#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bk3 s LYS 4 N 0.00 3.50 0.37 1.20 -0.14 -1.26 0.38 119.74 123.79 2bk3 s LYS 4 Ca 0.00 -0.25 -0.09 0.00 -1.36 0.00 0.00 55.97 54.28 2bk3 s LYS 4 Cb 0.00 -3.12 0.03 0.00 -1.68 0.00 0.00 37.83 33.06 2bk3 s LYS 4 CO 0.00 0.62 0.63 0.00 -0.76 0.00 0.00 175.35 175.84 2bk3 h ASP 6 N 2.05 0.22 -3.51 0.00 3.32 -1.00 -3.32 116.42 114.18 2bk3 h ASP 6 Ca -0.30 -0.93 -0.36 0.00 0.02 0.00 0.00 57.03 55.46 2bk3 h ASP 6 Cb 1.24 -0.07 -0.34 0.00 0.22 0.00 0.00 39.33 40.39 2bk3 h ASP 6 CO 0.40 1.13 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.60 2bk3 s VAL 7 N -2.50 0.29 -0.17 -1.35 1.01 -1.00 -1.68 120.40 114.99 2bk3 s VAL 7 Ca -0.16 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 2bk3 s VAL 7 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2bk3 s VAL 7 CO 0.75 0.16 0.45 -0.69 0.00 0.00 0.00 175.10 175.77 2bk3 s VAL 8 N 0.92 5.18 -0.24 2.92 1.01 -0.86 -2.01 120.40 127.32 2bk3 s VAL 8 Ca -0.10 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 62.64 2bk3 s VAL 8 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2bk3 s VAL 8 CO -0.01 0.27 0.09 -0.69 0.00 0.00 0.00 175.10 174.76 2bk3 s VAL 9 N 1.07 4.62 -0.42 2.92 1.01 0.34 -1.04 120.40 128.90 2bk3 s VAL 9 Ca 0.23 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2bk3 s VAL 9 Cb -0.15 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.10 2bk3 s VAL 9 CO 0.09 0.35 0.56 -0.69 0.00 0.00 0.00 175.10 175.40 2bk3 s VAL 10 N 1.38 4.94 0.00 2.92 1.01 0.52 -0.87 120.40 130.30 2bk3 s VAL 10 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2bk3 s VAL 10 Cb -0.15 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2bk3 s VAL 10 CO 0.05 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.28 2bk3 n GLY 11 N 5.01 2.73 2.28 4.51 0.00 -0.27 -0.53 105.19 118.93 2bk3 n GLY 11 Ca -0.04 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 2bk3 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 12 N 1.61 6.11 0.77 -0.02 0.00 -1.26 -4.15 105.19 108.25 2bk3 n GLY 12 Ca 0.00 -2.59 -0.05 0.00 0.00 0.00 0.00 46.02 43.37 2bk3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 13 N -0.69 -0.30 0.34 -0.02 0.00 -1.26 -1.30 105.19 101.95 2bk3 n GLY 13 Ca 0.48 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.70 2bk3 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk3 h ILE 14 N -0.82 1.07 0.20 -0.61 2.04 -1.95 -1.17 117.51 116.28 2bk3 h ILE 14 Ca -0.08 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2bk3 h ILE 14 Cb 0.24 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2bk3 h ILE 14 CO 0.07 0.19 -0.10 -1.28 0.00 0.00 0.00 178.15 177.03 2bk3 h SER 15 N 1.05 -0.23 -0.55 1.72 0.87 -1.91 0.60 113.55 115.11 2bk3 h SER 15 Ca 0.39 -0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.89 2bk3 h SER 15 Cb 0.14 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2bk3 h SER 15 CO -0.16 -0.06 0.32 1.23 -0.53 0.00 0.00 176.83 177.63 2bk3 h GLY 16 N -0.39 0.77 1.03 5.77 0.00 -1.67 -1.44 103.07 107.14 2bk3 h GLY 16 Ca -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2bk3 h GLY 16 CO 0.05 0.20 0.11 -0.33 0.00 0.00 0.00 176.54 176.56 2bk3 h MET 17 N 0.64 0.98 -0.70 4.80 2.07 -1.16 0.30 114.93 121.86 2bk3 h MET 17 Ca 0.22 -0.26 -0.06 0.00 -2.07 0.00 0.00 59.70 57.53 2bk3 h MET 17 Cb 0.04 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.62 2bk3 h MET 17 CO -0.11 0.92 0.19 0.00 1.07 0.00 0.00 176.91 178.98 2bk3 h ALA 18 N 1.02 0.93 -0.29 6.32 0.00 -0.72 0.14 119.26 126.66 2bk3 h ALA 18 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2bk3 h ALA 18 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bk3 h ALA 18 CO 0.01 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.03 2bk3 h ALA 19 N 1.09 0.37 -0.52 0.00 0.00 -1.01 -2.28 119.26 116.91 2bk3 h ALA 19 Ca 0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2bk3 h ALA 19 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2bk3 h ALA 19 CO -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.11 2bk3 h ALA 20 N 0.99 0.71 -0.45 0.00 0.00 -0.76 -2.14 119.26 117.61 2bk3 h ALA 20 Ca 0.10 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2bk3 h ALA 20 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2bk3 h ALA 20 CO -0.01 0.60 0.26 -0.22 0.00 0.00 0.00 179.25 179.89 2bk3 h LYS 21 N 0.84 0.52 -0.07 0.00 3.64 -0.94 -0.01 116.57 120.56 2bk3 h LYS 21 Ca 0.14 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2bk3 h LYS 21 Cb 0.64 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2bk3 h LYS 21 CO 0.04 0.34 0.04 1.25 -2.27 0.00 0.00 179.45 178.85 2bk3 h LEU 22 N 0.53 0.08 -0.59 5.20 6.46 -1.20 -0.43 115.31 125.37 2bk3 h LEU 22 Ca 0.18 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2bk3 h LEU 22 Cb 0.01 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 2bk3 h LEU 22 CO -0.08 0.11 0.37 -0.07 -0.62 0.00 0.00 178.44 178.15 2bk3 h LEU 23 N 0.04 0.71 -0.28 2.25 3.38 -1.28 -1.64 115.31 118.48 2bk3 h LEU 23 Ca 0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2bk3 h LEU 23 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2bk3 h LEU 23 CO -0.00 0.55 0.17 -0.74 0.09 0.00 0.00 178.44 178.51 2bk3 h HIS 24 N 0.80 0.33 0.00 1.13 2.76 -0.85 -1.91 115.15 117.42 2bk3 h HIS 24 Ca 0.21 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2bk3 h HIS 24 Cb -0.04 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 2bk3 h HIS 24 CO -0.02 0.20 -0.12 -0.44 -1.30 0.00 0.00 177.93 176.25 2bk3 h ASP 25 N 0.36 0.00 0.58 3.26 3.32 -0.88 -1.59 116.42 121.46 2bk3 h ASP 25 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2bk3 h ASP 25 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2bk3 h ASP 25 CO -0.04 0.12 0.00 -1.20 -1.72 0.00 0.00 179.24 176.40 2bk3 n SER 26 N -4.31 0.00 0.00 6.45 7.64 -0.63 -4.91 113.62 117.86 2bk3 n SER 26 Ca -0.03 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2bk3 n SER 26 Cb 0.19 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2bk3 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk3 n GLY 27 N 1.22 0.89 3.88 0.23 0.00 -0.60 -5.08 105.19 105.73 2bk3 n GLY 27 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2bk3 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk3 s LEU 28 N 0.00 3.89 -0.39 0.99 1.43 -0.77 -5.02 118.68 118.81 2bk3 s LEU 28 Ca 0.00 1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 53.88 2bk3 s LEU 28 Cb 0.00 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.37 2bk3 s LEU 28 CO 0.00 -0.34 0.71 0.20 0.23 0.00 0.00 176.35 177.15 2bk3 s ASN 29 N -3.19 6.44 0.08 2.29 0.01 -1.26 -4.21 114.94 115.10 2bk3 s ASN 29 Ca 0.49 0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.79 2bk3 s ASN 29 Cb -0.10 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 2bk3 s ASN 29 CO 0.31 -0.74 -0.21 0.68 -1.51 0.00 0.00 177.10 175.63 2bk3 s VAL 30 N 2.98 2.62 -0.03 1.60 -7.23 -1.26 -0.39 120.40 118.69 2bk3 s VAL 30 Ca 0.27 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 59.08 2bk3 s VAL 30 Cb -0.13 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 2bk3 s VAL 30 CO 0.18 0.23 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.34 2bk3 s VAL 31 N -1.00 1.39 -0.23 1.32 1.01 -0.85 -4.81 120.40 117.23 2bk3 s VAL 31 Ca 0.15 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2bk3 s VAL 31 Cb -0.10 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2bk3 s VAL 31 CO 0.06 0.40 -0.01 -0.69 0.00 0.00 0.00 175.10 174.87 2bk3 s VAL 32 N -0.14 3.68 -0.39 2.92 1.01 -0.18 -0.50 120.40 126.80 2bk3 s VAL 32 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2bk3 s VAL 32 Cb -0.09 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2bk3 s VAL 32 CO 0.01 0.40 0.26 -0.76 0.00 0.00 0.00 175.10 175.01 2bk3 s LEU 33 N 1.51 4.88 -0.15 3.92 1.43 -0.05 -0.47 118.68 129.74 2bk3 s LEU 33 Ca 0.06 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 2bk3 s LEU 33 Cb -0.14 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 2bk3 s LEU 33 CO -0.01 -0.39 -0.10 -0.70 0.23 0.00 0.00 176.35 175.38 2bk3 s GLU 34 N 1.65 3.43 0.19 1.70 2.56 -0.34 -1.11 118.70 126.78 2bk3 s GLU 34 Ca 0.04 -0.65 -0.09 0.00 0.00 0.00 0.00 54.97 54.28 2bk3 s GLU 34 Cb -0.19 -2.75 0.09 0.00 2.00 0.00 0.00 34.13 33.29 2bk3 s GLU 34 CO 0.09 0.14 1.69 0.00 -0.56 0.00 0.00 175.26 176.61 2bk3 h ALA 35 N 6.98 0.88 -2.27 6.30 0.00 -1.85 0.30 119.26 129.60 2bk3 h ALA 35 Ca -0.30 -0.27 -0.46 0.00 0.00 0.00 0.00 54.91 53.89 2bk3 h ALA 35 Cb 1.20 -0.25 0.09 0.00 0.00 0.00 0.00 17.79 18.83 2bk3 h ALA 35 CO 0.58 0.64 0.28 1.03 0.00 0.00 0.00 179.25 181.78 2bk3 s ARG 36 N -5.23 1.94 0.00 0.00 0.52 -1.26 -3.79 118.95 111.13 2bk3 s ARG 36 Ca -0.12 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 2bk3 s ARG 36 Cb 0.14 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2bk3 s ARG 36 CO 0.85 -1.45 0.85 -0.40 0.02 0.00 0.00 175.30 175.17 2bk3 n ASP 37 N -3.09 0.18 -3.81 0.23 5.75 -1.26 -0.81 116.55 113.75 2bk3 n ASP 37 Ca 0.09 -1.89 -0.09 0.00 -0.01 0.00 0.00 54.79 52.89 2bk3 n ASP 37 Cb 0.60 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 2bk3 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bk3 s ARG 38 N -1.81 0.93 0.48 0.11 1.70 -1.26 -4.92 118.95 114.19 2bk3 s ARG 38 Ca 0.00 -0.91 0.04 0.00 -0.47 0.00 0.00 55.73 54.39 2bk3 s ARG 38 Cb 0.00 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 2bk3 s ARG 38 CO 0.00 -0.32 0.68 0.14 -1.08 0.00 0.00 175.30 174.71 2bk3 s VAL 39 N -3.85 2.93 0.00 4.99 -7.23 -1.26 -4.75 120.40 111.22 2bk3 s VAL 39 Ca 0.05 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2bk3 s VAL 39 Cb 0.04 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2bk3 s VAL 39 CO -0.10 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2bk3 n GLY 40 N -2.11 1.05 7.00 2.32 0.00 -0.42 -4.88 105.19 108.15 2bk3 n GLY 40 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2bk3 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 41 N 0.00 3.25 0.00 -0.02 0.00 -1.26 -1.10 105.19 106.06 2bk3 n GLY 41 Ca 0.00 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.36 2bk3 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk3 n ARG 42 N 9.00 0.71 -4.05 1.61 1.74 -1.26 -4.54 116.66 119.87 2bk3 n ARG 42 Ca 0.00 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 2bk3 n ARG 42 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2bk3 n ARG 42 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bk3 s THR 43 N -2.15 5.10 -0.23 0.55 -4.23 -0.25 -1.47 115.64 112.95 2bk3 s THR 43 Ca 0.36 0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.86 2bk3 s THR 43 Cb 0.18 -3.20 0.11 0.00 1.34 0.00 0.00 72.50 70.93 2bk3 s THR 43 CO 0.33 0.61 0.45 -0.47 -0.54 0.00 0.00 174.62 175.00 2bk3 s TYR 44 N -0.97 -0.94 -0.31 3.99 5.04 -1.26 -4.53 117.35 118.37 2bk3 s TYR 44 Ca 0.14 1.47 -0.09 0.00 -2.44 0.00 0.00 57.07 56.16 2bk3 s TYR 44 Cb -0.12 0.32 -0.00 0.00 0.35 0.00 0.00 41.96 42.51 2bk3 s TYR 44 CO 0.03 -0.60 0.14 0.99 -1.34 0.00 0.00 175.55 174.77 2bk3 s THR 45 N 2.65 4.46 -0.04 4.34 2.01 -1.26 -0.94 115.64 126.85 2bk3 s THR 45 Ca 0.03 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2bk3 s THR 45 Cb -0.13 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2bk3 s THR 45 CO -0.15 0.05 0.54 -0.22 -0.69 0.00 0.00 174.62 174.16 2bk3 s LEU 46 N 1.58 4.37 -0.12 4.42 2.96 -0.33 -4.88 118.68 126.69 2bk3 s LEU 46 Ca 0.04 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 2bk3 s LEU 46 Cb -0.17 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 2bk3 s LEU 46 CO 0.05 0.08 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.88 2bk3 s ARG 47 N 0.03 3.27 0.32 1.98 3.00 -1.26 -0.62 118.95 125.67 2bk3 s ARG 47 Ca 0.29 -0.73 -0.16 0.00 0.00 0.00 0.00 55.73 55.13 2bk3 s ARG 47 Cb -0.17 -2.54 0.03 0.00 0.00 0.00 0.00 34.95 32.26 2bk3 s ARG 47 CO 0.15 0.22 0.67 0.54 0.00 0.00 0.00 175.30 176.88 2bk3 s ASN 48 N 0.31 -0.01 0.31 0.23 2.20 -1.12 -5.02 114.94 111.84 2bk3 s ASN 48 Ca -0.12 -0.95 0.05 0.00 -0.94 0.00 0.00 52.86 50.90 2bk3 s ASN 48 Cb -0.16 0.74 0.52 0.00 -2.00 0.00 0.00 41.25 40.34 2bk3 s ASN 48 CO 0.06 -1.42 1.77 1.56 -2.94 0.00 0.00 177.10 176.14 2bk3 h GLN 49 N 2.06 0.38 -0.17 3.55 1.08 -2.00 0.46 115.11 120.48 2bk3 h GLN 49 Ca -0.26 -0.13 -0.14 0.00 -1.45 0.00 0.00 58.65 56.67 2bk3 h GLN 49 Cb 1.25 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 2bk3 h GLN 49 CO 0.33 0.60 -0.49 0.87 -0.95 0.00 0.00 178.83 179.18 2bk3 h LYS 50 N 0.34 0.44 0.00 1.46 1.79 -2.02 -3.30 116.57 115.28 2bk3 h LYS 50 Ca 0.05 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2bk3 h LYS 50 Cb 0.60 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2bk3 h LYS 50 CO 0.04 0.84 -1.04 1.33 -1.08 0.00 0.00 179.45 179.54 2bk3 n VAL 51 N -3.97 0.00 0.00 0.50 0.24 -1.19 -4.97 118.33 108.94 2bk3 n VAL 51 Ca -0.02 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2bk3 n VAL 51 Cb 0.56 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 2bk3 n VAL 51 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2bk3 n LYS 52 N -1.59 0.00 -3.93 7.34 4.81 0.15 -4.64 118.16 120.30 2bk3 n LYS 52 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2bk3 n LYS 52 Cb 0.26 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.21 2bk3 n LYS 52 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2bk3 s TYR 53 N 0.00 0.16 -0.11 5.64 -0.85 -1.26 -2.79 117.35 118.14 2bk3 s TYR 53 Ca 0.00 -0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 56.11 2bk3 s TYR 53 Cb 0.00 -0.12 0.04 0.00 0.38 0.00 0.00 41.96 42.25 2bk3 s TYR 53 CO 0.00 -0.26 0.28 0.54 -1.52 0.00 0.00 175.55 174.59 2bk3 s VAL 54 N -1.61 -0.02 -0.30 -3.49 0.11 0.21 -4.98 120.40 110.32 2bk3 s VAL 54 Ca -0.14 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 2bk3 s VAL 54 Cb -0.08 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2bk3 s VAL 54 CO -0.00 0.03 1.09 -1.81 -3.33 0.00 0.00 175.10 171.07 2bk3 s ASP 55 N 0.69 6.94 0.02 3.54 1.01 -1.26 -1.18 116.67 126.43 2bk3 s ASP 55 Ca -0.04 1.12 0.22 0.00 0.71 0.00 0.00 52.55 54.56 2bk3 s ASP 55 Cb -0.06 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 2bk3 s ASP 55 CO -0.04 -0.86 0.90 0.18 0.21 0.00 0.00 175.17 175.56 2bk3 n LEU 56 N 6.84 0.60 0.00 1.23 4.77 -0.12 -4.94 117.00 125.38 2bk3 n LEU 56 Ca 0.12 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2bk3 n LEU 56 Cb 0.47 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2bk3 n LEU 56 CO 0.58 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2bk3 n GLY 57 N 1.39 4.72 3.66 -0.72 0.00 -1.23 -4.75 105.19 108.25 2bk3 n GLY 57 Ca 0.01 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2bk3 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 58 N 5.00 0.33 0.97 -0.02 0.00 -0.54 -4.84 105.19 106.09 2bk3 n GLY 58 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2bk3 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bk3 n SER 59 N 1.00 0.00 -4.81 1.61 2.88 -1.26 -4.68 113.62 108.37 2bk3 n SER 59 Ca 0.07 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.24 2bk3 n SER 59 Cb 0.34 0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.79 2bk3 n SER 59 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2bk3 s TYR 60 N -1.48 3.69 0.09 0.66 1.51 -1.26 -4.21 117.35 116.35 2bk3 s TYR 60 Ca 0.00 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.51 2bk3 s TYR 60 Cb 0.00 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 2bk3 s TYR 60 CO 0.00 0.36 -0.03 0.14 -1.11 0.00 0.00 175.55 174.91 2bk3 s VAL 61 N -1.47 0.41 0.22 0.71 -7.23 -0.30 -4.89 120.40 107.85 2bk3 s VAL 61 Ca 0.42 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.60 2bk3 s VAL 61 Cb -0.18 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.11 2bk3 s VAL 61 CO 0.22 -0.85 0.58 0.61 -0.31 0.00 0.00 175.10 175.35 2bk3 n GLY 62 N 0.00 1.16 3.66 2.32 0.00 -1.25 -0.57 105.19 110.51 2bk3 n GLY 62 Ca -0.12 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2bk3 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bk3 n PRO 63 N -0.40 1.43 -0.27 1.61 -0.04 -1.25 -2.11 135.00 133.96 2bk3 n PRO 63 Ca -0.04 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 2bk3 n PRO 63 Cb 0.39 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 2bk3 n PRO 63 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bk3 n THR 64 N -0.86 0.00 -2.35 0.52 -2.24 -1.26 -4.77 114.28 103.32 2bk3 n THR 64 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 2bk3 n THR 64 Cb 0.42 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2bk3 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk3 n GLN 65 N -2.00 4.38 0.19 -0.78 6.02 -0.90 -4.80 117.38 119.49 2bk3 n GLN 65 Ca 0.00 -3.82 0.07 0.00 -0.01 0.00 0.00 57.00 53.25 2bk3 n GLN 65 Cb 0.00 -2.69 0.26 0.00 1.02 0.00 0.00 30.24 28.83 2bk3 n GLN 65 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2bk3 h ASN 66 N 5.05 0.00 -0.01 1.08 2.35 -1.90 -2.96 115.58 119.19 2bk3 h ASN 66 Ca 0.50 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.23 2bk3 h ASN 66 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2bk3 h ASN 66 CO 1.47 0.30 -0.08 0.03 -1.65 0.00 0.00 177.43 177.50 2bk3 h ARG 67 N 0.00 0.06 -0.63 0.81 3.08 -1.91 -1.06 114.38 114.74 2bk3 h ARG 67 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2bk3 h ARG 67 Cb 1.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 2bk3 h ARG 67 CO 0.04 0.79 0.31 0.97 -1.07 0.00 0.00 179.97 181.01 2bk3 h ILE 68 N -0.64 1.20 -0.44 2.04 6.09 -1.83 -0.95 117.51 122.97 2bk3 h ILE 68 Ca -0.01 -0.56 -0.09 0.00 -1.37 0.00 0.00 64.86 62.83 2bk3 h ILE 68 Cb 0.81 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.48 2bk3 h ILE 68 CO 0.02 0.24 -0.06 -0.07 -3.07 0.00 0.00 178.15 175.20 2bk3 h LEU 69 N 0.89 0.82 -0.26 2.19 3.38 -1.51 -0.98 115.31 119.84 2bk3 h LEU 69 Ca 0.22 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2bk3 h LEU 69 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2bk3 h LEU 69 CO -0.03 0.97 -0.00 -0.09 0.09 0.00 0.00 178.44 179.38 2bk3 h ARG 70 N 0.66 0.45 -0.42 1.13 1.12 -1.07 -1.64 114.38 114.62 2bk3 h ARG 70 Ca 0.12 -0.15 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 2bk3 h ARG 70 Cb 0.58 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.48 2bk3 h ARG 70 CO 0.03 0.62 0.22 1.25 -3.11 0.00 0.00 179.97 178.99 2bk3 h LEU 71 N 0.23 0.53 -0.50 3.80 5.85 -1.11 -1.53 115.31 122.58 2bk3 h LEU 71 Ca 0.07 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2bk3 h LEU 71 Cb 0.42 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2bk3 h LEU 71 CO 0.01 0.49 0.18 0.00 -0.34 0.00 0.00 178.44 178.78 2bk3 h ALA 72 N 1.07 0.66 -0.43 1.25 0.00 -1.20 -2.39 119.26 118.22 2bk3 h ALA 72 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bk3 h ALA 72 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2bk3 h ALA 72 CO -0.02 0.29 0.29 -0.22 0.00 0.00 0.00 179.25 179.58 2bk3 h LYS 73 N 0.68 0.57 -0.81 0.00 3.64 -1.06 -1.43 116.57 118.17 2bk3 h LYS 73 Ca 0.17 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 2bk3 h LYS 73 Cb 0.23 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 2bk3 h LYS 73 CO -0.01 0.38 0.53 1.49 -2.27 0.00 0.00 179.45 179.56 2bk3 h GLU 74 N 0.59 0.64 -0.00 1.90 4.81 -1.15 -0.05 114.58 121.32 2bk3 h GLU 74 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2bk3 h GLU 74 Cb -0.07 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2bk3 h GLU 74 CO -0.03 0.43 -0.00 1.28 -0.73 0.00 0.00 179.01 179.95 2bk3 n LEU 75 N -4.52 0.15 0.00 1.64 4.77 -0.73 -4.90 117.00 113.42 2bk3 n LEU 75 Ca 0.14 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2bk3 n LEU 75 Cb 0.39 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2bk3 n LEU 75 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2bk3 n GLY 76 N 1.06 0.73 3.88 -0.72 0.00 -0.03 -5.06 105.19 105.05 2bk3 n GLY 76 Ca 0.22 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2bk3 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk3 s LEU 77 N 0.00 4.11 0.23 0.99 1.43 -0.62 -5.01 118.68 119.81 2bk3 s LEU 77 Ca 0.00 0.90 0.11 0.00 -1.03 0.00 0.00 54.13 54.11 2bk3 s LEU 77 Cb 0.00 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2bk3 s LEU 77 CO 0.00 -0.13 -0.22 -1.61 0.23 0.00 0.00 176.35 174.62 2bk3 s GLU 78 N -3.08 1.56 0.31 1.70 2.02 -1.26 -4.28 118.70 115.67 2bk3 s GLU 78 Ca 0.47 -1.62 0.08 0.00 0.02 0.00 0.00 54.97 53.92 2bk3 s GLU 78 Cb -0.11 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 2bk3 s GLU 78 CO 0.24 0.36 0.18 0.95 0.02 0.00 0.00 175.26 177.01 2bk3 s THR 79 N -2.05 3.54 0.10 3.63 -4.23 -1.26 -1.05 115.64 114.31 2bk3 s THR 79 Ca 0.24 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2bk3 s THR 79 Cb -0.07 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 2bk3 s THR 79 CO 0.12 -0.24 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.18 2bk3 s TYR 80 N -2.31 0.84 -0.06 3.99 -0.85 -0.31 -4.79 117.35 113.86 2bk3 s TYR 80 Ca 0.37 -0.96 -0.26 0.00 -0.52 0.00 0.00 57.07 55.70 2bk3 s TYR 80 Cb -0.05 -0.50 -0.03 0.00 0.38 0.00 0.00 41.96 41.75 2bk3 s TYR 80 CO 0.24 -0.21 0.80 0.15 -1.52 0.00 0.00 175.55 175.01 2bk3 s LYS 81 N -3.86 4.45 0.32 -3.49 1.02 -1.26 -1.69 119.74 115.23 2bk3 s LYS 81 Ca 0.12 1.06 -0.29 0.00 0.02 0.00 0.00 55.97 56.88 2bk3 s LYS 81 Cb 0.06 -3.47 -0.11 0.00 -0.52 0.00 0.00 37.83 33.79 2bk3 s LYS 81 CO -0.05 -0.03 1.54 0.08 -0.92 0.00 0.00 175.35 175.97 2bk3 s VAL 82 N 1.07 2.12 -0.13 3.17 1.01 0.31 -4.89 120.40 123.05 2bk3 s VAL 82 Ca 0.42 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 2bk3 s VAL 82 Cb -0.18 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2bk3 s VAL 82 CO 0.20 0.02 1.83 0.21 0.00 0.00 0.00 175.10 177.36 2bk3 s ASN 83 N 0.23 6.25 -0.09 3.32 2.47 -1.26 -4.84 114.94 121.03 2bk3 s ASN 83 Ca 0.59 2.02 0.25 0.00 0.42 0.00 0.00 52.86 56.14 2bk3 s ASN 83 Cb -0.47 -2.53 0.46 0.00 -1.45 0.00 0.00 41.25 37.26 2bk3 s ASN 83 CO 0.53 -1.30 1.15 1.21 -3.72 0.00 0.00 177.10 174.97 2bk3 n GLU 84 N 7.77 0.60 -0.04 0.43 2.13 -1.26 -4.70 120.64 125.57 2bk3 n GLU 84 Ca 0.21 -2.52 -0.15 0.00 0.66 0.00 0.00 57.16 55.36 2bk3 n GLU 84 Cb 0.44 -0.55 -0.08 0.00 0.27 0.00 0.00 31.44 31.51 2bk3 n GLU 84 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bk3 h VAL 85 N 6.51 1.37 -3.09 6.31 2.07 -1.92 -3.47 116.25 124.04 2bk3 h VAL 85 Ca -0.20 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.64 2bk3 h VAL 85 Cb 1.68 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2bk3 h VAL 85 CO 0.13 0.50 0.00 -0.62 0.02 0.00 0.00 177.57 177.60 2bk3 n GLU 86 N -4.34 0.98 -2.82 1.57 4.71 -1.26 -5.00 120.64 114.48 2bk3 n GLU 86 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.72 2bk3 n GLU 86 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.89 2bk3 n GLU 86 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2bk3 s ARG 87 N -1.48 4.46 0.59 3.49 0.52 -0.40 -4.26 118.95 121.87 2bk3 s ARG 87 Ca 0.00 1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 56.37 2bk3 s ARG 87 Cb 0.00 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 2bk3 s ARG 87 CO 0.00 0.21 0.93 -0.51 0.02 0.00 0.00 175.30 175.95 2bk3 s LEU 88 N -2.35 3.28 -0.08 2.53 1.02 -0.01 -0.67 118.68 122.40 2bk3 s LEU 88 Ca 0.53 0.99 0.03 0.00 0.02 0.00 0.00 54.13 55.70 2bk3 s LEU 88 Cb -0.16 -3.90 0.01 0.00 0.02 0.00 0.00 46.19 42.16 2bk3 s LEU 88 CO 0.21 -0.94 -0.18 -0.63 0.02 0.00 0.00 176.35 174.83 2bk3 s ILE 89 N -3.03 1.59 -0.28 -0.59 1.01 -0.57 -0.61 121.20 118.72 2bk3 s ILE 89 Ca 0.53 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 2bk3 s ILE 89 Cb -0.11 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 2bk3 s ILE 89 CO 0.48 0.46 0.11 -2.28 0.00 0.00 0.00 174.94 173.71 2bk3 s HIS 90 N 0.51 3.13 -0.35 3.97 5.65 -0.70 -0.01 115.29 127.49 2bk3 s HIS 90 Ca -0.17 -0.46 -0.10 0.00 0.25 0.00 0.00 55.06 54.58 2bk3 s HIS 90 Cb -0.17 -2.29 0.01 0.00 -1.18 0.00 0.00 32.58 28.95 2bk3 s HIS 90 CO 0.06 -0.39 0.19 -1.58 -0.65 0.00 0.00 174.74 172.37 2bk3 s HIS 91 N 1.62 3.22 -0.03 3.88 2.46 0.38 -0.61 115.29 126.20 2bk3 s HIS 91 Ca 0.06 -0.80 0.02 0.00 0.47 0.00 0.00 55.06 54.81 2bk3 s HIS 91 Cb -0.16 -2.41 0.01 0.00 -0.13 0.00 0.00 32.58 29.89 2bk3 s HIS 91 CO 0.05 -0.57 -0.07 0.54 -2.47 0.00 0.00 174.74 172.22 2bk3 s VAL 92 N 1.58 0.66 -1.42 0.89 0.11 -0.34 -1.57 120.40 120.30 2bk3 s VAL 92 Ca 0.03 -0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 58.80 2bk3 s VAL 92 Cb -0.18 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2bk3 s VAL 92 CO 0.07 0.23 0.60 0.29 -3.33 0.00 0.00 175.10 172.96 2bk3 n LYS 93 N 3.64 -4.03 -1.04 1.54 5.02 -1.26 -2.16 118.16 119.87 2bk3 n LYS 93 Ca -0.22 0.49 -0.01 0.00 -2.02 0.00 0.00 58.31 56.55 2bk3 n LYS 93 Cb 0.53 -4.89 -0.01 0.00 -0.02 0.00 0.00 35.03 30.64 2bk3 n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bk3 n GLY 94 N -1.77 0.50 3.02 0.72 0.00 -1.26 -5.02 105.19 101.37 2bk3 n GLY 94 Ca -0.23 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 2bk3 n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bk3 s LYS 95 N -1.04 0.51 -0.15 1.61 2.20 -0.92 -5.09 119.74 116.87 2bk3 s LYS 95 Ca 0.00 -0.46 -0.13 0.00 -0.36 0.00 0.00 55.97 55.01 2bk3 s LYS 95 Cb 0.00 -0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 35.86 2bk3 s LYS 95 CO 0.00 0.10 0.29 -1.12 -0.36 0.00 0.00 175.35 174.25 2bk3 s SER 96 N -0.79 6.44 -0.31 1.43 0.01 -1.26 -1.20 113.70 118.04 2bk3 s SER 96 Ca -0.03 0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.77 2bk3 s SER 96 Cb -0.06 -2.18 0.09 0.00 0.21 0.00 0.00 66.02 64.08 2bk3 s SER 96 CO 0.00 0.13 0.03 -0.31 0.41 0.00 0.00 173.24 173.49 2bk3 s TYR 97 N 0.31 3.00 0.49 2.43 1.51 0.22 -4.98 117.35 120.33 2bk3 s TYR 97 Ca 0.16 -2.42 -0.22 0.00 -1.01 0.00 0.00 57.07 53.59 2bk3 s TYR 97 Cb -0.13 -2.30 -0.07 0.00 -0.11 0.00 0.00 41.96 39.35 2bk3 s TYR 97 CO 0.04 -0.89 1.16 -2.14 -1.11 0.00 0.00 175.55 172.60 2bk3 s PRO 98 N 1.17 3.62 0.27 -1.71 0.02 -1.26 -1.72 135.00 135.39 2bk3 s PRO 98 Ca 0.06 1.73 -0.18 0.00 0.02 0.00 0.00 61.00 62.63 2bk3 s PRO 98 Cb -0.19 -2.27 0.01 0.00 0.02 0.00 0.00 34.50 32.07 2bk3 s PRO 98 CO -0.11 -0.66 0.62 -0.59 -0.33 0.00 0.00 177.00 175.93 2bk3 s PHE 99 N -1.62 0.04 0.12 6.54 -0.12 0.22 -4.93 117.98 118.24 2bk3 s PHE 99 Ca 0.67 -0.47 0.07 0.00 -0.05 0.00 0.00 56.93 57.15 2bk3 s PHE 99 Cb -0.27 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 2bk3 s PHE 99 CO 0.32 -1.15 -0.18 1.03 -0.05 0.00 0.00 175.22 175.20 2bk3 s ARG 100 N -3.92 1.11 0.00 1.99 0.52 -1.26 -0.83 118.95 116.55 2bk3 s ARG 100 Ca 0.16 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 2bk3 s ARG 100 Cb -0.04 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.25 2bk3 s ARG 100 CO 0.08 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.06 2bk3 n GLY 101 N 0.73 -0.06 0.22 -3.53 0.00 -1.26 -4.80 105.19 96.49 2bk3 n GLY 101 Ca -0.17 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 2bk3 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk3 h PRO 102 N 0.00 0.57 -5.36 1.61 0.13 -1.96 -3.44 132.00 123.55 2bk3 h PRO 102 Ca 0.00 -0.31 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 2bk3 h PRO 102 Cb 0.00 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 31.03 2bk3 h PRO 102 CO 0.00 0.91 -0.37 -0.06 -0.23 0.00 0.00 178.00 178.25 2bk3 s PHE 103 N -4.16 3.41 -0.00 1.56 0.40 -1.26 -4.92 117.98 113.00 2bk3 s PHE 103 Ca -0.07 0.48 -0.30 0.00 -0.60 0.00 0.00 56.93 56.44 2bk3 s PHE 103 Cb 0.12 -2.33 -0.08 0.00 0.51 0.00 0.00 43.02 41.24 2bk3 s PHE 103 CO 0.83 0.17 1.99 -2.14 0.70 0.00 0.00 175.22 176.77 2bk3 s PRO 104 N 0.72 4.01 0.61 0.24 0.02 -1.26 -4.95 135.00 134.38 2bk3 s PRO 104 Ca 0.14 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 63.58 2bk3 s PRO 104 Cb -0.13 -4.19 -0.03 0.00 0.02 0.00 0.00 34.50 30.17 2bk3 s PRO 104 CO 0.04 -1.11 1.00 -1.25 -0.33 0.00 0.00 177.00 175.35 2bk3 s PRO 105 N 4.70 3.52 0.06 5.54 0.04 -1.26 -5.10 135.00 142.50 2bk3 s PRO 105 Ca 0.90 0.63 0.02 0.00 0.04 0.00 0.00 61.00 62.58 2bk3 s PRO 105 Cb -0.41 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2bk3 s PRO 105 CO 0.40 -0.56 -0.07 0.14 0.04 0.00 0.00 177.00 176.96 2bk3 s VAL 106 N -3.13 0.55 -0.15 -0.36 -7.23 -1.26 -5.09 120.40 103.74 2bk3 s VAL 106 Ca 0.54 -1.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 2bk3 s VAL 106 Cb -0.11 -0.98 -0.12 0.00 0.56 0.00 0.00 36.38 35.73 2bk3 s VAL 106 CO 0.52 -0.57 -0.08 0.79 -0.31 0.00 0.00 175.10 175.45 2bk3 n TRP 107 N 0.93 0.00 -1.76 2.82 7.02 -1.26 -4.79 117.44 120.40 2bk3 n TRP 107 Ca -0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.87 2bk3 n TRP 107 Cb 0.57 -0.61 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 2bk3 n TRP 107 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2bk3 s ASN 108 N -5.20 6.41 0.21 -0.99 3.84 -1.26 -4.89 114.94 113.06 2bk3 s ASN 108 Ca -0.16 2.82 -0.09 0.00 0.21 0.00 0.00 52.86 55.64 2bk3 s ASN 108 Cb 0.05 -2.60 0.15 0.00 -0.55 0.00 0.00 41.25 38.30 2bk3 s ASN 108 CO 0.41 -0.95 1.79 -0.65 -2.79 0.00 0.00 177.10 174.91 2bk3 h PRO 109 N 6.96 1.12 -0.26 0.43 0.11 -1.99 0.17 132.00 138.54 2bk3 h PRO 109 Ca -0.43 -0.18 -0.07 0.00 0.11 0.00 0.00 66.00 65.43 2bk3 h PRO 109 Cb 1.20 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2bk3 h PRO 109 CO 0.95 0.88 -0.11 0.82 -0.21 0.00 0.00 178.00 180.34 2bk3 h ILE 110 N 1.09 1.30 -0.89 4.15 1.08 -2.00 -2.25 117.51 119.98 2bk3 h ILE 110 Ca 0.26 -1.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.57 2bk3 h ILE 110 Cb 0.15 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 2bk3 h ILE 110 CO -0.03 0.37 0.59 0.74 -0.69 0.00 0.00 178.15 179.13 2bk3 h THR 111 N 0.27 1.22 -0.22 -0.27 2.02 -1.89 -1.47 112.91 112.57 2bk3 h THR 111 Ca 0.06 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.84 2bk3 h THR 111 Cb 0.61 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2bk3 h THR 111 CO 0.03 0.22 0.11 0.22 0.37 0.00 0.00 175.52 176.48 2bk3 h TYR 112 N 1.20 0.21 -0.77 3.16 5.03 -0.49 -0.10 116.97 125.22 2bk3 h TYR 112 Ca 0.33 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.63 2bk3 h TYR 112 Cb -0.13 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.05 2bk3 h TYR 112 CO -0.00 0.12 0.41 -0.07 -1.32 0.00 0.00 178.16 177.31 2bk3 h LEU 113 N 0.24 0.96 -0.18 2.82 3.38 -1.00 -0.66 115.31 120.87 2bk3 h LEU 113 Ca 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2bk3 h LEU 113 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2bk3 h LEU 113 CO -0.06 0.79 0.01 -0.78 0.09 0.00 0.00 178.44 178.49 2bk3 h ASP 114 N 1.06 0.31 0.08 -0.43 3.58 -1.04 -0.91 116.42 119.07 2bk3 h ASP 114 Ca 0.27 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2bk3 h ASP 114 Cb 0.04 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2bk3 h ASP 114 CO -0.04 0.53 -0.04 0.45 -2.88 0.00 0.00 179.24 177.25 2bk3 h HIS 115 N 0.08 -0.10 -0.69 0.28 3.86 -0.93 -1.56 115.15 116.07 2bk3 h HIS 115 Ca 0.05 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.36 2bk3 h HIS 115 Cb 0.36 0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.79 2bk3 h HIS 115 CO 0.03 -0.05 0.31 -0.97 0.86 0.00 0.00 177.93 178.11 2bk3 h ASN 116 N -0.12 0.36 -0.15 2.45 -0.73 -1.10 -2.59 115.58 113.69 2bk3 h ASN 116 Ca -0.01 0.08 -0.13 0.00 1.87 0.00 0.00 56.30 58.11 2bk3 h ASN 116 Cb 0.10 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 2bk3 h ASN 116 CO 0.02 0.20 -0.33 -1.13 -0.37 0.00 0.00 177.43 175.81 2bk3 h ASN 117 N 0.52 0.69 0.44 1.15 -0.73 -1.04 -2.54 115.58 114.06 2bk3 h ASN 117 Ca 0.35 -0.28 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 2bk3 h ASN 117 Cb 0.43 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.83 2bk3 h ASN 117 CO -0.31 0.97 -0.21 0.15 -0.37 0.00 0.00 177.43 177.66 2bk3 h PHE 118 N 0.56 -0.54 -0.50 0.67 3.57 -0.89 -0.33 116.94 119.48 2bk3 h PHE 118 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2bk3 h PHE 118 Cb 0.84 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2bk3 h PHE 118 CO 0.04 -0.32 0.29 -1.49 -2.23 0.00 0.00 178.31 174.60 2bk3 h TRP 119 N -0.61 0.67 -0.71 0.41 4.06 -1.56 -1.85 115.95 116.36 2bk3 h TRP 119 Ca -0.06 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.89 2bk3 h TRP 119 Cb 0.46 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 2bk3 h TRP 119 CO -0.04 0.48 0.47 -0.09 -3.56 0.00 0.00 178.44 175.70 2bk3 h ARG 120 N 0.67 0.92 -0.44 0.49 2.43 -1.41 -2.74 114.38 114.30 2bk3 h ARG 120 Ca 0.18 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 2bk3 h ARG 120 Cb 0.01 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2bk3 h ARG 120 CO -0.03 0.61 -0.22 1.15 -1.51 0.00 0.00 179.97 179.97 2bk3 h THR 121 N 0.95 1.27 -0.55 0.20 2.02 -0.84 0.13 112.91 116.10 2bk3 h THR 121 Ca 0.27 -1.38 0.11 0.00 0.77 0.00 0.00 66.41 66.18 2bk3 h THR 121 Cb -0.09 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 2bk3 h THR 121 CO -0.07 0.47 -0.03 0.24 0.37 0.00 0.00 175.52 176.51 2bk3 h MET 122 N 0.77 0.09 -0.18 6.66 2.86 -1.18 0.29 114.93 124.23 2bk3 h MET 122 Ca 0.10 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 2bk3 h MET 122 Cb 0.80 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2bk3 h MET 122 CO 0.07 0.06 -0.56 -0.44 1.06 0.00 0.00 176.91 177.10 2bk3 h ASP 123 N 0.09 0.61 -0.21 1.22 3.32 -1.21 -1.83 116.42 118.42 2bk3 h ASP 123 Ca 0.28 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2bk3 h ASP 123 Cb 0.44 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2bk3 h ASP 123 CO -0.49 1.04 0.12 0.44 -1.72 0.00 0.00 179.24 178.64 2bk3 h ASP 124 N 0.42 0.25 -0.50 6.45 3.32 -0.41 -2.07 116.42 123.88 2bk3 h ASP 124 Ca 0.01 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 2bk3 h ASP 124 Cb 1.10 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2bk3 h ASP 124 CO 0.10 0.24 0.12 0.24 -1.72 0.00 0.00 179.24 178.22 2bk3 h MET 125 N 0.24 0.80 -0.59 3.56 2.86 -0.96 -2.87 114.93 117.98 2bk3 h MET 125 Ca 0.07 -0.19 0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2bk3 h MET 125 Cb 0.03 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2bk3 h MET 125 CO -0.01 0.77 0.40 0.78 1.06 0.00 0.00 176.91 179.90 2bk3 h GLY 126 N 0.69 0.50 2.00 8.32 0.00 -1.06 -2.06 103.07 111.45 2bk3 h GLY 126 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2bk3 h GLY 126 CO 0.00 0.08 0.00 3.21 0.00 0.00 0.00 176.54 179.83 2bk3 h ARG 127 N 0.34 0.00 -0.23 4.80 3.08 -1.14 -1.64 114.38 119.59 2bk3 h ARG 127 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2bk3 h ARG 127 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2bk3 h ARG 127 CO -0.07 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.22 2bk3 n GLU 128 N -2.87 2.15 -3.82 0.04 -0.58 -0.77 -4.85 120.64 109.94 2bk3 n GLU 128 Ca -0.02 -1.72 -0.36 0.00 -0.42 0.00 0.00 57.16 54.64 2bk3 n GLU 128 Cb 0.13 -1.46 -0.13 0.00 -0.57 0.00 0.00 31.44 29.41 2bk3 n GLU 128 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2bk3 s ILE 129 N -1.71 3.48 0.18 -3.67 1.01 -0.62 -4.21 121.20 115.66 2bk3 s ILE 129 Ca 0.35 -1.12 -0.32 0.00 0.00 0.00 0.00 60.65 59.56 2bk3 s ILE 129 Cb 0.20 -2.93 -0.11 0.00 0.01 0.00 0.00 42.46 39.64 2bk3 s ILE 129 CO 0.30 -0.07 1.70 -2.84 0.00 0.00 0.00 174.94 174.03 2bk3 s PRO 130 N 1.37 4.15 0.23 2.79 0.02 -1.26 -4.91 135.00 137.39 2bk3 s PRO 130 Ca -0.02 2.55 -0.06 0.00 0.02 0.00 0.00 61.00 63.49 2bk3 s PRO 130 Cb -0.19 -3.18 0.37 0.00 0.02 0.00 0.00 34.50 31.52 2bk3 s PRO 130 CO 0.01 -0.74 1.78 0.77 -0.33 0.00 0.00 177.00 178.49 2bk3 h SER 131 N 7.11 0.49 -0.04 2.53 0.02 -1.95 -2.25 113.55 119.46 2bk3 h SER 131 Ca -0.43 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2bk3 h SER 131 Cb 1.20 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2bk3 h SER 131 CO 0.95 0.27 0.00 -0.90 -1.14 0.00 0.00 176.83 176.01 2bk3 n ASP 132 N -4.85 1.42 -2.72 3.07 5.75 -1.26 -4.51 116.55 113.44 2bk3 n ASP 132 Ca 0.12 -1.51 -0.07 0.00 -0.01 0.00 0.00 54.79 53.32 2bk3 n ASP 132 Cb 0.30 -0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.43 2bk3 n ASP 132 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bk3 n ALA 133 N 0.12 -2.02 0.06 2.12 0.00 -0.92 -5.02 120.51 114.85 2bk3 n ALA 133 Ca 0.19 -1.08 0.10 0.00 0.00 0.00 0.00 53.44 52.64 2bk3 n ALA 133 Cb 0.33 -1.89 0.55 0.00 0.00 0.00 0.00 19.45 18.44 2bk3 n ALA 133 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bk3 h PRO 134 N 3.67 0.25 0.00 0.00 0.13 -1.65 0.01 132.00 134.41 2bk3 h PRO 134 Ca -0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2bk3 h PRO 134 Cb 1.09 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2bk3 h PRO 134 CO 0.17 0.17 0.00 -2.67 -0.23 0.00 0.00 178.00 175.44 2bk3 n TRP 135 N -4.48 0.00 1.20 1.56 2.14 -1.26 -1.64 117.44 114.96 2bk3 n TRP 135 Ca 0.04 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.73 2bk3 n TRP 135 Cb 0.23 -0.41 0.35 0.00 -0.81 0.00 0.00 31.31 30.66 2bk3 n TRP 135 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2bk3 n LYS 136 N -1.41 1.95 -1.73 -2.67 5.02 -0.01 -4.81 118.16 114.50 2bk3 n LYS 136 Ca 0.02 -1.39 -0.42 0.00 -2.02 0.00 0.00 58.31 54.49 2bk3 n LYS 136 Cb 0.05 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 2bk3 n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bk3 n ALA 137 N 0.66 1.78 -0.35 7.82 0.00 -0.65 -4.89 120.51 124.89 2bk3 n ALA 137 Ca 0.17 0.36 0.15 0.00 0.00 0.00 0.00 53.44 54.13 2bk3 n ALA 137 Cb 0.45 -2.34 0.36 0.00 0.00 0.00 0.00 19.45 17.92 2bk3 n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bk3 h PRO 138 N 3.17 0.66 -0.64 0.00 0.11 -1.92 -0.93 132.00 132.44 2bk3 h PRO 138 Ca -0.47 -0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.24 2bk3 h PRO 138 Cb 1.26 -0.15 -0.21 0.00 0.11 0.00 0.00 31.00 32.02 2bk3 h PRO 138 CO 0.67 0.43 0.20 1.28 -0.21 0.00 0.00 178.00 180.37 2bk3 n LEU 139 N -4.79 5.34 -0.17 2.35 4.77 -1.26 -4.79 117.00 118.44 2bk3 n LEU 139 Ca 0.25 -3.82 -0.01 0.00 -0.03 0.00 0.00 56.01 52.39 2bk3 n LEU 139 Cb 0.65 -0.72 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 2bk3 n LEU 139 CO 0.20 1.26 0.86 0.00 -1.33 0.00 0.00 177.39 178.38 2bk3 h ALA 140 N 1.14 0.55 -0.10 -1.18 0.00 -1.48 -0.90 119.26 117.29 2bk3 h ALA 140 Ca 0.40 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2bk3 h ALA 140 Cb 2.01 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 20.04 2bk3 h ALA 140 CO 0.75 -0.37 -0.02 0.93 0.00 0.00 0.00 179.25 180.54 2bk3 h GLU 141 N 0.15 0.20 -0.47 0.00 5.08 -1.87 0.51 114.58 118.18 2bk3 h GLU 141 Ca 0.28 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2bk3 h GLU 141 Cb 0.42 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2bk3 h GLU 141 CO -0.43 0.49 0.25 1.49 -1.00 0.00 0.00 179.01 179.81 2bk3 h GLU 142 N -0.11 0.49 -0.03 2.33 4.81 -1.86 -1.64 114.58 118.57 2bk3 h GLU 142 Ca 0.03 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2bk3 h GLU 142 Cb 0.41 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2bk3 h GLU 142 CO 0.01 0.33 -0.63 -1.49 -0.73 0.00 0.00 179.01 176.49 2bk3 h TRP 143 N 0.51 0.14 0.00 0.92 6.55 -1.12 -3.15 115.95 119.80 2bk3 h TRP 143 Ca 0.20 -0.06 -0.03 0.00 0.95 0.00 0.00 58.89 59.95 2bk3 h TRP 143 Cb 0.07 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.34 2bk3 h TRP 143 CO -0.09 0.71 -0.14 0.22 -1.05 0.00 0.00 178.44 178.09 2bk3 h ASP 144 N 0.08 0.00 -0.27 -3.49 3.58 -0.59 -2.06 116.42 113.68 2bk3 h ASP 144 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2bk3 h ASP 144 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2bk3 h ASP 144 CO 0.09 0.14 0.00 0.59 -2.88 0.00 0.00 179.24 177.18 2bk3 n ASN 145 N -3.17 1.92 -4.41 2.28 3.02 -0.65 -0.66 115.26 113.60 2bk3 n ASN 145 Ca 0.02 -1.84 -0.31 0.00 -0.03 0.00 0.00 54.58 52.43 2bk3 n ASN 145 Cb 0.51 -0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.37 2bk3 n ASN 145 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2bk3 s MET 146 N -1.65 1.96 0.66 3.52 -1.94 -1.21 -4.92 119.30 115.71 2bk3 s MET 146 Ca 0.30 -1.03 -0.09 0.00 -1.71 0.00 0.00 55.69 53.15 2bk3 s MET 146 Cb 0.16 -2.10 0.01 0.00 2.01 0.00 0.00 34.83 34.91 2bk3 s MET 146 CO 0.23 0.53 1.02 0.95 -0.01 0.00 0.00 175.02 177.74 2bk3 s THR 147 N -0.87 3.64 0.46 2.05 -4.23 -1.26 -0.87 115.64 114.57 2bk3 s THR 147 Ca 0.13 0.33 0.19 0.00 -1.18 0.00 0.00 61.69 61.17 2bk3 s THR 147 Cb -0.10 -3.50 0.23 0.00 1.34 0.00 0.00 72.50 70.47 2bk3 s THR 147 CO 0.04 -0.61 2.05 0.24 -0.54 0.00 0.00 174.62 175.80 2bk3 h MET 148 N -0.45 0.00 -0.34 3.99 2.86 -0.74 -2.21 114.93 118.04 2bk3 h MET 148 Ca -0.45 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 2bk3 h MET 148 Cb 1.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 2bk3 h MET 148 CO 0.63 0.13 0.19 -0.22 1.06 0.00 0.00 176.91 178.70 2bk3 h LYS 149 N 0.00 0.47 -0.44 1.72 3.64 -1.57 -0.45 116.57 119.93 2bk3 h LYS 149 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2bk3 h LYS 149 Cb 0.26 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2bk3 h LYS 149 CO 0.02 0.39 0.27 0.93 -2.27 0.00 0.00 179.45 178.79 2bk3 h GLU 150 N 0.43 0.60 -0.11 1.90 5.08 -1.77 -1.14 114.58 119.56 2bk3 h GLU 150 Ca 0.12 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2bk3 h GLU 150 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2bk3 h GLU 150 CO -0.02 0.43 0.01 1.25 -1.00 0.00 0.00 179.01 179.68 2bk3 h LEU 151 N 0.59 -0.03 -1.14 1.33 5.85 -1.21 -2.58 115.31 118.12 2bk3 h LEU 151 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2bk3 h LEU 151 Cb -0.02 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2bk3 h LEU 151 CO -0.03 0.00 0.34 -0.07 -0.34 0.00 0.00 178.44 178.34 2bk3 h LEU 152 N 0.04 0.84 -1.29 2.25 3.38 -0.96 -0.73 115.31 118.85 2bk3 h LEU 152 Ca 0.05 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2bk3 h LEU 152 Cb 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2bk3 h LEU 152 CO -0.08 0.70 0.49 0.44 0.09 0.00 0.00 178.44 180.08 2bk3 h ASP 153 N 0.94 0.83 0.07 -0.43 3.32 -0.95 -0.06 116.42 120.13 2bk3 h ASP 153 Ca 0.23 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 57.01 2bk3 h ASP 153 Cb 0.07 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 39.44 2bk3 h ASP 153 CO -0.03 0.59 -1.03 0.11 -1.72 0.00 0.00 179.24 177.16 2bk3 h LYS 154 N 0.97 0.57 0.19 3.56 1.57 -1.05 -3.38 116.57 119.00 2bk3 h LYS 154 Ca 0.28 -0.71 -0.32 0.00 -1.87 0.00 0.00 60.65 58.03 2bk3 h LYS 154 Cb -0.07 0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.48 2bk3 h LYS 154 CO -0.07 1.30 -1.45 1.25 -0.57 0.00 0.00 179.45 179.91 2bk3 h LEU 155 N 0.16 0.64 -8.74 2.94 5.85 -0.98 -3.44 115.31 111.74 2bk3 h LEU 155 Ca -0.15 -0.73 -0.65 0.00 0.84 0.00 0.00 57.88 57.19 2bk3 h LEU 155 Cb 1.72 -0.21 -0.15 0.00 0.37 0.00 0.00 40.66 42.39 2bk3 h LEU 155 CO 0.20 1.58 -0.02 0.00 -0.34 0.00 0.00 178.44 179.86 2bk3 n TRP 157 N 5.81 0.23 -4.44 0.00 7.02 -1.26 -4.85 117.44 119.95 2bk3 n TRP 157 Ca -0.04 0.07 -0.29 0.00 -1.02 0.00 0.00 57.50 56.21 2bk3 n TRP 157 Cb 0.49 -0.43 -0.13 0.00 -2.42 0.00 0.00 31.31 28.81 2bk3 n TRP 157 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2bk3 s THR 158 N -3.07 2.34 0.35 -0.99 -4.23 -1.26 -5.03 115.64 103.75 2bk3 s THR 158 Ca 0.09 -1.67 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 2bk3 s THR 158 Cb 0.16 -2.03 0.15 0.00 1.34 0.00 0.00 72.50 72.12 2bk3 s THR 158 CO 0.70 0.13 1.88 -0.33 -0.54 0.00 0.00 174.62 176.45 2bk3 h GLU 159 N 3.97 0.45 -0.22 3.99 4.39 -2.00 -2.64 114.58 122.53 2bk3 h GLU 159 Ca -0.50 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.14 2bk3 h GLU 159 Cb 1.17 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 2bk3 h GLU 159 CO 0.41 0.52 -0.03 1.03 -1.16 0.00 0.00 179.01 179.78 2bk3 h SER 160 N 0.43 -0.14 -0.28 1.42 0.87 -1.99 -1.26 113.55 112.61 2bk3 h SER 160 Ca 0.09 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2bk3 h SER 160 Cb 0.35 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2bk3 h SER 160 CO 0.01 -0.04 -0.05 0.00 -0.53 0.00 0.00 176.83 176.23 2bk3 h ALA 161 N 1.20 0.38 -0.78 6.23 0.00 -1.88 -2.59 119.26 121.81 2bk3 h ALA 161 Ca 0.10 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2bk3 h ALA 161 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2bk3 h ALA 161 CO -0.20 0.17 0.49 -0.22 0.00 0.00 0.00 179.25 179.49 2bk3 h LYS 162 N 0.28 0.90 -0.50 0.00 3.64 -1.37 0.18 116.57 119.71 2bk3 h LYS 162 Ca 0.07 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2bk3 h LYS 162 Cb 0.51 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2bk3 h LYS 162 CO 0.02 0.60 0.06 1.96 -2.27 0.00 0.00 179.45 179.81 2bk3 h GLN 163 N 0.93 0.84 -0.38 1.90 4.20 -1.20 0.43 115.11 121.83 2bk3 h GLN 163 Ca 0.33 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 2bk3 h GLN 163 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2bk3 h GLN 163 CO -0.14 0.85 -0.00 1.25 -0.67 0.00 0.00 178.83 180.12 2bk3 h LEU 164 N 0.71 0.66 -1.01 1.46 5.85 -1.10 -2.06 115.31 119.83 2bk3 h LEU 164 Ca 0.15 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2bk3 h LEU 164 Cb 0.44 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2bk3 h LEU 164 CO 0.01 0.81 0.59 0.00 -0.34 0.00 0.00 178.44 179.51 2bk3 h ALA 165 N 0.87 1.26 -0.36 1.25 0.00 -0.49 -0.42 119.26 121.38 2bk3 h ALA 165 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2bk3 h ALA 165 Cb 0.47 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bk3 h ALA 165 CO 0.02 0.65 0.06 1.15 0.00 0.00 0.00 179.25 181.13 2bk3 h THR 166 N 1.29 1.24 -0.42 0.00 2.02 -0.84 -1.84 112.91 114.36 2bk3 h THR 166 Ca 0.34 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 66.70 2bk3 h THR 166 Cb -0.09 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2bk3 h THR 166 CO -0.07 0.29 0.23 0.25 0.37 0.00 0.00 175.52 176.59 2bk3 h LEU 167 N 0.44 0.35 -0.33 2.58 6.46 -0.88 -1.19 115.31 122.75 2bk3 h LEU 167 Ca 0.11 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 2bk3 h LEU 167 Cb 0.36 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.16 2bk3 h LEU 167 CO 0.01 0.25 -0.15 0.15 -0.62 0.00 0.00 178.44 178.08 2bk3 h PHE 168 N 0.46 -0.35 -0.03 1.25 3.57 -0.82 -0.57 116.94 120.45 2bk3 h PHE 168 Ca 0.17 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2bk3 h PHE 168 Cb 0.05 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2bk3 h PHE 168 CO -0.09 -0.22 0.02 0.28 -2.23 0.00 0.00 178.31 176.07 2bk3 h VAL 169 N -0.09 1.03 -0.90 1.41 2.07 -1.06 -0.57 116.25 118.13 2bk3 h VAL 169 Ca 0.17 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.71 2bk3 h VAL 169 Cb 0.34 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2bk3 h VAL 169 CO -0.39 0.02 0.55 0.78 0.02 0.00 0.00 177.57 178.56 2bk3 h ASN 170 N 0.01 0.83 0.29 0.57 -0.26 -0.78 -2.10 115.58 114.14 2bk3 h ASN 170 Ca 0.01 0.04 -0.26 0.00 -0.56 0.00 0.00 56.30 55.53 2bk3 h ASN 170 Cb 0.02 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.16 2bk3 h ASN 170 CO -0.00 0.49 -1.08 0.25 -1.06 0.00 0.00 177.43 176.02 2bk3 h LEU 171 N 0.94 0.65 -0.44 1.61 5.85 -0.93 -0.12 115.31 122.87 2bk3 h LEU 171 Ca 0.42 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 2bk3 h LEU 171 Cb 0.32 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2bk3 h LEU 171 CO -0.22 1.38 -0.17 0.00 -0.34 0.00 0.00 178.44 179.09 2bk3 n VAL 173 N -4.21 0.52 -4.33 0.00 0.24 -0.82 -4.97 118.33 104.77 2bk3 n VAL 173 Ca -0.01 -0.58 -0.37 0.00 -2.04 0.00 0.00 64.34 61.35 2bk3 n VAL 173 Cb 0.42 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.33 2bk3 n VAL 173 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bk3 n THR 174 N -0.33 -0.86 -3.87 3.34 -2.24 -0.06 -4.59 114.28 105.66 2bk3 n THR 174 Ca 0.02 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 2bk3 n THR 174 Cb 0.50 -1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 67.38 2bk3 n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk3 s ALA 175 N -3.49 -0.21 0.55 6.98 0.00 -1.24 -1.72 121.76 122.63 2bk3 s ALA 175 Ca 0.60 -0.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 2bk3 s ALA 175 Cb -0.34 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2bk3 s ALA 175 CO 0.97 -0.45 1.04 -1.21 0.00 0.00 0.00 175.76 176.11 2bk3 s GLU 176 N -3.48 3.53 0.40 0.00 0.41 -1.26 -3.81 118.70 114.49 2bk3 s GLU 176 Ca 0.02 1.22 0.07 0.00 -0.41 0.00 0.00 54.97 55.86 2bk3 s GLU 176 Cb 0.03 -2.06 0.83 0.00 -1.78 0.00 0.00 34.13 31.15 2bk3 s GLU 176 CO -0.09 -0.64 2.05 1.79 -0.49 0.00 0.00 175.26 177.88 2bk3 h THR 177 N 0.80 1.11 0.00 3.63 1.35 -1.94 -1.82 112.91 116.04 2bk3 h THR 177 Ca -0.48 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2bk3 h THR 177 Cb 1.22 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2bk3 h THR 177 CO 0.58 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 2bk3 n HIS 178 N -4.46 0.00 0.07 4.73 1.44 -1.26 -1.55 115.22 114.18 2bk3 n HIS 178 Ca 0.03 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.72 2bk3 n HIS 178 Cb 0.07 -0.49 -0.06 0.00 0.12 0.00 0.00 29.99 29.62 2bk3 n HIS 178 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2bk3 h GLU 179 N 0.00 0.00 -6.45 -1.40 5.08 -1.70 -3.47 114.58 106.64 2bk3 h GLU 179 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2bk3 h GLU 179 Cb 0.44 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.49 2bk3 h GLU 179 CO 0.00 0.55 -0.76 0.14 -1.00 0.00 0.00 179.01 177.94 2bk3 s VAL 180 N -2.84 3.17 0.26 3.13 -7.23 -1.23 -4.14 120.40 111.53 2bk3 s VAL 180 Ca -0.00 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.87 2bk3 s VAL 180 Cb 0.08 -2.36 -0.11 0.00 0.56 0.00 0.00 36.38 34.56 2bk3 s VAL 180 CO 0.79 0.36 1.51 -0.55 -0.31 0.00 0.00 175.10 176.91 2bk3 s SER 181 N -1.42 6.53 0.20 4.85 0.15 0.18 -1.44 113.70 122.75 2bk3 s SER 181 Ca 0.16 2.78 -0.11 0.00 0.70 0.00 0.00 55.95 59.47 2bk3 s SER 181 Cb -0.11 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.74 2bk3 s SER 181 CO 0.06 -0.80 1.83 0.00 1.20 0.00 0.00 173.24 175.53 2bk3 h ALA 182 N 5.11 0.81 -0.19 5.45 0.00 -1.03 -1.78 119.26 127.62 2bk3 h ALA 182 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2bk3 h ALA 182 Cb 1.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2bk3 h ALA 182 CO 0.80 0.10 0.12 1.25 0.00 0.00 0.00 179.25 181.52 2bk3 h LEU 183 N 0.73 0.22 -0.62 0.00 5.85 -1.62 -1.00 115.31 118.86 2bk3 h LEU 183 Ca 0.26 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2bk3 h LEU 183 Cb 0.05 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2bk3 h LEU 183 CO -0.12 0.16 0.41 -0.25 -0.34 0.00 0.00 178.44 178.30 2bk3 h TRP 184 N 0.25 0.78 -0.55 1.25 7.01 -1.85 -0.31 115.95 122.53 2bk3 h TRP 184 Ca 0.07 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.00 2bk3 h TRP 184 Cb -0.02 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 2bk3 h TRP 184 CO -0.06 0.49 -0.01 0.35 -2.79 0.00 0.00 178.44 176.42 2bk3 h PHE 185 N 0.84 1.07 -0.49 2.65 3.57 -1.12 0.72 116.94 124.18 2bk3 h PHE 185 Ca 0.23 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2bk3 h PHE 185 Cb -0.09 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 2bk3 h PHE 185 CO -0.03 0.97 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.88 2bk3 h LEU 186 N 0.86 0.87 -0.09 0.59 3.38 -0.99 -1.85 115.31 118.07 2bk3 h LEU 186 Ca 0.16 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2bk3 h LEU 186 Cb 0.55 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2bk3 h LEU 186 CO 0.03 0.97 0.02 -0.25 0.09 0.00 0.00 178.44 179.30 2bk3 h TRP 187 N 0.80 0.04 -0.61 1.13 7.01 -0.80 -2.03 115.95 121.49 2bk3 h TRP 187 Ca 0.14 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.22 2bk3 h TRP 187 Cb 0.58 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.57 2bk3 h TRP 187 CO 0.03 0.02 0.29 -0.92 -2.79 0.00 0.00 178.44 175.07 2bk3 h TYR 188 N 0.07 0.52 -0.16 2.65 3.20 -0.37 0.73 116.97 123.61 2bk3 h TYR 188 Ca 0.04 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 2bk3 h TYR 188 Cb 0.03 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 2bk3 h TYR 188 CO -0.10 0.20 -0.12 0.28 -1.64 0.00 0.00 178.16 176.78 2bk3 h VAL 189 N 0.52 1.33 -0.74 1.81 2.07 -1.33 -3.13 116.25 116.79 2bk3 h VAL 189 Ca 0.29 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2bk3 h VAL 189 Cb 0.27 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2bk3 h VAL 189 CO -0.24 0.37 0.46 0.50 0.02 0.00 0.00 177.57 178.68 2bk3 h LYS 190 N 0.01 0.85 0.00 1.57 3.11 -0.76 -1.34 116.57 120.01 2bk3 h LYS 190 Ca 0.03 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2bk3 h LYS 190 Cb 0.63 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 2bk3 h LYS 190 CO 0.03 0.56 0.00 0.00 -2.81 0.00 0.00 179.45 177.23 2bk3 n GLN 191 N -4.67 0.21 -0.08 1.90 -0.00 0.20 -1.31 117.38 113.63 2bk3 n GLN 191 Ca 0.09 0.11 0.12 0.00 -0.00 0.00 0.00 57.00 57.31 2bk3 n GLN 191 Cb 0.12 -1.50 0.30 0.00 -0.00 0.00 0.00 30.24 29.16 2bk3 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bk3 n GLY 193 N 1.29 0.90 0.00 0.00 0.00 -0.43 -4.54 105.19 102.42 2bk3 n GLY 193 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bk3 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 194 N -2.10 0.44 0.13 -0.02 0.00 -0.56 -4.54 105.19 98.54 2bk3 n GLY 194 Ca 0.00 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 2bk3 n GLY 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bk3 h THR 195 N 0.00 1.25 -0.17 2.61 1.35 -1.92 -1.49 112.91 114.54 2bk3 h THR 195 Ca 0.00 -0.84 0.01 0.00 -0.55 0.00 0.00 66.41 65.03 2bk3 h THR 195 Cb 0.00 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2bk3 h THR 195 CO 0.00 0.25 0.10 0.74 -0.25 0.00 0.00 175.52 176.36 2bk3 h THR 196 N 0.09 1.02 -0.68 6.82 2.02 -1.97 -2.16 112.91 118.04 2bk3 h THR 196 Ca 0.05 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2bk3 h THR 196 Cb 0.38 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2bk3 h THR 196 CO 0.01 0.04 0.28 -0.09 0.37 0.00 0.00 175.52 176.12 2bk3 h ARG 197 N 0.21 1.01 -0.03 6.66 9.65 -1.77 -2.37 114.38 127.73 2bk3 h ARG 197 Ca 0.07 -0.18 -0.12 0.00 -1.10 0.00 0.00 59.98 58.65 2bk3 h ARG 197 Cb -0.00 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 2bk3 h ARG 197 CO -0.03 0.84 -0.55 0.97 2.80 0.00 0.00 179.97 184.00 2bk3 h ILE 198 N 0.96 1.38 0.00 1.20 2.10 -1.12 -1.97 117.51 120.07 2bk3 h ILE 198 Ca 0.23 -1.86 0.00 0.00 1.08 0.00 0.00 64.86 64.30 2bk3 h ILE 198 Cb 0.20 1.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 2bk3 h ILE 198 CO -0.02 0.54 -1.04 2.30 -1.08 0.00 0.00 178.15 178.85 2bk3 n ILE 199 N -3.90 0.10 -3.08 2.19 -5.35 -0.83 -4.53 119.36 103.96 2bk3 n ILE 199 Ca -0.02 -0.18 -0.36 0.00 -0.27 0.00 0.00 62.75 61.92 2bk3 n ILE 199 Cb 0.56 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.78 2bk3 n ILE 199 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2bk3 s SER 200 N -3.66 7.09 0.00 7.28 0.01 -0.90 -4.94 113.70 118.58 2bk3 s SER 200 Ca 0.04 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2bk3 s SER 200 Cb 0.15 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2bk3 s SER 200 CO 0.81 0.04 0.00 0.41 0.41 0.00 0.00 173.24 174.92 2bk3 n THR 201 N 0.79 0.00 -1.68 1.44 -1.04 -1.26 -2.22 114.28 110.31 2bk3 n THR 201 Ca -0.02 0.09 -0.47 0.00 -2.04 0.00 0.00 64.05 61.61 2bk3 n THR 201 Cb 0.51 -0.59 -0.04 0.00 -1.82 0.00 0.00 70.33 68.39 2bk3 n THR 201 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2bk3 n THR 202 N -1.12 0.32 -1.54 12.58 -1.04 -1.26 -1.58 114.28 120.63 2bk3 n THR 202 Ca 0.00 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.81 2bk3 n THR 202 Cb 0.00 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 66.70 2bk3 n THR 202 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2bk3 n ASN 203 N 5.18 -4.74 -0.49 8.00 5.15 -1.26 -4.98 115.26 122.13 2bk3 n ASN 203 Ca 0.20 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 2bk3 n ASN 203 Cb 0.30 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 35.97 2bk3 n ASN 203 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bk3 n GLY 204 N -1.15 4.50 0.29 8.20 0.00 -0.61 -4.82 105.19 111.60 2bk3 n GLY 204 Ca -0.15 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.49 2bk3 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bk3 h GLY 205 N 0.00 0.00 -3.17 -0.02 0.00 -0.91 -2.73 103.07 96.25 2bk3 h GLY 205 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2bk3 h GLY 205 CO 0.00 0.00 0.04 -1.06 0.00 0.00 0.00 176.54 175.52 2bk3 n GLN 206 N -4.17 4.29 -0.29 4.80 3.00 -0.94 -3.56 117.38 120.51 2bk3 n GLN 206 Ca -0.02 -3.10 -0.05 0.00 -0.01 0.00 0.00 57.00 53.82 2bk3 n GLN 206 Cb 0.12 -2.17 0.07 0.00 0.00 0.00 0.00 30.24 28.26 2bk3 n GLN 206 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2bk3 h GLU 207 N 3.31 1.09 -4.59 -1.09 4.81 -1.14 -3.43 114.58 113.54 2bk3 h GLU 207 Ca 0.05 -0.11 -0.22 0.00 -0.13 0.00 0.00 59.36 58.94 2bk3 h GLU 207 Cb 1.94 -0.22 -0.15 0.00 0.63 0.00 0.00 28.75 30.95 2bk3 h GLU 207 CO 0.48 0.79 -0.67 1.03 -0.73 0.00 0.00 179.01 179.91 2bk3 s ARG 208 N -5.90 0.90 0.20 1.92 0.52 0.26 -0.53 118.95 116.32 2bk3 s ARG 208 Ca -0.13 -1.40 0.04 0.00 -0.52 0.00 0.00 55.73 53.73 2bk3 s ARG 208 Cb 0.15 -0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.50 2bk3 s ARG 208 CO 0.80 -0.11 -0.06 0.15 0.02 0.00 0.00 175.30 176.10 2bk3 s LYS 209 N -3.91 1.23 -0.02 3.54 1.02 -0.68 -1.15 119.74 119.76 2bk3 s LYS 209 Ca 0.17 -1.58 -0.27 0.00 0.02 0.00 0.00 55.97 54.32 2bk3 s LYS 209 Cb 0.06 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.65 2bk3 s LYS 209 CO -0.02 0.01 0.83 -0.06 -0.92 0.00 0.00 175.35 175.19 2bk3 s PHE 210 N -3.32 3.63 -0.06 3.18 0.40 -1.26 -1.16 117.98 119.39 2bk3 s PHE 210 Ca 0.23 1.48 -0.34 0.00 -0.60 0.00 0.00 56.93 57.70 2bk3 s PHE 210 Cb 0.04 -2.95 -0.11 0.00 0.51 0.00 0.00 43.02 40.51 2bk3 s PHE 210 CO 0.05 0.06 1.88 0.28 0.70 0.00 0.00 175.22 178.20 2bk3 n VAL 211 N 3.72 0.58 -0.32 -0.44 0.31 -0.22 -1.74 118.33 120.23 2bk3 n VAL 211 Ca 0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2bk3 n VAL 211 Cb 0.51 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 2bk3 n VAL 211 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bk3 n GLY 212 N 4.39 1.09 0.00 2.92 0.00 -1.26 -4.68 105.19 107.64 2bk3 n GLY 212 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2bk3 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 213 N -2.00 2.32 0.22 -0.02 0.00 -0.71 -4.77 105.19 100.22 2bk3 n GLY 213 Ca 0.00 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.43 2bk3 n GLY 213 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bk3 h SER 214 N 0.00 0.00 -0.03 1.61 4.64 -1.83 -3.08 113.55 114.86 2bk3 h SER 214 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2bk3 h SER 214 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bk3 h SER 214 CO 0.00 0.00 0.06 1.23 -0.87 0.00 0.00 176.83 177.25 2bk3 h GLY 215 N 3.42 0.00 2.00 -0.77 0.00 -1.88 -1.85 103.07 103.99 2bk3 h GLY 215 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2bk3 h GLY 215 CO 0.00 0.00 -0.07 1.46 0.00 0.00 0.00 176.54 177.93 2bk3 h GLN 216 N 0.00 0.00 0.34 4.80 4.20 -1.84 -2.07 115.11 120.54 2bk3 h GLN 216 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2bk3 h GLN 216 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2bk3 h GLN 216 CO -0.00 0.07 -0.16 0.28 -0.67 0.00 0.00 178.83 178.35 2bk3 h VAL 217 N 0.00 0.68 -0.43 -0.54 2.07 -1.58 -0.86 116.25 115.59 2bk3 h VAL 217 Ca -0.00 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 2bk3 h VAL 217 Cb 0.20 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2bk3 h VAL 217 CO 0.01 0.03 -0.23 0.28 0.02 0.00 0.00 177.57 177.68 2bk3 h SER 218 N -0.53 0.95 -0.71 0.57 0.02 -1.70 -2.87 113.55 109.28 2bk3 h SER 218 Ca -0.05 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 2bk3 h SER 218 Cb 0.40 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2bk3 h SER 218 CO 0.08 1.15 0.41 -0.33 -1.14 0.00 0.00 176.83 177.00 2bk3 h GLU 219 N 0.75 0.96 -0.02 3.45 5.08 -1.37 -1.27 114.58 122.17 2bk3 h GLU 219 Ca 0.09 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2bk3 h GLU 219 Cb 0.81 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2bk3 h GLU 219 CO 0.07 0.70 -0.70 0.00 -1.00 0.00 0.00 179.01 178.07 2bk3 h ARG 220 N 0.96 0.12 -0.50 2.33 3.08 -1.17 -0.34 114.38 118.86 2bk3 h ARG 220 Ca 0.25 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 2bk3 h ARG 220 Cb -0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2bk3 h ARG 220 CO -0.05 0.77 -0.18 0.82 -1.07 0.00 0.00 179.97 180.26 2bk3 h ILE 221 N 0.08 1.27 -0.82 2.04 2.04 -1.41 -2.22 117.51 118.49 2bk3 h ILE 221 Ca -0.01 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.55 2bk3 h ILE 221 Cb 1.24 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 2bk3 h ILE 221 CO 0.10 0.47 0.51 -0.03 0.00 0.00 0.00 178.15 179.19 2bk3 h MET 222 N 0.86 0.92 -0.69 2.37 4.05 -0.82 -0.85 114.93 120.76 2bk3 h MET 222 Ca 0.12 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.54 2bk3 h MET 222 Cb 0.76 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.30 2bk3 h MET 222 CO 0.06 0.61 0.39 -0.44 0.23 0.00 0.00 176.91 177.76 2bk3 h ASP 223 N 0.94 0.59 -0.45 1.39 3.32 -0.86 -1.00 116.42 120.35 2bk3 h ASP 223 Ca 0.35 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 2bk3 h ASP 223 Cb 0.13 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2bk3 h ASP 223 CO -0.16 0.38 0.15 -0.07 -1.72 0.00 0.00 179.24 177.83 2bk3 h LEU 224 N 0.73 0.64 -0.33 1.55 3.38 -0.76 -3.20 115.31 117.32 2bk3 h LEU 224 Ca 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2bk3 h LEU 224 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2bk3 h LEU 224 CO -0.18 0.66 0.00 -0.07 0.09 0.00 0.00 178.44 178.94 2bk3 h LEU 225 N 0.59 0.00 0.00 1.67 3.38 -0.68 -3.49 115.31 116.78 2bk3 h LEU 225 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bk3 h LEU 225 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2bk3 h LEU 225 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 2bk3 n GLY 226 N 0.86 3.10 0.00 0.83 0.00 -0.42 -2.50 105.19 107.06 2bk3 n GLY 226 Ca 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.83 2bk3 n GLY 226 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bk3 n ASP 227 N 3.18 0.00 0.28 1.61 5.68 -1.26 -2.69 116.55 123.34 2bk3 n ASP 227 Ca 0.00 -0.64 0.17 0.00 -0.50 0.00 0.00 54.79 53.82 2bk3 n ASP 227 Cb 0.00 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 40.65 2bk3 n ASP 227 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2bk3 h ARG 228 N 0.00 0.00 -5.43 0.11 3.08 -1.80 -3.41 114.38 106.92 2bk3 h ARG 228 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2bk3 h ARG 228 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 2bk3 h ARG 228 CO 0.00 0.00 0.04 0.08 -1.07 0.00 0.00 179.97 179.02 2bk3 s VAL 229 N -3.65 5.04 -0.33 2.04 1.01 -1.10 -1.01 120.40 122.40 2bk3 s VAL 229 Ca 0.01 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 2bk3 s VAL 229 Cb 0.09 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2bk3 s VAL 229 CO 0.55 0.08 0.12 -0.54 0.00 0.00 0.00 175.10 175.31 2bk3 s LYS 230 N 2.28 2.81 0.30 2.72 -0.14 0.38 -4.97 119.74 123.12 2bk3 s LYS 230 Ca 0.23 -1.06 -0.11 0.00 -1.36 0.00 0.00 55.97 53.67 2bk3 s LYS 230 Cb -0.16 -3.50 -0.07 0.00 -1.68 0.00 0.00 37.83 32.42 2bk3 s LYS 230 CO 0.09 -0.61 0.65 -0.51 -0.76 0.00 0.00 175.35 174.21 2bk3 s LEU 231 N 1.47 4.06 -1.38 3.17 1.43 -1.26 -1.20 118.68 124.97 2bk3 s LEU 231 Ca 0.00 1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 2bk3 s LEU 231 Cb -0.19 -3.85 0.02 0.00 0.03 0.00 0.00 46.19 42.21 2bk3 s LEU 231 CO 0.04 -0.19 1.10 -0.62 0.23 0.00 0.00 176.35 176.91 2bk3 n GLU 232 N -0.53 -7.19 -3.46 1.70 1.02 0.01 -4.93 120.64 107.26 2bk3 n GLU 232 Ca 0.02 0.77 -0.27 0.00 -0.02 0.00 0.00 57.16 57.66 2bk3 n GLU 232 Cb 0.53 -5.77 -0.08 0.00 -0.02 0.00 0.00 31.44 26.10 2bk3 n GLU 232 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bk3 n ARG 233 N -4.82 2.31 -1.95 3.49 3.00 0.94 -4.83 116.66 114.81 2bk3 n ARG 233 Ca -0.03 -4.55 -0.42 0.00 -0.01 0.00 0.00 57.85 52.84 2bk3 n ARG 233 Cb 0.57 -2.19 -0.03 0.00 0.00 0.00 0.00 32.46 30.81 2bk3 n ARG 233 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2bk3 s PRO 234 N -2.26 4.22 0.05 5.56 0.02 -1.26 -3.93 135.00 137.40 2bk3 s PRO 234 Ca 0.38 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 2bk3 s PRO 234 Cb 0.13 -3.36 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 2bk3 s PRO 234 CO -0.04 -0.65 1.09 0.08 -0.33 0.00 0.00 177.00 177.15 2bk3 s VAL 235 N 1.82 4.36 -0.02 3.83 1.01 -1.26 -0.32 120.40 129.82 2bk3 s VAL 235 Ca 0.71 1.74 0.03 0.00 0.00 0.00 0.00 61.98 64.47 2bk3 s VAL 235 Cb -0.41 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 2bk3 s VAL 235 CO 0.31 0.16 0.08 2.30 0.00 0.00 0.00 175.10 177.95 2bk3 n ILE 236 N 3.69 0.00 -3.67 2.22 -5.35 -0.47 -4.56 119.36 111.22 2bk3 n ILE 236 Ca 0.07 -0.11 -0.09 0.00 -0.27 0.00 0.00 62.75 62.35 2bk3 n ILE 236 Cb 0.48 0.48 -0.09 0.00 -1.74 0.00 0.00 39.64 38.77 2bk3 n ILE 236 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2bk3 s TYR 237 N -2.14 -0.82 -0.11 4.28 5.04 -1.14 -0.58 117.35 121.89 2bk3 s TYR 237 Ca -0.01 1.70 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 2bk3 s TYR 237 Cb 0.02 0.43 0.02 0.00 0.35 0.00 0.00 41.96 42.78 2bk3 s TYR 237 CO 0.14 -0.42 -0.11 0.42 -1.34 0.00 0.00 175.55 174.23 2bk3 s ILE 238 N 1.40 1.21 -0.21 3.14 1.01 -0.85 -0.93 121.20 125.97 2bk3 s ILE 238 Ca -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2bk3 s ILE 238 Cb -0.06 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.26 2bk3 s ILE 238 CO -0.15 0.39 -0.11 -0.62 0.00 0.00 0.00 174.94 174.45 2bk3 s ASP 239 N 1.29 3.85 -0.14 3.58 -1.08 0.47 -1.43 116.67 123.21 2bk3 s ASP 239 Ca -0.02 -0.69 0.16 0.00 -0.52 0.00 0.00 52.55 51.48 2bk3 s ASP 239 Cb -0.14 -1.60 0.42 0.00 -1.46 0.00 0.00 42.92 40.13 2bk3 s ASP 239 CO -0.04 -0.05 1.31 0.00 0.52 0.00 0.00 175.17 176.90 2bk3 n GLN 240 N 4.67 2.50 0.16 4.34 6.02 0.14 -1.21 117.38 134.01 2bk3 n GLN 240 Ca -0.19 -2.62 0.04 0.00 -0.01 0.00 0.00 57.00 54.23 2bk3 n GLN 240 Cb 0.49 -1.65 0.18 0.00 1.02 0.00 0.00 30.24 30.28 2bk3 n GLN 240 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2bk3 h THR 241 N 1.27 0.84 -0.50 5.09 1.35 -1.90 -3.46 112.91 115.60 2bk3 h THR 241 Ca 0.00 -1.87 -0.57 0.00 -0.55 0.00 0.00 66.41 63.42 2bk3 h THR 241 Cb 1.20 2.19 -0.03 0.00 -1.73 0.00 0.00 68.15 69.78 2bk3 h THR 241 CO 0.13 0.43 -0.23 -0.13 -0.25 0.00 0.00 175.52 175.46 2bk3 s ARG 242 N -3.25 2.24 0.18 4.72 0.52 -1.26 -5.04 118.95 117.05 2bk3 s ARG 242 Ca 0.02 -1.97 -0.17 0.00 -0.52 0.00 0.00 55.73 53.09 2bk3 s ARG 242 Cb 0.09 -2.22 0.14 0.00 0.52 0.00 0.00 34.95 33.48 2bk3 s ARG 242 CO 0.71 -0.74 1.64 1.49 0.02 0.00 0.00 175.30 178.42 2bk3 h GLU 243 N 0.55 -0.05 -6.07 3.54 4.81 -1.98 -3.40 114.58 111.97 2bk3 h GLU 243 Ca -0.34 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.23 2bk3 h GLU 243 Cb 1.30 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.58 2bk3 h GLU 243 CO 0.52 -0.03 -0.60 -0.80 -0.73 0.00 0.00 179.01 177.37 2bk3 s ASN 244 N -5.19 5.46 0.15 1.04 0.01 -1.26 -4.99 114.94 110.16 2bk3 s ASN 244 Ca -0.14 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.78 2bk3 s ASN 244 Cb 0.16 -1.51 -0.08 0.00 0.41 0.00 0.00 41.25 40.24 2bk3 s ASN 244 CO 0.71 0.27 1.23 -0.69 -1.51 0.00 0.00 177.10 177.11 2bk3 s VAL 245 N -1.17 3.59 -0.19 1.60 1.01 0.71 -4.84 120.40 121.11 2bk3 s VAL 245 Ca 0.22 1.27 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 2bk3 s VAL 245 Cb -0.12 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2bk3 s VAL 245 CO 0.13 0.17 0.01 -0.76 0.00 0.00 0.00 175.10 174.65 2bk3 s LEU 246 N 0.18 3.43 -0.14 3.92 1.43 -0.35 -1.19 118.68 125.95 2bk3 s LEU 246 Ca 0.56 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2bk3 s LEU 246 Cb -0.33 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.05 2bk3 s LEU 246 CO 0.35 0.11 -0.18 -0.69 0.23 0.00 0.00 176.35 176.17 2bk3 s VAL 247 N 0.72 1.81 -0.04 -1.59 1.01 0.57 -0.39 120.40 122.49 2bk3 s VAL 247 Ca 0.01 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2bk3 s VAL 247 Cb -0.14 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2bk3 s VAL 247 CO 0.02 0.50 -0.13 -0.70 0.00 0.00 0.00 175.10 174.79 2bk3 s GLU 248 N 1.14 2.51 0.38 2.72 2.12 -0.11 -0.26 118.70 127.20 2bk3 s GLU 248 Ca -0.01 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.70 2bk3 s GLU 248 Cb -0.14 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2bk3 s GLU 248 CO -0.07 0.62 0.41 0.95 -0.54 0.00 0.00 175.26 176.63 2bk3 s THR 249 N -0.79 3.22 0.34 -1.70 -4.23 -0.72 -1.37 115.64 110.40 2bk3 s THR 249 Ca 0.12 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 2bk3 s THR 249 Cb -0.11 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 70.90 2bk3 s THR 249 CO 0.02 -0.08 1.95 0.25 -0.54 0.00 0.00 174.62 176.22 2bk3 h LEU 250 N 0.99 0.74 -0.34 4.79 5.85 -0.99 0.53 115.31 126.87 2bk3 h LEU 250 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2bk3 h LEU 250 Cb 1.26 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2bk3 h LEU 250 CO 0.54 0.48 0.00 -0.46 -0.34 0.00 0.00 178.44 178.66 2bk3 n ASN 251 N -4.48 0.31 0.00 1.25 2.04 -1.26 -4.88 115.26 108.23 2bk3 n ASN 251 Ca 0.11 -1.81 0.00 0.00 -0.44 0.00 0.00 54.58 52.44 2bk3 n ASN 251 Cb 0.21 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.31 2bk3 n ASN 251 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 2bk3 n HIS 252 N -0.31 0.00 -1.73 -2.53 8.25 0.18 -5.02 115.22 114.06 2bk3 n HIS 252 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2bk3 n HIS 252 Cb 0.08 -0.25 0.05 0.00 1.12 0.00 0.00 29.99 30.98 2bk3 n HIS 252 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2bk3 n GLU 253 N -2.00 1.53 -5.01 -0.41 1.02 -1.26 -4.76 120.64 109.75 2bk3 n GLU 253 Ca 0.00 0.57 -0.29 0.00 -0.02 0.00 0.00 57.16 57.42 2bk3 n GLU 253 Cb 0.00 -2.52 -0.17 0.00 -0.02 0.00 0.00 31.44 28.74 2bk3 n GLU 253 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2bk3 s MET 254 N -2.92 2.37 -0.04 3.49 -1.94 -1.26 -1.76 119.30 117.23 2bk3 s MET 254 Ca 0.73 -0.73 0.05 0.00 -1.71 0.00 0.00 55.69 54.03 2bk3 s MET 254 Cb -0.42 -1.91 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 2bk3 s MET 254 CO 0.48 0.21 -0.19 0.71 -0.01 0.00 0.00 175.02 176.22 2bk3 s TYR 255 N 0.22 1.83 -0.11 -0.03 1.51 0.64 -4.21 117.35 117.20 2bk3 s TYR 255 Ca -0.11 -0.52 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 2bk3 s TYR 255 Cb -0.15 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2bk3 s TYR 255 CO 0.05 -0.17 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.14 2bk3 s GLU 256 N -0.03 3.14 0.15 -0.62 2.12 0.16 -0.31 118.70 123.31 2bk3 s GLU 256 Ca -0.03 -0.78 -0.08 0.00 0.36 0.00 0.00 54.97 54.44 2bk3 s GLU 256 Cb -0.12 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 2bk3 s GLU 256 CO 0.02 0.24 0.24 0.00 -0.54 0.00 0.00 175.26 175.21 2bk3 s ALA 257 N 0.25 0.09 0.08 6.30 0.00 -0.33 -1.19 121.76 126.95 2bk3 s ALA 257 Ca -0.12 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2bk3 s ALA 257 Cb -0.16 0.80 -0.24 0.00 0.00 0.00 0.00 23.12 23.51 2bk3 s ALA 257 CO 0.07 -0.60 1.16 0.87 0.00 0.00 0.00 175.76 177.25 2bk3 h LYS 258 N 2.62 0.47 -4.13 0.00 1.57 -1.42 0.20 116.57 115.89 2bk3 h LYS 258 Ca -0.33 -0.64 -0.12 0.00 -1.87 0.00 0.00 60.65 57.69 2bk3 h LYS 258 Cb 1.22 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.60 2bk3 h LYS 258 CO 0.51 1.27 -0.56 0.71 -0.57 0.00 0.00 179.45 180.81 2bk3 s TYR 259 N -2.94 0.47 0.01 -1.35 1.51 -1.10 -4.66 117.35 109.28 2bk3 s TYR 259 Ca -0.07 -0.94 0.05 0.00 -1.01 0.00 0.00 57.07 55.09 2bk3 s TYR 259 Cb 0.07 -0.29 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 2bk3 s TYR 259 CO 0.90 -0.47 -0.14 0.08 -1.11 0.00 0.00 175.55 174.81 2bk3 s VAL 260 N -3.93 1.12 -0.20 0.71 1.01 -0.48 -2.03 120.40 116.60 2bk3 s VAL 260 Ca 0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2bk3 s VAL 260 Cb 0.07 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2bk3 s VAL 260 CO -0.08 0.22 -0.04 -0.63 0.00 0.00 0.00 175.10 174.57 2bk3 s ILE 261 N -0.49 3.50 -0.44 2.22 1.01 -0.21 -0.54 121.20 126.25 2bk3 s ILE 261 Ca 0.04 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 2bk3 s ILE 261 Cb -0.06 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.86 2bk3 s ILE 261 CO 0.00 0.44 0.69 -0.55 0.00 0.00 0.00 174.94 175.52 2bk3 s SER 262 N 1.22 6.36 -0.41 3.58 0.15 -0.07 -0.35 113.70 124.18 2bk3 s SER 262 Ca 0.03 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.50 2bk3 s SER 262 Cb -0.14 -2.34 0.45 0.00 -1.71 0.00 0.00 66.02 62.27 2bk3 s SER 262 CO -0.01 -0.81 1.40 0.00 1.20 0.00 0.00 173.24 175.02 2bk3 n ALA 263 N 6.40 5.37 -2.49 5.45 0.00 0.31 -0.89 120.51 134.67 2bk3 n ALA 263 Ca -0.00 -3.78 -0.25 0.00 0.00 0.00 0.00 53.44 49.41 2bk3 n ALA 263 Cb 0.48 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 2bk3 n ALA 263 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bk3 s ILE 264 N -4.75 2.61 0.22 0.00 -4.36 -1.25 -4.55 121.20 109.12 2bk3 s ILE 264 Ca 0.54 -2.21 -0.30 0.00 -0.26 0.00 0.00 60.65 58.42 2bk3 s ILE 264 Cb 0.43 -2.34 -0.15 0.00 1.25 0.00 0.00 42.46 41.65 2bk3 s ILE 264 CO -0.01 -0.31 0.95 -2.65 0.24 0.00 0.00 174.94 173.16 2bk3 n PRO 265 N -0.40 0.93 -0.22 0.37 -0.02 -1.26 -4.81 135.00 129.59 2bk3 n PRO 265 Ca -0.07 0.33 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 2bk3 n PRO 265 Cb 0.59 -1.66 0.11 0.00 -0.02 0.00 0.00 33.50 32.51 2bk3 n PRO 265 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2bk3 h PRO 266 N 2.22 0.08 0.00 0.52 0.11 -1.94 -1.25 132.00 131.75 2bk3 h PRO 266 Ca -0.38 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 2bk3 h PRO 266 Cb 1.37 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 2bk3 h PRO 266 CO 0.63 0.05 -0.17 0.00 -0.21 0.00 0.00 178.00 178.30 2bk3 h THR 267 N 0.08 0.74 0.00 -1.15 1.03 -1.76 -2.10 112.91 109.76 2bk3 h THR 267 Ca 0.34 -0.69 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 2bk3 h THR 267 Cb 0.56 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.06 2bk3 h THR 267 CO -0.59 0.17 0.00 0.18 -0.01 0.00 0.00 175.52 175.27 2bk3 n LEU 268 N -3.78 0.26 0.20 0.00 4.77 -0.47 -1.33 117.00 116.64 2bk3 n LEU 268 Ca -0.02 0.57 0.18 0.00 -0.03 0.00 0.00 56.01 56.71 2bk3 n LEU 268 Cb 0.28 -0.53 0.83 0.00 -2.33 0.00 0.00 43.42 41.66 2bk3 n LEU 268 CO 0.32 -0.39 1.16 1.23 -1.33 0.00 0.00 177.39 178.38 2bk3 h GLY 269 N 2.29 0.00 2.00 -0.72 0.00 -1.40 -2.00 103.07 103.23 2bk3 h GLY 269 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2bk3 h GLY 269 CO 0.00 0.00 -0.02 -0.33 0.00 0.00 0.00 176.54 176.19 2bk3 h MET 270 N 0.00 0.00 0.00 4.80 2.86 -1.41 -2.30 114.93 118.87 2bk3 h MET 270 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2bk3 h MET 270 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2bk3 h MET 270 CO -0.00 0.02 0.00 1.63 1.06 0.00 0.00 176.91 179.62 2bk3 n LYS 271 N -3.92 0.35 -4.58 1.72 5.02 -0.75 -4.70 118.16 111.29 2bk3 n LYS 271 Ca -0.03 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 2bk3 n LYS 271 Cb 0.11 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.49 2bk3 n LYS 271 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bk3 s ILE 272 N -2.45 3.54 -0.13 -0.18 1.01 -0.87 -4.59 121.20 117.53 2bk3 s ILE 272 Ca 0.21 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 2bk3 s ILE 272 Cb 0.13 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2bk3 s ILE 272 CO 0.28 0.52 0.55 -1.00 0.00 0.00 0.00 174.94 175.29 2bk3 s HIS 273 N 0.14 3.48 -0.09 3.97 3.76 0.26 -4.94 115.29 121.88 2bk3 s HIS 273 Ca -0.04 0.94 -0.02 0.00 -0.15 0.00 0.00 55.06 55.80 2bk3 s HIS 273 Cb -0.14 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 2bk3 s HIS 273 CO 0.04 0.06 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.91 2bk3 s PHE 274 N 1.01 3.11 -0.12 1.40 0.40 -1.26 -2.00 117.98 120.52 2bk3 s PHE 274 Ca 0.28 0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.71 2bk3 s PHE 274 Cb -0.16 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.62 2bk3 s PHE 274 CO 0.12 0.40 0.03 1.21 0.70 0.00 0.00 175.22 177.67 2bk3 s ASN 275 N -0.75 2.06 1.00 1.36 2.47 -0.52 -3.50 114.94 117.06 2bk3 s ASN 275 Ca 0.12 -0.37 -0.12 0.00 0.42 0.00 0.00 52.86 52.91 2bk3 s ASN 275 Cb -0.11 -0.45 0.19 0.00 -1.45 0.00 0.00 41.25 39.43 2bk3 s ASN 275 CO 0.02 -0.25 1.10 -2.16 -3.72 0.00 0.00 177.10 172.09 2bk3 s PRO 276 N 1.97 0.42 0.64 0.43 0.04 -1.26 0.28 135.00 137.52 2bk3 s PRO 276 Ca 0.03 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.35 2bk3 s PRO 276 Cb -0.14 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2bk3 s PRO 276 CO -0.06 -2.72 0.86 -2.30 0.04 0.00 0.00 177.00 172.81 2bk3 n PRO 277 N -4.16 0.69 -1.39 0.56 -0.02 -1.23 -4.94 135.00 124.51 2bk3 n PRO 277 Ca 0.05 0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 2bk3 n PRO 277 Cb 0.58 -2.08 0.10 0.00 -0.02 0.00 0.00 33.50 32.07 2bk3 n PRO 277 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2bk3 n LEU 278 N -0.76 4.81 -4.70 2.45 4.77 -1.26 -4.98 117.00 117.34 2bk3 n LEU 278 Ca 0.13 0.69 -0.35 0.00 -0.03 0.00 0.00 56.01 56.45 2bk3 n LEU 278 Cb 0.48 -1.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.17 2bk3 n LEU 278 CO 0.49 -1.52 0.79 -2.65 -1.33 0.00 0.00 177.39 173.18 2bk3 n PRO 279 N -2.45 0.61 -0.23 3.23 -0.02 -1.26 -4.67 135.00 130.21 2bk3 n PRO 279 Ca 0.14 0.28 0.03 0.00 -2.02 0.00 0.00 63.50 61.93 2bk3 n PRO 279 Cb 0.49 -2.45 0.15 0.00 -0.02 0.00 0.00 33.50 31.67 2bk3 n PRO 279 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2bk3 h MET 280 N -0.22 0.33 -0.24 -0.52 1.85 -1.99 -1.34 114.93 112.80 2bk3 h MET 280 Ca -0.48 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.57 2bk3 h MET 280 Cb 1.32 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.27 2bk3 h MET 280 CO 0.49 0.22 0.10 0.52 -0.40 0.00 0.00 176.91 177.84 2bk3 h MET 281 N 0.34 0.35 -0.56 0.39 2.86 -2.00 -2.15 114.93 114.16 2bk3 h MET 281 Ca 0.36 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 2bk3 h MET 281 Cb 0.55 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2bk3 h MET 281 CO -0.41 0.39 0.06 -0.09 1.06 0.00 0.00 176.91 177.92 2bk3 h ARG 282 N 0.24 0.95 -0.73 1.72 2.43 -1.88 0.00 114.38 117.11 2bk3 h ARG 282 Ca 0.08 -0.27 0.16 0.00 -0.81 0.00 0.00 59.98 59.14 2bk3 h ARG 282 Cb 0.16 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 29.49 2bk3 h ARG 282 CO -0.01 0.93 0.14 -0.97 -1.51 0.00 0.00 179.97 178.55 2bk3 h ASN 283 N 0.84 -0.06 0.50 -3.80 -1.24 -0.95 -2.25 115.58 108.62 2bk3 h ASN 283 Ca 0.17 0.15 -0.30 0.00 0.71 0.00 0.00 56.30 57.03 2bk3 h ASN 283 Cb 0.45 0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.72 2bk3 h ASN 283 CO 0.02 -0.07 -1.44 1.56 -1.29 0.00 0.00 177.43 176.21 2bk3 h GLN 284 N 0.23 0.26 -0.76 6.67 4.20 -1.31 -3.35 115.11 121.05 2bk3 h GLN 284 Ca 0.41 -0.45 0.13 0.00 0.06 0.00 0.00 58.65 58.80 2bk3 h GLN 284 Cb 0.70 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.56 2bk3 h GLN 284 CO -0.53 1.15 0.33 1.98 -0.67 0.00 0.00 178.83 181.09 2bk3 h MET 285 N 0.07 0.49 0.00 1.46 4.05 -0.43 -1.92 114.93 118.65 2bk3 h MET 285 Ca -0.21 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 2bk3 h MET 285 Cb 2.01 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 2bk3 h MET 285 CO 0.18 0.32 0.00 0.44 0.23 0.00 0.00 176.91 178.08 2bk3 n ILE 286 N -4.95 0.25 0.58 1.77 -5.35 -0.92 -1.01 119.36 109.74 2bk3 n ILE 286 Ca 0.14 0.06 0.11 0.00 -0.27 0.00 0.00 62.75 62.79 2bk3 n ILE 286 Cb 0.39 -0.76 0.15 0.00 -1.74 0.00 0.00 39.64 37.68 2bk3 n ILE 286 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2bk3 n THR 287 N -1.16 0.26 0.00 7.28 -2.24 -0.72 -4.34 114.28 113.35 2bk3 n THR 287 Ca 0.11 -0.63 0.01 0.00 -2.27 0.00 0.00 64.05 61.27 2bk3 n THR 287 Cb 0.11 1.21 0.02 0.00 -2.10 0.00 0.00 70.33 69.57 2bk3 n THR 287 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bk3 n ARG 288 N 1.31 1.95 -3.57 -0.78 1.74 -0.18 -4.89 116.66 112.24 2bk3 n ARG 288 Ca 0.15 -1.32 -0.27 0.00 -0.77 0.00 0.00 57.85 55.64 2bk3 n ARG 288 Cb 0.56 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 30.86 2bk3 n ARG 288 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2bk3 n VAL 289 N -0.21 0.11 -1.72 1.55 0.24 -1.24 -4.53 118.33 112.52 2bk3 n VAL 289 Ca 0.02 -4.12 -0.30 0.00 -2.04 0.00 0.00 64.34 57.90 2bk3 n VAL 289 Cb 0.21 -1.90 0.08 0.00 -1.47 0.00 0.00 33.84 30.76 2bk3 n VAL 289 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2bk3 s PRO 290 N -0.76 2.18 0.20 7.34 0.04 -1.25 -4.33 135.00 138.42 2bk3 s PRO 290 Ca 0.30 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.83 2bk3 s PRO 290 Cb 0.03 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2bk3 s PRO 290 CO -0.17 -1.51 0.25 -0.51 0.04 0.00 0.00 177.00 175.10 2bk3 s LEU 291 N -5.64 4.07 0.00 -3.56 1.02 -1.26 -1.11 118.68 112.20 2bk3 s LEU 291 Ca 0.61 -0.04 -0.18 0.00 0.02 0.00 0.00 54.13 54.54 2bk3 s LEU 291 Cb -0.13 -2.63 0.27 0.00 0.02 0.00 0.00 46.19 43.72 2bk3 s LEU 291 CO 0.52 0.00 0.92 0.61 0.02 0.00 0.00 176.35 178.42 2bk3 n GLY 292 N -0.89 -2.82 3.07 -3.19 0.00 -0.92 -4.76 105.19 95.69 2bk3 n GLY 292 Ca -0.08 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 2bk3 n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk3 s SER 293 N -3.94 2.49 -0.13 1.61 0.01 -0.70 -2.23 113.70 110.81 2bk3 s SER 293 Ca 0.60 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 57.22 2bk3 s SER 293 Cb -0.06 -1.12 0.05 0.00 0.21 0.00 0.00 66.02 65.10 2bk3 s SER 293 CO 0.47 0.03 0.51 0.54 0.41 0.00 0.00 173.24 175.19 2bk3 s VAL 294 N 0.94 0.01 -0.18 3.43 0.11 -1.26 -0.43 120.40 123.02 2bk3 s VAL 294 Ca -0.07 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2bk3 s VAL 294 Cb -0.15 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2bk3 s VAL 294 CO -0.01 -0.05 -0.10 -0.63 -3.33 0.00 0.00 175.10 170.98 2bk3 s ILE 295 N -0.30 3.04 -0.19 7.04 1.01 -0.70 -2.18 121.20 128.91 2bk3 s ILE 295 Ca -0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 2bk3 s ILE 295 Cb -0.03 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2bk3 s ILE 295 CO 0.03 0.48 0.44 -0.75 0.00 0.00 0.00 174.94 175.14 2bk3 s LYS 296 N 1.06 4.20 -0.07 2.79 2.20 -0.56 -1.13 119.74 128.23 2bk3 s LYS 296 Ca -0.00 0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 2bk3 s LYS 296 Cb -0.15 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2bk3 s LYS 296 CO -0.02 -0.04 -0.14 0.00 -0.36 0.00 0.00 175.35 174.80 2bk3 s ILE 298 N 0.60 1.60 -0.20 0.00 1.09 0.85 -0.66 121.20 124.48 2bk3 s ILE 298 Ca -0.15 -0.79 -0.09 0.00 -1.10 0.00 0.00 60.65 58.53 2bk3 s ILE 298 Cb -0.16 -1.58 -0.04 0.00 -1.06 0.00 0.00 42.46 39.62 2bk3 s ILE 298 CO 0.04 0.34 0.09 -0.69 -0.10 0.00 0.00 174.94 174.62 2bk3 s VAL 299 N 1.45 5.01 -0.07 2.92 1.01 -0.47 -1.66 120.40 128.59 2bk3 s VAL 299 Ca 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 2bk3 s VAL 299 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2bk3 s VAL 299 CO -0.10 0.43 0.10 -0.31 0.00 0.00 0.00 175.10 175.22 2bk3 s TYR 300 N 0.51 3.42 0.13 5.22 1.51 -0.11 -0.94 117.35 127.10 2bk3 s TYR 300 Ca 0.05 0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 2bk3 s TYR 300 Cb -0.12 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2bk3 s TYR 300 CO 0.00 0.62 -0.09 0.71 -1.11 0.00 0.00 175.55 175.68 2bk3 s TYR 301 N -1.06 1.17 0.25 2.71 1.51 -0.25 -0.41 117.35 121.28 2bk3 s TYR 301 Ca 0.18 -0.79 -0.04 0.00 -1.01 0.00 0.00 57.07 55.41 2bk3 s TYR 301 Cb -0.12 -0.61 0.35 0.00 -0.11 0.00 0.00 41.96 41.47 2bk3 s TYR 301 CO 0.07 0.03 1.87 -0.22 -1.11 0.00 0.00 175.55 176.19 2bk3 h LYS 302 N 2.87 1.06 -4.18 -0.62 3.64 -1.85 -3.32 116.57 114.17 2bk3 h LYS 302 Ca -0.36 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 58.83 2bk3 h LYS 302 Cb 1.18 -0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 32.61 2bk3 h LYS 302 CO 0.63 0.70 -0.65 -1.21 -2.27 0.00 0.00 179.45 176.66 2bk3 s GLU 303 N -6.06 0.62 -1.50 1.90 2.02 -1.26 -4.71 118.70 109.71 2bk3 s GLU 303 Ca -0.13 -1.16 -0.13 0.00 0.02 0.00 0.00 54.97 53.58 2bk3 s GLU 303 Cb 0.19 0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.64 2bk3 s GLU 303 CO 0.80 -0.12 2.45 -0.35 0.02 0.00 0.00 175.26 178.06 2bk3 n PRO 304 N 0.17 3.09 0.11 0.39 -0.04 -1.26 -4.77 135.00 132.69 2bk3 n PRO 304 Ca -0.15 -2.46 0.16 0.00 -0.04 0.00 0.00 63.50 61.02 2bk3 n PRO 304 Cb 0.61 -3.13 0.70 0.00 -0.04 0.00 0.00 33.50 31.64 2bk3 n PRO 304 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2bk3 h PHE 305 N 5.72 0.00 -0.48 0.54 -0.00 -1.97 -1.73 116.94 119.02 2bk3 h PHE 305 Ca 0.66 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.67 2bk3 h PHE 305 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.45 2bk3 h PHE 305 CO 1.59 0.00 0.32 0.11 -0.00 0.00 0.00 178.31 180.33 2bk3 h TRP 306 N 0.00 0.49 -0.20 6.09 0.09 -1.86 -2.04 115.95 118.53 2bk3 h TRP 306 Ca 0.15 0.01 0.01 0.00 0.09 0.00 0.00 58.89 59.15 2bk3 h TRP 306 Cb 0.62 -0.16 -0.01 0.00 0.08 0.00 0.00 29.16 29.69 2bk3 h TRP 306 CO 0.00 0.28 0.13 0.00 0.09 0.00 0.00 178.44 178.94 2bk3 h ARG 307 N 0.50 0.21 0.00 0.12 3.08 -1.16 -1.84 114.38 115.29 2bk3 h ARG 307 Ca 0.20 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2bk3 h ARG 307 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2bk3 h ARG 307 CO -0.05 0.14 -0.20 0.87 -1.07 0.00 0.00 179.97 179.66 2bk3 h LYS 308 N 0.21 0.00 -0.51 0.04 1.57 -1.54 -1.73 116.57 114.62 2bk3 h LYS 308 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2bk3 h LYS 308 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2bk3 h LYS 308 CO -0.02 0.20 0.00 1.63 -0.57 0.00 0.00 179.45 180.70 2bk3 n LYS 309 N -3.63 2.21 -2.92 3.15 5.02 -0.74 -4.92 118.16 116.32 2bk3 n LYS 309 Ca -0.01 -1.80 -0.17 0.00 -2.02 0.00 0.00 58.31 54.30 2bk3 n LYS 309 Cb 0.33 -1.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 2bk3 n LYS 309 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bk3 n ASP 310 N 0.93 -5.15 -4.56 4.39 2.03 -0.65 -5.00 116.55 108.55 2bk3 n ASP 310 Ca 0.17 -0.25 -0.34 0.00 0.52 0.00 0.00 54.79 54.89 2bk3 n ASP 310 Cb 0.44 -3.96 -0.11 0.00 -0.72 0.00 0.00 41.12 36.77 2bk3 n ASP 310 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2bk3 s TYR 311 N -3.06 2.98 -0.27 -0.67 4.12 -0.89 -1.28 117.35 118.27 2bk3 s TYR 311 Ca 0.27 -0.07 0.19 0.00 0.02 0.00 0.00 57.07 57.48 2bk3 s TYR 311 Cb -0.12 -1.78 0.15 0.00 -1.52 0.00 0.00 41.96 38.69 2bk3 s TYR 311 CO 0.33 0.23 1.42 0.00 0.02 0.00 0.00 175.55 177.56 2bk3 n GLY 313 N 1.19 1.06 3.68 0.00 0.00 -1.26 -4.37 105.19 105.48 2bk3 n GLY 313 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2bk3 n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bk3 s THR 314 N -2.00 4.53 -0.06 2.61 2.01 -1.26 -3.79 115.64 117.67 2bk3 s THR 314 Ca 0.00 1.82 0.02 0.00 0.31 0.00 0.00 61.69 63.85 2bk3 s THR 314 Cb 0.00 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.35 2bk3 s THR 314 CO 0.00 -0.03 -0.12 -0.04 -0.69 0.00 0.00 174.62 173.74 2bk3 s MET 315 N 2.33 1.66 -0.32 4.92 1.00 -1.15 -1.52 119.30 126.23 2bk3 s MET 315 Ca 0.51 -0.40 -0.06 0.00 0.00 0.00 0.00 55.69 55.74 2bk3 s MET 315 Cb -0.21 -1.38 0.03 0.00 0.00 0.00 0.00 34.83 33.27 2bk3 s MET 315 CO 0.18 0.02 0.09 0.42 0.00 0.00 0.00 175.02 175.73 2bk3 s ILE 316 N 0.68 3.80 -0.30 2.53 1.01 0.98 -1.83 121.20 128.08 2bk3 s ILE 316 Ca -0.14 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.51 2bk3 s ILE 316 Cb -0.16 -3.09 0.07 0.00 0.01 0.00 0.00 42.46 39.29 2bk3 s ILE 316 CO 0.03 -0.09 -0.02 -0.63 0.00 0.00 0.00 174.94 174.23 2bk3 s ILE 317 N 1.43 2.59 0.40 2.92 1.01 0.69 -0.47 121.20 129.77 2bk3 s ILE 317 Ca -0.00 -1.68 -0.22 0.00 0.00 0.00 0.00 60.65 58.75 2bk3 s ILE 317 Cb -0.19 -2.59 -0.11 0.00 0.01 0.00 0.00 42.46 39.59 2bk3 s ILE 317 CO 0.02 -0.20 0.94 -0.62 0.00 0.00 0.00 174.94 175.09 2bk3 s ASP 318 N 1.19 7.01 0.00 3.58 -1.08 -0.61 -4.47 116.67 122.29 2bk3 s ASP 318 Ca -0.03 1.69 0.00 0.00 -0.52 0.00 0.00 52.55 53.69 2bk3 s ASP 318 Cb -0.20 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 2bk3 s ASP 318 CO -0.04 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 175.97 2bk3 n GLY 319 N -0.38 2.91 0.29 2.66 0.00 -1.26 -4.75 105.19 104.66 2bk3 n GLY 319 Ca 0.06 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 2bk3 n GLY 319 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bk3 h GLU 320 N 0.00 0.70 -0.24 1.61 4.57 -2.03 -3.21 114.58 115.98 2bk3 h GLU 320 Ca 0.00 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 57.92 2bk3 h GLU 320 Cb 0.00 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2bk3 h GLU 320 CO 0.00 0.67 -0.31 0.93 -1.18 0.00 0.00 179.01 179.11 2bk3 h GLU 321 N 0.67 0.50 -6.36 1.92 3.07 -2.00 -3.43 114.58 108.95 2bk3 h GLU 321 Ca 0.15 -0.21 -0.54 0.00 -0.50 0.00 0.00 59.36 58.25 2bk3 h GLU 321 Cb 0.31 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2bk3 h GLU 321 CO 0.00 0.76 0.98 0.00 -1.40 0.00 0.00 179.01 179.35 2bk3 s ALA 322 N -4.39 3.63 0.37 3.43 0.00 -1.22 -4.91 121.76 118.69 2bk3 s ALA 322 Ca -0.07 1.02 0.08 0.00 0.00 0.00 0.00 51.96 52.99 2bk3 s ALA 322 Cb 0.13 -3.68 0.73 0.00 0.00 0.00 0.00 23.12 20.30 2bk3 s ALA 322 CO 0.80 -1.14 1.91 -1.00 0.00 0.00 0.00 175.76 176.32 2bk3 h PRO 323 N 8.57 0.34 -5.31 0.00 0.13 -1.90 -3.43 132.00 130.40 2bk3 h PRO 323 Ca -0.40 -0.07 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 2bk3 h PRO 323 Cb 1.19 -0.05 -0.33 0.00 0.13 0.00 0.00 31.00 31.94 2bk3 h PRO 323 CO 0.93 0.43 -0.87 0.08 -0.23 0.00 0.00 178.00 178.34 2bk3 s VAL 324 N -4.83 2.14 -0.53 1.56 1.01 -1.26 -4.36 120.40 114.14 2bk3 s VAL 324 Ca -0.06 -0.98 0.22 0.00 0.00 0.00 0.00 61.98 61.16 2bk3 s VAL 324 Cb 0.15 -1.83 -0.22 0.00 0.00 0.00 0.00 36.38 34.48 2bk3 s VAL 324 CO 0.74 0.55 0.81 0.00 0.00 0.00 0.00 175.10 177.21 2bk3 n ALA 325 N 3.65 3.60 -3.47 5.51 0.00 -1.21 -4.68 120.51 123.89 2bk3 n ALA 325 Ca -0.19 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 2bk3 n ALA 325 Cb 0.53 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 2bk3 n ALA 325 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2bk3 s TYR 326 N -3.25 -0.58 0.10 0.00 5.04 -1.26 -0.22 117.35 117.18 2bk3 s TYR 326 Ca 0.01 1.35 0.02 0.00 -2.44 0.00 0.00 57.07 56.01 2bk3 s TYR 326 Cb 0.15 0.23 -0.04 0.00 0.35 0.00 0.00 41.96 42.65 2bk3 s TYR 326 CO 0.86 -0.29 -0.07 0.95 -1.34 0.00 0.00 175.55 175.65 2bk3 s THR 327 N 0.61 0.76 0.04 4.34 -4.23 -0.76 -2.42 115.64 113.97 2bk3 s THR 327 Ca -0.03 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 2bk3 s THR 327 Cb -0.05 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 2bk3 s THR 327 CO -0.04 -0.77 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.46 2bk3 s LEU 328 N -2.83 2.27 0.02 4.79 1.43 -0.17 -2.94 118.68 121.26 2bk3 s LEU 328 Ca 0.09 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2bk3 s LEU 328 Cb 0.02 -0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.13 2bk3 s LEU 328 CO -0.03 -0.27 1.98 -0.62 0.23 0.00 0.00 176.35 177.63 2bk3 s ASP 329 N -1.65 6.41 -0.07 2.29 -1.08 -1.25 -0.41 116.67 120.90 2bk3 s ASP 329 Ca -0.11 2.64 0.16 0.00 -0.52 0.00 0.00 52.55 54.72 2bk3 s ASP 329 Cb -0.09 -2.53 0.55 0.00 -1.46 0.00 0.00 42.92 39.39 2bk3 s ASP 329 CO -0.01 -1.09 1.47 -0.67 0.52 0.00 0.00 175.17 175.38 2bk3 n ASP 330 N 7.72 3.94 -4.75 -0.34 2.03 0.23 -4.53 116.55 120.84 2bk3 n ASP 330 Ca 0.20 -2.35 -0.39 0.00 0.52 0.00 0.00 54.79 52.78 2bk3 n ASP 330 Cb 0.41 -0.45 0.04 0.00 -0.72 0.00 0.00 41.12 40.40 2bk3 n ASP 330 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2bk3 s THR 331 N -1.64 2.03 0.65 5.18 2.01 -1.22 -4.61 115.64 118.04 2bk3 s THR 331 Ca 0.41 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 2bk3 s THR 331 Cb 0.26 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 2bk3 s THR 331 CO 0.20 0.00 1.12 -0.54 -0.69 0.00 0.00 174.62 174.72 2bk3 s LYS 332 N -2.84 2.79 0.56 4.92 -0.14 -0.86 -4.90 119.74 119.27 2bk3 s LYS 332 Ca 0.70 1.46 0.25 0.00 -1.36 0.00 0.00 55.97 57.03 2bk3 s LYS 332 Cb -0.41 -1.94 1.52 0.00 -1.68 0.00 0.00 37.83 35.31 2bk3 s LYS 332 CO 0.50 -1.27 2.09 -1.00 -0.76 0.00 0.00 175.35 174.91 2bk3 h PRO 333 N 0.14 0.00 0.00 -1.68 0.13 -1.93 0.12 132.00 128.78 2bk3 h PRO 333 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2bk3 h PRO 333 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bk3 h PRO 333 CO 0.54 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.24 2bk3 h GLU 334 N 0.00 0.00 0.00 0.86 3.07 -2.02 -3.46 114.58 113.02 2bk3 h GLU 334 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2bk3 h GLU 334 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2bk3 h GLU 334 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2bk3 n GLY 335 N 0.39 0.66 3.93 -3.84 0.00 0.43 -5.08 105.19 101.68 2bk3 n GLY 335 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2bk3 n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk3 s ASN 336 N -2.74 4.80 -1.44 1.61 2.20 -1.26 -4.56 114.94 113.54 2bk3 s ASN 336 Ca 0.00 -1.08 -0.06 0.00 -0.94 0.00 0.00 52.86 50.78 2bk3 s ASN 336 Cb 0.00 0.25 0.04 0.00 -2.00 0.00 0.00 41.25 39.54 2bk3 s ASN 336 CO 0.00 -1.10 0.72 -1.22 -2.94 0.00 0.00 177.10 172.56 2bk3 n TYR 337 N -1.85 -1.94 -1.57 1.54 4.02 -1.26 -2.03 117.16 114.08 2bk3 n TYR 337 Ca 0.03 0.83 -0.50 0.00 -0.01 0.00 0.00 57.90 58.26 2bk3 n TYR 337 Cb 0.63 -3.96 -0.04 0.00 -0.02 0.00 0.00 39.34 35.94 2bk3 n TYR 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bk3 n ALA 338 N -4.44 -1.12 -3.50 -0.72 0.00 -1.25 -4.19 120.51 105.30 2bk3 n ALA 338 Ca -0.17 0.48 -0.14 0.00 0.00 0.00 0.00 53.44 53.61 2bk3 n ALA 338 Cb 0.62 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 2bk3 n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bk3 s ALA 339 N -0.15 -1.76 -0.15 0.00 0.00 -1.26 -1.09 121.76 117.35 2bk3 s ALA 339 Ca 0.75 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 2bk3 s ALA 339 Cb -0.90 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2bk3 s ALA 339 CO 0.52 -0.50 -0.12 0.42 0.00 0.00 0.00 175.76 176.09 2bk3 s ILE 340 N -2.04 3.07 -0.13 0.00 -1.09 -0.11 -0.61 121.20 120.28 2bk3 s ILE 340 Ca -0.05 -0.64 -0.14 0.00 -2.23 0.00 0.00 60.65 57.59 2bk3 s ILE 340 Cb -0.00 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 2bk3 s ILE 340 CO 0.01 0.51 0.31 -0.32 -1.23 0.00 0.00 174.94 174.21 2bk3 s MET 341 N 0.62 4.15 0.04 2.79 -2.45 0.45 -1.36 119.30 123.54 2bk3 s MET 341 Ca -0.07 0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.52 2bk3 s MET 341 Cb -0.15 -3.38 -0.03 0.00 1.25 0.00 0.00 34.83 32.52 2bk3 s MET 341 CO 0.03 0.34 -0.04 0.20 1.05 0.00 0.00 175.02 176.59 2bk3 s GLY 342 N 0.14 0.41 -0.15 2.11 0.00 0.16 -1.00 107.32 109.00 2bk3 s GLY 342 Ca 0.18 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 2bk3 s GLY 342 CO 0.06 -0.94 -0.02 -1.36 0.00 0.00 0.00 173.10 170.83 2bk3 s PHE 343 N -2.30 3.06 -0.36 1.90 2.99 -1.02 -1.33 117.98 120.93 2bk3 s PHE 343 Ca -0.06 -0.18 -0.16 0.00 0.00 0.00 0.00 56.93 56.54 2bk3 s PHE 343 Cb -0.04 -1.94 -0.01 0.00 0.00 0.00 0.00 43.02 41.04 2bk3 s PHE 343 CO -0.03 0.07 0.37 0.42 -0.00 0.00 0.00 175.22 176.05 2bk3 s ILE 344 N 0.15 5.16 -0.07 0.64 1.01 -0.29 -3.36 121.20 124.44 2bk3 s ILE 344 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2bk3 s ILE 344 Cb -0.13 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2bk3 s ILE 344 CO 0.02 -0.15 0.01 -0.76 0.00 0.00 0.00 174.94 174.06 2bk3 s LEU 345 N 2.03 3.60 0.00 2.97 1.43 -1.26 -1.72 118.68 125.72 2bk3 s LEU 345 Ca 0.12 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2bk3 s LEU 345 Cb -0.17 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.18 2bk3 s LEU 345 CO 0.12 0.36 0.00 0.00 0.23 0.00 0.00 176.35 177.06 2bk3 n ALA 346 N 1.97 0.00 0.23 4.21 0.00 0.43 -1.81 120.51 125.54 2bk3 n ALA 346 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 2bk3 n ALA 346 Cb 0.53 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.53 2bk3 n ALA 346 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2bk3 h HIS 347 N 0.00 0.00 -0.23 0.00 2.07 -1.91 -1.48 115.15 113.60 2bk3 h HIS 347 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2bk3 h HIS 347 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2bk3 h HIS 347 CO 0.00 0.14 -0.13 0.87 -3.07 0.00 0.00 177.93 175.74 2bk3 h LYS 348 N 0.00 0.38 -0.70 5.12 1.57 -1.72 -0.32 116.57 120.91 2bk3 h LYS 348 Ca -0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2bk3 h LYS 348 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2bk3 h LYS 348 CO 0.02 0.52 0.29 0.00 -0.57 0.00 0.00 179.45 179.70 2bk3 h ALA 349 N 1.51 0.90 -0.28 3.86 0.00 -1.26 -0.68 119.26 123.31 2bk3 h ALA 349 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2bk3 h ALA 349 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bk3 h ALA 349 CO 0.03 0.51 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 2bk3 h ARG 350 N 0.99 0.53 -0.25 0.00 -0.00 -1.26 -2.71 114.38 111.69 2bk3 h ARG 350 Ca 0.23 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.98 59.49 2bk3 h ARG 350 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.11 2bk3 h ARG 350 CO -0.02 0.71 -0.01 -0.22 0.00 0.00 0.00 179.97 180.43 2bk3 h LYS 351 N 0.30 0.44 -0.00 0.04 3.64 -0.98 -3.31 116.57 116.69 2bk3 h LYS 351 Ca 0.08 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2bk3 h LYS 351 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2bk3 h LYS 351 CO 0.02 0.62 -0.28 1.28 -2.27 0.00 0.00 179.45 178.82 2bk3 n LEU 352 N -4.63 0.41 0.28 5.20 4.77 -0.27 -3.58 117.00 119.18 2bk3 n LEU 352 Ca -0.04 0.11 0.15 0.00 -0.03 0.00 0.00 56.01 56.21 2bk3 n LEU 352 Cb 0.25 -0.29 0.81 0.00 -2.33 0.00 0.00 43.42 41.85 2bk3 n LEU 352 CO 0.38 0.09 1.02 0.00 -1.33 0.00 0.00 177.39 177.55 2bk3 h ALA 353 N 3.16 1.18 0.00 -1.18 0.00 -1.57 -2.51 119.26 118.34 2bk3 h ALA 353 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2bk3 h ALA 353 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2bk3 h ALA 353 CO 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 179.25 179.20 2bk3 h ARG 354 N 0.00 0.00 -7.45 0.00 3.08 -1.77 -3.45 114.38 104.79 2bk3 h ARG 354 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 2bk3 h ARG 354 Cb 0.31 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.49 2bk3 h ARG 354 CO 0.01 0.14 0.28 -0.51 -1.07 0.00 0.00 179.97 178.82 2bk3 s LEU 355 N -8.35 1.99 0.61 3.04 1.43 -0.95 -5.06 118.68 111.39 2bk3 s LEU 355 Ca -0.04 1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 54.03 2bk3 s LEU 355 Cb 0.15 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 2bk3 s LEU 355 CO 0.66 -2.61 0.97 0.42 0.23 0.00 0.00 176.35 176.02 2bk3 s THR 356 N -3.19 4.24 0.24 5.49 -4.23 -1.26 -4.93 115.64 112.00 2bk3 s THR 356 Ca 0.64 0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 2bk3 s THR 356 Cb -0.16 -3.69 0.22 0.00 1.34 0.00 0.00 72.50 70.21 2bk3 s THR 356 CO 0.54 -0.82 1.71 0.50 -0.54 0.00 0.00 174.62 176.01 2bk3 h LYS 357 N -0.26 0.35 -0.38 3.99 3.64 -1.96 -1.07 116.57 120.87 2bk3 h LYS 357 Ca -0.45 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 58.79 2bk3 h LYS 357 Cb 1.22 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2bk3 h LYS 357 CO 0.62 0.23 -0.23 0.93 -2.27 0.00 0.00 179.45 178.73 2bk3 h GLU 358 N 0.36 0.77 -0.62 1.90 3.07 -1.99 -1.15 114.58 116.91 2bk3 h GLU 358 Ca 0.41 -0.31 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 2bk3 h GLU 358 Cb 0.65 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 2bk3 h GLU 358 CO -0.44 0.92 0.08 0.93 -1.40 0.00 0.00 179.01 179.10 2bk3 h GLU 359 N 0.67 1.03 -0.46 2.33 5.08 -1.79 -2.06 114.58 119.38 2bk3 h GLU 359 Ca 0.09 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2bk3 h GLU 359 Cb 0.74 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2bk3 h GLU 359 CO 0.06 0.97 0.15 0.00 -1.00 0.00 0.00 179.01 179.19 2bk3 h ARG 360 N 0.94 0.72 -0.61 2.33 3.08 -0.97 -2.43 114.38 117.44 2bk3 h ARG 360 Ca 0.19 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2bk3 h ARG 360 Cb 0.45 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 2bk3 h ARG 360 CO 0.02 0.69 0.32 1.25 -1.07 0.00 0.00 179.97 181.17 2bk3 h LEU 361 N 0.61 0.46 -0.28 3.04 5.85 -1.08 -1.55 115.31 122.36 2bk3 h LEU 361 Ca 0.15 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2bk3 h LEU 361 Cb 0.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2bk3 h LEU 361 CO -0.01 0.30 0.16 0.50 -0.34 0.00 0.00 178.44 179.06 2bk3 h LYS 362 N 0.60 0.38 -0.94 1.25 3.64 -1.22 -1.07 116.57 119.21 2bk3 h LYS 362 Ca 0.28 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2bk3 h LYS 362 Cb 0.19 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 2bk3 h LYS 362 CO -0.19 0.31 0.56 0.87 -2.27 0.00 0.00 179.45 178.73 2bk3 h LYS 363 N 0.35 1.29 -0.17 1.90 1.57 -1.13 -1.72 116.57 118.66 2bk3 h LYS 363 Ca 0.10 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2bk3 h LYS 363 Cb 0.03 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 2bk3 h LYS 363 CO -0.02 0.91 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.63 2bk3 h LEU 364 N 1.30 0.35 -0.78 2.94 4.07 -1.07 -1.78 115.31 120.34 2bk3 h LEU 364 Ca 0.34 -0.40 0.02 0.00 0.08 0.00 0.00 57.88 57.92 2bk3 h LEU 364 Cb -0.04 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 2bk3 h LEU 364 CO -0.06 0.67 0.50 0.00 -1.08 0.00 0.00 178.44 178.47 2bk3 h GLU 366 N 1.01 1.11 -0.26 0.00 5.08 -1.28 -0.23 114.58 120.01 2bk3 h GLU 366 Ca 0.30 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2bk3 h GLU 366 Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2bk3 h GLU 366 CO -0.09 1.00 0.12 1.25 -1.00 0.00 0.00 179.01 180.29 2bk3 h LEU 367 N 1.04 0.34 -0.85 1.33 5.85 -0.91 -2.58 115.31 119.53 2bk3 h LEU 367 Ca 0.21 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 2bk3 h LEU 367 Cb 0.42 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2bk3 h LEU 367 CO 0.01 0.38 -0.19 1.88 -0.34 0.00 0.00 178.44 180.19 2bk3 h TYR 368 N 0.27 0.73 -0.56 1.25 0.99 -0.77 -0.54 116.97 118.34 2bk3 h TYR 368 Ca 0.09 -0.15 0.01 0.00 2.00 0.00 0.00 58.73 60.68 2bk3 h TYR 368 Cb 0.14 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 37.66 2bk3 h TYR 368 CO -0.02 0.79 0.37 0.00 -0.00 0.00 0.00 178.16 179.31 2bk3 h ALA 369 N 1.21 0.71 0.70 3.88 0.00 -0.97 0.02 119.26 124.82 2bk3 h ALA 369 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2bk3 h ALA 369 Cb 0.64 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2bk3 h ALA 369 CO 0.05 0.14 -0.35 0.87 0.00 0.00 0.00 179.25 179.96 2bk3 h LYS 370 N 0.75 -0.93 -0.62 0.00 1.57 -1.02 0.45 116.57 116.78 2bk3 h LYS 370 Ca 0.21 0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2bk3 h LYS 370 Cb -0.08 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2bk3 h LYS 370 CO -0.05 -0.62 0.13 0.28 -0.57 0.00 0.00 179.45 178.62 2bk3 h VAL 371 N -0.96 1.26 -0.00 0.50 2.07 -0.97 -2.58 116.25 115.57 2bk3 h VAL 371 Ca -0.10 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2bk3 h VAL 371 Cb 0.74 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2bk3 h VAL 371 CO 0.15 0.36 -0.32 0.18 0.02 0.00 0.00 177.57 177.96 2bk3 n LEU 372 N -4.31 0.33 -3.18 2.57 4.77 -0.02 -4.79 117.00 112.36 2bk3 n LEU 372 Ca 0.03 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 2bk3 n LEU 372 Cb 0.26 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2bk3 n LEU 372 CO 0.42 0.08 0.18 0.61 -1.33 0.00 0.00 177.39 177.35 2bk3 n GLY 373 N 1.50 -0.33 2.74 -0.72 0.00 0.01 -5.01 105.19 103.38 2bk3 n GLY 373 Ca 0.06 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2bk3 n GLY 373 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk3 s SER 374 N -3.55 0.86 0.58 1.61 0.01 -0.36 -5.01 113.70 107.84 2bk3 s SER 374 Ca 0.36 0.16 0.34 0.00 1.31 0.00 0.00 55.95 58.13 2bk3 s SER 374 Cb -0.16 0.00 1.77 0.00 0.21 0.00 0.00 66.02 67.85 2bk3 s SER 374 CO 0.64 -0.23 2.17 -0.07 0.41 0.00 0.00 173.24 176.15 2bk3 h LEU 375 N 8.24 0.00 -2.33 2.44 3.38 -1.95 -2.81 115.31 122.28 2bk3 h LEU 375 Ca -0.17 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2bk3 h LEU 375 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2bk3 h LEU 375 CO 0.19 0.05 0.08 -0.33 0.09 0.00 0.00 178.44 178.52 2bk3 h GLU 376 N 0.00 0.00 0.00 1.13 5.08 -1.96 -1.26 114.58 117.56 2bk3 h GLU 376 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bk3 h GLU 376 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2bk3 h GLU 376 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 2bk3 h ALA 377 N 1.91 1.00 -0.10 3.43 0.00 -1.82 -2.29 119.26 121.39 2bk3 h ALA 377 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bk3 h ALA 377 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bk3 h ALA 377 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2bk3 n LEU 378 N -2.58 1.32 -3.08 0.00 4.77 -0.48 -4.39 117.00 112.57 2bk3 n LEU 378 Ca -0.00 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.18 2bk3 n LEU 378 Cb 0.15 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2bk3 n LEU 378 CO 0.18 0.26 0.18 -0.62 -1.33 0.00 0.00 177.39 176.05 2bk3 n GLU 379 N 0.07 3.15 -2.19 3.23 4.71 -0.86 -5.07 120.64 123.67 2bk3 n GLU 379 Ca 0.17 -4.82 -0.37 0.00 -0.01 0.00 0.00 57.16 52.14 2bk3 n GLU 379 Cb 0.29 -2.25 0.00 0.00 -1.01 0.00 0.00 31.44 28.47 2bk3 n GLU 379 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2bk3 s PRO 380 N -3.26 3.51 -0.01 3.49 0.04 -1.26 -4.69 135.00 132.83 2bk3 s PRO 380 Ca 0.46 1.78 0.22 0.00 0.04 0.00 0.00 61.00 63.50 2bk3 s PRO 380 Cb 0.24 -2.24 -0.28 0.00 0.04 0.00 0.00 34.50 32.26 2bk3 s PRO 380 CO -0.11 -0.76 0.66 1.33 0.04 0.00 0.00 177.00 178.17 2bk3 n VAL 381 N -0.86 0.01 -3.55 -0.36 0.24 0.46 -4.99 118.33 109.28 2bk3 n VAL 381 Ca 0.09 -0.31 -0.07 0.00 -2.04 0.00 0.00 64.34 62.01 2bk3 n VAL 381 Cb 0.49 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.19 2bk3 n VAL 381 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bk3 s HIS 382 N -3.32 -0.27 -0.07 6.34 5.65 -1.23 -5.01 115.29 117.37 2bk3 s HIS 382 Ca -0.02 0.24 -0.05 0.00 0.25 0.00 0.00 55.06 55.48 2bk3 s HIS 382 Cb 0.15 0.51 0.03 0.00 -1.18 0.00 0.00 32.58 32.09 2bk3 s HIS 382 CO 0.89 -0.37 0.19 -0.47 -0.65 0.00 0.00 174.74 174.32 2bk3 s TYR 383 N -2.43 -0.21 -0.01 3.88 5.04 -1.26 -0.93 117.35 121.42 2bk3 s TYR 383 Ca 0.05 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.25 2bk3 s TYR 383 Cb -0.01 0.04 -0.00 0.00 0.35 0.00 0.00 41.96 42.33 2bk3 s TYR 383 CO -0.06 -0.13 -0.09 -1.21 -1.34 0.00 0.00 175.55 172.72 2bk3 s GLU 384 N 0.51 0.81 0.09 4.97 0.41 -0.66 -5.02 118.70 119.81 2bk3 s GLU 384 Ca -0.03 -0.33 -0.09 0.00 -0.41 0.00 0.00 54.97 54.11 2bk3 s GLU 384 Cb -0.05 -0.78 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 2bk3 s GLU 384 CO -0.03 0.18 0.21 -1.83 -0.49 0.00 0.00 175.26 173.30 2bk3 s GLU 385 N -0.11 0.86 -0.14 1.61 -1.05 -1.26 -0.11 118.70 118.49 2bk3 s GLU 385 Ca 0.02 -0.93 -0.06 0.00 -0.15 0.00 0.00 54.97 53.85 2bk3 s GLU 385 Cb -0.05 0.35 0.07 0.00 -0.44 0.00 0.00 34.13 34.06 2bk3 s GLU 385 CO -0.00 -0.28 0.30 0.21 0.95 0.00 0.00 175.26 176.45 2bk3 s LYS 386 N -3.82 0.21 -0.49 -4.83 2.20 -0.10 -5.00 119.74 107.91 2bk3 s LYS 386 Ca 0.05 0.79 -0.19 0.00 -0.36 0.00 0.00 55.97 56.25 2bk3 s LYS 386 Cb 0.04 0.04 0.05 0.00 -1.51 0.00 0.00 37.83 36.45 2bk3 s LYS 386 CO -0.11 -0.25 0.61 1.21 -0.36 0.00 0.00 175.35 176.45 2bk3 s ASN 387 N 2.25 6.24 0.14 1.43 3.84 -1.26 -1.49 114.94 126.08 2bk3 s ASN 387 Ca -0.01 -0.80 0.23 0.00 0.21 0.00 0.00 52.86 52.49 2bk3 s ASN 387 Cb -0.12 -2.29 0.91 0.00 -0.55 0.00 0.00 41.25 39.21 2bk3 s ASN 387 CO -0.10 -0.84 1.72 0.79 -2.79 0.00 0.00 177.10 175.88 2bk3 n TRP 388 N 6.13 0.50 0.30 0.43 7.02 -0.93 -2.99 117.44 127.91 2bk3 n TRP 388 Ca -0.06 0.17 0.16 0.00 -1.02 0.00 0.00 57.50 56.76 2bk3 n TRP 388 Cb 0.46 -0.78 0.66 0.00 -2.42 0.00 0.00 31.31 29.23 2bk3 n TRP 388 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bk3 n GLU 390 N -2.92 0.92 -2.72 0.00 0.28 -1.16 -4.77 120.64 110.28 2bk3 n GLU 390 Ca 0.01 -0.53 -0.43 0.00 -0.16 0.00 0.00 57.16 56.05 2bk3 n GLU 390 Cb 0.29 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.64 2bk3 n GLU 390 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2bk3 s GLU 391 N -2.44 3.67 0.31 3.44 0.41 -1.13 -4.93 118.70 118.05 2bk3 s GLU 391 Ca 0.26 0.42 0.02 0.00 -0.41 0.00 0.00 54.97 55.27 2bk3 s GLU 391 Cb 0.20 -3.90 0.58 0.00 -1.78 0.00 0.00 34.13 29.23 2bk3 s GLU 391 CO 0.49 -1.24 1.92 0.37 -0.49 0.00 0.00 175.26 176.30 2bk3 h GLN 392 N 9.02 0.94 -0.65 1.61 4.15 -1.91 0.07 115.11 128.35 2bk3 h GLN 392 Ca -0.23 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2bk3 h GLN 392 Cb 1.07 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2bk3 h GLN 392 CO 1.07 0.62 0.00 0.66 -1.93 0.00 0.00 178.83 179.25 2bk3 n TYR 393 N -4.49 1.57 0.01 3.99 4.02 -1.26 -4.34 117.16 116.65 2bk3 n TYR 393 Ca 0.13 -0.63 0.00 0.00 -0.01 0.00 0.00 57.90 57.40 2bk3 n TYR 393 Cb 0.22 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 2bk3 n TYR 393 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2bk3 n SER 394 N 1.08 0.21 0.00 7.72 7.64 -1.07 -4.93 113.62 124.27 2bk3 n SER 394 Ca 0.26 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2bk3 n SER 394 Cb 0.93 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 2bk3 n SER 394 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk3 n GLY 395 N 3.04 0.97 0.00 0.23 0.00 -0.01 -4.88 105.19 104.54 2bk3 n GLY 395 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bk3 n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 396 N -2.00 -0.18 3.53 -0.02 0.00 -1.20 -4.45 105.19 100.87 2bk3 n GLY 396 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2bk3 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk3 h TYR 398 N 2.05 0.04 -2.85 0.00 0.05 -1.87 -3.15 116.97 111.24 2bk3 h TYR 398 Ca -0.30 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 2bk3 h TYR 398 Cb 1.29 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 39.03 2bk3 h TYR 398 CO 0.30 0.61 0.25 -2.37 -1.05 0.00 0.00 178.16 175.89 2bk3 n THR 399 N -3.85 0.00 -2.70 -2.88 5.66 -1.26 -4.97 114.28 104.28 2bk3 n THR 399 Ca -0.01 -0.86 -0.41 0.00 -3.05 0.00 0.00 64.05 59.72 2bk3 n THR 399 Cb 0.59 0.86 -0.04 0.00 -1.55 0.00 0.00 70.33 70.19 2bk3 n THR 399 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bk3 s THR 400 N -2.21 4.60 0.19 1.09 2.01 -1.26 -2.15 115.64 117.90 2bk3 s THR 400 Ca 0.14 2.02 0.08 0.00 0.31 0.00 0.00 61.69 64.24 2bk3 s THR 400 Cb -0.04 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2bk3 s THR 400 CO 0.10 0.24 0.01 -0.72 -0.69 0.00 0.00 174.62 173.56 2bk3 s TYR 401 N 0.44 2.84 -0.27 4.92 -0.85 -0.26 -4.97 117.35 119.19 2bk3 s TYR 401 Ca 0.50 -0.15 -0.06 0.00 -0.52 0.00 0.00 57.07 56.84 2bk3 s TYR 401 Cb -0.23 -1.35 0.00 0.00 0.38 0.00 0.00 41.96 40.76 2bk3 s TYR 401 CO 0.29 0.53 0.04 -0.06 -1.52 0.00 0.00 175.55 174.83 2bk3 s PHE 402 N -1.84 3.10 0.99 -3.49 0.40 -1.26 -3.85 117.98 112.03 2bk3 s PHE 402 Ca 0.28 -1.00 -0.12 0.00 -0.60 0.00 0.00 56.93 55.50 2bk3 s PHE 402 Cb -0.09 -2.20 0.18 0.00 0.51 0.00 0.00 43.02 41.43 2bk3 s PHE 402 CO 0.19 -0.57 1.09 -2.14 0.70 0.00 0.00 175.22 174.48 2bk3 s PRO 403 N 1.48 0.50 0.17 0.24 0.02 -1.26 -0.64 135.00 135.51 2bk3 s PRO 403 Ca 0.03 1.02 -0.33 0.00 0.02 0.00 0.00 61.00 61.74 2bk3 s PRO 403 Cb -0.16 -1.71 -0.15 0.00 0.02 0.00 0.00 34.50 32.50 2bk3 s PRO 403 CO 0.01 -2.82 1.35 -0.35 -0.33 0.00 0.00 177.00 174.85 2bk3 n PRO 404 N -4.31 1.61 0.00 5.54 -0.04 -1.26 -2.77 135.00 133.77 2bk3 n PRO 404 Ca 0.07 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2bk3 n PRO 404 Cb 0.54 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 2bk3 n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bk3 n GLY 405 N 2.41 1.42 0.12 0.55 0.00 0.17 -4.94 105.19 104.93 2bk3 n GLY 405 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2bk3 n GLY 405 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk3 h ILE 406 N 0.00 1.07 -0.66 -0.61 1.08 -1.80 -3.28 117.51 113.31 2bk3 h ILE 406 Ca 0.00 -2.38 0.02 0.00 -0.39 0.00 0.00 64.86 62.11 2bk3 h ILE 406 Cb 0.00 2.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.43 2bk3 h ILE 406 CO 0.00 0.67 0.42 0.25 -0.69 0.00 0.00 178.15 178.80 2bk3 h LEU 407 N -0.40 0.69 -0.89 1.44 5.85 -1.92 0.20 115.31 120.28 2bk3 h LEU 407 Ca -0.29 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 2bk3 h LEU 407 Cb 1.68 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 2bk3 h LEU 407 CO 0.04 0.48 -0.29 0.71 -0.34 0.00 0.00 178.44 179.03 2bk3 h THR 408 N 0.82 1.28 0.01 1.05 1.35 -1.93 0.75 112.91 116.24 2bk3 h THR 408 Ca 0.26 -1.35 -0.27 0.00 -0.55 0.00 0.00 66.41 64.51 2bk3 h THR 408 Cb -0.00 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.80 2bk3 h THR 408 CO -0.10 0.42 -1.44 1.56 -0.25 0.00 0.00 175.52 175.71 2bk3 h GLN 409 N 0.41 0.03 0.00 4.72 1.08 -1.47 -3.41 115.11 116.47 2bk3 h GLN 409 Ca 0.05 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2bk3 h GLN 409 Cb 0.73 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2bk3 h GLN 409 CO 0.06 0.75 -0.13 0.66 -0.95 0.00 0.00 178.83 179.22 2bk3 n TYR 410 N -3.20 0.00 -0.35 2.96 4.02 0.64 -4.84 117.16 116.39 2bk3 n TYR 410 Ca -0.11 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.84 2bk3 n TYR 410 Cb 1.01 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 40.56 2bk3 n TYR 410 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2bk3 h GLY 411 N 0.00 1.57 2.00 2.72 0.00 -0.86 -1.49 103.07 107.02 2bk3 h GLY 411 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2bk3 h GLY 411 CO 0.00 0.14 0.00 0.07 0.00 0.00 0.00 176.54 176.75 2bk3 h ARG 412 N 0.94 0.00 0.00 4.80 0.11 -1.88 -2.42 114.38 115.93 2bk3 h ARG 412 Ca 0.48 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.50 2bk3 h ARG 412 Cb 0.48 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2bk3 h ARG 412 CO -0.27 0.00 -0.30 0.28 0.10 0.00 0.00 179.97 179.78 2bk3 h VAL 413 N 0.00 0.58 -0.50 0.08 2.07 -1.63 -3.39 116.25 113.45 2bk3 h VAL 413 Ca 0.00 -1.55 0.10 0.00 0.82 0.00 0.00 66.70 66.07 2bk3 h VAL 413 Cb 0.14 2.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.88 2bk3 h VAL 413 CO 0.00 0.29 -0.21 -0.07 0.02 0.00 0.00 177.57 177.61 2bk3 h LEU 414 N 0.00 -0.72 -3.11 2.57 3.38 -1.55 -2.56 115.31 113.32 2bk3 h LEU 414 Ca -0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2bk3 h LEU 414 Cb 1.05 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2bk3 h LEU 414 CO 0.04 -0.23 0.00 -2.11 0.09 0.00 0.00 178.44 176.22 2bk3 n ARG 415 N -5.40 2.62 -2.32 1.13 1.85 -1.26 -4.89 116.66 108.38 2bk3 n ARG 415 Ca 0.04 -2.53 -0.43 0.00 -1.00 0.00 0.00 57.85 53.94 2bk3 n ARG 415 Cb 0.31 -1.60 -0.02 0.00 -1.05 0.00 0.00 32.46 30.10 2bk3 n ARG 415 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2bk3 s GLN 416 N -2.32 4.25 0.53 2.89 0.74 -0.97 -4.62 119.66 120.17 2bk3 s GLN 416 Ca 0.33 1.81 -0.22 0.00 0.05 0.00 0.00 55.36 57.32 2bk3 s GLN 416 Cb 0.26 -3.74 -0.06 0.00 1.10 0.00 0.00 33.01 30.57 2bk3 s GLN 416 CO 0.08 -0.67 1.32 -2.30 -0.55 0.00 0.00 175.29 173.18 2bk3 n PRO 417 N 6.28 1.69 -3.78 1.67 -0.02 -1.26 -4.87 135.00 134.71 2bk3 n PRO 417 Ca 0.14 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 2bk3 n PRO 417 Cb 0.44 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 2bk3 n PRO 417 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bk3 s VAL 418 N -1.29 3.33 0.00 -1.45 1.01 -0.24 -4.97 120.40 116.79 2bk3 s VAL 418 Ca 0.70 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 60.12 2bk3 s VAL 418 Cb -0.43 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2bk3 s VAL 418 CO 0.50 -0.77 0.00 -0.67 0.00 0.00 0.00 175.10 174.16 2bk3 n ASP 419 N 3.98 0.00 -1.09 3.32 -0.08 -1.26 -1.36 116.55 120.06 2bk3 n ASP 419 Ca 0.03 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.39 2bk3 n ASP 419 Cb 0.39 0.00 0.26 0.00 2.34 0.00 0.00 41.12 44.11 2bk3 n ASP 419 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2bk3 n ARG 420 N 0.00 3.11 -3.55 -0.67 1.74 -1.26 -4.90 116.66 111.12 2bk3 n ARG 420 Ca 0.00 -2.53 -0.37 0.00 -0.77 0.00 0.00 57.85 54.18 2bk3 n ARG 420 Cb 0.00 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 29.76 2bk3 n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bk3 s ILE 421 N -1.51 5.29 0.17 0.55 1.01 -0.46 -1.38 121.20 124.87 2bk3 s ILE 421 Ca 0.39 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.45 2bk3 s ILE 421 Cb 0.24 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2bk3 s ILE 421 CO 0.21 0.29 0.05 -0.31 0.00 0.00 0.00 174.94 175.18 2bk3 s TYR 422 N 1.35 2.96 -0.20 3.97 1.51 0.30 -1.08 117.35 126.17 2bk3 s TYR 422 Ca 0.11 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 2bk3 s TYR 422 Cb -0.14 -1.42 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2bk3 s TYR 422 CO 0.07 0.52 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.82 2bk3 s PHE 423 N -1.76 2.88 0.00 2.71 0.40 -1.26 -0.89 117.98 120.05 2bk3 s PHE 423 Ca 0.29 -1.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.03 2bk3 s PHE 423 Cb -0.09 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.47 2bk3 s PHE 423 CO 0.21 -0.77 0.00 0.00 0.70 0.00 0.00 175.22 175.36 2bk3 n ALA 424 N 4.64 0.00 0.00 5.36 0.00 -0.07 -4.76 120.51 125.68 2bk3 n ALA 424 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2bk3 n ALA 424 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2bk3 n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bk3 n GLY 425 N 5.00 0.66 0.32 0.00 0.00 -1.26 -4.53 105.19 105.38 2bk3 n GLY 425 Ca 0.00 -1.51 0.15 0.00 0.00 0.00 0.00 46.02 44.66 2bk3 n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk3 h THR 426 N 0.00 0.73 0.00 2.61 1.03 -1.84 -0.62 112.91 114.82 2bk3 h THR 426 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2bk3 h THR 426 Cb 0.00 0.87 -0.00 0.00 -1.07 0.00 0.00 68.15 67.95 2bk3 h THR 426 CO 0.00 0.00 -0.01 -0.33 -0.01 0.00 0.00 175.52 175.17 2bk3 h GLU 427 N 0.00 0.00 -0.06 0.00 3.07 -1.89 -2.12 114.58 113.57 2bk3 h GLU 427 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2bk3 h GLU 427 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2bk3 h GLU 427 CO -0.00 0.01 0.00 0.25 -1.40 0.00 0.00 179.01 177.87 2bk3 n THR 428 N -3.24 0.06 -1.62 1.13 -2.24 -0.24 -4.95 114.28 103.17 2bk3 n THR 428 Ca -0.03 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 2bk3 n THR 428 Cb 0.10 0.94 0.08 0.00 -2.10 0.00 0.00 70.33 69.36 2bk3 n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk3 s ALA 429 N -1.94 2.37 -0.38 6.98 0.00 -0.80 -4.91 121.76 123.07 2bk3 s ALA 429 Ca 0.33 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.10 2bk3 s ALA 429 Cb 0.20 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2bk3 s ALA 429 CO 0.31 -1.62 0.39 0.25 0.00 0.00 0.00 175.76 175.09 2bk3 n THR 430 N -3.36 0.00 -3.70 0.00 -2.24 -1.26 -4.58 114.28 99.14 2bk3 n THR 430 Ca 0.07 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.22 2bk3 n THR 430 Cb 0.56 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.67 2bk3 n THR 430 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2bk3 s HIS 431 N -0.94 0.01 -1.41 4.78 5.65 -1.26 -4.74 115.29 117.38 2bk3 s HIS 431 Ca 0.03 0.28 -0.09 0.00 0.25 0.00 0.00 55.06 55.53 2bk3 s HIS 431 Cb 0.04 -0.37 0.06 0.00 -1.18 0.00 0.00 32.58 31.13 2bk3 s HIS 431 CO 0.12 -0.17 0.63 0.91 -0.65 0.00 0.00 174.74 175.58 2bk3 n TRP 432 N 4.95 -1.95 -1.65 3.88 7.02 -0.57 -3.99 117.44 125.13 2bk3 n TRP 432 Ca -0.11 0.58 -0.45 0.00 -1.02 0.00 0.00 57.50 56.50 2bk3 n TRP 432 Cb 0.50 -3.56 -0.02 0.00 -2.42 0.00 0.00 31.31 25.81 2bk3 n TRP 432 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2bk3 n SER 433 N -2.47 2.23 0.00 -0.99 2.88 -1.26 -1.93 113.62 112.08 2bk3 n SER 433 Ca -0.03 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2bk3 n SER 433 Cb 0.56 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2bk3 n SER 433 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bk3 n GLY 434 N 1.52 1.12 3.58 0.46 0.00 -1.23 -4.95 105.19 105.68 2bk3 n GLY 434 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2bk3 n GLY 434 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bk3 s TYR 435 N -2.28 2.46 0.32 1.61 1.51 -0.81 -4.73 117.35 115.43 2bk3 s TYR 435 Ca 0.00 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 2bk3 s TYR 435 Cb 0.00 -1.42 0.75 0.00 -0.11 0.00 0.00 41.96 41.18 2bk3 s TYR 435 CO 0.00 0.54 1.82 0.52 -1.11 0.00 0.00 175.55 177.32 2bk3 h MET 436 N 1.94 0.75 -0.40 -0.62 2.86 -1.90 -1.33 114.93 116.23 2bk3 h MET 436 Ca -0.42 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.23 2bk3 h MET 436 Cb 1.25 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 2bk3 h MET 436 CO 0.69 0.50 0.09 1.49 1.06 0.00 0.00 176.91 180.73 2bk3 h GLU 437 N 0.77 0.22 -0.65 1.72 4.57 -1.93 -2.14 114.58 117.14 2bk3 h GLU 437 Ca 0.52 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 2bk3 h GLU 437 Cb 0.80 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 2bk3 h GLU 437 CO -0.30 0.15 0.28 0.78 -1.18 0.00 0.00 179.01 178.74 2bk3 h GLY 438 N 0.23 1.02 0.47 1.92 0.00 -0.79 -1.60 103.07 104.32 2bk3 h GLY 438 Ca 0.19 -0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.08 2bk3 h GLY 438 CO -0.24 0.49 0.14 0.00 0.00 0.00 0.00 176.54 176.93 2bk3 h ALA 439 N 1.37 0.57 0.07 3.60 0.00 -0.88 -1.31 119.26 122.69 2bk3 h ALA 439 Ca 0.22 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2bk3 h ALA 439 Cb 0.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bk3 h ALA 439 CO -0.02 -0.26 -0.04 0.28 0.00 0.00 0.00 179.25 179.21 2bk3 h VAL 440 N 0.30 1.06 -0.62 0.00 2.07 -0.95 -1.14 116.25 116.97 2bk3 h VAL 440 Ca 0.24 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 67.41 2bk3 h VAL 440 Cb 0.28 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 2bk3 h VAL 440 CO -0.27 0.12 0.12 -0.08 0.02 0.00 0.00 177.57 177.48 2bk3 h GLU 441 N -0.31 0.24 -0.20 1.57 4.81 -1.17 -1.96 114.58 117.56 2bk3 h GLU 441 Ca -0.01 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 2bk3 h GLU 441 Cb 0.27 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.60 2bk3 h GLU 441 CO 0.02 0.16 -0.70 0.00 -0.73 0.00 0.00 179.01 177.75 2bk3 h ALA 442 N 1.50 0.37 -0.22 2.92 0.00 -1.12 -1.58 119.26 121.13 2bk3 h ALA 442 Ca 0.33 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2bk3 h ALA 442 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2bk3 h ALA 442 CO -0.43 0.68 0.08 0.78 0.00 0.00 0.00 179.25 180.36 2bk3 h GLY 443 N 0.61 0.35 1.24 0.00 0.00 -0.98 -1.05 103.07 103.25 2bk3 h GLY 443 Ca -0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 2bk3 h GLY 443 CO 0.15 0.19 -0.28 0.83 0.00 0.00 0.00 176.54 177.42 2bk3 h GLU 444 N 0.19 0.85 -0.46 4.80 5.08 -1.37 -1.50 114.58 122.18 2bk3 h GLU 444 Ca 0.07 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2bk3 h GLU 444 Cb 0.20 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2bk3 h GLU 444 CO -0.00 1.02 0.09 -0.09 -1.00 0.00 0.00 179.01 179.02 2bk3 h ARG 445 N 0.72 0.75 -0.75 2.33 2.43 -1.24 -1.46 114.38 117.16 2bk3 h ARG 445 Ca 0.09 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2bk3 h ARG 445 Cb 0.83 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 2bk3 h ARG 445 CO 0.07 0.76 0.23 0.00 -1.51 0.00 0.00 179.97 179.52 2bk3 h ALA 446 N 0.96 0.98 -0.68 2.80 0.00 -1.05 -0.90 119.26 121.37 2bk3 h ALA 446 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2bk3 h ALA 446 Cb 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2bk3 h ALA 446 CO 0.01 0.67 0.32 0.00 0.00 0.00 0.00 179.25 180.25 2bk3 h ALA 447 N 1.12 0.87 0.00 0.00 0.00 -1.11 -2.72 119.26 117.43 2bk3 h ALA 447 Ca 0.24 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2bk3 h ALA 447 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2bk3 h ALA 447 CO -0.01 0.44 -0.39 0.00 0.00 0.00 0.00 179.25 179.30 2bk3 h ARG 448 N 0.94 0.00 -0.68 0.00 3.08 -0.92 -1.31 114.38 115.48 2bk3 h ARG 448 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2bk3 h ARG 448 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2bk3 h ARG 448 CO -0.03 0.39 0.41 0.93 -1.07 0.00 0.00 179.97 180.60 2bk3 h GLU 449 N 0.00 0.93 -0.37 0.04 5.08 -0.88 0.06 114.58 119.44 2bk3 h GLU 449 Ca -0.00 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2bk3 h GLU 449 Cb 0.70 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2bk3 h GLU 449 CO 0.05 0.67 -0.19 0.82 -1.00 0.00 0.00 179.01 179.36 2bk3 h ILE 450 N 0.93 1.28 -0.94 3.13 2.04 -1.16 -0.79 117.51 122.00 2bk3 h ILE 450 Ca 0.24 -1.32 0.08 0.00 1.00 0.00 0.00 64.86 64.87 2bk3 h ILE 450 Cb -0.02 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2bk3 h ILE 450 CO -0.05 0.44 0.59 -0.07 0.00 0.00 0.00 178.15 179.06 2bk3 h LEU 451 N 0.57 0.91 -0.36 1.44 3.38 -1.01 -0.60 115.31 119.64 2bk3 h LEU 451 Ca 0.08 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2bk3 h LEU 451 Cb 0.74 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2bk3 h LEU 451 CO 0.06 0.55 0.05 -0.74 0.09 0.00 0.00 178.44 178.45 2bk3 h HIS 452 N 1.03 0.65 0.00 1.13 2.76 -0.79 -0.47 115.15 119.45 2bk3 h HIS 452 Ca 0.43 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 2bk3 h HIS 452 Cb 0.26 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 2bk3 h HIS 452 CO -0.02 0.67 -0.03 0.00 -1.30 0.00 0.00 177.93 177.25 2bk3 h ALA 453 N 0.90 1.90 -0.00 5.26 0.00 -0.52 -0.17 119.26 126.63 2bk3 h ALA 453 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bk3 h ALA 453 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bk3 h ALA 453 CO 0.01 0.04 -0.09 -1.33 0.00 0.00 0.00 179.25 177.88 2bk3 n MET 454 N -4.43 0.31 -0.91 0.00 2.00 -0.29 -4.94 117.12 108.87 2bk3 n MET 454 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.61 2bk3 n MET 454 Cb 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.84 2bk3 n MET 454 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2bk3 n GLY 455 N 1.38 0.53 0.12 3.03 0.00 -0.08 -4.96 105.19 105.21 2bk3 n GLY 455 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.93 2bk3 n GLY 455 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bk3 h LYS 456 N 1.02 0.00 -4.25 1.61 1.57 -1.29 -3.47 116.57 111.77 2bk3 h LYS 456 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2bk3 h LYS 456 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 2bk3 h LYS 456 CO 0.00 0.58 -0.70 0.96 -0.57 0.00 0.00 179.45 179.72 2bk3 s ILE 457 N -2.92 0.29 0.67 1.86 -4.36 -1.22 -4.99 121.20 110.53 2bk3 s ILE 457 Ca 0.03 -1.39 -0.12 0.00 -0.26 0.00 0.00 60.65 58.91 2bk3 s ILE 457 Cb 0.08 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.84 2bk3 s ILE 457 CO 0.76 -0.71 1.05 -2.16 0.24 0.00 0.00 174.94 174.12 2bk3 s PRO 458 N -2.67 3.08 0.38 0.37 0.04 -1.26 -4.36 135.00 130.58 2bk3 s PRO 458 Ca -0.03 0.98 0.14 0.00 0.04 0.00 0.00 61.00 62.12 2bk3 s PRO 458 Cb -0.02 -2.01 0.96 0.00 0.04 0.00 0.00 34.50 33.48 2bk3 s PRO 458 CO -0.04 -0.99 1.84 1.49 0.04 0.00 0.00 177.00 179.34 2bk3 h GLU 459 N -0.45 0.52 -1.41 4.56 4.81 -1.98 -0.94 114.58 119.69 2bk3 h GLU 459 Ca -0.44 -0.03 0.44 0.00 -0.13 0.00 0.00 59.36 59.20 2bk3 h GLU 459 Cb 1.21 -0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.36 2bk3 h GLU 459 CO 0.57 0.34 0.94 0.22 -0.73 0.00 0.00 179.01 180.36 2bk3 h ASP 460 N 0.53 0.19 -0.34 1.04 3.58 -1.97 -2.59 116.42 116.87 2bk3 h ASP 460 Ca 0.49 0.10 0.00 0.00 0.42 0.00 0.00 57.03 58.04 2bk3 h ASP 460 Cb 1.03 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2bk3 h ASP 460 CO -0.22 -0.12 0.00 -0.62 -2.88 0.00 0.00 179.24 175.39 2bk3 n GLU 461 N -4.52 2.31 0.01 0.28 1.02 -0.36 -4.44 120.64 114.94 2bk3 n GLU 461 Ca 0.37 -2.12 -0.12 0.00 -0.02 0.00 0.00 57.16 55.27 2bk3 n GLU 461 Cb 1.50 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 31.40 2bk3 n GLU 461 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bk3 h ILE 462 N 3.85 1.15 -3.70 -3.67 2.04 -1.59 -3.40 117.51 112.19 2bk3 h ILE 462 Ca 0.00 -0.45 -0.64 0.00 1.00 0.00 0.00 64.86 64.77 2bk3 h ILE 462 Cb 0.89 1.40 -0.18 0.00 -0.74 0.00 0.00 36.82 38.18 2bk3 h ILE 462 CO 0.00 0.12 -0.56 0.26 0.00 0.00 0.00 178.15 177.97 2bk3 s TRP 463 N -5.46 3.19 -0.05 1.37 0.52 -1.26 -4.62 118.94 112.63 2bk3 s TRP 463 Ca -0.14 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 55.97 2bk3 s TRP 463 Cb 0.05 -2.28 -0.00 0.00 -1.15 0.00 0.00 33.47 30.08 2bk3 s TRP 463 CO 0.67 -0.16 -0.18 -0.65 0.02 0.00 0.00 176.95 176.65 2bk3 s GLN 464 N 1.45 1.95 0.85 4.98 -0.21 -1.26 -5.05 119.66 122.37 2bk3 s GLN 464 Ca 0.06 -0.64 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 2bk3 s GLN 464 Cb -0.15 -1.66 0.10 0.00 1.00 0.00 0.00 33.01 32.30 2bk3 s GLN 464 CO 0.06 0.23 1.09 -1.54 -2.12 0.00 0.00 175.29 173.02 2bk3 s SER 465 N 0.10 3.88 -0.09 5.90 1.04 -1.26 -5.06 113.70 118.20 2bk3 s SER 465 Ca -0.06 1.60 0.02 0.00 0.48 0.00 0.00 55.95 58.00 2bk3 s SER 465 Cb -0.13 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2bk3 s SER 465 CO 0.03 -2.40 -0.16 -0.70 0.98 0.00 0.00 173.24 170.99 2bk3 s GLU 466 N -4.93 2.23 0.51 4.02 2.56 -1.26 -5.12 118.70 116.71 2bk3 s GLU 466 Ca 0.62 -0.58 -0.22 0.00 0.00 0.00 0.00 54.97 54.79 2bk3 s GLU 466 Cb -0.18 -1.83 -0.06 0.00 2.00 0.00 0.00 34.13 34.07 2bk3 s GLU 466 CO 0.57 0.02 1.30 -2.14 -0.56 0.00 0.00 175.26 174.44 2bk3 s PRO 467 N 0.75 3.39 0.29 4.30 0.02 -1.26 -4.95 135.00 137.55 2bk3 s PRO 467 Ca -0.12 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 62.70 2bk3 s PRO 467 Cb -0.16 -2.34 -0.10 0.00 0.02 0.00 0.00 34.50 31.92 2bk3 s PRO 467 CO 0.02 -0.94 1.37 -2.00 -0.33 0.00 0.00 177.00 175.12 2bk3 s GLU 468 N -2.80 4.31 0.27 5.54 2.12 -1.26 -4.89 118.70 121.99 2bk3 s GLU 468 Ca 0.68 2.26 -0.31 0.00 0.36 0.00 0.00 54.97 57.96 2bk3 s GLU 468 Cb -0.37 -3.09 -0.12 0.00 0.26 0.00 0.00 34.13 30.81 2bk3 s GLU 468 CO 0.44 -0.30 1.57 0.45 -0.54 0.00 0.00 175.26 176.88 2bk3 n SER 469 N 1.50 3.65 0.16 -1.70 2.88 -1.26 -4.90 113.62 113.94 2bk3 n SER 469 Ca 0.03 1.13 0.05 0.00 -1.33 0.00 0.00 58.87 58.76 2bk3 n SER 469 Cb 0.41 -1.56 0.10 0.00 -0.75 0.00 0.00 64.21 62.42 2bk3 n SER 469 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2bk3 h VAL 470 N 3.35 0.67 0.02 2.46 -1.51 -2.01 -3.31 116.25 115.92 2bk3 h VAL 470 Ca -0.46 -1.87 -0.25 0.00 -1.23 0.00 0.00 66.70 62.89 2bk3 h VAL 470 Cb 1.23 2.27 -0.03 0.00 -2.13 0.00 0.00 31.29 32.63 2bk3 h VAL 470 CO 0.81 0.37 -1.32 0.44 -1.23 0.00 0.00 177.57 176.63 2bk3 h ASP 471 N 0.00 0.05 -2.26 4.19 5.19 -2.02 -3.40 116.42 118.17 2bk3 h ASP 471 Ca -0.00 -0.07 -0.59 0.00 -0.62 0.00 0.00 57.03 55.75 2bk3 h ASP 471 Cb 1.24 -0.02 -0.40 0.00 0.18 0.00 0.00 39.33 40.33 2bk3 h ASP 471 CO 0.05 1.06 -0.82 0.52 -3.12 0.00 0.00 179.24 176.93 2bk3 n VAL 472 N -3.25 0.76 -2.46 -1.35 0.31 -1.25 -5.11 118.33 105.97 2bk3 n VAL 472 Ca -0.08 -4.54 -0.37 0.00 -0.01 0.00 0.00 64.34 59.34 2bk3 n VAL 472 Cb 0.99 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 2bk3 n VAL 472 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2bk3 s PRO 473 N -1.59 4.08 -0.15 5.55 0.04 -1.24 -4.53 135.00 137.16 2bk3 s PRO 473 Ca 0.35 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 2bk3 s PRO 473 Cb 0.12 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2bk3 s PRO 473 CO -0.09 -0.23 0.54 0.00 0.04 0.00 0.00 177.00 177.26 2bk3 s ALA 474 N -1.60 3.49 0.23 8.56 0.00 -1.26 -4.82 121.76 126.36 2bk3 s ALA 474 Ca 0.58 -0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.08 2bk3 s ALA 474 Cb -0.24 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 2bk3 s ALA 474 CO 0.30 -0.25 0.78 -0.65 0.00 0.00 0.00 175.76 175.94 2bk3 s GLN 475 N 1.20 4.40 0.66 0.00 -1.52 -1.26 -5.06 119.66 118.07 2bk3 s GLN 475 Ca 0.27 1.03 -0.16 0.00 -1.95 0.00 0.00 55.36 54.55 2bk3 s GLN 475 Cb -0.16 -2.95 -0.00 0.00 -0.22 0.00 0.00 33.01 29.68 2bk3 s GLN 475 CO 0.11 0.41 1.16 -1.25 -0.25 0.00 0.00 175.29 175.48 2bk3 s PRO 476 N -1.80 2.67 -0.17 2.91 0.04 -1.26 -4.99 135.00 132.40 2bk3 s PRO 476 Ca 0.43 1.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 2bk3 s PRO 476 Cb -0.19 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2bk3 s PRO 476 CO 0.23 -1.40 0.79 0.42 0.04 0.00 0.00 177.00 177.08 2bk3 s ILE 477 N -2.01 4.91 0.21 0.56 -1.09 -1.26 -5.06 121.20 117.46 2bk3 s ILE 477 Ca 0.72 1.55 0.11 0.00 -2.23 0.00 0.00 60.65 60.80 2bk3 s ILE 477 Cb -0.26 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 2bk3 s ILE 477 CO 0.39 0.04 -0.20 0.42 -1.23 0.00 0.00 174.94 174.37 2bk3 s THR 478 N 2.09 2.56 0.22 2.92 -4.23 -1.26 -5.16 115.64 112.79 2bk3 s THR 478 Ca 0.36 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.91 2bk3 s THR 478 Cb -0.16 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 2bk3 s THR 478 CO 0.12 -0.18 -0.13 0.42 -0.54 0.00 0.00 174.62 174.31 2bk3 s THR 479 N -1.87 1.74 0.42 3.99 -4.23 -1.26 -5.15 115.64 109.28 2bk3 s THR 479 Ca 0.24 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2bk3 s THR 479 Cb -0.07 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 2bk3 s THR 479 CO 0.12 -0.54 0.64 0.42 -0.54 0.00 0.00 174.62 174.72 2bk3 s THR 480 N -2.97 4.22 0.20 3.99 -4.23 -1.26 -4.98 115.64 110.61 2bk3 s THR 480 Ca 0.24 -0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 60.13 2bk3 s THR 480 Cb -0.00 -3.55 0.12 0.00 1.34 0.00 0.00 72.50 70.41 2bk3 s THR 480 CO 0.08 -0.37 1.76 0.15 -0.54 0.00 0.00 174.62 175.70 2bk3 h PHE 481 N 0.49 0.45 -0.54 3.99 3.57 -2.02 -2.04 116.94 120.84 2bk3 h PHE 481 Ca -0.47 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 2bk3 h PHE 481 Cb 1.25 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2bk3 h PHE 481 CO 0.46 0.16 0.03 -0.07 -2.23 0.00 0.00 178.31 176.67 2bk3 h LEU 482 N 0.46 0.92 -0.99 0.59 3.38 -1.97 -2.13 115.31 115.57 2bk3 h LEU 482 Ca 0.28 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2bk3 h LEU 482 Cb 0.28 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2bk3 h LEU 482 CO -0.25 0.98 0.65 -0.33 0.09 0.00 0.00 178.44 179.58 2bk3 h GLU 483 N 0.82 1.19 -0.21 1.13 5.08 -1.89 0.33 114.58 121.03 2bk3 h GLU 483 Ca 0.16 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2bk3 h GLU 483 Cb 0.49 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2bk3 h GLU 483 CO 0.02 0.79 -0.52 0.00 -1.00 0.00 0.00 179.01 178.30 2bk3 h ARG 484 N 1.22 0.60 0.00 2.33 3.08 -1.20 -3.39 114.38 117.03 2bk3 h ARG 484 Ca 0.41 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2bk3 h ARG 484 Cb 0.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2bk3 h ARG 484 CO -0.14 0.97 -0.76 0.72 -1.07 0.00 0.00 179.97 179.69 2bk3 n HIS 485 N -3.98 0.00 -1.75 3.04 8.25 -0.82 -5.00 115.22 114.97 2bk3 n HIS 485 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 2bk3 n HIS 485 Cb 0.59 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 2bk3 n HIS 485 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bk3 n LEU 486 N -1.42 4.35 -4.78 2.41 4.77 0.08 -4.95 117.00 117.47 2bk3 n LEU 486 Ca 0.00 1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 56.84 2bk3 n LEU 486 Cb 0.14 -1.58 0.06 0.00 -2.33 0.00 0.00 43.42 39.70 2bk3 n LEU 486 CO 0.14 0.04 0.73 -2.16 -1.33 0.00 0.00 177.39 174.81 2bk3 s PRO 487 N -1.25 2.71 1.15 3.23 0.04 -1.26 -4.96 135.00 134.65 2bk3 s PRO 487 Ca 0.59 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.75 2bk3 s PRO 487 Cb -0.51 -1.95 0.26 0.00 0.04 0.00 0.00 34.50 32.35 2bk3 s PRO 487 CO 0.56 -1.31 1.09 -1.54 0.04 0.00 0.00 177.00 175.84 2bk3 s SER 488 N -2.89 1.34 0.05 6.66 1.04 -1.26 -4.79 113.70 113.84 2bk3 s SER 488 Ca 0.64 0.86 -0.26 0.00 0.48 0.00 0.00 55.95 57.68 2bk3 s SER 488 Cb -0.19 -1.28 -0.17 0.00 0.10 0.00 0.00 66.02 64.49 2bk3 s SER 488 CO 0.46 -3.89 1.52 0.58 0.98 0.00 0.00 173.24 172.89 2bk3 h VAL 489 N -2.42 0.88 0.00 5.02 2.07 -1.91 -0.64 116.25 119.26 2bk3 h VAL 489 Ca -0.49 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2bk3 h VAL 489 Cb 1.31 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2bk3 h VAL 489 CO 0.43 0.08 -0.02 1.55 0.02 0.00 0.00 177.57 179.62 2bk3 h PRO 490 N -0.42 0.00 -0.50 1.57 0.13 -1.97 -1.77 132.00 129.04 2bk3 h PRO 490 Ca -0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 2bk3 h PRO 490 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2bk3 h PRO 490 CO 0.04 0.02 -0.14 0.78 -0.23 0.00 0.00 178.00 178.48 2bk3 h GLY 491 N 0.06 1.05 1.37 1.56 0.00 -1.87 -2.29 103.07 102.94 2bk3 h GLY 491 Ca -0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.35 2bk3 h GLY 491 CO 0.00 0.80 -0.18 -2.00 0.00 0.00 0.00 176.54 175.17 2bk3 h LEU 492 N 0.82 0.74 -1.20 3.11 5.85 -0.64 -2.47 115.31 121.53 2bk3 h LEU 492 Ca 0.12 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 2bk3 h LEU 492 Cb 0.70 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2bk3 h LEU 492 CO 0.05 0.92 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.80 2bk3 h LEU 493 N 0.66 0.30 -0.39 2.25 3.38 -1.18 -1.11 115.31 119.21 2bk3 h LEU 493 Ca 0.10 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 2bk3 h LEU 493 Cb 0.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2bk3 h LEU 493 CO 0.05 0.51 -0.77 0.03 0.09 0.00 0.00 178.44 178.35 2bk3 h ARG 494 N 0.28 0.31 0.00 1.13 3.08 -1.32 -2.97 114.38 114.89 2bk3 h ARG 494 Ca 0.05 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 2bk3 h ARG 494 Cb 0.52 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2bk3 h ARG 494 CO 0.03 0.94 -0.28 1.25 -1.07 0.00 0.00 179.97 180.84 2bk3 h LEU 495 N 0.20 0.00 0.00 3.04 5.85 -1.08 -3.52 115.31 119.80 2bk3 h LEU 495 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2bk3 h LEU 495 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2bk3 h LEU 495 CO 0.13 0.28 0.00 -0.38 -0.34 0.00 0.00 178.44 178.13