15 -0.67 -4.85 113.70 106.43 3bk2 s SER 96 Ca -0.00 0.54 0.24 0.00 0.70 0.00 0.00 55.95 57.42 3bk2 s SER 96 Cb -0.01 0.44 0.31 0.00 -1.71 0.00 0.00 66.02 65.05 3bk2 s SER 96 CO -0.07 -0.35 1.27 -2.65 1.20 0.00 0.00 173.24 172.64 3bk2 n PRO 97 N 1.02 0.06 -1.70 5.44 -0.02 -1.26 -3.31 135.00 135.23 3bk2 n PRO 97 Ca -0.12 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 60.93 3bk2 n PRO 97 Cb 0.57 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 3bk2 n PRO 97 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bk2 n VAL 98 N -1.60 0.14 -1.94 -1.45 0.31 -1.26 -4.75 118.33 107.78 3bk2 n VAL 98 Ca 0.05 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 3bk2 n VAL 98 Cb 0.35 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 3bk2 n VAL 98 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3bk2 s PRO 99 N 1.74 4.21 -0.38 5.55 0.02 -1.26 -4.09 135.00 140.79 3bk2 s PRO 99 Ca 0.79 2.34 0.01 0.00 0.02 0.00 0.00 61.00 64.15 3bk2 s PRO 99 Cb -0.55 -3.39 0.11 0.00 0.02 0.00 0.00 34.50 30.68 3bk2 s PRO 99 CO 0.36 -0.67 0.13 0.42 -0.33 0.00 0.00 177.00 176.92 3bk2 s ILE 100 N 1.93 2.77 0.16 2.83 1.01 -0.10 -0.18 121.20 129.62 3bk2 s ILE 100 Ca 0.72 -2.27 -0.18 0.00 0.00 0.00 0.00 60.65 58.92 3bk2 s ILE 100 Cb -0.41 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 3bk2 s ILE 100 CO 0.32 -0.65 0.63 -0.31 0.00 0.00 0.00 174.94 174.92 3bk2 s TYR 101 N 0.94 3.68 -0.17 3.97 1.51 0.98 -0.15 117.35 128.11 3bk2 s TYR 101 Ca 0.10 1.26 -0.33 0.00 -1.01 0.00 0.00 57.07 57.09 3bk2 s TYR 101 Cb -0.21 -2.51 0.14 0.00 -0.11 0.00 0.00 41.96 39.27 3bk2 s TYR 101 CO -0.06 0.44 1.15 0.20 -1.11 0.00 0.00 175.55 176.17 3bk2 s GLY 102 N -1.53 -0.25 0.97 0.71 0.00 -0.92 -1.02 107.32 105.28 3bk2 s GLY 102 Ca 0.37 1.78 -0.12 0.00 0.00 0.00 0.00 44.72 46.76 3bk2 s GLY 102 CO 0.20 0.68 1.09 0.00 0.00 0.00 0.00 173.10 175.07 3bk2 s ALA 103 N -2.08 1.11 0.15 3.20 0.00 -1.25 -1.08 121.76 121.80 3bk2 s ALA 103 Ca 0.07 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.56 3bk2 s ALA 103 Cb -0.01 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3bk2 s ALA 103 CO -0.05 -2.71 1.61 -0.09 0.00 0.00 0.00 175.76 174.52 3bk2 h ARG 104 N -1.80 -0.32 -0.51 0.00 2.43 -1.94 -0.18 114.38 112.06 3bk2 h ARG 104 Ca -0.53 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 3bk2 h ARG 104 Cb 1.31 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 3bk2 h ARG 104 CO 0.56 -0.21 0.08 1.25 -1.51 0.00 0.00 179.97 180.14 3bk2 h LEU 105 N -0.33 0.81 -0.35 3.80 5.85 -1.92 -0.24 115.31 122.93 3bk2 h LEU 105 Ca 0.13 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3bk2 h LEU 105 Cb 0.54 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3bk2 h LEU 105 CO -0.43 0.87 0.03 0.74 -0.34 0.00 0.00 178.44 179.31 3bk2 h THR 106 N 0.72 0.78 -0.05 1.05 2.02 -1.75 -0.41 112.91 115.27 3bk2 h THR 106 Ca 0.15 -0.05 -0.16 0.00 0.77 0.00 0.00 66.41 67.12 3bk2 h THR 106 Cb 0.41 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3bk2 h THR 106 CO 0.01 0.03 -0.68 -0.07 0.37 0.00 0.00 175.52 175.18 3bk2 h LEU 107 N 0.14 0.28 -0.37 2.58 3.38 -0.93 -1.51 115.31 118.88 3bk2 h LEU 107 Ca 0.17 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3bk2 h LEU 107 Cb 0.22 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3bk2 h LEU 107 CO -0.25 0.88 0.22 1.23 0.09 0.00 0.00 178.44 180.60 3bk2 h GLY 108 N 1.56 0.51 1.02 0.83 0.00 -0.34 0.21 103.07 106.85 3bk2 h GLY 108 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 3bk2 h GLY 108 CO 0.11 0.14 -0.11 1.41 0.00 0.00 0.00 176.54 178.09 3bk2 h LEU 109 N 0.44 0.86 -0.07 3.11 3.38 -1.02 -2.35 115.31 119.66 3bk2 h LEU 109 Ca 0.14 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3bk2 h LEU 109 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3bk2 h LEU 109 CO -0.07 1.02 -0.03 0.25 0.09 0.00 0.00 178.44 179.71 3bk2 h LEU 110 N 0.68 -0.10 -1.26 1.67 5.85 -0.82 -1.62 115.31 119.71 3bk2 h LEU 110 Ca 0.11 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.95 3bk2 h LEU 110 Cb 0.65 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 3bk2 h LEU 110 CO 0.04 -0.04 0.55 0.03 -0.34 0.00 0.00 178.44 178.69 3bk2 h ARG 111 N -0.02 0.80 -0.72 1.25 3.08 -0.55 -0.25 114.38 117.97 3bk2 h ARG 111 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3bk2 h ARG 111 Cb 0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3bk2 h ARG 111 CO -0.08 0.53 0.43 0.78 -1.07 0.00 0.00 179.97 180.56 3bk2 h GLY 112 N 0.82 1.05 0.71 0.04 0.00 -0.79 -1.54 103.07 103.36 3bk2 h GLY 112 Ca 0.40 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3bk2 h GLY 112 CO -0.16 0.43 -0.02 0.50 0.00 0.00 0.00 176.54 177.29 3bk2 h LYS 113 N 0.98 0.16 -0.65 4.80 1.57 -0.26 -3.18 116.57 119.99 3bk2 h LYS 113 Ca 0.26 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 3bk2 h LYS 113 Cb -0.03 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 3bk2 h LYS 113 CO -0.05 0.48 0.32 -0.07 -0.57 0.00 0.00 179.45 179.55 3bk2 h LEU 114 N -0.17 0.41 -0.51 2.94 3.38 -0.96 -2.00 115.31 118.41 3bk2 h LEU 114 Ca 0.02 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3bk2 h LEU 114 Cb 0.41 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 3bk2 h LEU 114 CO 0.01 0.25 -0.35 -0.33 0.09 0.00 0.00 178.44 178.10 3bk2 h GLU 115 N 0.56 -0.21 0.00 1.13 5.08 -1.27 0.12 114.58 120.00 3bk2 h GLU 115 Ca 0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3bk2 h GLU 115 Cb 0.31 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3bk2 h GLU 115 CO -0.25 -0.14 0.31 0.93 -1.00 0.00 0.00 179.01 178.87 3bk2 h GLU 116 N -0.22 0.00 -0.49 2.33 5.08 -1.35 0.13 114.58 120.06 3bk2 h GLU 116 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3bk2 h GLU 116 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3bk2 h GLU 116 CO -0.62 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.58 3bk2 n PHE 117 N -2.83 1.23 -0.98 4.33 3.01 0.36 -4.91 117.46 117.68 3bk2 n PHE 117 Ca -0.02 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.77 3bk2 n PHE 117 Cb 0.36 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3bk2 n PHE 117 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bk2 n GLY 118 N 0.57 0.25 3.61 1.37 0.00 0.44 -4.93 105.19 106.50 3bk2 n GLY 118 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3bk2 n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bk2 s LEU 119 N 0.00 3.73 0.99 0.99 2.01 -0.82 -4.98 118.68 120.59 3bk2 s LEU 119 Ca 0.00 0.95 -0.16 0.00 0.01 0.00 0.00 54.13 54.94 3bk2 s LEU 119 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 46.19 42.63 3bk2 s LEU 119 CO 0.00 -1.25 -0.16 -2.11 1.01 0.00 0.00 176.35 173.84 3bk2 n ARG 120 N 7.69 -0.32 0.00 1.70 1.85 -1.26 -4.07 116.66 122.25 3bk2 n ARG 120 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 3bk2 n ARG 120 Cb 0.47 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 3bk2 n ARG 120 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3bk2 n PRO 121 N -0.09 0.00 0.00 2.89 -0.02 -1.26 -3.11 135.00 133.40 3bk2 n PRO 121 Ca 0.03 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3bk2 n PRO 121 Cb 0.57 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 3bk2 n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bk2 n GLY 122 N -0.60 0.17 0.31 -1.23 0.00 -1.26 -3.39 105.19 99.18 3bk2 n GLY 122 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3bk2 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bk2 h ALA 123 N 2.17 1.79 -2.21 4.61 0.00 -1.87 -3.41 119.26 120.33 3bk2 h ALA 123 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 3bk2 h ALA 123 Cb 0.19 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.84 3bk2 h ALA 123 CO 0.00 -0.13 -0.73 -0.06 0.00 0.00 0.00 179.25 178.33 3bk2 s PHE 124 N -4.77 1.77 -1.13 0.00 0.08 -1.22 -1.68 117.98 111.03 3bk2 s PHE 124 Ca -0.05 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.35 3bk2 s PHE 124 Cb 0.16 -0.83 0.26 0.00 -0.57 0.00 0.00 43.02 42.05 3bk2 s PHE 124 CO 0.59 0.38 1.31 -1.71 -0.10 0.00 0.00 175.22 175.69 3bk2 n ASN 125 N -0.41 5.70 -4.68 1.36 5.15 -1.21 -4.99 115.26 116.19 3bk2 n ASN 125 Ca -0.08 -3.14 -0.43 0.00 -0.60 0.00 0.00 54.58 50.34 3bk2 n ASN 125 Cb 0.60 -1.39 -0.02 0.00 -0.53 0.00 0.00 39.78 38.45 3bk2 n ASN 125 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3bk2 s LEU 126 N -1.21 4.20 -0.32 1.20 1.43 -1.26 -0.92 118.68 121.80 3bk2 s LEU 126 Ca 0.33 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3bk2 s LEU 126 Cb -0.04 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.69 3bk2 s LEU 126 CO -0.01 -0.58 0.04 -0.54 0.23 0.00 0.00 176.35 175.48 3bk2 s LYS 127 N 2.61 2.43 -0.01 1.70 1.02 0.79 -4.90 119.74 123.38 3bk2 s LYS 127 Ca 0.49 -1.30 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 3bk2 s LYS 127 Cb -0.19 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3bk2 s LYS 127 CO 0.15 -0.67 1.26 -2.00 -0.92 0.00 0.00 175.35 173.17 3bk2 s GLU 128 N 1.27 4.35 0.34 1.68 2.12 -1.26 -2.17 118.70 125.03 3bk2 s GLU 128 Ca -0.03 1.78 0.03 0.00 0.36 0.00 0.00 54.97 57.11 3bk2 s GLU 128 Cb -0.20 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 3bk2 s GLU 128 CO -0.01 -0.44 0.10 0.96 -0.54 0.00 0.00 175.26 175.34 3bk2 s ILE 129 N 1.98 0.78 0.28 -3.70 -4.36 -0.24 -4.93 121.20 111.01 3bk2 s ILE 129 Ca 0.59 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.80 3bk2 s ILE 129 Cb -0.28 -2.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.76 3bk2 s ILE 129 CO 0.25 0.00 0.74 -0.55 0.24 0.00 0.00 174.94 175.62 3bk2 s SER 130 N -3.48 6.92 0.24 4.36 0.15 -1.26 -3.93 113.70 116.69 3bk2 s SER 130 Ca 0.32 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.50 3bk2 s SER 130 Cb 0.06 -2.40 0.88 0.00 -1.71 0.00 0.00 66.02 62.85 3bk2 s SER 130 CO 0.15 -0.09 1.51 -2.65 1.20 0.00 0.00 173.24 173.36 3bk2 n PRO 131 N 0.16 0.11 -0.22 5.44 -0.02 -1.26 -1.21 135.00 138.00 3bk2 n PRO 131 Ca 0.01 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 3bk2 n PRO 131 Cb 0.52 -1.84 0.18 0.00 -0.02 0.00 0.00 33.50 32.34 3bk2 n PRO 131 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3bk2 n ASP 132 N -2.07 2.96 -4.57 2.55 8.00 -1.26 -2.47 116.55 119.69 3bk2 n ASP 132 Ca -0.01 -2.88 -0.29 0.00 0.71 0.00 0.00 54.79 52.32 3bk2 n ASP 132 Cb 0.05 -0.42 0.18 0.00 -0.02 0.00 0.00 41.12 40.90 3bk2 n ASP 132 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bk2 s ASP 133 N -2.20 2.54 -0.09 -2.24 -1.08 -0.35 -4.60 116.67 108.65 3bk2 s ASP 133 Ca 0.32 1.02 0.01 0.00 -0.52 0.00 0.00 52.55 53.38 3bk2 s ASP 133 Cb 0.27 -1.59 0.02 0.00 -1.46 0.00 0.00 42.92 40.15 3bk2 s ASP 133 CO 0.06 -3.16 -0.11 -0.60 0.52 0.00 0.00 175.17 171.87 3bk2 s ARG 134 N -5.12 1.77 0.04 4.34 3.52 -1.26 -0.39 118.95 121.85 3bk2 s ARG 134 Ca 0.66 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.91 3bk2 s ARG 134 Cb -0.16 -1.59 -0.02 0.00 -1.56 0.00 0.00 34.95 31.62 3bk2 s ARG 134 CO 0.56 -0.10 -0.14 0.96 -0.81 0.00 0.00 175.30 175.78 3bk2 s ILE 135 N 1.10 1.07 -0.22 4.11 -4.36 0.37 -4.98 121.20 118.29 3bk2 s ILE 135 Ca -0.06 -1.03 -0.10 0.00 -0.26 0.00 0.00 60.65 59.21 3bk2 s ILE 135 Cb -0.14 -0.99 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 3bk2 s ILE 135 CO -0.02 -0.04 0.13 -1.58 0.24 0.00 0.00 174.94 173.67 3bk2 s GLN 136 N -1.22 4.06 -0.35 0.37 2.00 -1.26 -0.16 119.66 123.10 3bk2 s GLN 136 Ca 0.01 -0.28 -0.02 0.00 -2.00 0.00 0.00 55.36 53.07 3bk2 s GLN 136 Cb -0.08 -3.45 0.08 0.00 0.80 0.00 0.00 33.01 30.36 3bk2 s GLN 136 CO 0.01 0.13 0.09 0.08 -0.50 0.00 0.00 175.29 175.11 3bk2 s VAL 137 N 0.83 3.03 0.00 1.34 1.01 0.16 -5.00 120.40 121.77 3bk2 s VAL 137 Ca 0.07 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.27 3bk2 s VAL 137 Cb -0.13 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3bk2 s VAL 137 CO 0.02 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.32 3bk2 n GLY 138 N 4.57 0.96 0.09 4.51 0.00 -1.26 -2.40 105.19 111.65 3bk2 n GLY 138 Ca -0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 3bk2 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bk2 n ARG 139 N 2.39 0.63 -0.00 1.61 1.74 -1.26 -4.60 116.66 117.17 3bk2 n ARG 139 Ca 0.00 0.17 0.09 0.00 -0.77 0.00 0.00 57.85 57.34 3bk2 n ARG 139 Cb 0.00 -1.75 -0.11 0.00 -1.02 0.00 0.00 32.46 29.58 3bk2 n ARG 139 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3bk2 n TYR 140 N -2.84 0.00 -5.19 -1.55 4.01 -1.25 -4.98 117.16 105.36 3bk2 n TYR 140 Ca -0.13 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 3bk2 n TYR 140 Cb 0.88 -0.12 -0.17 0.00 -0.31 0.00 0.00 39.34 39.63 3bk2 n TYR 140 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3bk2 s PHE 141 N -2.86 2.46 -0.24 -0.72 0.08 -1.01 -3.93 117.98 111.76 3bk2 s PHE 141 Ca 0.03 -0.94 0.02 0.00 0.12 0.00 0.00 56.93 56.16 3bk2 s PHE 141 Cb 0.13 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.99 3bk2 s PHE 141 CO 0.75 -0.36 -0.11 0.99 -0.10 0.00 0.00 175.22 176.39 3bk2 s THR 142 N 0.23 1.93 -0.23 0.64 2.01 -0.67 0.40 115.64 119.94 3bk2 s THR 142 Ca -0.15 -1.38 -0.09 0.00 0.31 0.00 0.00 61.69 60.38 3bk2 s THR 142 Cb -0.17 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 3bk2 s THR 142 CO 0.07 0.04 0.13 -0.76 -0.69 0.00 0.00 174.62 173.42 3bk2 s LEU 143 N 1.23 3.97 -0.43 4.42 1.43 0.78 -0.80 118.68 129.28 3bk2 s LEU 143 Ca -0.06 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3bk2 s LEU 143 Cb -0.18 -2.05 0.11 0.00 0.03 0.00 0.00 46.19 44.09 3bk2 s LEU 143 CO -0.07 0.07 0.25 -1.81 0.23 0.00 0.00 176.35 175.03 3bk2 s ASP 144 N 1.01 5.41 0.44 2.29 1.01 0.14 -0.48 116.67 126.49 3bk2 s ASP 144 Ca 0.06 -1.98 -0.21 0.00 0.71 0.00 0.00 52.55 51.14 3bk2 s ASP 144 Cb -0.14 -1.89 -0.11 0.00 1.01 0.00 0.00 42.92 41.80 3bk2 s ASP 144 CO 0.04 -0.59 0.96 -0.76 0.21 0.00 0.00 175.17 175.02 3bk2 s LEU 145 N 1.22 3.91 -0.03 1.23 1.02 0.48 -0.16 118.68 126.34 3bk2 s LEU 145 Ca 0.07 1.70 -0.02 0.00 0.02 0.00 0.00 54.13 55.90 3bk2 s LEU 145 Cb -0.24 -4.54 0.02 0.00 0.02 0.00 0.00 46.19 41.45 3bk2 s LEU 145 CO -0.03 -0.41 0.08 0.72 0.02 0.00 0.00 176.35 176.73 3bk2 s PHE 146 N -2.20 -0.07 1.30 0.29 -0.71 -0.91 -3.83 117.98 111.84 3bk2 s PHE 146 Ca 0.62 0.25 -0.21 0.00 -1.04 0.00 0.00 56.93 56.56 3bk2 s PHE 146 Cb -0.10 -0.07 0.32 0.00 -1.21 0.00 0.00 43.02 41.97 3bk2 s PHE 146 CO 0.15 -0.08 1.03 0.50 -1.34 0.00 0.00 175.22 175.47 3bk2 s ARG 147 N 0.60 -1.97 -0.06 1.99 3.52 -1.11 -0.78 118.95 121.13 3bk2 s ARG 147 Ca -0.05 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 3bk2 s ARG 147 Cb -0.07 -1.50 -0.03 0.00 -1.56 0.00 0.00 34.95 31.80 3bk2 s ARG 147 CO -0.02 -4.23 -0.10 0.95 -0.81 0.00 0.00 175.30 171.09 3bk2 s THR 149 N -2.67 3.42 0.00 4.11 -4.23 -1.26 -0.52 115.64 114.49 3bk2 s THR 149 Ca 0.70 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 3bk2 s THR 149 Cb -0.12 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3bk2 s THR 149 CO 0.57 0.59 0.00 1.57 -0.54 0.00 0.00 174.62 176.81 3bk2 n HIS 150 N 2.34 -0.65 0.76 3.99 -0.00 -1.26 -2.27 115.22 118.13 3bk2 n HIS 150 Ca -0.18 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.57 3bk2 n HIS 150 Cb 0.53 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.63 3bk2 n HIS 150 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3bk2 n SER 151 N -1.08 1.96 -3.66 0.26 3.41 -1.26 -4.78 113.62 108.47 3bk2 n SER 151 Ca 0.00 -2.17 -0.14 0.00 -0.26 0.00 0.00 58.87 56.29 3bk2 n SER 151 Cb 0.00 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 3bk2 n SER 151 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3bk2 s ILE 152 N -1.60 0.01 1.03 -1.33 2.07 -1.26 -3.97 121.20 116.15 3bk2 s ILE 152 Ca 0.16 -0.07 -0.12 0.00 -1.41 0.00 0.00 60.65 59.21 3bk2 s ILE 152 Cb 0.11 -0.80 0.21 0.00 0.13 0.00 0.00 42.46 42.11 3bk2 s ILE 152 CO 0.07 -0.04 1.07 -2.84 -1.91 0.00 0.00 174.94 171.30 3bk2 s PRO 153 N -0.22 0.13 -1.35 3.50 0.02 -1.26 -4.11 135.00 131.71 3bk2 s PRO 153 Ca -0.04 0.68 -0.06 0.00 0.02 0.00 0.00 61.00 61.60 3bk2 s PRO 153 Cb -0.03 -1.69 0.02 0.00 0.02 0.00 0.00 34.50 32.82 3bk2 s PRO 153 CO 0.03 -2.97 1.00 -0.25 -0.33 0.00 0.00 177.00 174.47 3bk2 n ASP 154 N -4.37 -3.93 -4.66 2.53 8.00 -1.26 -4.73 116.55 108.14 3bk2 n ASP 154 Ca 0.05 -0.67 -0.35 0.00 0.71 0.00 0.00 54.79 54.53 3bk2 n ASP 154 Cb 0.56 -4.60 -0.10 0.00 -0.02 0.00 0.00 41.12 36.96 3bk2 n ASP 154 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3bk2 s ASN 155 N -3.78 5.41 0.12 -2.24 3.84 -1.26 -4.49 114.94 112.54 3bk2 s ASN 155 Ca 0.35 0.11 0.04 0.00 0.21 0.00 0.00 52.86 53.56 3bk2 s ASN 155 Cb -0.16 -1.74 -0.04 0.00 -0.55 0.00 0.00 41.25 38.75 3bk2 s ASN 155 CO 0.77 0.28 -0.09 -0.44 -2.79 0.00 0.00 177.10 174.83 3bk2 s SER 156 N -0.29 1.55 0.45 -4.21 0.01 -0.41 -4.37 113.70 106.43 3bk2 s SER 156 Ca 0.07 -0.95 0.04 0.00 1.31 0.00 0.00 55.95 56.42 3bk2 s SER 156 Cb -0.12 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.16 3bk2 s SER 156 CO 0.02 -0.34 0.30 0.61 0.41 0.00 0.00 173.24 174.24 3bk2 n GLY 157 N 0.06 2.90 3.44 3.44 0.00 0.04 -4.49 105.19 110.58 3bk2 n GLY 157 Ca -0.12 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 3bk2 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bk2 s VAL 158 N -2.29 -0.01 -0.37 1.61 0.11 0.17 -2.14 120.40 117.48 3bk2 s VAL 158 Ca 0.23 0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 59.10 3bk2 s VAL 158 Cb -0.02 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 3bk2 s VAL 158 CO 0.14 0.01 0.61 -0.69 -3.33 0.00 0.00 175.10 171.84 3bk2 s VAL 159 N 0.76 4.90 -0.52 2.04 1.01 0.77 -0.44 120.40 128.93 3bk2 s VAL 159 Ca -0.04 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 3bk2 s VAL 159 Cb -0.05 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.34 3bk2 s VAL 159 CO -0.06 -0.35 0.53 -0.63 0.00 0.00 0.00 175.10 174.59 3bk2 s ILE 160 N 2.66 5.07 -0.21 2.22 1.01 0.13 -0.69 121.20 131.40 3bk2 s ILE 160 Ca 0.23 -1.01 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 3bk2 s ILE 160 Cb -0.15 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 3bk2 s ILE 160 CO 0.15 -0.79 0.69 -0.13 0.00 0.00 0.00 174.94 174.87 3bk2 s ARG 161 N 2.05 4.21 0.47 2.79 0.52 0.02 -0.82 118.95 128.19 3bk2 s ARG 161 Ca 0.08 0.72 0.03 0.00 -0.52 0.00 0.00 55.73 56.04 3bk2 s ARG 161 Cb -0.24 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 3bk2 s ARG 161 CO 0.07 -0.32 0.00 0.95 0.02 0.00 0.00 175.30 176.02 3bk2 s THR 162 N 2.18 1.46 -0.08 0.02 -4.23 -0.53 -1.67 115.64 112.80 3bk2 s THR 162 Ca 0.31 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.12 3bk2 s THR 162 Cb -0.16 -2.47 0.34 0.00 1.34 0.00 0.00 72.50 71.56 3bk2 s THR 162 CO 0.10 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.43 3bk2 h PRO 163 N 1.50 0.00 -0.27 3.99 0.11 -1.98 -3.01 132.00 132.35 3bk2 h PRO 163 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3bk2 h PRO 163 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3bk2 h PRO 163 CO 0.77 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 179.00 3bk2 n ILE 164 N -2.75 0.97 0.00 4.15 -5.35 -1.26 -5.09 119.36 110.02 3bk2 n ILE 164 Ca 0.01 -0.99 0.00 0.00 -0.27 0.00 0.00 62.75 61.50 3bk2 n ILE 164 Cb 0.25 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 3bk2 n ILE 164 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bk2 n GLY 165 N 0.32 1.31 3.80 3.28 0.00 -1.14 -4.41 105.19 108.35 3bk2 n GLY 165 Ca 0.09 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 3bk2 n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bk2 s THR 166 N -1.15 5.34 -0.25 2.61 2.01 -1.26 -1.45 115.64 121.49 3bk2 s THR 166 Ca 0.00 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 3bk2 s THR 166 Cb 0.00 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.99 3bk2 s THR 166 CO 0.00 0.51 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 3bk2 s ILE 167 N -0.37 2.92 -0.25 1.82 1.01 -0.00 -1.48 121.20 124.85 3bk2 s ILE 167 Ca 0.16 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 3bk2 s ILE 167 Cb -0.13 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3bk2 s ILE 167 CO 0.05 0.19 0.41 -0.69 0.00 0.00 0.00 174.94 174.89 3bk2 s VAL 168 N 1.33 5.16 -0.30 2.92 1.01 0.85 0.19 120.40 131.56 3bk2 s VAL 168 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 3bk2 s VAL 168 Cb -0.17 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3bk2 s VAL 168 CO -0.04 0.16 0.04 -2.28 0.00 0.00 0.00 175.10 172.98 3bk2 s HIS 169 N 1.97 3.18 0.41 5.22 2.46 0.41 -0.82 115.29 128.13 3bk2 s HIS 169 Ca 0.17 -1.40 0.28 0.00 0.47 0.00 0.00 55.06 54.58 3bk2 s HIS 169 Cb -0.16 -2.19 1.49 0.00 -0.13 0.00 0.00 32.58 31.59 3bk2 s HIS 169 CO 0.09 -0.70 2.08 1.79 -2.47 0.00 0.00 174.74 175.54 3bk2 h THR 170 N 6.13 0.53 -0.97 0.89 1.35 -1.57 0.48 112.91 119.74 3bk2 h THR 170 Ca -0.27 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3bk2 h THR 170 Cb 1.10 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3bk2 h THR 170 CO 0.58 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3bk2 n GLY 171 N -0.69 -1.16 3.73 5.82 0.00 -1.26 -4.03 105.19 107.59 3bk2 n GLY 171 Ca -0.02 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3bk2 n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bk2 s ASP 172 N -4.00 7.41 0.01 1.61 1.11 -1.26 -4.22 116.67 117.33 3bk2 s ASP 172 Ca 0.00 1.70 -0.29 0.00 0.18 0.00 0.00 52.55 54.14 3bk2 s ASP 172 Cb 0.00 -2.56 0.10 0.00 1.07 0.00 0.00 42.92 41.52 3bk2 s ASP 172 CO 0.00 -0.11 0.99 0.72 1.18 0.00 0.00 175.17 177.95 3bk2 s PHE 173 N 0.29 -0.23 0.17 4.23 -0.71 -1.26 -4.78 117.98 115.69 3bk2 s PHE 173 Ca 0.47 0.06 -0.09 0.00 -1.04 0.00 0.00 56.93 56.33 3bk2 s PHE 173 Cb -0.22 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 3bk2 s PHE 173 CO 0.28 -0.55 0.30 -1.59 -1.34 0.00 0.00 175.22 172.32 3bk2 s LYS 174 N -3.00 1.19 -0.89 1.99 -2.85 -0.96 0.12 119.74 115.33 3bk2 s LYS 174 Ca 0.09 -1.18 -0.01 0.00 -1.00 0.00 0.00 55.97 53.87 3bk2 s LYS 174 Cb -0.01 0.38 0.25 0.00 -2.06 0.00 0.00 37.83 36.40 3bk2 s LYS 174 CO -0.05 -0.44 0.97 1.28 0.10 0.00 0.00 175.35 177.21 3bk2 n LEU 175 N -0.23 4.72 -4.62 2.77 4.77 -1.26 -3.99 117.00 119.17 3bk2 n LEU 175 Ca -0.07 -5.23 -0.43 0.00 -0.03 0.00 0.00 56.01 50.25 3bk2 n LEU 175 Cb 0.63 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 3bk2 n LEU 175 CO 0.24 1.72 1.33 -0.62 -1.33 0.00 0.00 177.39 178.73 3bk2 s ASP 176 N -1.12 6.34 0.53 -1.43 -1.08 -1.26 -4.88 116.67 113.77 3bk2 s ASP 176 Ca 0.32 1.38 0.32 0.00 -0.52 0.00 0.00 52.55 54.04 3bk2 s ASP 176 Cb 0.01 -2.53 1.21 0.00 -1.46 0.00 0.00 42.92 40.15 3bk2 s ASP 176 CO -0.04 -1.33 1.93 1.55 0.52 0.00 0.00 175.17 177.81 3bk2 h PRO 177 N 10.82 0.00 -2.03 4.34 0.13 -1.95 -3.36 132.00 139.95 3bk2 h PRO 177 Ca -0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 3bk2 h PRO 177 Cb 1.14 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 3bk2 h PRO 177 CO 1.02 0.02 -1.06 0.25 -0.23 0.00 0.00 178.00 178.00 3bk2 n THR 178 N -3.12 -0.01 -1.98 1.56 -2.24 -1.26 -5.01 114.28 102.22 3bk2 n THR 178 Ca 0.01 -4.41 -0.37 0.00 -2.27 0.00 0.00 64.05 57.01 3bk2 n THR 178 Cb 0.34 -1.37 0.03 0.00 -2.10 0.00 0.00 70.33 67.24 3bk2 n THR 178 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3bk2 s PRO 179 N -1.86 3.06 0.40 -0.78 0.04 -1.26 -4.60 135.00 130.00 3bk2 s PRO 179 Ca 0.38 1.91 0.11 0.00 0.04 0.00 0.00 61.00 63.44 3bk2 s PRO 179 Cb 0.24 -2.03 0.91 0.00 0.04 0.00 0.00 34.50 33.66 3bk2 s PRO 179 CO -0.09 -1.16 1.94 0.82 0.04 0.00 0.00 177.00 178.54 3bk2 h ILE 180 N 1.07 0.89 -0.22 0.56 1.08 -1.95 -1.42 117.51 117.51 3bk2 h ILE 180 Ca -0.50 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3bk2 h ILE 180 Cb 1.30 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 3bk2 h ILE 180 CO 0.56 0.10 0.00 -0.90 -0.69 0.00 0.00 178.15 177.22 3bk2 n ASP 181 N -4.49 2.33 -0.26 1.72 5.75 -1.26 -4.93 116.55 115.40 3bk2 n ASP 181 Ca 0.13 -1.81 -0.03 0.00 -0.01 0.00 0.00 54.79 53.06 3bk2 n ASP 181 Cb 0.39 -0.14 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 3bk2 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bk2 n GLY 182 N 1.27 0.57 3.24 6.12 0.00 -0.54 -4.98 105.19 110.87 3bk2 n GLY 182 Ca 0.17 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3bk2 n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bk2 s LYS 183 N -1.58 2.79 0.82 1.61 1.02 -1.26 -4.98 119.74 118.16 3bk2 s LYS 183 Ca 0.00 -1.99 -0.11 0.00 0.02 0.00 0.00 55.97 53.89 3bk2 s LYS 183 Cb 0.00 -4.06 0.08 0.00 -0.52 0.00 0.00 37.83 33.33 3bk2 s LYS 183 CO 0.00 -1.24 1.09 0.14 -0.92 0.00 0.00 175.35 174.43 3bk2 s VAL 184 N 0.99 3.00 0.40 3.17 -7.23 -1.26 -4.70 120.40 114.77 3bk2 s VAL 184 Ca 0.09 0.33 -0.25 0.00 -1.81 0.00 0.00 61.98 60.33 3bk2 s VAL 184 Cb -0.23 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 33.63 3bk2 s VAL 184 CO -0.02 -0.43 1.23 -0.44 -0.31 0.00 0.00 175.10 175.13 3bk2 s SER 185 N -3.76 6.41 -0.41 4.85 0.01 -1.26 -4.76 113.70 114.77 3bk2 s SER 185 Ca 0.61 2.48 -0.10 0.00 1.31 0.00 0.00 55.95 60.24 3bk2 s SER 185 Cb -0.15 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.51 3bk2 s SER 185 CO 0.55 -0.76 0.26 -1.00 0.41 0.00 0.00 173.24 172.69 3bk2 s HIS 186 N -1.35 3.29 -2.49 2.43 3.76 0.32 -4.94 115.29 116.32 3bk2 s HIS 186 Ca 0.57 -1.27 0.21 0.00 -0.15 0.00 0.00 55.06 54.42 3bk2 s HIS 186 Cb -0.34 -2.80 0.24 0.00 1.11 0.00 0.00 32.58 30.80 3bk2 s HIS 186 CO 0.43 -0.78 1.22 1.28 -0.85 0.00 0.00 174.74 176.05 3bk2 n LEU 187 N 4.98 2.94 -0.13 0.89 4.77 -1.26 -4.47 117.00 124.71 3bk2 n LEU 187 Ca -0.11 -1.18 -0.06 0.00 -0.03 0.00 0.00 56.01 54.63 3bk2 n LEU 187 Cb 0.44 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3bk2 n LEU 187 CO 0.39 0.55 1.00 0.00 -1.33 0.00 0.00 177.39 178.00 3bk2 h ALA 188 N 4.10 0.52 -0.45 -1.18 0.00 -1.99 0.13 119.26 120.38 3bk2 h ALA 188 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3bk2 h ALA 188 Cb 0.89 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3bk2 h ALA 188 CO 0.00 -0.14 0.01 0.87 0.00 0.00 0.00 179.25 179.99 3bk2 h LYS 189 N 0.43 0.73 -0.03 0.00 1.57 -1.98 -0.43 116.57 116.86 3bk2 h LYS 189 Ca 0.18 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3bk2 h LYS 189 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3bk2 h LYS 189 CO -0.12 0.73 -0.02 0.28 -0.57 0.00 0.00 179.45 179.75 3bk2 h VAL 190 N 0.69 1.37 -0.63 0.50 2.07 -1.69 -1.09 116.25 117.47 3bk2 h VAL 190 Ca 0.14 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3bk2 h VAL 190 Cb 0.40 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3bk2 h VAL 190 CO 0.01 0.30 0.35 0.00 0.02 0.00 0.00 177.57 178.26 3bk2 h ALA 191 N 0.55 0.80 -0.28 1.67 0.00 -0.70 -0.67 119.26 120.63 3bk2 h ALA 191 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3bk2 h ALA 191 Cb 0.50 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3bk2 h ALA 191 CO 0.01 0.31 0.03 0.37 0.00 0.00 0.00 179.25 179.97 3bk2 h GLN 192 N 0.85 0.12 -0.72 0.00 4.15 -1.05 -1.38 115.11 117.09 3bk2 h GLN 192 Ca 0.22 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 3bk2 h GLN 192 Cb 0.03 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3bk2 h GLN 192 CO -0.04 0.08 0.31 0.00 -1.93 0.00 0.00 178.83 177.25 3bk2 h ALA 193 N 1.22 1.19 -0.48 3.38 0.00 -0.86 -1.91 119.26 121.80 3bk2 h ALA 193 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3bk2 h ALA 193 Cb 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3bk2 h ALA 193 CO -0.20 0.60 0.29 0.78 0.00 0.00 0.00 179.25 180.71 3bk2 h GLY 194 N 1.09 0.68 1.53 0.00 0.00 -0.29 0.15 103.07 106.22 3bk2 h GLY 194 Ca 0.24 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3bk2 h GLY 194 CO -0.03 0.18 -0.17 0.00 0.00 0.00 0.00 176.54 176.53 3bk2 h ALA 195 N 1.21 1.13 0.00 3.60 0.00 -0.93 -2.65 119.26 121.62 3bk2 h ALA 195 Ca 0.19 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3bk2 h ALA 195 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3bk2 h ALA 195 CO -0.09 0.54 -0.58 0.93 0.00 0.00 0.00 179.25 180.05 3bk2 h GLU 196 N 0.51 0.00 0.00 0.00 5.08 -0.83 -3.49 114.58 115.85 3bk2 h GLU 196 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bk2 h GLU 196 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3bk2 h GLU 196 CO 0.04 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 3bk2 n GLY 197 N 0.46 2.57 3.60 -3.84 0.00 0.48 -5.08 105.19 103.37 3bk2 n GLY 197 Ca -0.00 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 3bk2 n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bk2 s VAL 198 N 0.00 5.12 -0.08 1.61 1.01 -1.24 -4.56 120.40 122.26 3bk2 s VAL 198 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 3bk2 s VAL 198 Cb 0.00 -3.40 -0.23 0.00 0.00 0.00 0.00 36.38 32.75 3bk2 s VAL 198 CO 0.00 0.32 1.00 0.25 0.00 0.00 0.00 175.10 176.67 3bk2 h LEU 199 N 7.84 -0.01 -7.88 3.92 5.85 -1.63 -2.24 115.31 121.16 3bk2 h LEU 199 Ca -0.37 -0.74 -0.36 0.00 0.84 0.00 0.00 57.88 57.26 3bk2 h LEU 199 Cb 1.18 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.91 3bk2 h LEU 199 CO 0.61 0.74 -0.76 -0.22 -0.34 0.00 0.00 178.44 178.47 3bk2 s LEU 200 N -8.71 1.82 -0.13 2.25 2.96 -0.96 -0.63 118.68 115.28 3bk2 s LEU 200 Ca -0.17 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3bk2 s LEU 200 Cb -0.01 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.33 3bk2 s LEU 200 CO 0.67 0.04 -0.15 -0.22 -1.32 0.00 0.00 176.35 175.37 3bk2 s LEU 201 N 0.14 2.54 -0.19 -0.68 2.96 -0.50 -0.11 118.68 122.85 3bk2 s LEU 201 Ca -0.01 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3bk2 s LEU 201 Cb -0.06 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.07 3bk2 s LEU 201 CO -0.00 0.14 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 3bk2 s ILE 202 N 0.50 2.68 0.04 6.68 1.01 0.00 -0.76 121.20 131.35 3bk2 s ILE 202 Ca -0.10 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3bk2 s ILE 202 Cb -0.16 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3bk2 s ILE 202 CO 0.04 0.49 -0.06 0.00 0.00 0.00 0.00 174.94 175.42 3bk2 s ALA 203 N 1.25 0.42 -0.22 9.38 0.00 -1.21 -1.61 121.76 129.77 3bk2 s ALA 203 Ca 0.03 -0.73 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 3bk2 s ALA 203 Cb -0.14 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3bk2 s ALA 203 CO -0.06 -0.09 2.13 0.34 0.00 0.00 0.00 175.76 178.08 3bk2 s ASP 204 N -1.63 5.58 0.00 0.00 -1.08 -1.26 -1.37 116.67 116.91 3bk2 s ASP 204 Ca -0.11 1.84 0.23 0.00 -0.52 0.00 0.00 52.55 53.99 3bk2 s ASP 204 Cb -0.09 -2.51 0.44 0.00 -1.46 0.00 0.00 42.92 39.30 3bk2 s ASP 204 CO -0.01 -1.87 1.41 0.00 0.52 0.00 0.00 175.17 175.23 3bk2 n ALA 205 N 11.22 2.42 -0.29 3.66 0.00 -0.17 -4.73 120.51 132.62 3bk2 n ALA 205 Ca 0.28 -1.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.70 3bk2 n ALA 205 Cb 0.45 -0.88 0.04 0.00 0.00 0.00 0.00 19.45 19.06 3bk2 n ALA 205 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3bk2 h THR 206 N 4.48 0.11 -0.58 0.00 2.02 -1.71 -2.21 112.91 115.02 3bk2 h THR 206 Ca 0.00 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 3bk2 h THR 206 Cb 0.99 0.11 -0.20 0.00 -1.74 0.00 0.00 68.15 67.30 3bk2 h THR 206 CO 0.00 0.00 0.05 0.59 0.37 0.00 0.00 175.52 176.53 3bk2 n ASN 207 N -5.47 3.60 0.22 4.18 5.03 -1.25 -4.70 115.26 116.86 3bk2 n ASN 207 Ca 0.08 -3.76 0.15 0.00 0.87 0.00 0.00 54.58 51.92 3bk2 n ASN 207 Cb 0.39 -0.67 0.76 0.00 -1.02 0.00 0.00 39.78 39.24 3bk2 n ASN 207 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bk2 h ALA 208 N 1.27 1.00 -0.01 5.41 0.00 -1.61 -0.82 119.26 124.50 3bk2 h ALA 208 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3bk2 h ALA 208 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3bk2 h ALA 208 CO 0.70 0.00 -0.39 -0.85 0.00 0.00 0.00 179.25 178.71 3bk2 n GLU 209 N -2.56 1.06 -3.22 0.00 0.28 -1.26 -4.59 120.64 110.35 3bk2 n GLU 209 Ca -0.01 -0.79 -0.40 0.00 -0.16 0.00 0.00 57.16 55.80 3bk2 n GLU 209 Cb 0.10 -1.48 -0.07 0.00 1.43 0.00 0.00 31.44 31.41 3bk2 n GLU 209 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3bk2 s ARG 210 N -2.49 4.09 0.80 3.44 0.52 -0.31 -5.02 118.95 119.97 3bk2 s ARG 210 Ca 0.21 0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.67 3bk2 s ARG 210 Cb 0.19 -3.64 0.07 0.00 0.52 0.00 0.00 34.95 32.08 3bk2 s ARG 210 CO 0.55 -0.34 1.09 -2.14 0.02 0.00 0.00 175.30 174.48 3bk2 s PRO 211 N 2.26 2.09 3.00 3.54 0.02 -1.26 -0.76 135.00 143.89 3bk2 s PRO 211 Ca 0.22 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.14 3bk2 s PRO 211 Cb -0.16 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3bk2 s PRO 211 CO 0.09 -1.68 0.00 0.41 -0.33 0.00 0.00 177.00 175.49 3bk2 n GLY 212 N -1.58 -0.37 3.27 0.52 0.00 -1.26 -4.60 105.19 101.16 3bk2 n GLY 212 Ca 0.08 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 3bk2 n GLY 212 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bk2 s TYR 213 N 0.00 1.89 0.23 1.61 1.13 -1.26 -0.86 117.35 120.09 3bk2 s TYR 213 Ca 0.00 -0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 54.98 3bk2 s TYR 213 Cb 0.00 -1.12 -0.09 0.00 -1.10 0.00 0.00 41.96 39.64 3bk2 s TYR 213 CO 0.00 0.10 1.32 0.99 -2.51 0.00 0.00 175.55 175.45 3bk2 s THR 214 N -0.82 3.06 0.50 -3.49 2.01 -1.26 -4.91 115.64 110.74 3bk2 s THR 214 Ca 0.08 0.92 -0.23 0.00 0.31 0.00 0.00 61.69 62.76 3bk2 s THR 214 Cb -0.09 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 3bk2 s THR 214 CO 0.02 0.16 1.37 -2.84 -0.69 0.00 0.00 174.62 172.63 3bk2 s PRO 215 N -0.51 3.40 0.50 4.92 0.02 -1.26 -4.92 135.00 137.14 3bk2 s PRO 215 Ca 0.55 2.27 -0.22 0.00 0.02 0.00 0.00 61.00 63.62 3bk2 s PRO 215 Cb -0.38 -2.42 -0.07 0.00 0.02 0.00 0.00 34.50 31.66 3bk2 s PRO 215 CO 0.42 -0.99 1.18 0.45 -0.33 0.00 0.00 177.00 177.72 3bk2 s SER 216 N -0.82 5.91 0.00 2.53 0.15 -1.26 -4.78 113.70 115.44 3bk2 s SER 216 Ca 0.67 2.32 0.00 0.00 0.70 0.00 0.00 55.95 59.64 3bk2 s SER 216 Cb -0.41 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 3bk2 s SER 216 CO 0.50 -1.10 0.04 1.21 1.20 0.00 0.00 173.24 175.09 3bk2 n GLU 217 N -0.82 0.00 0.00 5.44 4.07 -1.26 -3.14 120.64 124.93 3bk2 n GLU 217 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3bk2 n GLU 217 Cb 0.49 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 3bk2 n GLU 217 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3bk2 n GLU 219 N 2.02 0.00 -0.19 5.31 1.02 -1.26 -1.19 120.64 126.35 3bk2 n GLU 219 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3bk2 n GLU 219 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 3bk2 n GLU 219 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3bk2 h ILE 220 N 0.00 1.22 -0.75 -3.67 1.08 -1.85 -1.13 117.51 112.41 3bk2 h ILE 220 Ca 0.00 -0.68 0.09 0.00 -0.39 0.00 0.00 64.86 63.88 3bk2 h ILE 220 Cb 0.00 0.65 -0.07 0.00 -3.07 0.00 0.00 36.82 34.33 3bk2 h ILE 220 CO 0.00 0.26 0.41 0.00 -0.69 0.00 0.00 178.15 178.13 3bk2 h ALA 221 N 1.07 1.04 -0.43 1.87 0.00 -1.46 0.39 119.26 121.75 3bk2 h ALA 221 Ca 0.18 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3bk2 h ALA 221 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3bk2 h ALA 221 CO -0.02 0.03 -0.04 0.87 0.00 0.00 0.00 179.25 180.09 3bk2 h LYS 222 N 0.70 0.78 -0.51 0.00 1.57 -1.73 -1.02 116.57 116.35 3bk2 h LYS 222 Ca 0.36 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3bk2 h LYS 222 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3bk2 h LYS 222 CO -0.24 0.88 0.01 1.49 -0.57 0.00 0.00 179.45 181.01 3bk2 h GLU 223 N 0.61 0.90 -0.62 3.15 4.57 -0.41 -1.31 114.58 121.47 3bk2 h GLU 223 Ca 0.12 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 3bk2 h GLU 223 Cb 0.55 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3bk2 h GLU 223 CO 0.03 0.92 0.30 -0.07 -1.18 0.00 0.00 179.01 179.01 3bk2 h LEU 224 N 0.77 0.79 -0.36 1.64 3.38 -0.16 -0.42 115.31 120.94 3bk2 h LEU 224 Ca 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bk2 h LEU 224 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3bk2 h LEU 224 CO 0.02 0.67 0.23 -0.78 0.09 0.00 0.00 178.44 178.68 3bk2 h ASP 225 N 0.88 0.43 0.45 -0.43 1.82 -0.69 -1.18 116.42 117.70 3bk2 h ASP 225 Ca 0.22 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 3bk2 h ASP 225 Cb 0.09 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.00 3bk2 h ASP 225 CO -0.03 0.34 -0.22 0.03 -1.61 0.00 0.00 179.24 177.75 3bk2 h ARG 226 N 0.48 -0.58 -0.00 0.28 3.08 -0.39 -1.64 114.38 115.61 3bk2 h ARG 226 Ca 0.13 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 3bk2 h ARG 226 Cb -0.02 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3bk2 h ARG 226 CO -0.03 -0.31 -0.24 -0.39 -1.07 0.00 0.00 179.97 177.93 3bk2 h VAL 227 N -0.77 1.18 -0.06 2.04 -1.51 -1.11 -2.48 116.25 113.53 3bk2 h VAL 227 Ca -0.06 -0.84 -0.25 0.00 -1.23 0.00 0.00 66.70 64.32 3bk2 h VAL 227 Cb 0.54 1.45 0.02 0.00 -2.13 0.00 0.00 31.29 31.17 3bk2 h VAL 227 CO 0.10 0.24 -0.94 0.40 -1.23 0.00 0.00 177.57 176.14 3bk2 h ILE 228 N 0.00 1.28 0.00 7.19 2.04 -1.19 -2.71 117.51 124.12 3bk2 h ILE 228 Ca -0.00 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.72 3bk2 h ILE 228 Cb 0.43 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3bk2 h ILE 228 CO 0.03 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.46 3bk2 n GLY 229 N 0.93 -0.96 0.03 5.37 0.00 -0.62 -1.75 105.19 108.19 3bk2 n GLY 229 Ca -0.09 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3bk2 n GLY 229 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3bk2 n ARG 230 N -1.58 0.42 -1.93 1.61 0.63 -0.96 -4.94 116.66 109.91 3bk2 n ARG 230 Ca 0.03 -0.05 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 3bk2 n ARG 230 Cb 0.15 -1.59 -0.03 0.00 0.45 0.00 0.00 32.46 31.44 3bk2 n ARG 230 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bk2 s ALA 231 N -3.31 3.67 0.12 5.13 0.00 -0.71 -4.92 121.76 121.74 3bk2 s ALA 231 Ca -0.00 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 3bk2 s ALA 231 Cb 0.14 -3.71 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3bk2 s ALA 231 CO 0.84 -1.16 1.39 -1.35 0.00 0.00 0.00 175.76 175.48 3bk2 h PRO 232 N 8.56 0.85 0.00 0.00 0.11 -1.89 -3.47 132.00 136.17 3bk2 h PRO 232 Ca -0.43 -0.56 0.00 0.00 0.11 0.00 0.00 66.00 65.13 3bk2 h PRO 232 Cb 1.20 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3bk2 h PRO 232 CO 0.93 1.19 0.00 0.41 -0.21 0.00 0.00 178.00 180.32 3bk2 n GLY 233 N 0.41 3.73 3.74 -0.55 0.00 -1.26 -4.30 105.19 106.96 3bk2 n GLY 233 Ca -0.05 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3bk2 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bk2 s ARG 234 N 4.46 2.26 -0.06 1.61 0.52 -0.94 -4.08 118.95 122.71 3bk2 s ARG 234 Ca 0.00 1.45 0.02 0.00 -0.52 0.00 0.00 55.73 56.67 3bk2 s ARG 234 Cb 0.00 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.61 3bk2 s ARG 234 CO 0.00 -1.68 -0.10 0.08 0.02 0.00 0.00 175.30 173.63 3bk2 s VAL 235 N -2.43 0.97 -0.12 3.52 1.01 -0.97 -1.48 120.40 120.89 3bk2 s VAL 235 Ca 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3bk2 s VAL 235 Cb -0.22 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3bk2 s VAL 235 CO 0.48 0.32 -0.13 -0.36 0.00 0.00 0.00 175.10 175.41 3bk2 s PHE 236 N 0.83 2.81 -0.11 5.22 0.40 0.12 -0.27 117.98 126.97 3bk2 s PHE 236 Ca -0.12 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 3bk2 s PHE 236 Cb -0.15 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.57 3bk2 s PHE 236 CO 0.02 -0.16 -0.13 0.08 0.70 0.00 0.00 175.22 175.72 3bk2 s VAL 237 N 0.23 1.38 -0.04 -0.44 1.01 0.11 0.27 120.40 122.93 3bk2 s VAL 237 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3bk2 s VAL 237 Cb -0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3bk2 s VAL 237 CO 0.05 0.42 -0.06 0.42 0.00 0.00 0.00 175.10 175.93 3bk2 s THR 238 N 1.12 3.71 0.15 3.92 -4.23 -0.45 -1.00 115.64 118.85 3bk2 s THR 238 Ca -0.04 -0.60 -0.24 0.00 -1.18 0.00 0.00 61.69 59.62 3bk2 s THR 238 Cb -0.14 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.22 3bk2 s THR 238 CO -0.03 0.51 1.06 0.28 -0.54 0.00 0.00 174.62 175.90 3bk2 s THR 239 N -0.90 0.00 0.39 3.99 -1.32 -1.15 -0.59 115.64 116.06 3bk2 s THR 239 Ca 0.15 -0.54 -0.24 0.00 -1.21 0.00 0.00 61.69 59.84 3bk2 s THR 239 Cb -0.11 -2.61 -0.09 0.00 -1.51 0.00 0.00 72.50 68.18 3bk2 s THR 239 CO 0.04 0.00 1.04 -0.36 -2.21 0.00 0.00 174.62 173.13 3bk2 s PHE 240 N -2.44 3.31 0.52 9.09 0.40 -1.26 -4.25 117.98 123.35 3bk2 s PHE 240 Ca 0.19 1.65 0.22 0.00 -0.60 0.00 0.00 56.93 58.40 3bk2 s PHE 240 Cb -0.01 -3.10 1.43 0.00 0.51 0.00 0.00 43.02 41.84 3bk2 s PHE 240 CO 0.03 -0.54 2.14 0.00 0.70 0.00 0.00 175.22 177.56 3bk2 h ALA 241 N 2.55 1.68 -0.29 5.36 0.00 -1.67 -2.21 119.26 124.69 3bk2 h ALA 241 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3bk2 h ALA 241 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3bk2 h ALA 241 CO 0.63 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.81 3bk2 n SER 242 N -4.14 2.01 -3.78 0.00 3.41 -1.26 -4.53 113.62 105.34 3bk2 n SER 242 Ca -0.03 -1.87 -0.42 0.00 -0.26 0.00 0.00 58.87 56.30 3bk2 n SER 242 Cb 0.14 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3bk2 n SER 242 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bk2 n HIS 243 N 0.57 2.84 -0.36 7.33 8.25 -0.83 -4.65 115.22 128.37 3bk2 n HIS 243 Ca 0.15 -2.79 0.05 0.00 -0.26 0.00 0.00 57.72 54.87 3bk2 n HIS 243 Cb 0.35 -1.93 0.21 0.00 1.12 0.00 0.00 29.99 29.74 3bk2 n HIS 243 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3bk2 h ILE 244 N 3.50 0.99 -0.17 1.59 1.08 -1.80 -0.89 117.51 121.81 3bk2 h ILE 244 Ca 0.46 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 3bk2 h ILE 244 Cb 0.56 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 3bk2 h ILE 244 CO 1.60 0.19 0.10 0.45 -0.69 0.00 0.00 178.15 179.80 3bk2 h HIS 245 N 1.06 0.22 -0.60 1.37 3.86 -1.87 -1.00 115.15 118.19 3bk2 h HIS 245 Ca 0.46 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 3bk2 h HIS 245 Cb 0.34 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 3bk2 h HIS 245 CO -0.01 0.19 0.35 -0.09 0.86 0.00 0.00 177.93 179.24 3bk2 h ARG 246 N 0.19 0.82 -0.96 2.45 9.65 -1.70 -0.74 114.38 124.08 3bk2 h ARG 246 Ca 0.06 -0.08 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3bk2 h ARG 246 Cb 0.04 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.39 3bk2 h ARG 246 CO -0.01 0.60 0.63 0.82 2.80 0.00 0.00 179.97 184.81 3bk2 h ILE 247 N 0.81 1.17 -0.46 1.20 2.04 -0.94 -0.18 117.51 121.15 3bk2 h ILE 247 Ca 0.21 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3bk2 h ILE 247 Cb -0.01 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 3bk2 h ILE 247 CO -0.04 0.22 -0.00 -0.61 0.00 0.00 0.00 178.15 177.72 3bk2 h GLN 248 N 1.23 0.82 -0.95 2.37 5.75 -0.67 -0.51 115.11 123.14 3bk2 h GLN 248 Ca 0.38 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.65 3bk2 h GLN 248 Cb -0.02 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.41 3bk2 h GLN 248 CO -0.12 0.87 0.62 0.77 -2.65 0.00 0.00 178.83 178.33 3bk2 h SER 249 N 0.66 1.04 -0.17 -0.69 0.02 -0.24 -0.65 113.55 113.53 3bk2 h SER 249 Ca 0.13 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3bk2 h SER 249 Cb 0.50 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 3bk2 h SER 249 CO 0.02 0.72 -0.10 0.58 -1.14 0.00 0.00 176.83 176.91 3bk2 h VAL 250 N 1.22 1.32 -0.73 2.27 2.07 -0.85 -2.57 116.25 118.97 3bk2 h VAL 250 Ca 0.38 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3bk2 h VAL 250 Cb -0.02 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3bk2 h VAL 250 CO -0.12 0.35 0.43 0.40 0.02 0.00 0.00 177.57 178.66 3bk2 h ILE 251 N 0.04 1.02 -0.68 4.57 2.04 -0.69 0.07 117.51 123.88 3bk2 h ILE 251 Ca 0.04 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3bk2 h ILE 251 Cb 0.59 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3bk2 h ILE 251 CO 0.03 0.15 0.28 -0.50 0.00 0.00 0.00 178.15 178.10 3bk2 h TRP 252 N 0.80 1.00 0.03 1.37 6.55 -1.08 -0.80 115.95 123.83 3bk2 h TRP 252 Ca 0.32 -0.06 -0.00 0.00 0.95 0.00 0.00 58.89 60.10 3bk2 h TRP 252 Cb 0.15 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.14 3bk2 h TRP 252 CO -0.06 0.76 -0.01 0.00 -1.05 0.00 0.00 178.44 178.08 3bk2 h ALA 253 N 1.33 -0.04 -0.65 1.49 0.00 -0.89 -1.46 119.26 119.03 3bk2 h ALA 253 Ca 0.23 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3bk2 h ALA 253 Cb 0.18 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3bk2 h ALA 253 CO -0.02 -0.41 0.38 0.00 0.00 0.00 0.00 179.25 179.20 3bk2 h ALA 254 N 0.71 0.86 -0.41 0.00 0.00 -0.77 -2.79 119.26 116.85 3bk2 h ALA 254 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3bk2 h ALA 254 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3bk2 h ALA 254 CO 0.01 0.10 0.14 0.93 0.00 0.00 0.00 179.25 180.43 3bk2 h GLU 255 N 0.73 0.62 -0.27 0.00 5.08 -1.05 0.22 114.58 119.92 3bk2 h GLU 255 Ca 0.27 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 3bk2 h GLU 255 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3bk2 h GLU 255 CO -0.14 0.61 0.20 -0.22 -1.00 0.00 0.00 179.01 178.46 3bk2 h LYS 256 N 0.52 0.00 -0.40 2.33 3.64 -1.00 -1.99 116.57 119.67 3bk2 h LYS 256 Ca 0.13 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3bk2 h LYS 256 Cb 0.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3bk2 h LYS 256 CO -0.01 0.00 0.04 0.66 -2.27 0.00 0.00 179.45 177.87 3bk2 n TYR 257 N -4.42 1.36 -3.52 1.91 4.01 -1.10 -4.97 117.16 110.44 3bk2 n TYR 257 Ca 0.04 -1.05 -0.21 0.00 -0.16 0.00 0.00 57.90 56.52 3bk2 n TYR 257 Cb 0.36 -0.43 0.08 0.00 -0.31 0.00 0.00 39.34 39.04 3bk2 n TYR 257 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bk2 n GLY 258 N -0.45 -0.46 3.47 2.72 0.00 -0.75 -4.96 105.19 104.77 3bk2 n GLY 258 Ca 0.28 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 3bk2 n GLY 258 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bk2 s ARG 259 N -5.87 2.87 0.06 1.61 0.52 0.75 -4.66 118.95 114.23 3bk2 s ARG 259 Ca 0.31 -0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 3bk2 s ARG 259 Cb -0.14 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.75 3bk2 s ARG 259 CO 0.73 0.50 0.63 0.15 0.02 0.00 0.00 175.30 177.33 3bk2 s LYS 260 N -0.38 4.33 -0.30 3.54 1.02 -0.65 -4.11 119.74 123.19 3bk2 s LYS 260 Ca 0.05 0.84 -0.16 0.00 0.02 0.00 0.00 55.97 56.71 3bk2 s LYS 260 Cb -0.12 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3bk2 s LYS 260 CO 0.02 0.51 0.42 0.08 -0.92 0.00 0.00 175.35 175.46 3bk2 s VAL 261 N -0.72 5.12 0.00 3.17 1.01 -1.26 -2.10 120.40 125.62 3bk2 s VAL 261 Ca 0.32 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3bk2 s VAL 261 Cb -0.20 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3bk2 s VAL 261 CO 0.20 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.32 3bk2 n ALA 262 N 5.46 0.00 0.00 5.51 0.00 -0.18 -0.36 120.51 130.95 3bk2 n ALA 262 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3bk2 n ALA 262 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3bk2 n ALA 262 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3bk2 n GLU 264 N -0.33 0.00 0.00 0.00 4.07 0.02 -0.96 120.64 123.44 3bk2 n GLU 264 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3bk2 n GLU 264 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3bk2 n GLU 264 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3bk2 n GLY 265 N -0.02 2.51 0.36 8.31 0.00 -1.26 -2.42 105.19 112.67 3bk2 n GLY 265 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.21 3bk2 n GLY 265 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3bk2 h ARG 266 N 0.00 -0.02 -1.06 1.61 2.43 -1.85 -2.23 114.38 113.26 3bk2 h ARG 266 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bk2 h ARG 266 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3bk2 h ARG 266 CO 0.00 -0.02 0.00 -1.13 -1.51 0.00 0.00 179.97 177.31 3bk2 n SER 267 N -5.52 0.12 0.00 -3.80 3.41 -1.24 -1.88 113.62 104.71 3bk2 n SER 267 Ca 0.11 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3bk2 n SER 267 Cb 0.42 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3bk2 n SER 267 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bk2 n LEU 269 N 0.74 0.00 0.14 1.04 4.77 -0.84 -1.22 117.00 121.62 3bk2 n LEU 269 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3bk2 n LEU 269 Cb 0.02 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3bk2 n LEU 269 CO 0.00 0.00 0.66 0.50 -1.33 0.00 0.00 177.39 177.22 3bk2 h LYS 270 N 0.00 -0.32 -0.73 3.23 3.64 -1.63 0.10 116.57 120.86 3bk2 h LYS 270 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3bk2 h LYS 270 Cb 0.00 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3bk2 h LYS 270 CO 0.00 -0.06 0.35 0.74 -2.27 0.00 0.00 179.45 178.20 3bk2 h PHE 271 N -0.54 1.04 -0.44 1.91 -1.00 -1.43 -2.31 116.94 114.17 3bk2 h PHE 271 Ca -0.03 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.59 3bk2 h PHE 271 Cb 0.40 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3bk2 h PHE 271 CO -0.00 0.76 -0.17 0.77 -1.61 0.00 0.00 178.31 178.06 3bk2 h SER 272 N 1.04 0.92 -0.07 2.17 0.02 -1.78 -0.96 113.55 114.89 3bk2 h SER 272 Ca 0.25 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3bk2 h SER 272 Cb 0.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3bk2 h SER 272 CO -0.03 1.10 -0.02 0.03 -1.14 0.00 0.00 176.83 176.77 3bk2 h ARG 273 N 0.73 0.00 -0.64 3.45 3.08 -0.74 0.17 114.38 120.44 3bk2 h ARG 273 Ca 0.10 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.20 3bk2 h ARG 273 Cb 0.73 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 3bk2 h ARG 273 CO 0.06 0.00 0.37 0.82 -1.07 0.00 0.00 179.97 180.14 3bk2 h ILE 274 N 0.00 1.01 -0.74 2.04 2.04 -1.32 0.33 117.51 120.86 3bk2 h ILE 274 Ca 0.03 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3bk2 h ILE 274 Cb 0.05 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3bk2 h ILE 274 CO -0.07 0.13 0.36 0.00 0.00 0.00 0.00 178.15 178.57 3bk2 h ALA 275 N 1.31 1.23 -0.14 1.87 0.00 -0.78 -1.40 119.26 121.36 3bk2 h ALA 275 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3bk2 h ALA 275 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3bk2 h ALA 275 CO -0.15 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.59 3bk2 h LEU 276 N 1.05 0.27 -0.70 0.00 3.38 -0.04 0.28 115.31 119.56 3bk2 h LEU 276 Ca 0.26 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3bk2 h LEU 276 Cb 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3bk2 h LEU 276 CO -0.03 0.58 0.40 -0.33 0.09 0.00 0.00 178.44 179.15 3bk2 h GLU 277 N -0.04 0.72 -0.05 1.13 5.08 -0.74 -1.69 114.58 118.99 3bk2 h GLU 277 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3bk2 h GLU 277 Cb 0.46 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3bk2 h GLU 277 CO 0.01 0.48 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 3bk2 n LEU 278 N -4.75 0.71 -0.09 1.33 4.77 -0.55 -4.93 117.00 113.50 3bk2 n LEU 278 Ca 0.09 -0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 3bk2 n LEU 278 Cb 0.17 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3bk2 n LEU 278 CO 0.30 0.14 -0.01 0.61 -1.33 0.00 0.00 177.39 177.10 3bk2 n GLY 279 N 0.98 0.50 0.13 -0.72 0.00 -0.64 -4.92 105.19 100.51 3bk2 n GLY 279 Ca 0.17 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.76 3bk2 n GLY 279 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bk2 h TYR 280 N 0.00 0.00 -4.28 1.61 -1.99 -0.71 -3.45 116.97 108.14 3bk2 h TYR 280 Ca -0.02 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.09 3bk2 h TYR 280 Cb 0.12 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 38.58 3bk2 h TYR 280 CO 0.06 0.00 -0.85 -0.51 -0.00 0.00 0.00 178.16 176.86 3bk2 s LEU 281 N -5.19 2.13 -0.05 3.88 1.43 -1.07 -4.97 118.68 114.83 3bk2 s LEU 281 Ca 0.04 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3bk2 s LEU 281 Cb 0.10 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.25 3bk2 s LEU 281 CO 0.73 0.21 -0.12 -1.59 0.23 0.00 0.00 176.35 175.81 3bk2 s LYS 282 N -0.98 1.47 -0.12 1.70 0.00 -1.26 -4.51 119.74 116.03 3bk2 s LYS 282 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 55.97 55.66 3bk2 s LYS 282 Cb -0.09 -1.27 0.03 0.00 0.00 0.00 0.00 37.83 36.51 3bk2 s LYS 282 CO 0.01 0.07 -0.06 0.08 0.00 0.00 0.00 175.35 175.45 3bk2 s VAL 283 N 0.49 0.96 0.15 1.79 1.01 -1.26 -4.93 120.40 118.61 3bk2 s VAL 283 Ca -0.10 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3bk2 s VAL 283 Cb -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3bk2 s VAL 283 CO 0.02 0.29 1.55 0.11 0.00 0.00 0.00 175.10 177.08 3bk2 h LYS 284 N 8.18 -0.23 0.00 2.72 1.57 -2.00 -3.39 116.57 123.42 3bk2 h LYS 284 Ca -0.27 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3bk2 h LYS 284 Cb 1.13 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3bk2 h LYS 284 CO 0.39 -0.15 0.00 -3.47 -0.57 0.00 0.00 179.45 175.64 3bk2 n ASP 285 N -5.36 0.00 -3.94 0.86 -0.08 -1.26 -5.14 116.55 101.63 3bk2 n ASP 285 Ca -0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 3bk2 n ASP 285 Cb 0.33 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.74 3bk2 n ASP 285 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bk2 s ARG 286 N 1.43 1.47 0.06 -0.67 1.70 -1.26 -5.15 118.95 116.53 3bk2 s ARG 286 Ca 0.00 -1.16 -0.20 0.00 -0.47 0.00 0.00 55.73 53.90 3bk2 s ARG 286 Cb 0.00 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 34.79 3bk2 s ARG 286 CO 0.00 -0.61 0.58 -0.51 -1.08 0.00 0.00 175.30 173.68 3bk2 s LEU 287 N -2.98 4.50 0.45 -1.89 1.43 -1.26 -4.57 118.68 114.35 3bk2 s LEU 287 Ca 0.19 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.60 3bk2 s LEU 287 Cb -0.00 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 3bk2 s LEU 287 CO 0.06 0.23 0.17 -0.31 0.23 0.00 0.00 176.35 176.73 3bk2 s TYR 288 N -0.90 2.35 0.42 0.29 1.51 0.52 -5.01 117.35 116.53 3bk2 s TYR 288 Ca 0.30 -0.69 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 3bk2 s TYR 288 Cb -0.19 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 3bk2 s TYR 288 CO 0.19 0.13 0.52 0.95 -1.11 0.00 0.00 175.55 176.23 3bk2 s THR 289 N -2.68 2.92 0.12 -0.71 -4.23 -1.26 -4.16 115.64 105.64 3bk2 s THR 289 Ca 0.34 -1.08 -0.20 0.00 -1.18 0.00 0.00 61.69 59.57 3bk2 s THR 289 Cb 0.03 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.82 3bk2 s THR 289 CO 0.19 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 175.95 3bk2 h LEU 290 N 0.73 0.07 -0.88 4.79 3.38 -1.96 -2.71 115.31 118.75 3bk2 h LEU 290 Ca -0.40 0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.69 3bk2 h LEU 290 Cb 1.28 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 3bk2 h LEU 290 CO 0.48 0.07 0.51 -0.33 0.09 0.00 0.00 178.44 179.26 3bk2 h GLU 291 N 0.16 0.81 0.00 1.13 4.39 -1.95 -1.34 114.58 117.78 3bk2 h GLU 291 Ca 0.08 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3bk2 h GLU 291 Cb 0.05 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3bk2 h GLU 291 CO -0.09 0.53 -0.11 0.93 -1.16 0.00 0.00 179.01 179.11 3bk2 h GLU 292 N 0.83 0.00 -0.38 2.33 5.08 -1.88 -2.16 114.58 118.41 3bk2 h GLU 292 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3bk2 h GLU 292 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3bk2 h GLU 292 CO -0.26 0.11 0.00 1.33 -1.00 0.00 0.00 179.01 179.19 3bk2 n VAL 293 N -3.76 0.67 -0.33 3.13 0.24 -0.60 -4.74 118.33 112.94 3bk2 n VAL 293 Ca -0.02 -0.84 -0.09 0.00 -2.04 0.00 0.00 64.34 61.36 3bk2 n VAL 293 Cb 0.22 0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 33.29 3bk2 n VAL 293 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3bk2 n LYS 294 N 1.06 -0.35 -1.44 7.34 4.76 -0.63 -1.95 118.16 126.95 3bk2 n LYS 294 Ca 0.16 1.39 -0.34 0.00 -2.87 0.00 0.00 58.31 56.65 3bk2 n LYS 294 Cb 0.50 -2.05 0.06 0.00 -1.84 0.00 0.00 35.03 31.69 3bk2 n LYS 294 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3bk2 n ASP 295 N -4.78 7.47 -4.91 4.39 10.43 -1.26 -4.96 116.55 122.93 3bk2 n ASP 295 Ca 0.02 -3.69 -0.31 0.00 2.57 0.00 0.00 54.79 53.37 3bk2 n ASP 295 Cb 0.21 -1.03 -0.04 0.00 1.84 0.00 0.00 41.12 42.09 3bk2 n ASP 295 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3bk2 s LEU 296 N -3.58 4.30 0.50 0.64 1.43 -0.82 -5.05 118.68 116.10 3bk2 s LEU 296 Ca 0.58 0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 53.93 3bk2 s LEU 296 Cb 0.46 -3.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.41 3bk2 s LEU 296 CO -0.13 0.09 1.23 -2.65 0.23 0.00 0.00 176.35 175.12 3bk2 n PRO 297 N 0.14 1.61 -0.27 1.29 -0.02 -1.26 -4.86 135.00 131.63 3bk2 n PRO 297 Ca -0.03 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 3bk2 n PRO 297 Cb 0.51 -2.39 0.20 0.00 -0.02 0.00 0.00 33.50 31.81 3bk2 n PRO 297 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3bk2 h ASP 298 N 1.50 0.30 0.00 2.55 3.32 -1.94 -1.51 116.42 120.65 3bk2 h ASP 298 Ca -0.49 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3bk2 h ASP 298 Cb 1.31 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3bk2 h ASP 298 CO 0.57 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 3bk2 n HIS 299 N -5.00 0.00 -1.42 4.55 1.44 -1.26 -2.22 115.22 111.31 3bk2 n HIS 299 Ca 0.15 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.94 3bk2 n HIS 299 Cb 0.44 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.72 3bk2 n HIS 299 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3bk2 n GLN 300 N -0.86 1.35 -4.39 -1.40 6.02 -0.57 -4.74 117.38 112.79 3bk2 n GLN 300 Ca 0.11 -2.87 -0.23 0.00 -0.01 0.00 0.00 57.00 53.99 3bk2 n GLN 300 Cb 0.05 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 29.67 3bk2 n GLN 300 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3bk2 s VAL 301 N -2.86 0.90 -0.07 5.09 1.01 -1.08 -1.63 120.40 121.75 3bk2 s VAL 301 Ca 0.34 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3bk2 s VAL 301 Cb 0.32 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3bk2 s VAL 301 CO -0.03 0.31 -0.07 -0.22 0.00 0.00 0.00 175.10 175.08 3bk2 s LEU 302 N 0.81 1.32 -0.19 3.92 0.20 -0.89 -2.29 118.68 121.56 3bk2 s LEU 302 Ca -0.12 -0.23 -0.04 0.00 0.69 0.00 0.00 54.13 54.43 3bk2 s LEU 302 Cb -0.15 -0.68 -0.02 0.00 -0.43 0.00 0.00 46.19 44.91 3bk2 s LEU 302 CO 0.02 -0.06 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.35 3bk2 s ILE 303 N 1.14 3.64 -0.26 6.68 1.01 0.62 -1.01 121.20 133.02 3bk2 s ILE 303 Ca -0.06 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 3bk2 s ILE 303 Cb -0.14 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3bk2 s ILE 303 CO -0.01 0.45 0.14 -0.22 0.00 0.00 0.00 174.94 175.30 3bk2 s LEU 304 N 0.91 3.85 0.06 2.97 2.96 -0.14 0.06 118.68 129.36 3bk2 s LEU 304 Ca -0.00 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3bk2 s LEU 304 Cb -0.15 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 3bk2 s LEU 304 CO 0.01 -0.02 -0.02 0.00 -1.32 0.00 0.00 176.35 175.01 3bk2 s ALA 305 N 1.56 0.56 0.36 5.97 0.00 -0.17 -0.80 121.76 129.24 3bk2 s ALA 305 Ca 0.07 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 3bk2 s ALA 305 Cb -0.15 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.38 3bk2 s ALA 305 CO 0.07 -0.39 0.78 -0.08 0.00 0.00 0.00 175.76 176.15 3bk2 s THR 306 N -3.94 0.00 0.64 0.00 -1.32 -1.01 -2.93 115.64 107.08 3bk2 s THR 306 Ca 0.10 -0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 59.49 3bk2 s THR 306 Cb 0.08 -2.73 -0.00 0.00 -1.51 0.00 0.00 72.50 68.34 3bk2 s THR 306 CO -0.08 0.00 1.01 -0.83 -2.21 0.00 0.00 174.62 172.51 3bk2 s GLY 307 N -3.05 1.62 0.35 6.08 0.00 0.33 -4.36 107.32 108.30 3bk2 s GLY 307 Ca 0.15 -0.37 0.13 0.00 0.00 0.00 0.00 44.72 44.63 3bk2 s GLY 307 CO 0.11 -0.06 1.73 1.76 0.00 0.00 0.00 173.10 176.64 3bk2 h SER 308 N -0.40 0.58 -0.05 1.64 0.02 -1.94 0.58 113.55 113.98 3bk2 h SER 308 Ca -0.45 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3bk2 h SER 308 Cb 1.23 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3bk2 h SER 308 CO 0.63 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 3bk2 n GLN 309 N -4.80 1.44 0.00 3.45 1.13 -1.26 -3.70 117.38 113.63 3bk2 n GLN 309 Ca 0.27 -0.64 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 3bk2 n GLN 309 Cb 0.83 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.75 3bk2 n GLN 309 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bk2 n GLY 310 N 1.07 2.15 3.84 1.08 0.00 0.20 -5.01 105.19 108.51 3bk2 n GLY 310 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3bk2 n GLY 310 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bk2 s GLN 311 N -0.52 3.25 -0.09 1.61 -2.07 -1.26 -1.62 119.66 118.96 3bk2 s GLN 311 Ca 0.00 -0.39 -0.01 0.00 -1.82 0.00 0.00 55.36 53.13 3bk2 s GLN 311 Cb 0.00 -2.98 -0.05 0.00 -1.09 0.00 0.00 33.01 28.89 3bk2 s GLN 311 CO 0.00 0.67 1.22 -2.30 -1.32 0.00 0.00 175.29 173.56 3bk2 n PRO 312 N 1.13 0.51 0.00 9.60 -0.02 -1.26 0.12 135.00 145.08 3bk2 n PRO 312 Ca -0.12 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 3bk2 n PRO 312 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3bk2 n PRO 312 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3bk2 n SER 314 N 3.35 0.00 0.07 2.55 3.41 -1.26 -1.34 113.62 120.41 3bk2 n SER 314 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.60 3bk2 n SER 314 Cb 0.16 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 3bk2 n SER 314 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3bk2 h VAL 315 N 0.00 1.42 -0.47 -3.33 3.04 -1.81 -2.28 116.25 112.82 3bk2 h VAL 315 Ca 0.00 -2.47 -0.09 0.00 -1.01 0.00 0.00 66.70 63.13 3bk2 h VAL 315 Cb 0.00 2.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.68 3bk2 h VAL 315 CO 0.00 0.73 -0.05 -0.07 -1.01 0.00 0.00 177.57 177.17 3bk2 h LEU 316 N 0.21 0.85 -0.78 3.16 3.38 -1.59 -1.41 115.31 119.14 3bk2 h LEU 316 Ca -0.07 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 3bk2 h LEU 316 Cb 1.55 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 3bk2 h LEU 316 CO 0.16 0.99 0.16 -0.74 0.09 0.00 0.00 178.44 179.10 3bk2 h HIS 317 N 0.70 1.14 -0.25 1.13 2.76 -1.80 -1.56 115.15 117.27 3bk2 h HIS 317 Ca 0.13 -0.13 -0.20 0.00 -2.20 0.00 0.00 60.37 57.97 3bk2 h HIS 317 Cb 0.58 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3bk2 h HIS 317 CO 0.04 0.93 -0.61 0.00 -1.30 0.00 0.00 177.93 176.99 3bk2 h ARG 318 N 1.03 0.85 -0.01 5.26 3.08 -1.32 0.20 114.38 123.47 3bk2 h ARG 318 Ca 0.22 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 3bk2 h ARG 318 Cb 0.36 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3bk2 h ARG 318 CO 0.00 1.20 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.86 3bk2 h LEU 319 N 0.64 0.02 0.01 3.04 4.07 -1.07 0.21 115.31 122.22 3bk2 h LEU 319 Ca -0.00 -0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.62 3bk2 h LEU 319 Cb 1.22 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.90 3bk2 h LEU 319 CO 0.13 0.20 -2.02 0.00 -1.08 0.00 0.00 178.44 175.67 3bk2 n ALA 320 N -2.50 1.45 -1.97 1.53 0.00 -0.60 -4.53 120.51 113.88 3bk2 n ALA 320 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3bk2 n ALA 320 Cb 0.25 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3bk2 n ALA 320 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3bk2 n PHE 321 N -2.98 0.00 0.22 0.00 3.72 0.69 -4.85 117.46 114.25 3bk2 n PHE 321 Ca -0.25 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.29 3bk2 n PHE 321 Cb 1.09 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 40.23 3bk2 n PHE 321 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3bk2 h GLU 322 N 0.00 0.00 0.00 -1.08 9.09 -1.71 -3.47 114.58 117.41 3bk2 h GLU 322 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3bk2 h GLU 322 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3bk2 h GLU 322 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3bk2 n GLY 323 N -1.39 0.48 3.57 1.06 0.00 0.73 -5.04 105.19 104.60 3bk2 n GLY 323 Ca 0.03 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 3bk2 n GLY 323 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3bk2 s HIS 324 N -2.18 2.92 0.32 1.61 2.46 -1.22 -4.78 115.29 114.42 3bk2 s HIS 324 Ca 0.00 0.01 0.11 0.00 0.47 0.00 0.00 55.06 55.65 3bk2 s HIS 324 Cb 0.00 -1.71 0.52 0.00 -0.13 0.00 0.00 32.58 31.27 3bk2 s HIS 324 CO 0.00 0.32 1.71 0.00 -2.47 0.00 0.00 174.74 174.30 3bk2 h ALA 325 N 5.27 1.17 -0.14 1.58 0.00 -1.96 -3.42 119.26 121.76 3bk2 h ALA 325 Ca -0.48 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3bk2 h ALA 325 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3bk2 h ALA 325 CO 0.52 0.63 0.00 1.63 0.00 0.00 0.00 179.25 182.03 3bk2 n LYS 326 N -3.94 2.13 -3.63 0.00 4.76 -1.26 -5.23 118.16 110.99 3bk2 n LYS 326 Ca -0.01 -1.68 -0.08 0.00 -2.87 0.00 0.00 58.31 53.67 3bk2 n LYS 326 Cb 0.52 -1.47 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 3bk2 n LYS 326 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bk2 s ALA 328 N -1.84 -2.02 0.29 7.82 0.00 -1.26 -4.96 121.76 119.79 3bk2 s ALA 328 Ca 0.34 1.80 -0.29 0.00 0.00 0.00 0.00 51.96 53.81 3bk2 s ALA 328 Cb 0.20 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 3bk2 s ALA 328 CO 0.31 -0.22 1.03 0.42 0.00 0.00 0.00 175.76 177.30 3bk2 s ILE 329 N -0.03 3.76 0.06 0.00 -1.09 -1.26 -5.06 121.20 117.57 3bk2 s ILE 329 Ca 0.03 1.69 0.01 0.00 -2.23 0.00 0.00 60.65 60.15 3bk2 s ILE 329 Cb -0.04 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 3bk2 s ILE 329 CO -0.07 0.34 -0.05 -1.59 -1.23 0.00 0.00 174.94 172.34 3bk2 s LYS 330 N -1.55 0.61 0.23 2.79 -2.85 -1.26 -5.04 119.74 112.67 3bk2 s LYS 330 Ca 0.46 -1.04 -0.31 0.00 -1.00 0.00 0.00 55.97 54.08 3bk2 s LYS 330 Cb -0.28 -0.06 -0.14 0.00 -2.06 0.00 0.00 37.83 35.29 3bk2 s LYS 330 CO 0.35 -0.03 1.22 -2.30 0.10 0.00 0.00 175.35 174.69 3bk2 n PRO 331 N 0.64 1.57 0.00 1.78 -0.02 -1.24 -1.70 135.00 136.03 3bk2 n PRO 331 Ca -0.17 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3bk2 n PRO 331 Cb 0.58 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3bk2 n PRO 331 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bk2 n GLY 332 N 1.81 3.41 3.76 -1.23 0.00 -0.67 -4.97 105.19 107.30 3bk2 n GLY 332 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3bk2 n GLY 332 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bk2 s ASP 333 N -0.65 5.93 -0.17 1.61 1.01 -0.69 -4.24 116.67 119.48 3bk2 s ASP 333 Ca 0.00 2.52 -0.03 0.00 0.71 0.00 0.00 52.55 55.75 3bk2 s ASP 333 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 3bk2 s ASP 333 CO 0.00 -1.10 -0.04 -0.89 0.21 0.00 0.00 175.17 173.35 3bk2 s THR 334 N -1.41 3.69 -0.14 -1.27 2.01 -0.55 -0.71 115.64 117.27 3bk2 s THR 334 Ca 0.64 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.25 3bk2 s THR 334 Cb -0.34 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.54 3bk2 s THR 334 CO 0.42 0.47 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.93 3bk2 s VAL 335 N 0.67 2.24 -0.22 3.82 1.01 -0.42 0.12 120.40 127.63 3bk2 s VAL 335 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3bk2 s VAL 335 Cb -0.15 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.36 3bk2 s VAL 335 CO 0.02 0.54 -0.13 -0.63 0.00 0.00 0.00 175.10 174.90 3bk2 s ILE 336 N 0.72 2.40 -0.68 2.22 1.01 0.14 -0.60 121.20 126.42 3bk2 s ILE 336 Ca -0.09 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.27 3bk2 s ILE 336 Cb -0.16 -2.16 0.08 0.00 0.01 0.00 0.00 42.46 40.23 3bk2 s ILE 336 CO 0.01 0.32 0.96 -0.76 0.00 0.00 0.00 174.94 175.47 3bk2 s LEU 337 N 1.27 4.50 -0.83 2.97 1.02 -0.24 -1.34 118.68 126.03 3bk2 s LEU 337 Ca 0.01 -1.12 -0.02 0.00 0.02 0.00 0.00 54.13 53.02 3bk2 s LEU 337 Cb -0.16 -2.41 0.31 0.00 0.02 0.00 0.00 46.19 43.95 3bk2 s LEU 337 CO -0.08 -1.39 2.10 -0.24 0.02 0.00 0.00 176.35 176.76 3bk2 n SER 338 N 7.53 7.40 -3.60 2.29 2.88 0.24 -4.25 113.62 126.11 3bk2 n SER 338 Ca -0.02 -3.73 -0.06 0.00 -1.33 0.00 0.00 58.87 53.74 3bk2 n SER 338 Cb 0.46 -1.11 -0.02 0.00 -0.75 0.00 0.00 64.21 62.79 3bk2 n SER 338 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3bk2 s SER 339 N -0.91 -0.26 0.12 -3.46 1.04 -1.26 -4.61 113.70 104.37 3bk2 s SER 339 Ca 0.51 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.82 3bk2 s SER 339 Cb 0.40 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 3bk2 s SER 339 CO -0.35 -0.63 0.28 -0.94 0.98 0.00 0.00 173.24 172.58 3bk2 s SER 340 N -2.62 6.37 0.61 7.02 1.04 -1.26 -4.81 113.70 120.05 3bk2 s SER 340 Ca 0.08 0.30 -0.18 0.00 0.48 0.00 0.00 55.95 56.63 3bk2 s SER 340 Cb -0.01 -1.97 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 3bk2 s SER 340 CO -0.05 0.08 1.22 -2.84 0.98 0.00 0.00 173.24 172.63 3bk2 s PRO 341 N -2.90 2.84 0.41 4.02 0.02 -1.26 -4.97 135.00 133.16 3bk2 s PRO 341 Ca 0.36 1.84 -0.26 0.00 0.02 0.00 0.00 61.00 62.96 3bk2 s PRO 341 Cb -0.12 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 3bk2 s PRO 341 CO 0.28 -1.31 1.36 0.42 -0.33 0.00 0.00 177.00 177.41 3bk2 s ILE 342 N -1.63 2.41 -0.14 2.83 -1.09 -1.26 -4.84 121.20 117.48 3bk2 s ILE 342 Ca 0.77 0.37 -0.37 0.00 -2.23 0.00 0.00 60.65 59.20 3bk2 s ILE 342 Cb -0.31 -3.22 -0.14 0.00 -1.58 0.00 0.00 42.46 37.21 3bk2 s ILE 342 CO 0.35 0.06 1.76 -2.65 -1.23 0.00 0.00 174.94 173.23 3bk2 n PRO 343 N 0.10 1.67 0.00 2.79 -0.02 -1.26 -0.37 135.00 137.91 3bk2 n PRO 343 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3bk2 n PRO 343 Cb 0.43 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3bk2 n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bk2 n GLY 344 N 4.10 0.46 0.53 -1.23 0.00 -1.26 -4.77 105.19 103.02 3bk2 n GLY 344 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.31 3bk2 n GLY 344 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bk2 n ASN 345 N 0.00 2.34 -0.09 1.61 4.13 0.50 -4.51 115.26 119.24 3bk2 n ASN 345 Ca 0.00 -1.68 -0.09 0.00 1.68 0.00 0.00 54.58 54.49 3bk2 n ASN 345 Cb 0.00 -0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.12 3bk2 n ASN 345 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3bk2 h GLU 346 N 2.14 -0.29 -0.00 3.52 4.81 -1.89 0.14 114.58 123.00 3bk2 h GLU 346 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3bk2 h GLU 346 Cb 0.57 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3bk2 h GLU 346 CO 0.00 -0.20 -0.08 0.39 -0.73 0.00 0.00 179.01 178.40 3bk2 n GLU 347 N -5.42 0.15 0.09 1.92 1.02 -1.26 -2.14 120.64 115.01 3bk2 n GLU 347 Ca -0.00 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 3bk2 n GLU 347 Cb 0.34 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 3bk2 n GLU 347 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bk2 h ALA 348 N 3.14 0.22 -0.30 0.62 0.00 -1.50 -2.91 119.26 118.54 3bk2 h ALA 348 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 3bk2 h ALA 348 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3bk2 h ALA 348 CO 0.00 0.95 -0.23 0.28 0.00 0.00 0.00 179.25 180.26 3bk2 h VAL 349 N 0.10 1.30 -0.99 0.00 2.07 -0.41 -2.61 116.25 115.72 3bk2 h VAL 349 Ca -0.10 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.14 3bk2 h VAL 349 Cb 1.82 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 33.03 3bk2 h VAL 349 CO 0.18 0.44 0.63 0.78 0.02 0.00 0.00 177.57 179.62 3bk2 h ASN 350 N 0.43 0.97 -0.57 0.57 2.35 -1.44 0.18 115.58 118.08 3bk2 h ASN 350 Ca 0.06 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3bk2 h ASN 350 Cb 0.78 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3bk2 h ASN 350 CO 0.06 0.57 0.04 0.03 -1.65 0.00 0.00 177.43 176.47 3bk2 h ARG 351 N 1.07 1.01 -0.47 0.81 3.08 -1.40 -0.42 114.38 118.07 3bk2 h ARG 351 Ca 0.46 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3bk2 h ARG 351 Cb 0.32 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3bk2 h ARG 351 CO -0.22 0.97 0.18 0.28 -1.07 0.00 0.00 179.97 180.10 3bk2 h VAL 352 N 0.93 1.21 -0.52 2.04 2.07 -0.76 -1.24 116.25 119.99 3bk2 h VAL 352 Ca 0.18 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3bk2 h VAL 352 Cb 0.49 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3bk2 h VAL 352 CO 0.02 0.25 0.31 0.40 0.02 0.00 0.00 177.57 178.56 3bk2 h ILE 353 N 0.61 1.16 -0.43 4.57 2.04 -0.37 0.12 117.51 125.21 3bk2 h ILE 353 Ca 0.15 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.66 3bk2 h ILE 353 Cb 0.21 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3bk2 h ILE 353 CO -0.01 0.17 0.24 0.78 0.00 0.00 0.00 178.15 179.33 3bk2 h ASN 354 N 0.70 0.37 -0.12 1.72 2.35 -0.87 -1.38 115.58 118.35 3bk2 h ASN 354 Ca 0.19 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3bk2 h ASN 354 Cb 0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3bk2 h ASN 354 CO -0.03 0.26 -0.26 -0.09 -1.65 0.00 0.00 177.43 175.66 3bk2 h ARG 355 N 0.48 0.57 -0.44 0.81 9.65 -0.80 -1.76 114.38 122.88 3bk2 h ARG 355 Ca 0.18 -0.22 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 3bk2 h ARG 355 Cb 0.05 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3bk2 h ARG 355 CO -0.10 0.77 -0.12 -0.07 2.80 0.00 0.00 179.97 183.25 3bk2 h LEU 356 N 0.50 0.80 -0.49 3.80 3.38 -0.34 -1.95 115.31 121.01 3bk2 h LEU 356 Ca 0.07 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3bk2 h LEU 356 Cb 0.71 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3bk2 h LEU 356 CO 0.05 0.94 0.06 1.88 0.09 0.00 0.00 178.44 181.46 3bk2 h TYR 357 N 0.73 0.88 0.00 1.13 0.05 -1.03 -2.36 116.97 116.36 3bk2 h TYR 357 Ca 0.12 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3bk2 h TYR 357 Cb 0.62 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3bk2 h TYR 357 CO 0.03 0.81 0.00 0.00 -1.05 0.00 0.00 178.16 177.96 3bk2 h ALA 358 N 0.96 1.00 -0.01 3.88 0.00 -0.98 0.39 119.26 124.50 3bk2 h ALA 358 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bk2 h ALA 358 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bk2 h ALA 358 CO 0.01 0.00 -0.15 1.28 0.00 0.00 0.00 179.25 180.39 3bk2 n LEU 359 N -2.71 0.72 0.00 0.00 4.77 -0.76 -4.93 117.00 114.09 3bk2 n LEU 359 Ca -0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3bk2 n LEU 359 Cb 0.18 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3bk2 n LEU 359 CO 0.20 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3bk2 n GLY 360 N 1.29 0.94 3.92 -0.72 0.00 0.13 -3.68 105.19 107.07 3bk2 n GLY 360 Ca 0.14 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3bk2 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bk2 s ALA 361 N -2.00 3.73 -0.55 4.61 0.00 -1.05 -1.67 121.76 124.84 3bk2 s ALA 361 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 3bk2 s ALA 361 Cb 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 21.07 3bk2 s ALA 361 CO 0.00 0.28 0.73 0.71 0.00 0.00 0.00 175.76 177.48 3bk2 s TYR 362 N -2.03 2.95 -0.17 0.00 2.02 0.12 -4.38 117.35 115.86 3bk2 s TYR 362 Ca 0.41 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 56.43 3bk2 s TYR 362 Cb -0.11 -3.81 -0.05 0.00 -0.40 0.00 0.00 41.96 37.60 3bk2 s TYR 362 CO 0.31 -1.21 0.29 0.08 -1.57 0.00 0.00 175.55 173.45 3bk2 s VAL 363 N 3.03 5.30 -0.15 0.71 1.01 -1.26 -1.30 120.40 127.74 3bk2 s VAL 363 Ca 0.18 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.71 3bk2 s VAL 363 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3bk2 s VAL 363 CO 0.12 0.37 -0.19 -0.76 0.00 0.00 0.00 175.10 174.64 3bk2 s LEU 364 N 0.58 2.28 0.09 3.92 1.43 0.23 -4.98 118.68 122.24 3bk2 s LEU 364 Ca 0.16 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3bk2 s LEU 364 Cb -0.13 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3bk2 s LEU 364 CO 0.04 0.08 0.26 -0.72 0.23 0.00 0.00 176.35 176.24 3bk2 s TYR 365 N 0.83 0.02 0.38 0.29 1.13 -1.26 -1.08 117.35 117.66 3bk2 s TYR 365 Ca -0.06 -0.38 -0.09 0.00 -1.41 0.00 0.00 57.07 55.13 3bk2 s TYR 365 Cb -0.15 0.05 -0.06 0.00 -1.10 0.00 0.00 41.96 40.70 3bk2 s TYR 365 CO -0.01 -0.58 0.72 -1.25 -2.51 0.00 0.00 175.55 171.91 3bk2 s PRO 366 N -3.67 3.75 0.00 -3.49 0.04 -1.24 0.19 135.00 130.57 3bk2 s PRO 366 Ca 0.03 0.37 0.28 0.00 0.04 0.00 0.00 61.00 61.72 3bk2 s PRO 366 Cb 0.03 -2.45 1.05 0.00 0.04 0.00 0.00 34.50 33.17 3bk2 s PRO 366 CO -0.10 0.02 1.74 -0.35 0.04 0.00 0.00 177.00 178.35 3bk2 n PRO 367 N -1.21 1.25 -0.16 0.56 -0.04 -1.26 -4.83 135.00 129.32 3bk2 n PRO 367 Ca 0.01 -0.66 -0.03 0.00 -0.04 0.00 0.00 63.50 62.78 3bk2 n PRO 367 Cb 0.54 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 3bk2 n PRO 367 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3bk2 h THR 368 N 1.62 0.78 -3.84 0.52 2.02 -1.99 -3.40 112.91 108.62 3bk2 h THR 368 Ca 0.00 -0.10 -0.68 0.00 0.77 0.00 0.00 66.41 66.39 3bk2 h THR 368 Cb 0.45 0.45 -0.23 0.00 -1.74 0.00 0.00 68.15 67.08 3bk2 h THR 368 CO 0.00 0.05 -0.75 -0.31 0.37 0.00 0.00 175.52 174.88 3bk2 s TYR 369 N -6.13 2.77 -0.98 3.16 1.51 0.13 -5.01 117.35 112.80 3bk2 s TYR 369 Ca -0.13 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 3bk2 s TYR 369 Cb 0.15 -1.68 -0.14 0.00 -0.11 0.00 0.00 41.96 40.18 3bk2 s TYR 369 CO 0.73 0.15 2.96 1.17 -1.11 0.00 0.00 175.55 179.45 3bk2 n LYS 370 N 2.49 2.83 -0.43 -0.62 4.81 -1.26 -3.66 118.16 122.32 3bk2 n LYS 370 Ca -0.17 -1.65 0.09 0.00 -0.87 0.00 0.00 58.31 55.70 3bk2 n LYS 370 Cb 0.52 -2.46 0.30 0.00 0.02 0.00 0.00 35.03 33.41 3bk2 n LYS 370 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3bk2 n VAL 371 N 3.33 1.44 -3.60 3.15 0.24 -1.26 -4.72 118.33 116.91 3bk2 n VAL 371 Ca 0.60 -1.15 -0.16 0.00 -2.04 0.00 0.00 64.34 61.59 3bk2 n VAL 371 Cb 0.42 0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 3bk2 n VAL 371 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3bk2 s HIS 372 N -1.48 -0.56 -0.01 6.34 5.65 -1.26 -4.50 115.29 119.46 3bk2 s HIS 372 Ca 0.44 1.05 0.01 0.00 0.25 0.00 0.00 55.06 56.81 3bk2 s HIS 372 Cb 0.26 0.31 0.00 0.00 -1.18 0.00 0.00 32.58 31.97 3bk2 s HIS 372 CO 0.24 -0.51 -0.02 0.00 -0.65 0.00 0.00 174.74 173.80 3bk2 s ALA 373 N -0.91 0.28 0.73 1.58 0.00 -1.26 -5.02 121.76 117.16 3bk2 s ALA 373 Ca -0.09 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 3bk2 s ALA 373 Cb -0.02 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.01 3bk2 s ALA 373 CO 0.07 0.03 1.25 0.45 0.00 0.00 0.00 175.76 177.56 3bk2 s SER 374 N 0.20 4.06 -0.08 0.00 0.15 -1.26 -4.91 113.70 111.86 3bk2 s SER 374 Ca -0.02 2.50 0.19 0.00 0.70 0.00 0.00 55.95 59.32 3bk2 s SER 374 Cb -0.04 -2.60 0.69 0.00 -1.71 0.00 0.00 66.02 62.35 3bk2 s SER 374 CO -0.00 -2.36 1.59 0.61 1.20 0.00 0.00 173.24 174.27 3bk2 n GLY 375 N 0.70 2.56 3.38 9.45 0.00 -1.26 -4.86 105.19 115.17 3bk2 n GLY 375 Ca 0.15 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 3bk2 n GLY 375 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bk2 s HIS 376 N -1.64 2.31 0.29 1.61 3.76 -1.26 -3.75 115.29 116.61 3bk2 s HIS 376 Ca 0.50 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.73 3bk2 s HIS 376 Cb 0.30 -1.26 -0.10 0.00 1.11 0.00 0.00 32.58 32.63 3bk2 s HIS 376 CO 0.26 0.31 1.31 0.00 -0.85 0.00 0.00 174.74 175.78 3bk2 s ALA 377 N -1.03 3.52 0.59 -1.40 0.00 0.12 -4.69 121.76 118.86 3bk2 s ALA 377 Ca 0.14 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3bk2 s ALA 377 Cb -0.10 -3.48 0.10 0.00 0.00 0.00 0.00 23.12 19.64 3bk2 s ALA 377 CO 0.05 -0.61 0.70 0.43 0.00 0.00 0.00 175.76 176.34 3bk2 n SER 378 N 1.35 1.14 -0.33 0.00 7.64 -1.26 -3.96 113.62 118.19 3bk2 n SER 378 Ca 0.02 -1.91 0.11 0.00 1.01 0.00 0.00 58.87 58.09 3bk2 n SER 378 Cb 0.42 -0.44 0.28 0.00 -1.01 0.00 0.00 64.21 63.47 3bk2 n SER 378 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3bk2 h GLN 379 N 0.00 0.70 -0.36 1.43 4.20 -0.84 -1.26 115.11 118.98 3bk2 h GLN 379 Ca -0.23 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 3bk2 h GLN 379 Cb 0.91 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3bk2 h GLN 379 CO 0.27 0.46 -0.12 0.93 -0.67 0.00 0.00 178.83 179.70 3bk2 h GLU 380 N 0.72 0.63 -0.17 1.46 4.39 -1.28 0.39 114.58 120.72 3bk2 h GLU 380 Ca 0.54 -0.20 -0.17 0.00 0.34 0.00 0.00 59.36 59.87 3bk2 h GLU 380 Cb 0.80 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3bk2 h GLU 380 CO -0.38 0.73 -0.59 0.93 -1.16 0.00 0.00 179.01 178.54 3bk2 h GLU 381 N 0.58 0.57 -0.36 2.33 5.08 -1.49 -2.46 114.58 118.82 3bk2 h GLU 381 Ca 0.10 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 3bk2 h GLU 381 Cb 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3bk2 h GLU 381 CO 0.03 1.00 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.69 3bk2 h LEU 382 N 0.43 0.87 -1.21 1.33 3.38 -0.88 -2.30 115.31 116.93 3bk2 h LEU 382 Ca -0.00 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 3bk2 h LEU 382 Cb 1.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3bk2 h LEU 382 CO 0.11 1.13 0.05 0.11 0.09 0.00 0.00 178.44 179.94 3bk2 h LYS 383 N 0.62 0.60 -0.22 1.13 1.57 -0.92 0.19 116.57 119.54 3bk2 h LYS 383 Ca 0.07 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3bk2 h LYS 383 Cb 0.85 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3bk2 h LYS 383 CO 0.07 0.59 0.09 1.25 -0.57 0.00 0.00 179.45 180.88 3bk2 h LEU 384 N 0.58 0.30 -0.96 2.94 5.85 -1.25 -0.02 115.31 122.77 3bk2 h LEU 384 Ca 0.13 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3bk2 h LEU 384 Cb 0.29 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3bk2 h LEU 384 CO 0.00 0.39 0.24 0.40 -0.34 0.00 0.00 178.44 179.13 3bk2 h ILE 385 N 0.20 1.24 -0.56 4.05 1.08 -0.85 -0.04 117.51 122.63 3bk2 h ILE 385 Ca 0.07 -0.78 -0.03 0.00 -0.39 0.00 0.00 64.86 63.73 3bk2 h ILE 385 Cb 0.18 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 3bk2 h ILE 385 CO -0.01 0.31 0.23 -0.07 -0.69 0.00 0.00 178.15 177.93 3bk2 h LEU 386 N 0.97 0.76 -0.74 1.44 3.38 -0.24 -1.55 115.31 119.33 3bk2 h LEU 386 Ca 0.22 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3bk2 h LEU 386 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3bk2 h LEU 386 CO -0.01 0.71 -0.44 0.78 0.09 0.00 0.00 178.44 179.57 3bk2 h ASN 387 N 0.76 0.00 0.13 -0.43 2.35 -0.68 0.30 115.58 118.01 3bk2 h ASN 387 Ca 0.19 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.78 3bk2 h ASN 387 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3bk2 h ASN 387 CO -0.02 0.44 -0.58 0.25 -1.65 0.00 0.00 177.43 175.87 3bk2 h LEU 388 N 0.00 0.53 0.00 1.61 5.85 -0.68 -3.35 115.31 119.26 3bk2 h LEU 388 Ca -0.00 -0.29 -0.29 0.00 0.84 0.00 0.00 57.88 58.14 3bk2 h LEU 388 Cb 1.02 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 3bk2 h LEU 388 CO 0.06 0.99 -2.21 0.35 -0.34 0.00 0.00 178.44 177.28 3bk2 n THR 389 N -3.93 1.07 -3.71 1.05 -2.24 -0.61 -3.95 114.28 101.97 3bk2 n THR 389 Ca -0.03 -0.73 -0.24 0.00 -2.27 0.00 0.00 64.05 60.77 3bk2 n THR 389 Cb 0.62 -0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 3bk2 n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3bk2 n THR 390 N -2.61 -1.81 -2.08 4.28 -2.24 0.11 -4.22 114.28 105.70 3bk2 n THR 390 Ca -0.26 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 3bk2 n THR 390 Cb 1.01 -1.57 0.02 0.00 -2.10 0.00 0.00 70.33 67.69 3bk2 n THR 390 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3bk2 s PRO 391 N -5.50 3.19 0.02 -0.78 0.04 -1.26 -4.58 135.00 126.13 3bk2 s PRO 391 Ca 0.19 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 3bk2 s PRO 391 Cb -0.10 -1.99 -0.31 0.00 0.04 0.00 0.00 34.50 32.13 3bk2 s PRO 391 CO 0.60 -0.96 1.02 -0.09 0.04 0.00 0.00 177.00 177.62 3bk2 h ARG 392 N 0.75 0.51 -6.80 4.56 2.43 -1.33 -3.38 114.38 111.12 3bk2 h ARG 392 Ca -0.49 -0.76 -0.68 0.00 -0.81 0.00 0.00 59.98 57.25 3bk2 h ARG 392 Cb 1.25 0.27 -0.20 0.00 -0.42 0.00 0.00 29.97 30.86 3bk2 h ARG 392 CO 0.56 1.35 -0.84 -0.06 -1.51 0.00 0.00 179.97 179.47 3bk2 s PHE 393 N -2.76 2.40 -0.01 2.20 0.08 0.20 0.94 117.98 121.03 3bk2 s PHE 393 Ca -0.11 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.63 3bk2 s PHE 393 Cb 0.04 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 3bk2 s PHE 393 CO 0.91 0.38 -0.05 0.12 -0.10 0.00 0.00 175.22 176.47 3bk2 s PHE 394 N -1.17 0.55 -0.37 0.36 5.36 -0.98 -1.41 117.98 120.32 3bk2 s PHE 394 Ca 0.16 -0.11 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 3bk2 s PHE 394 Cb -0.10 -0.39 0.14 0.00 -0.34 0.00 0.00 43.02 42.33 3bk2 s PHE 394 CO 0.08 -0.04 0.22 -1.17 -1.46 0.00 0.00 175.22 172.85 3bk2 s LEU 395 N 0.09 1.31 0.40 6.12 2.96 0.06 -1.68 118.68 127.94 3bk2 s LEU 395 Ca -0.01 -2.30 -0.27 0.00 -0.22 0.00 0.00 54.13 51.33 3bk2 s LEU 395 Cb -0.05 -0.52 -0.10 0.00 0.50 0.00 0.00 46.19 46.02 3bk2 s LEU 395 CO -0.00 -0.30 1.46 -2.84 -1.32 0.00 0.00 176.35 173.35 3bk2 s PRO 396 N 0.90 3.98 0.20 0.98 0.02 -1.26 -3.28 135.00 136.54 3bk2 s PRO 396 Ca 0.18 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.67 3bk2 s PRO 396 Cb -0.22 -2.87 -0.03 0.00 0.02 0.00 0.00 34.50 31.40 3bk2 s PRO 396 CO 0.00 -0.62 0.21 -0.46 -0.33 0.00 0.00 177.00 175.80 3bk2 s TRP 397 N -1.15 0.89 -0.92 6.54 -0.00 -0.47 -4.30 118.94 119.52 3bk2 s TRP 397 Ca 0.55 -1.17 -0.01 0.00 -0.00 0.00 0.00 56.10 55.47 3bk2 s TRP 397 Cb -0.45 -0.35 -0.02 0.00 -0.00 0.00 0.00 33.47 32.65 3bk2 s TRP 397 CO 0.61 -0.71 0.78 1.58 -0.00 0.00 0.00 176.95 179.21 3bk2 n HIS 398 N -0.27 -1.82 0.00 5.86 -0.00 -1.00 -1.00 115.22 116.99 3bk2 n HIS 398 Ca -0.00 0.73 0.00 0.00 0.46 0.00 0.00 57.72 58.91 3bk2 n HIS 398 Cb 0.65 -4.27 0.00 0.00 -0.12 0.00 0.00 29.99 26.25 3bk2 n HIS 398 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3bk2 n GLY 399 N -1.16 0.73 3.79 1.57 0.00 -0.83 -2.45 105.19 106.83 3bk2 n GLY 399 Ca -0.18 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3bk2 n GLY 399 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bk2 s GLU 400 N -2.00 0.31 0.29 1.61 2.02 -1.26 -1.85 118.70 117.83 3bk2 s GLU 400 Ca 0.00 -0.07 0.04 0.00 0.02 0.00 0.00 54.97 54.96 3bk2 s GLU 400 Cb 0.00 -1.78 0.68 0.00 0.10 0.00 0.00 34.13 33.13 3bk2 s GLU 400 CO 0.00 -2.69 1.79 0.28 0.02 0.00 0.00 175.26 174.66 3bk2 h VAL 401 N -1.84 0.76 -0.39 2.63 2.07 -1.97 -0.04 116.25 117.47 3bk2 h VAL 401 Ca -0.47 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 3bk2 h VAL 401 Cb 1.29 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3bk2 h VAL 401 CO 0.46 0.15 -0.18 0.08 0.02 0.00 0.00 177.57 178.09 3bk2 h ARG 402 N 0.81 0.74 0.02 1.57 0.11 -1.97 -2.97 114.38 112.69 3bk2 h ARG 402 Ca 0.55 -0.28 -0.00 0.00 0.10 0.00 0.00 59.98 60.35 3bk2 h ARG 402 Cb 0.78 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3bk2 h ARG 402 CO -0.35 0.87 -0.01 0.45 0.10 0.00 0.00 179.97 181.03 3bk2 h HIS 403 N 0.65 -0.02 0.00 4.08 3.86 -1.52 -0.24 115.15 121.97 3bk2 h HIS 403 Ca 0.10 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3bk2 h HIS 403 Cb 0.67 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.15 3bk2 h HIS 403 CO 0.03 0.25 0.00 1.04 0.86 0.00 0.00 177.93 180.11 3bk2 n GLN 404 N -4.97 0.00 0.00 2.45 6.02 -0.15 -1.36 117.38 119.37 3bk2 n GLN 404 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3bk2 n GLN 404 Cb 0.16 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.40 3bk2 n GLN 404 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3bk2 n ASN 406 N 0.53 0.00 0.04 1.08 4.13 -0.10 -1.49 115.26 119.46 3bk2 n ASN 406 Ca 0.00 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.12 3bk2 n ASN 406 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 3bk2 n ASN 406 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3bk2 h PHE 407 N 0.00 0.72 -0.28 3.10 3.04 -1.47 -1.49 116.94 120.56 3bk2 h PHE 407 Ca 0.00 -0.35 -0.01 0.00 3.98 0.00 0.00 57.97 61.58 3bk2 h PHE 407 Cb 0.00 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 3bk2 h PHE 407 CO 0.00 1.16 0.13 -0.22 -2.02 0.00 0.00 178.31 177.36 3bk2 h LYS 408 N 0.31 0.40 -0.61 1.11 3.64 -1.52 0.42 116.57 120.33 3bk2 h LYS 408 Ca -0.07 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3bk2 h LYS 408 Cb 1.48 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 3bk2 h LYS 408 CO 0.16 0.40 0.24 -1.49 -2.27 0.00 0.00 179.45 176.49 3bk2 h TRP 409 N 0.31 0.88 -0.29 1.91 6.55 -1.82 -0.32 115.95 123.17 3bk2 h TRP 409 Ca 0.10 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 59.87 3bk2 h TRP 409 Cb 0.13 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 3bk2 h TRP 409 CO -0.02 0.68 0.10 1.25 -1.05 0.00 0.00 178.44 179.41 3bk2 h LEU 410 N 0.87 0.42 -0.86 -4.49 5.85 -0.83 -2.73 115.31 113.54 3bk2 h LEU 410 Ca 0.21 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3bk2 h LEU 410 Cb 0.17 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3bk2 h LEU 410 CO -0.02 0.49 0.23 0.00 -0.34 0.00 0.00 178.44 178.80 3bk2 h ALA 411 N 0.94 1.08 0.00 1.25 0.00 -0.45 -2.47 119.26 119.61 3bk2 h ALA 411 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bk2 h ALA 411 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3bk2 h ALA 411 CO -0.01 0.63 0.00 0.39 0.00 0.00 0.00 179.25 180.27 3bk2 n GLU 412 N -4.26 0.11 -2.70 0.00 1.02 -0.17 -4.47 120.64 110.16 3bk2 n GLU 412 Ca 0.06 0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 57.19 3bk2 n GLU 412 Cb 0.22 -1.73 0.02 0.00 -0.02 0.00 0.00 31.44 29.92 3bk2 n GLU 412 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3bk2 n SER 413 N -1.95 7.14 -0.02 1.62 3.41 -0.93 -4.83 113.62 118.07 3bk2 n SER 413 Ca 0.02 -3.65 -0.22 0.00 -0.26 0.00 0.00 58.87 54.76 3bk2 n SER 413 Cb 0.16 -1.17 -0.13 0.00 -0.26 0.00 0.00 64.21 62.81 3bk2 n SER 413 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3bk2 h SER 415 N 4.36 0.32 -2.91 4.04 0.02 -1.97 -3.50 113.55 113.91 3bk2 h SER 415 Ca 0.48 -0.82 -0.61 0.00 -0.84 0.00 0.00 61.79 60.00 3bk2 h SER 415 Cb 0.37 -0.10 -0.41 0.00 0.14 0.00 0.00 62.40 62.40 3bk2 h SER 415 CO 1.19 1.68 -0.68 -0.13 -1.14 0.00 0.00 176.83 177.75 3bk2 s ARG 416 N -2.48 2.04 0.75 3.45 1.81 -1.26 -5.11 118.95 118.14 3bk2 s ARG 416 Ca -0.23 -3.01 -0.15 0.00 -1.72 0.00 0.00 55.73 50.62 3bk2 s ARG 416 Cb 0.06 -2.87 0.01 0.00 -0.45 0.00 0.00 34.95 31.69 3bk2 s ARG 416 CO 0.73 -1.31 0.88 -2.30 -0.68 0.00 0.00 175.30 172.61 3bk2 n PRO 417 N 2.21 0.36 -1.69 3.54 -0.02 -1.26 -4.84 135.00 133.30 3bk2 n PRO 417 Ca 0.22 0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 3bk2 n PRO 417 Cb 0.38 -2.15 0.07 0.00 -0.02 0.00 0.00 33.50 31.78 3bk2 n PRO 417 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3bk2 s PRO 418 N -3.36 2.52 0.18 0.52 0.02 -1.26 -4.90 135.00 128.72 3bk2 s PRO 418 Ca 0.71 1.78 -0.14 0.00 0.02 0.00 0.00 61.00 63.37 3bk2 s PRO 418 Cb -0.33 -1.88 0.08 0.00 0.02 0.00 0.00 34.50 32.39 3bk2 s PRO 418 CO 0.53 -1.55 1.84 1.49 -0.33 0.00 0.00 177.00 178.99 3bk2 h GLU 419 N 0.22 0.71 -2.83 5.54 4.81 0.34 -3.44 114.58 119.94 3bk2 h GLU 419 Ca -0.49 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.57 3bk2 h GLU 419 Cb 1.30 -0.16 -0.23 0.00 0.63 0.00 0.00 28.75 30.28 3bk2 h GLU 419 CO 0.52 0.47 -0.26 0.21 -0.73 0.00 0.00 179.01 179.23 3bk2 s LYS 420 N -6.15 0.50 -0.09 1.92 2.20 -1.22 -5.08 119.74 111.82 3bk2 s LYS 420 Ca -0.13 0.40 0.04 0.00 -0.36 0.00 0.00 55.97 55.92 3bk2 s LYS 420 Cb 0.13 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 3bk2 s LYS 420 CO 0.75 -0.08 -0.21 0.99 -0.36 0.00 0.00 175.35 176.44 3bk2 s THR 421 N -0.09 1.82 0.04 3.43 2.01 -1.26 -2.32 115.64 119.26 3bk2 s THR 421 Ca -0.03 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.14 3bk2 s THR 421 Cb -0.03 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 3bk2 s THR 421 CO 0.01 0.51 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.60 3bk2 s LEU 422 N 0.42 3.04 -0.51 4.42 1.43 -0.68 -4.99 118.68 121.82 3bk2 s LEU 422 Ca -0.18 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 3bk2 s LEU 422 Cb -0.17 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.33 3bk2 s LEU 422 CO 0.08 0.25 0.64 -0.63 0.23 0.00 0.00 176.35 176.91 3bk2 s ILE 423 N -1.04 4.86 0.49 -0.59 -1.09 -1.26 -4.02 121.20 118.56 3bk2 s ILE 423 Ca 0.18 -0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 57.90 3bk2 s ILE 423 Cb -0.11 -4.31 -0.07 0.00 -1.58 0.00 0.00 42.46 36.39 3bk2 s ILE 423 CO 0.09 -0.82 1.17 -0.83 -1.23 0.00 0.00 174.94 173.32 3bk2 s GLY 424 N 2.72 2.74 0.10 6.18 0.00 -1.26 -5.06 107.32 112.74 3bk2 s GLY 424 Ca 0.15 0.93 0.06 0.00 0.00 0.00 0.00 44.72 45.86 3bk2 s GLY 424 CO 0.12 1.36 -0.15 -0.54 0.00 0.00 0.00 173.10 173.89 3bk2 s GLU 425 N -2.90 0.96 0.23 2.90 2.02 -1.26 -3.94 118.70 116.71 3bk2 s GLU 425 Ca 0.67 -1.13 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 3bk2 s GLU 425 Cb -0.28 -0.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.93 3bk2 s GLU 425 CO 0.33 0.19 1.24 -0.80 0.02 0.00 0.00 175.26 176.25 3bk2 s ASN 426 N -2.14 6.99 0.00 -0.19 0.01 -1.26 -2.89 114.94 115.45 3bk2 s ASN 426 Ca 0.05 2.39 0.00 0.00 -0.71 0.00 0.00 52.86 54.59 3bk2 s ASN 426 Cb -0.07 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3bk2 s ASN 426 CO 0.03 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 3bk2 n GLY 427 N 1.82 2.03 3.82 0.66 0.00 0.25 -4.96 105.19 108.82 3bk2 n GLY 427 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3bk2 n GLY 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bk2 s ALA 428 N -2.51 3.03 -0.27 4.61 0.00 -1.14 -0.78 121.76 124.71 3bk2 s ALA 428 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 3bk2 s ALA 428 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.99 3bk2 s ALA 428 CO 0.00 0.01 -0.01 0.08 0.00 0.00 0.00 175.76 175.84 3bk2 s VAL 429 N -2.28 3.25 -0.15 0.00 1.01 -0.04 -3.84 120.40 118.36 3bk2 s VAL 429 Ca 0.62 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3bk2 s VAL 429 Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3bk2 s VAL 429 CO 0.18 0.12 0.07 -0.31 0.00 0.00 0.00 175.10 175.16 3bk2 s TYR 430 N 1.38 3.30 -0.21 5.22 2.02 -0.02 -0.37 117.35 128.67 3bk2 s TYR 430 Ca 0.00 0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.81 3bk2 s TYR 430 Cb -0.17 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 3bk2 s TYR 430 CO -0.02 0.32 0.05 0.50 -1.57 0.00 0.00 175.55 174.83 3bk2 s ARG 431 N -0.11 3.80 -0.14 -0.62 3.52 0.29 -0.78 118.95 124.91 3bk2 s ARG 431 Ca 0.07 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.26 3bk2 s ARG 431 Cb -0.12 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3bk2 s ARG 431 CO 0.01 0.07 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.22 3bk2 s LEU 432 N 0.91 2.36 0.00 -0.88 2.96 0.66 -1.86 118.68 122.82 3bk2 s LEU 432 Ca 0.03 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3bk2 s LEU 432 Cb -0.14 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3bk2 s LEU 432 CO 0.02 0.10 0.03 0.35 -1.32 0.00 0.00 176.35 175.53 3bk2 n THR 433 N 3.96 0.00 0.25 3.68 -2.24 0.15 -0.59 114.28 119.49 3bk2 n THR 433 Ca -0.19 -1.58 0.13 0.00 -2.27 0.00 0.00 64.05 60.14 3bk2 n THR 433 Cb 0.52 0.39 0.56 0.00 -2.10 0.00 0.00 70.33 69.70 3bk2 n THR 433 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3bk2 h ARG 434 N 0.00 0.00 0.00 -0.78 3.08 -1.84 -3.28 114.38 111.56 3bk2 h ARG 434 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3bk2 h ARG 434 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3bk2 h ARG 434 CO 0.42 0.12 -0.13 0.39 -1.07 0.00 0.00 179.97 179.70 3bk2 n GLU 435 N -3.26 6.11 -4.20 0.04 -0.58 -1.26 -5.08 120.64 112.42 3bk2 n GLU 435 Ca 0.00 -0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.63 3bk2 n GLU 435 Cb 0.37 -0.58 -0.10 0.00 -0.57 0.00 0.00 31.44 30.56 3bk2 n GLU 435 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3bk2 s THR 436 N -1.17 0.51 -0.26 2.62 -4.23 -1.24 -5.14 115.64 106.74 3bk2 s THR 436 Ca 0.00 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 3bk2 s THR 436 Cb 0.01 -1.98 0.12 0.00 1.34 0.00 0.00 72.50 71.98 3bk2 s THR 436 CO 0.03 -0.58 0.55 0.12 -0.54 0.00 0.00 174.62 174.20 3bk2 s PHE 437 N -3.76 -1.15 -0.03 3.99 5.36 -1.25 -0.67 117.98 120.47 3bk2 s PHE 437 Ca 0.21 1.93 -0.29 0.00 -0.96 0.00 0.00 56.93 57.81 3bk2 s PHE 437 Cb 0.06 0.57 0.08 0.00 -0.34 0.00 0.00 43.02 43.40 3bk2 s PHE 437 CO 0.01 -0.62 0.73 -1.83 -1.46 0.00 0.00 175.22 172.05 3bk2 s GLU 438 N 2.78 1.00 -0.03 10.12 -1.05 -0.78 -4.98 118.70 125.76 3bk2 s GLU 438 Ca -0.01 0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.57 3bk2 s GLU 438 Cb -0.12 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 3bk2 s GLU 438 CO -0.17 -0.35 1.16 0.21 0.95 0.00 0.00 175.26 177.06 3bk2 s LYS 439 N -1.80 4.39 0.00 -4.83 2.20 -1.26 -0.55 119.74 117.90 3bk2 s LYS 439 Ca -0.06 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 3bk2 s LYS 439 Cb -0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 3bk2 s LYS 439 CO 0.03 -0.36 0.56 1.33 -0.36 0.00 0.00 175.35 176.54 3bk2 n VAL 440 N 4.42 0.15 -3.21 4.02 0.24 0.50 -4.94 118.33 119.52 3bk2 n VAL 440 Ca 0.10 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3bk2 n VAL 440 Cb 0.47 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 3bk2 n VAL 440 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bk2 n GLY 441 N -0.07 -1.17 3.23 7.63 0.00 -1.21 -4.99 105.19 108.60 3bk2 n GLY 441 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3bk2 n GLY 441 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bk2 s GLU 442 N -0.41 0.94 0.06 1.61 2.02 -1.26 -0.86 118.70 120.80 3bk2 s GLU 442 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.84 3bk2 s GLU 442 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 3bk2 s GLU 442 CO 0.00 -0.30 -0.05 0.14 0.02 0.00 0.00 175.26 175.07 3bk2 s VAL 443 N -3.94 0.37 0.11 2.63 -7.23 0.04 -4.90 120.40 107.49 3bk2 s VAL 443 Ca 0.13 -1.60 -0.36 0.00 -1.81 0.00 0.00 61.98 58.34 3bk2 s VAL 443 Cb 0.05 -1.24 -0.16 0.00 0.56 0.00 0.00 36.38 35.60 3bk2 s VAL 443 CO -0.05 -0.80 1.41 -2.65 -0.31 0.00 0.00 175.10 172.70 3bk2 n PRO 444 N 0.49 1.45 -4.01 4.82 -0.02 -1.26 -4.74 135.00 131.73 3bk2 n PRO 444 Ca -0.16 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 3bk2 n PRO 444 Cb 0.59 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3bk2 n PRO 444 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3bk2 s HIS 445 N 0.59 0.46 -5.00 6.00 -3.43 -1.26 -4.55 115.29 108.10 3bk2 s HIS 445 Ca 0.82 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 3bk2 s HIS 445 Cb -0.87 0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.33 3bk2 s HIS 445 CO 0.44 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.70 3bk2 n GLY 446 N -0.33 0.14 3.30 -1.38 0.00 -1.26 -4.95 105.19 100.70 3bk2 n GLY 446 Ca -0.02 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 3bk2 n GLY 446 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bk2 s VAL 447 N -3.59 1.22 -0.03 1.61 0.11 -1.26 -1.10 120.40 117.36 3bk2 s VAL 447 Ca 0.00 -2.07 0.03 0.00 -2.93 0.00 0.00 61.98 57.01 3bk2 s VAL 447 Cb 0.00 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.78 3bk2 s VAL 447 CO 0.00 -0.56 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.33 3bk2 s LEU 448 N -3.25 1.84 -0.08 2.54 1.43 0.06 -4.76 118.68 116.46 3bk2 s LEU 448 Ca 0.22 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 3bk2 s LEU 448 Cb 0.03 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 3bk2 s LEU 448 CO 0.05 0.10 0.34 -0.31 0.23 0.00 0.00 176.35 176.76 3bk2 s TYR 449 N 0.12 3.61 -0.09 0.29 1.51 -1.26 -1.82 117.35 119.72 3bk2 s TYR 449 Ca -0.03 0.80 0.03 0.00 -1.01 0.00 0.00 57.07 56.86 3bk2 s TYR 449 Cb -0.09 -2.27 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3bk2 s TYR 449 CO 0.01 0.50 -0.18 0.08 -1.11 0.00 0.00 175.55 174.85 3bk2 s VAL 450 N -0.47 1.60 0.27 0.71 1.01 -0.21 -0.57 120.40 122.75 3bk2 s VAL 450 Ca 0.21 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3bk2 s VAL 450 Cb -0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3bk2 s VAL 450 CO 0.09 0.46 0.10 -0.90 0.00 0.00 0.00 175.10 174.85 3bk2 n ASP 451 N 3.79 1.07 -0.25 3.32 5.68 -1.07 0.92 116.55 130.00 3bk2 n ASP 451 Ca -0.21 -2.45 0.06 0.00 -0.50 0.00 0.00 54.79 51.69 3bk2 n ASP 451 Cb 0.52 0.71 0.18 0.00 -1.14 0.00 0.00 41.12 41.38 3bk2 n ASP 451 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3bk2 h GLY 452 N 1.10 0.95 -1.82 6.12 0.00 -1.99 -1.16 103.07 106.26 3bk2 h GLY 452 Ca -0.21 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3bk2 h GLY 452 CO 0.33 -0.26 0.00 1.04 0.00 0.00 0.00 176.54 177.65 3bk2 n LEU 453 N -5.26 1.41 0.00 3.11 4.77 -1.26 -4.93 117.00 114.85 3bk2 n LEU 453 Ca 0.14 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3bk2 n LEU 453 Cb 0.48 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3bk2 n LEU 453 CO 0.08 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3bk2 n GLY 454 N 0.65 -2.72 3.77 -0.72 0.00 -0.44 -4.66 105.19 101.06 3bk2 n GLY 454 Ca 0.00 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3bk2 n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bk2 s VAL 455 N -0.71 4.21 0.00 1.61 0.11 -1.26 -2.61 120.40 121.74 3bk2 s VAL 455 Ca 0.00 1.86 0.00 0.00 -2.93 0.00 0.00 61.98 60.91 3bk2 s VAL 455 Cb 0.00 -4.11 0.00 0.00 -1.53 0.00 0.00 36.38 30.74 3bk2 s VAL 455 CO 0.00 0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 3bk2 n GLY 456 N 0.96 2.57 0.38 6.54 0.00 0.27 -4.86 105.19 111.04 3bk2 n GLY 456 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 3bk2 n GLY 456 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3bk2 h ASP 457 N 0.00 0.00 -4.30 1.61 -0.00 -1.71 -3.36 116.42 108.66 3bk2 h ASP 457 Ca 0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 57.03 56.34 3bk2 h ASP 457 Cb 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 39.33 39.03 3bk2 h ASP 457 CO 0.00 0.00 -0.88 -0.63 -0.00 0.00 0.00 179.24 177.73 3bk2 s ILE 458 N -4.51 2.14 0.30 2.25 -1.09 -1.26 -5.08 121.20 113.96 3bk2 s ILE 458 Ca -0.04 -1.06 0.04 0.00 -2.23 0.00 0.00 60.65 57.36 3bk2 s ILE 458 Cb 0.14 -1.76 -0.06 0.00 -1.58 0.00 0.00 42.46 39.20 3bk2 s ILE 458 CO 0.49 0.58 0.05 0.42 -1.23 0.00 0.00 174.94 175.24 3bk2 s THR 459 N -0.42 1.13 0.36 2.92 -4.23 -1.26 -4.12 115.64 110.03 3bk2 s THR 459 Ca 0.04 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 3bk2 s THR 459 Cb -0.12 -2.69 0.22 0.00 1.34 0.00 0.00 72.50 71.25 3bk2 s THR 459 CO 0.01 -0.07 1.96 -0.08 -0.54 0.00 0.00 174.62 175.90 3bk2 h GLU 460 N 2.21 0.64 0.13 3.99 4.81 -1.96 0.58 114.58 124.97 3bk2 h GLU 460 Ca -0.40 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3bk2 h GLU 460 Cb 1.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3bk2 h GLU 460 CO 0.68 0.51 -0.06 0.93 -0.73 0.00 0.00 179.01 180.34 3bk2 h GLU 461 N 0.64 -0.16 -0.90 1.92 3.07 -1.98 0.38 114.58 117.55 3bk2 h GLU 461 Ca 0.16 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.14 3bk2 h GLU 461 Cb 0.10 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 27.96 3bk2 h GLU 461 CO -0.02 0.18 0.53 0.82 -1.40 0.00 0.00 179.01 179.12 3bk2 h ILE 462 N -0.53 0.88 -0.44 3.13 2.04 -1.87 0.42 117.51 121.15 3bk2 h ILE 462 Ca -0.02 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 3bk2 h ILE 462 Cb 0.42 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3bk2 h ILE 462 CO 0.03 0.15 -0.16 -0.07 0.00 0.00 0.00 178.15 178.10 3bk2 h LEU 463 N 0.84 0.91 -0.59 1.44 4.07 -0.69 -2.15 115.31 119.15 3bk2 h LEU 463 Ca 0.45 -0.38 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 3bk2 h LEU 463 Cb 0.46 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 3bk2 h LEU 463 CO -0.27 1.09 0.23 0.00 -1.08 0.00 0.00 178.44 178.41 3bk2 h ALA 464 N 0.85 0.76 -0.42 1.53 0.00 0.10 -2.11 119.26 119.98 3bk2 h ALA 464 Ca 0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3bk2 h ALA 464 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3bk2 h ALA 464 CO 0.05 0.38 -0.14 -0.44 0.00 0.00 0.00 179.25 179.11 3bk2 h ASP 465 N 0.81 0.76 -0.50 0.00 3.32 -0.92 -1.23 116.42 118.65 3bk2 h ASP 465 Ca 0.20 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3bk2 h ASP 465 Cb 0.21 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3bk2 h ASP 465 CO -0.02 0.91 0.23 0.03 -1.72 0.00 0.00 179.24 178.67 3bk2 h ARG 466 N 0.68 0.78 -0.04 3.56 3.08 -1.08 -2.94 114.38 118.43 3bk2 h ARG 466 Ca 0.11 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3bk2 h ARG 466 Cb 0.62 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.54 3bk2 h ARG 466 CO 0.04 0.64 -0.48 0.00 -1.07 0.00 0.00 179.97 179.10 3bk2 h ARG 467 N 0.78 0.40 0.00 0.04 3.08 -1.06 0.42 114.38 118.03 3bk2 h ARG 467 Ca 0.19 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3bk2 h ARG 467 Cb 0.14 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3bk2 h ARG 467 CO -0.02 1.03 0.00 1.58 -1.07 0.00 0.00 179.97 181.49 3bk2 n HIS 468 N -4.30 0.00 0.00 3.04 -0.00 -0.49 -1.04 115.22 112.43 3bk2 n HIS 468 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 3bk2 n HIS 468 Cb 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 3bk2 n HIS 468 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3bk2 n ALA 470 N 0.39 0.00 -0.09 1.57 0.00 0.15 -1.79 120.51 120.73 3bk2 n ALA 470 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3bk2 n ALA 470 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3bk2 n ALA 470 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bk2 n GLU 471 N 0.00 0.68 -0.00 0.00 1.02 -0.20 -4.70 120.64 117.44 3bk2 n GLU 471 Ca 0.00 0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 3bk2 n GLU 471 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 3bk2 n GLU 471 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3bk2 n GLU 472 N -2.86 1.53 0.00 3.49 -0.58 -0.74 -5.05 120.64 116.44 3bk2 n GLU 472 Ca -0.33 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 3bk2 n GLU 472 Cb 1.12 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 3bk2 n GLU 472 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bk2 n GLY 473 N 1.79 -1.81 2.91 0.62 0.00 -1.23 -4.22 105.19 103.25 3bk2 n GLY 473 Ca -0.01 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 3bk2 n GLY 473 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bk2 s LEU 474 N 0.00 2.02 -0.26 0.99 2.96 0.70 -4.74 118.68 120.35 3bk2 s LEU 474 Ca 0.00 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3bk2 s LEU 474 Cb 0.00 -0.10 0.08 0.00 0.50 0.00 0.00 46.19 46.66 3bk2 s LEU 474 CO 0.00 0.01 0.04 -0.69 -1.32 0.00 0.00 176.35 174.38 3bk2 s VAL 475 N -0.15 1.00 -0.29 1.68 1.01 -1.26 -1.36 120.40 121.03 3bk2 s VAL 475 Ca -0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 61.98 60.71 3bk2 s VAL 475 Cb -0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3bk2 s VAL 475 CO -0.00 -0.38 0.29 -0.69 0.00 0.00 0.00 175.10 174.31 3bk2 s VAL 476 N 1.60 5.24 -0.39 2.92 1.01 0.22 -1.26 120.40 129.73 3bk2 s VAL 476 Ca 0.03 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 3bk2 s VAL 476 Cb -0.18 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.63 3bk2 s VAL 476 CO -0.14 0.14 0.20 -0.63 0.00 0.00 0.00 175.10 174.68 3bk2 s ILE 477 N 1.91 3.92 -0.38 2.22 1.01 -0.74 -1.30 121.20 127.84 3bk2 s ILE 477 Ca 0.11 -1.45 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 3bk2 s ILE 477 Cb -0.16 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.92 3bk2 s ILE 477 CO 0.11 -0.45 0.70 -0.89 0.00 0.00 0.00 174.94 174.41 3bk2 s THR 478 N 1.37 4.80 -0.13 2.92 2.01 0.97 -0.67 115.64 126.89 3bk2 s THR 478 Ca 0.02 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.64 3bk2 s THR 478 Cb -0.22 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.13 3bk2 s THR 478 CO 0.01 -0.45 -0.22 0.00 -0.69 0.00 0.00 174.62 173.27 3bk2 s ALA 479 N 2.93 2.21 -0.44 7.40 0.00 -0.19 -1.02 121.76 132.65 3bk2 s ALA 479 Ca 0.27 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 3bk2 s ALA 479 Cb -0.14 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.07 3bk2 s ALA 479 CO 0.17 0.00 0.35 -0.51 0.00 0.00 0.00 175.76 175.77 3bk2 s LEU 480 N 0.77 5.38 -0.67 0.00 1.02 0.39 -0.50 118.68 125.08 3bk2 s LEU 480 Ca -0.08 -1.18 -0.25 0.00 0.02 0.00 0.00 54.13 52.64 3bk2 s LEU 480 Cb -0.16 -2.16 0.05 0.00 0.02 0.00 0.00 46.19 43.95 3bk2 s LEU 480 CO -0.01 -0.56 1.08 0.00 0.02 0.00 0.00 176.35 176.88 3bk2 s ALA 481 N 1.64 2.99 0.00 4.21 0.00 0.63 -2.61 121.76 128.62 3bk2 s ALA 481 Ca 0.04 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.47 3bk2 s ALA 481 Cb -0.22 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.91 3bk2 s ALA 481 CO 0.07 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.36 3bk2 n GLY 482 N 5.30 3.08 0.13 0.00 0.00 -1.26 0.13 105.19 112.57 3bk2 n GLY 482 Ca 0.00 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.95 3bk2 n GLY 482 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bk2 h GLU 483 N 0.00 0.00 -2.18 1.61 5.08 -2.00 -3.28 114.58 113.82 3bk2 h GLU 483 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 3bk2 h GLU 483 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 3bk2 h GLU 483 CO 0.00 0.00 -0.73 -3.47 -1.00 0.00 0.00 179.01 173.81 3bk2 n ASP 484 N -2.40 2.75 -4.46 1.42 2.03 -1.26 -5.11 116.55 109.51 3bk2 n ASP 484 Ca 0.04 -3.23 -0.41 0.00 0.52 0.00 0.00 54.79 51.72 3bk2 n ASP 484 Cb 0.39 -0.66 0.02 0.00 -0.72 0.00 0.00 41.12 40.14 3bk2 n ASP 484 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3bk2 n PRO 485 N 1.06 0.61 -3.96 -0.67 -0.02 -1.24 -5.00 135.00 125.78 3bk2 n PRO 485 Ca 0.27 0.22 -0.15 0.00 -2.02 0.00 0.00 63.50 61.83 3bk2 n PRO 485 Cb 0.44 -1.59 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 3bk2 n PRO 485 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bk2 s VAL 486 N -1.53 0.16 -0.04 -1.45 1.01 -1.07 -4.98 120.40 112.49 3bk2 s VAL 486 Ca 0.64 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 3bk2 s VAL 486 Cb -0.55 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 35.67 3bk2 s VAL 486 CO 0.57 0.08 0.01 -0.69 0.00 0.00 0.00 175.10 175.07 3bk2 s VAL 487 N 0.35 0.18 -0.03 2.92 1.01 -1.26 -0.46 120.40 123.12 3bk2 s VAL 487 Ca -0.03 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3bk2 s VAL 487 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 3bk2 s VAL 487 CO -0.01 0.18 -0.17 -1.61 0.00 0.00 0.00 175.10 173.50 3bk2 s GLU 488 N 1.49 1.61 -0.07 2.72 2.02 -0.19 -4.97 118.70 121.31 3bk2 s GLU 488 Ca -0.03 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3bk2 s GLU 488 Cb -0.13 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.66 3bk2 s GLU 488 CO -0.03 0.27 -0.19 0.08 0.02 0.00 0.00 175.26 175.41 3bk2 s VAL 489 N -0.08 1.64 0.08 2.63 1.01 -1.26 -0.02 120.40 124.39 3bk2 s VAL 489 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3bk2 s VAL 489 Cb -0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3bk2 s VAL 489 CO 0.01 0.47 -0.06 0.54 0.00 0.00 0.00 175.10 176.05 3bk2 s VAL 490 N 0.30 0.60 0.16 2.92 0.11 -0.42 -5.00 120.40 119.08 3bk2 s VAL 490 Ca -0.12 -1.70 -0.04 0.00 -2.93 0.00 0.00 61.98 57.19 3bk2 s VAL 490 Cb -0.15 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.29 3bk2 s VAL 490 CO 0.05 -0.76 0.17 -0.94 -3.33 0.00 0.00 175.10 170.29 3bk2 s SER 491 N -2.65 0.17 -0.20 3.54 1.04 -1.26 -0.61 113.70 113.73 3bk2 s SER 491 Ca 0.06 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.21 3bk2 s SER 491 Cb 0.01 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.57 3bk2 s SER 491 CO -0.04 -0.83 0.52 -0.13 0.98 0.00 0.00 173.24 173.75 3bk2 s ARG 492 N -4.04 0.57 -1.61 4.02 1.81 -0.46 -4.87 118.95 114.37 3bk2 s ARG 492 Ca 0.24 0.83 0.00 0.00 -1.72 0.00 0.00 55.73 55.08 3bk2 s ARG 492 Cb 0.06 0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.74 3bk2 s ARG 492 CO 0.03 -0.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.96 3bk2 n GLY 493 N 3.44 1.35 3.73 -3.53 0.00 -1.26 -0.22 105.19 108.70 3bk2 n GLY 493 Ca -0.17 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3bk2 n GLY 493 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bk2 s PHE 494 N -2.60 3.20 0.12 1.61 5.36 -1.26 -3.54 117.98 120.88 3bk2 s PHE 494 Ca 0.00 0.18 -0.35 0.00 -0.96 0.00 0.00 56.93 55.80 3bk2 s PHE 494 Cb 0.00 -1.74 -0.16 0.00 -0.34 0.00 0.00 43.02 40.78 3bk2 s PHE 494 CO 0.00 0.51 1.41 0.28 -1.46 0.00 0.00 175.22 175.96 3bk2 n VAL 495 N 1.58 0.08 -0.31 3.12 0.31 -1.26 -4.73 118.33 117.12 3bk2 n VAL 495 Ca -0.16 -0.02 0.14 0.00 -0.01 0.00 0.00 64.34 64.29 3bk2 n VAL 495 Cb 0.53 -1.07 0.31 0.00 -0.91 0.00 0.00 33.84 32.71 3bk2 n VAL 495 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3bk2 h LYS 496 N 4.91 0.36 -0.31 5.55 1.79 -1.97 0.22 116.57 127.12 3bk2 h LYS 496 Ca -0.46 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.04 3bk2 h LYS 496 Cb 1.31 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.83 3bk2 h LYS 496 CO 0.81 0.24 -0.00 0.00 -1.08 0.00 0.00 179.45 179.42 3bk2 h ALA 497 N 1.72 0.28 -0.14 3.86 0.00 -2.00 -1.11 119.26 121.87 3bk2 h ALA 497 Ca 0.57 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.47 3bk2 h ALA 497 Cb 1.10 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3bk2 h ALA 497 CO -0.55 -0.41 -0.35 0.78 0.00 0.00 0.00 179.25 178.72 3bk2 h GLY 498 N 0.09 0.32 1.86 0.00 0.00 -1.07 -2.49 103.07 101.77 3bk2 h GLY 498 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3bk2 h GLY 498 CO -0.25 0.25 0.07 -2.09 0.00 0.00 0.00 176.54 174.52 3bk2 h GLU 499 N 0.25 0.00 -0.02 4.80 4.81 0.54 0.31 114.58 125.28 3bk2 h GLU 499 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3bk2 h GLU 499 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3bk2 h GLU 499 CO 0.06 0.00 -0.09 0.54 -0.73 0.00 0.00 179.01 178.79 3bk2 n ARG 500 N -3.13 1.62 -0.20 1.92 1.74 -0.91 -3.85 116.66 113.85 3bk2 n ARG 500 Ca -0.03 -1.10 0.07 0.00 -0.77 0.00 0.00 57.85 56.03 3bk2 n ARG 500 Cb 0.14 -1.48 0.18 0.00 -1.02 0.00 0.00 32.46 30.28 3bk2 n ARG 500 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3bk2 n LEU 501 N 0.27 3.08 0.20 0.55 4.77 0.11 -4.51 117.00 121.47 3bk2 n LEU 501 Ca 0.16 -1.87 0.06 0.00 -0.03 0.00 0.00 56.01 54.33 3bk2 n LEU 501 Cb 0.42 -0.26 0.43 0.00 -2.33 0.00 0.00 43.42 41.68 3bk2 n LEU 501 CO 0.19 0.75 0.76 -0.07 -1.33 0.00 0.00 177.39 177.69 3bk2 h LEU 502 N 2.67 0.00 -0.62 2.23 3.38 -1.65 -1.23 115.31 120.10 3bk2 h LEU 502 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3bk2 h LEU 502 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3bk2 h LEU 502 CO 0.00 0.32 -0.00 1.23 0.09 0.00 0.00 178.44 180.08 3bk2 h GLY 503 N 1.41 1.17 2.00 0.83 0.00 -1.87 0.32 103.07 106.93 3bk2 h GLY 503 Ca -0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.36 3bk2 h GLY 503 CO 0.04 0.80 -0.48 -2.09 0.00 0.00 0.00 176.54 174.80 3bk2 h GLU 504 N 0.99 0.00 0.26 4.80 4.57 -1.73 -1.55 114.58 121.91 3bk2 h GLU 504 Ca 0.17 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3bk2 h GLU 504 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3bk2 h GLU 504 CO 0.03 0.48 -0.12 0.28 -1.18 0.00 0.00 179.01 178.50 3bk2 h VAL 505 N 0.00 0.76 -0.79 0.32 2.07 -0.52 -3.13 116.25 114.96 3bk2 h VAL 505 Ca -0.00 -0.75 0.17 0.00 0.82 0.00 0.00 66.70 66.93 3bk2 h VAL 505 Cb 0.89 1.14 -0.11 0.00 -1.52 0.00 0.00 31.29 31.69 3bk2 h VAL 505 CO 0.06 0.15 0.29 -0.09 0.02 0.00 0.00 177.57 178.00 3bk2 h ARG 506 N -0.77 0.38 -0.36 1.57 2.43 -0.23 -0.62 114.38 116.78 3bk2 h ARG 506 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3bk2 h ARG 506 Cb 0.50 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3bk2 h ARG 506 CO 0.06 0.25 0.00 -2.13 -1.51 0.00 0.00 179.97 176.64 3bk2 n ARG 507 N -5.05 0.14 0.00 0.20 0.63 -0.60 -1.12 116.66 110.85 3bk2 n ARG 507 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3bk2 n ARG 507 Cb 0.49 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.28 3bk2 n ARG 507 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bk2 n ALA 509 N 0.50 0.00 -0.10 5.13 0.00 -0.24 -2.45 120.51 123.34 3bk2 n ALA 509 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3bk2 n ALA 509 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3bk2 n ALA 509 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3bk2 h LEU 510 N 0.00 0.44 -0.82 0.00 6.46 -1.37 0.44 115.31 120.46 3bk2 h LEU 510 Ca 0.00 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 3bk2 h LEU 510 Cb 0.00 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 3bk2 h LEU 510 CO 0.00 0.50 0.47 -0.08 -0.62 0.00 0.00 178.44 178.71 3bk2 h GLU 511 N 0.35 1.13 -0.34 1.25 4.57 -1.77 0.34 114.58 120.11 3bk2 h GLU 511 Ca 0.10 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 3bk2 h GLU 511 Cb 0.21 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3bk2 h GLU 511 CO -0.01 0.82 -0.06 0.00 -1.18 0.00 0.00 179.01 178.58 3bk2 h ALA 512 N 1.25 0.47 -0.26 2.92 0.00 -1.77 -0.97 119.26 120.89 3bk2 h ALA 512 Ca 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bk2 h ALA 512 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3bk2 h ALA 512 CO -0.05 0.29 0.16 1.25 0.00 0.00 0.00 179.25 180.90 3bk2 h LEU 513 N 0.44 0.32 -0.31 0.00 5.85 0.46 0.16 115.31 122.23 3bk2 h LEU 513 Ca 0.09 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3bk2 h LEU 513 Cb 0.54 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3bk2 h LEU 513 CO 0.03 0.27 0.10 0.11 -0.34 0.00 0.00 178.44 178.61 3bk2 h LYS 514 N 0.33 0.47 -0.55 1.25 1.57 -0.27 -0.34 116.57 119.03 3bk2 h LYS 514 Ca 0.09 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3bk2 h LYS 514 Cb 0.02 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3bk2 h LYS 514 CO -0.02 0.52 0.16 -0.97 -0.57 0.00 0.00 179.45 178.57 3bk2 h ASN 515 N 0.34 0.78 -0.26 0.86 -0.73 -1.05 0.61 115.58 116.12 3bk2 h ASN 515 Ca 0.10 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.14 3bk2 h ASN 515 Cb 0.24 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 3bk2 h ASN 515 CO -0.00 0.75 0.15 1.23 -0.37 0.00 0.00 177.43 179.18 3bk2 h GLY 516 N 0.97 0.39 0.48 1.57 0.00 -0.22 -0.76 103.07 105.49 3bk2 h GLY 516 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3bk2 h GLY 516 CO -0.01 0.17 -0.23 -2.08 0.00 0.00 0.00 176.54 174.39 3bk2 h VAL 517 N 0.31 0.00 -1.24 4.60 2.07 -0.67 -0.88 116.25 120.43 3bk2 h VAL 517 Ca 0.09 -0.10 0.36 0.00 0.82 0.00 0.00 66.70 67.87 3bk2 h VAL 517 Cb 0.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.78 3bk2 h VAL 517 CO -0.02 0.00 1.04 -0.09 0.02 0.00 0.00 177.57 178.53 3bk2 h ARG 518 N -0.74 0.00 -0.67 1.57 2.43 -0.90 0.84 114.38 116.90 3bk2 h ARG 518 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3bk2 h ARG 518 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3bk2 h ARG 518 CO 0.11 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 176.66 3bk2 n GLU 519 N -3.79 2.68 -1.48 0.20 2.13 -0.30 -4.96 120.64 115.13 3bk2 n GLU 519 Ca 0.27 -2.60 -0.17 0.00 0.66 0.00 0.00 57.16 55.32 3bk2 n GLU 519 Cb 1.44 -1.57 -0.07 0.00 0.27 0.00 0.00 31.44 31.51 3bk2 n GLU 519 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3bk2 n LYS 520 N 1.65 -1.55 -1.45 5.31 5.02 0.29 -4.95 118.16 122.47 3bk2 n LYS 520 Ca 0.24 1.08 -0.35 0.00 -2.02 0.00 0.00 58.31 57.26 3bk2 n LYS 520 Cb 0.62 -5.47 0.09 0.00 -0.02 0.00 0.00 35.03 30.26 3bk2 n LYS 520 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3bk2 s LYS 521 N -3.42 2.13 0.50 1.97 1.02 -0.37 -4.99 119.74 116.58 3bk2 s LYS 521 Ca 0.00 1.88 -0.20 0.00 0.02 0.00 0.00 55.97 57.68 3bk2 s LYS 521 Cb 0.00 -1.82 -0.08 0.00 -0.52 0.00 0.00 37.83 35.41 3bk2 s LYS 521 CO 0.00 -1.87 1.04 -2.14 -0.92 0.00 0.00 175.35 171.46 3bk2 s PRO 522 N -3.77 3.74 0.60 -1.68 0.02 -1.26 -4.83 135.00 127.82 3bk2 s PRO 522 Ca 0.77 1.34 0.29 0.00 0.02 0.00 0.00 61.00 63.42 3bk2 s PRO 522 Cb -0.32 -2.09 1.48 0.00 0.02 0.00 0.00 34.50 33.59 3bk2 s PRO 522 CO 0.45 -0.48 1.88 -0.07 -0.33 0.00 0.00 177.00 178.45 3bk2 h LEU 523 N 1.41 0.00 -0.02 -5.54 4.07 -1.95 -1.49 115.31 111.81 3bk2 h LEU 523 Ca -0.49 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.20 3bk2 h LEU 523 Cb 1.22 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.98 3bk2 h LEU 523 CO 0.59 0.00 -1.08 -0.33 -1.08 0.00 0.00 178.44 176.54 3bk2 h GLU 524 N 0.00 0.57 0.00 1.13 5.08 -1.95 -1.89 114.58 117.51 3bk2 h GLU 524 Ca 0.18 -0.67 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 3bk2 h GLU 524 Cb 1.12 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 3bk2 h GLU 524 CO -0.00 1.27 -0.16 0.00 -1.00 0.00 0.00 179.01 179.11 3bk2 h ARG 525 N 0.30 0.00 -0.04 2.33 3.08 -1.67 -1.82 114.38 116.56 3bk2 h ARG 525 Ca -0.13 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.69 3bk2 h ARG 525 Cb 1.73 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.79 3bk2 h ARG 525 CO 0.20 0.16 -0.92 0.82 -1.07 0.00 0.00 179.97 179.17 3bk2 h ILE 526 N 0.00 1.33 -0.22 2.04 2.04 -1.42 -0.33 117.51 120.96 3bk2 h ILE 526 Ca -0.00 -2.25 -0.00 0.00 1.00 0.00 0.00 64.86 63.61 3bk2 h ILE 526 Cb 1.02 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 3bk2 h ILE 526 CO 0.02 0.69 0.13 -0.09 0.00 0.00 0.00 178.15 178.90 3bk2 h ARG 527 N 0.35 0.29 -0.43 2.37 2.43 -1.09 -1.12 114.38 117.18 3bk2 h ARG 527 Ca -0.08 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3bk2 h ARG 527 Cb 1.55 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 3bk2 h ARG 527 CO 0.17 0.23 0.23 -0.44 -1.51 0.00 0.00 179.97 178.65 3bk2 h ASP 528 N 0.27 0.55 -0.20 -3.80 3.32 -1.29 0.11 116.42 115.39 3bk2 h ASP 528 Ca 0.08 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.09 3bk2 h ASP 528 Cb 0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3bk2 h ASP 528 CO -0.02 0.49 0.17 0.44 -1.72 0.00 0.00 179.24 178.60 3bk2 h ASP 529 N 0.56 0.00 0.02 6.45 3.32 -0.57 -1.87 116.42 124.33 3bk2 h ASP 529 Ca 0.15 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3bk2 h ASP 529 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3bk2 h ASP 529 CO -0.02 0.00 -0.89 0.40 -1.72 0.00 0.00 179.24 177.01 3bk2 h ILE 530 N 0.00 1.20 0.05 0.35 2.04 -0.62 -3.38 117.51 117.15 3bk2 h ILE 530 Ca 0.09 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.70 3bk2 h ILE 530 Cb 0.43 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 3bk2 h ILE 530 CO -0.00 0.46 -0.19 0.22 0.00 0.00 0.00 178.15 178.64 3bk2 h TYR 531 N -0.90 -0.55 -0.51 1.37 3.20 -0.34 -2.90 116.97 116.33 3bk2 h TYR 531 Ca -0.23 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.75 3bk2 h TYR 531 Cb 1.27 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 39.69 3bk2 h TYR 531 CO 0.16 -0.22 -0.03 1.88 -1.64 0.00 0.00 178.16 178.31 3bk2 h TYR 532 N -0.27 -0.09 -0.10 -3.82 0.05 -1.60 0.38 116.97 111.52 3bk2 h TYR 532 Ca -0.00 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 3bk2 h TYR 532 Cb 0.27 0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 3bk2 h TYR 532 CO -0.35 -0.14 0.04 -1.35 -1.05 0.00 0.00 178.16 175.32 3bk2 h PRO 533 N 0.08 0.14 -0.57 4.88 0.11 -1.74 -1.45 132.00 133.47 3bk2 h PRO 533 Ca 0.25 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 3bk2 h PRO 533 Cb 0.39 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 3bk2 h PRO 533 CO -0.45 0.22 0.24 0.28 -0.21 0.00 0.00 178.00 178.08 3bk2 h VAL 534 N 0.03 1.20 0.54 3.15 2.07 -1.29 0.23 116.25 122.18 3bk2 h VAL 534 Ca 0.03 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3bk2 h VAL 534 Cb 0.13 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3bk2 h VAL 534 CO -0.00 0.24 -0.31 0.50 0.02 0.00 0.00 177.57 178.02 3bk2 h LYS 535 N 0.81 -0.76 -0.59 1.57 1.63 -0.70 -0.99 116.57 117.54 3bk2 h LYS 535 Ca 0.20 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3bk2 h LYS 535 Cb 0.13 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 3bk2 h LYS 535 CO -0.02 -0.51 0.36 -0.22 -3.45 0.00 0.00 179.45 175.61 3bk2 h LYS 536 N -0.79 0.79 0.27 1.90 3.64 -0.92 -2.20 116.57 119.26 3bk2 h LYS 536 Ca -0.07 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3bk2 h LYS 536 Cb 0.63 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3bk2 h LYS 536 CO 0.09 0.56 -0.25 0.35 -2.27 0.00 0.00 179.45 177.92 3bk2 h PHE 537 N 0.79 -0.67 0.00 1.91 3.57 -0.39 0.63 116.94 122.79 3bk2 h PHE 537 Ca 0.21 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3bk2 h PHE 537 Cb -0.04 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 3bk2 h PHE 537 CO -0.02 -0.37 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.51 3bk2 h LEU 538 N -0.55 0.00 0.34 0.59 3.38 -1.15 -0.31 115.31 117.61 3bk2 h LEU 538 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3bk2 h LEU 538 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3bk2 h LEU 538 CO -0.04 0.10 -0.16 0.50 0.09 0.00 0.00 178.44 178.93 3bk2 h LYS 539 N 0.00 -0.43 0.00 1.13 1.63 -0.86 0.88 116.57 118.91 3bk2 h LYS 539 Ca -0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3bk2 h LYS 539 Cb 0.26 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3bk2 h LYS 539 CO 0.01 -0.24 0.00 1.17 -3.45 0.00 0.00 179.45 176.94 3bk2 n LYS 540 N -5.08 0.10 -0.03 1.90 4.81 0.17 0.27 118.16 120.30 3bk2 n LYS 540 Ca -0.06 0.21 -0.03 0.00 -0.87 0.00 0.00 58.31 57.56 3bk2 n LYS 540 Cb 0.20 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.70 3bk2 n LYS 540 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bk2 n ALA 541 N -1.26 1.86 0.00 3.14 0.00 -0.14 -4.82 120.51 119.29 3bk2 n ALA 541 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3bk2 n ALA 541 Cb 0.05 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3bk2 n ALA 541 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bk2 n THR 542 N -2.22 0.00 -1.30 0.00 -2.24 0.30 -5.01 114.28 103.81 3bk2 n THR 542 Ca -0.11 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3bk2 n THR 542 Cb 0.69 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.83 3bk2 n THR 542 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bk2 n GLY 543 N 0.58 1.08 3.50 3.38 0.00 0.14 -5.01 105.19 108.86 3bk2 n GLY 543 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3bk2 n GLY 543 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bk2 s ARG 544 N -2.84 1.81 -0.68 1.61 1.81 -1.25 -5.01 118.95 114.39 3bk2 s ARG 544 Ca 0.00 -1.21 0.05 0.00 -1.72 0.00 0.00 55.73 52.84 3bk2 s ARG 544 Cb 0.00 -2.10 0.28 0.00 -0.45 0.00 0.00 34.95 32.68 3bk2 s ARG 544 CO 0.00 0.47 0.91 -0.25 -0.68 0.00 0.00 175.30 175.74 3bk2 n ASP 545 N 0.65 4.33 0.00 0.23 9.92 -1.26 -3.90 116.55 126.52 3bk2 n ASP 545 Ca -0.15 -3.52 0.00 0.00 -0.53 0.00 0.00 54.79 50.60 3bk2 n ASP 545 Cb 0.53 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3bk2 n ASP 545 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3bk2 n PRO 546 N 0.57 0.00 -3.15 -0.24 -0.02 -1.26 -4.74 135.00 126.15 3bk2 n PRO 546 Ca 0.31 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3bk2 n PRO 546 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.86 3bk2 n PRO 546 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bk2 s ILE 548 N 0.00 -0.50 -0.62 4.25 1.01 -1.26 -4.89 121.20 119.19 3bk2 s ILE 548 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 3bk2 s ILE 548 Cb 0.00 -0.98 0.16 0.00 0.01 0.00 0.00 42.46 41.65 3bk2 s ILE 548 CO 0.00 0.00 0.54 -0.76 0.00 0.00 0.00 174.94 174.72 3bk2 s LEU 549 N 2.93 6.16 -0.36 2.97 1.43 -0.39 -5.00 118.68 126.42 3bk2 s LEU 549 Ca 0.05 -2.18 -0.25 0.00 -1.03 0.00 0.00 54.13 50.72 3bk2 s LEU 549 Cb -0.11 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.99 3bk2 s LEU 549 CO -0.14 -0.69 0.90 -2.84 0.23 0.00 0.00 176.35 173.80 3bk2 s PRO 550 N 0.98 3.83 -0.53 1.29 0.02 -1.26 -1.79 135.00 137.54 3bk2 s PRO 550 Ca 0.09 0.54 -0.11 0.00 0.02 0.00 0.00 61.00 61.55 3bk2 s PRO 550 Cb -0.22 -3.80 0.13 0.00 0.02 0.00 0.00 34.50 30.63 3bk2 s PRO 550 CO -0.02 -0.92 0.43 0.08 -0.33 0.00 0.00 177.00 176.24 3bk2 s VAL 551 N 3.39 4.53 -0.31 3.83 1.01 0.15 -4.97 120.40 128.03 3bk2 s VAL 551 Ca 0.37 -1.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.33 3bk2 s VAL 551 Cb -0.12 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3bk2 s VAL 551 CO 0.18 -0.83 0.34 -0.69 0.00 0.00 0.00 175.10 174.10 3bk2 s VAL 552 N 1.20 5.19 -0.08 2.92 1.01 -1.26 -1.03 120.40 128.36 3bk2 s VAL 552 Ca 0.07 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3bk2 s VAL 552 Cb -0.25 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3bk2 s VAL 552 CO -0.01 0.02 -0.21 -0.63 0.00 0.00 0.00 175.10 174.27 3bk2 s ILE 553 N 1.99 2.41 0.45 2.22 1.01 0.35 -4.97 121.20 124.67 3bk2 s ILE 553 Ca 0.12 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.59 3bk2 s ILE 553 Cb -0.16 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 3bk2 s ILE 553 CO 0.11 0.56 1.41 -0.62 0.00 0.00 0.00 174.94 176.41 3bk2 n GLU 554 N 3.09 2.21 0.00 2.79 -0.58 -1.26 -0.27 120.64 126.62 3bk2 n GLU 554 Ca -0.18 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3bk2 n GLU 554 Cb 0.52 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 3bk2 n GLU 554 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06