#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bk4 s LYS 4 N 0.00 3.74 0.37 1.20 1.02 -1.26 0.36 119.74 125.17 2bk4 s LYS 4 Ca 0.00 -0.24 -0.13 0.00 0.02 0.00 0.00 55.97 55.62 2bk4 s LYS 4 Cb 0.00 -3.21 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2bk4 s LYS 4 CO 0.00 0.50 0.71 0.00 -0.92 0.00 0.00 175.35 175.65 2bk4 h ASP 6 N 2.02 0.14 -3.49 0.00 3.32 -1.33 -3.27 116.42 113.83 2bk4 h ASP 6 Ca -0.31 -0.92 -0.34 0.00 0.02 0.00 0.00 57.03 55.48 2bk4 h ASP 6 Cb 1.25 -0.05 -0.34 0.00 0.22 0.00 0.00 39.33 40.41 2bk4 h ASP 6 CO 0.40 1.06 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.54 2bk4 s VAL 7 N -2.53 0.14 -0.18 -1.35 1.01 -1.04 -1.45 120.40 114.99 2bk4 s VAL 7 Ca -0.17 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 2bk4 s VAL 7 Cb -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2bk4 s VAL 7 CO 0.73 0.14 0.31 -0.69 0.00 0.00 0.00 175.10 175.59 2bk4 s VAL 8 N 1.08 5.28 -0.24 2.92 1.01 -0.94 -1.90 120.40 127.61 2bk4 s VAL 8 Ca -0.09 0.55 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 2bk4 s VAL 8 Cb -0.13 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2bk4 s VAL 8 CO -0.02 0.34 0.07 -0.69 0.00 0.00 0.00 175.10 174.80 2bk4 s VAL 9 N 0.81 4.38 -0.45 2.92 1.01 0.37 -1.00 120.40 128.44 2bk4 s VAL 9 Ca 0.16 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 2bk4 s VAL 9 Cb -0.14 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2bk4 s VAL 9 CO 0.05 0.35 0.62 -0.69 0.00 0.00 0.00 175.10 175.43 2bk4 s VAL 10 N 1.49 4.86 0.00 2.92 1.01 0.52 -0.78 120.40 130.43 2bk4 s VAL 10 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2bk4 s VAL 10 Cb -0.15 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2bk4 s VAL 10 CO 0.04 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.12 2bk4 n GLY 11 N 5.07 2.50 2.18 4.51 0.00 0.07 -0.74 105.19 118.77 2bk4 n GLY 11 Ca -0.03 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2bk4 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 12 N 1.58 6.10 1.40 -0.02 0.00 -1.26 -4.09 105.19 108.90 2bk4 n GLY 12 Ca 0.00 -2.46 -0.10 0.00 0.00 0.00 0.00 46.02 43.46 2bk4 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 13 N -0.83 -0.94 0.37 -0.02 0.00 -1.26 -1.14 105.19 101.37 2bk4 n GLY 13 Ca 0.54 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.89 2bk4 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk4 h ILE 14 N -1.14 0.96 0.09 -0.61 2.04 -1.94 -0.29 117.51 116.62 2bk4 h ILE 14 Ca -0.15 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2bk4 h ILE 14 Cb 0.43 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2bk4 h ILE 14 CO 0.11 0.18 -0.04 -1.28 0.00 0.00 0.00 178.15 177.12 2bk4 h SER 15 N 1.00 -0.10 -0.67 1.72 0.87 -1.90 0.59 113.55 115.04 2bk4 h SER 15 Ca 0.46 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2bk4 h SER 15 Cb 0.41 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 2bk4 h SER 15 CO -0.22 0.24 0.45 1.23 -0.53 0.00 0.00 176.83 177.99 2bk4 h GLY 16 N -0.46 0.95 0.97 5.77 0.00 -1.67 -1.34 103.07 107.29 2bk4 h GLY 16 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 2bk4 h GLY 16 CO 0.02 0.34 0.11 -0.33 0.00 0.00 0.00 176.54 176.68 2bk4 h MET 17 N 0.91 0.79 -0.89 4.80 2.07 -1.00 -0.10 114.93 121.51 2bk4 h MET 17 Ca 0.25 -0.20 -0.01 0.00 -2.07 0.00 0.00 59.70 57.67 2bk4 h MET 17 Cb -0.10 -0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 29.48 2bk4 h MET 17 CO -0.05 0.77 0.51 0.00 1.07 0.00 0.00 176.91 179.21 2bk4 h ALA 18 N 0.98 1.23 -0.12 6.32 0.00 -0.73 -0.62 119.26 126.32 2bk4 h ALA 18 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bk4 h ALA 18 Cb 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bk4 h ALA 18 CO 0.00 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.91 2bk4 h ALA 19 N 1.33 0.17 -0.84 0.00 0.00 -0.99 -2.45 119.26 116.48 2bk4 h ALA 19 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2bk4 h ALA 19 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2bk4 h ALA 19 CO -0.06 -0.16 0.48 0.00 0.00 0.00 0.00 179.25 179.51 2bk4 h ALA 20 N 0.78 1.07 -0.41 0.00 0.00 -0.83 -1.94 119.26 117.92 2bk4 h ALA 20 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2bk4 h ALA 20 Cb 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bk4 h ALA 20 CO 0.00 0.55 0.17 -0.22 0.00 0.00 0.00 179.25 179.76 2bk4 h LYS 21 N 1.15 0.61 -0.22 0.00 3.64 -1.08 0.20 116.57 120.87 2bk4 h LYS 21 Ca 0.30 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2bk4 h LYS 21 Cb -0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2bk4 h LYS 21 CO -0.05 0.56 0.13 1.25 -2.27 0.00 0.00 179.45 179.07 2bk4 h LEU 22 N 0.52 0.27 -0.57 5.20 6.46 -1.16 0.56 115.31 126.60 2bk4 h LEU 22 Ca 0.14 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2bk4 h LEU 22 Cb 0.17 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 2bk4 h LEU 22 CO -0.01 0.26 0.26 -0.07 -0.62 0.00 0.00 178.44 178.26 2bk4 h LEU 23 N 0.26 0.75 -0.38 2.25 3.38 -1.26 -1.61 115.31 118.71 2bk4 h LEU 23 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2bk4 h LEU 23 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2bk4 h LEU 23 CO -0.01 0.68 0.25 -0.74 0.09 0.00 0.00 178.44 178.71 2bk4 h HIS 24 N 0.77 0.49 0.00 1.13 2.76 -0.77 -1.85 115.15 117.68 2bk4 h HIS 24 Ca 0.19 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 2bk4 h HIS 24 Cb 0.14 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2bk4 h HIS 24 CO 0.00 0.32 -0.16 -0.44 -1.30 0.00 0.00 177.93 176.35 2bk4 h ASP 25 N 0.51 0.00 0.70 3.26 3.32 -0.70 -1.50 116.42 122.01 2bk4 h ASP 25 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2bk4 h ASP 25 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2bk4 h ASP 25 CO -0.03 0.16 -0.02 -1.20 -1.72 0.00 0.00 179.24 176.42 2bk4 n SER 26 N -4.05 0.05 0.00 6.45 7.64 -0.62 -4.92 113.62 118.17 2bk4 n SER 26 Ca -0.02 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2bk4 n SER 26 Cb 0.24 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2bk4 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk4 n GLY 27 N 1.36 0.98 3.90 0.23 0.00 -0.57 -5.08 105.19 106.02 2bk4 n GLY 27 Ca 0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2bk4 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk4 s LEU 28 N 0.00 4.00 -0.41 0.99 1.43 -0.75 -5.02 118.68 118.93 2bk4 s LEU 28 Ca 0.00 0.82 -0.24 0.00 -1.03 0.00 0.00 54.13 53.68 2bk4 s LEU 28 Cb 0.00 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.59 2bk4 s LEU 28 CO 0.00 -0.24 0.84 0.20 0.23 0.00 0.00 176.35 177.38 2bk4 s ASN 29 N -3.15 6.52 0.10 2.29 0.01 -1.26 -4.25 114.94 115.20 2bk4 s ASN 29 Ca 0.46 0.20 0.08 0.00 -0.71 0.00 0.00 52.86 52.89 2bk4 s ASN 29 Cb -0.11 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 2bk4 s ASN 29 CO 0.30 -0.88 -0.14 0.68 -1.51 0.00 0.00 177.10 175.55 2bk4 s VAL 30 N 3.37 3.08 -0.03 1.60 -7.23 -1.26 -0.96 120.40 118.98 2bk4 s VAL 30 Ca 0.33 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2bk4 s VAL 30 Cb -0.12 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2bk4 s VAL 30 CO 0.21 0.14 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.29 2bk4 s VAL 31 N -1.15 1.33 -0.22 1.32 1.01 -0.80 -4.82 120.40 117.07 2bk4 s VAL 31 Ca 0.19 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2bk4 s VAL 31 Cb -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2bk4 s VAL 31 CO 0.11 0.38 0.03 -0.69 0.00 0.00 0.00 175.10 174.93 2bk4 s VAL 32 N -0.17 4.11 -0.34 2.92 1.01 -0.17 -0.48 120.40 127.28 2bk4 s VAL 32 Ca 0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2bk4 s VAL 32 Cb -0.09 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2bk4 s VAL 32 CO 0.01 0.39 0.20 -0.76 0.00 0.00 0.00 175.10 174.93 2bk4 s LEU 33 N 1.29 4.47 -0.14 3.92 1.43 0.04 -0.34 118.68 129.35 2bk4 s LEU 33 Ca 0.04 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2bk4 s LEU 33 Cb -0.15 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 2bk4 s LEU 33 CO 0.02 -0.28 -0.18 -0.70 0.23 0.00 0.00 176.35 175.44 2bk4 s GLU 34 N 1.62 3.17 0.23 1.70 2.56 -0.43 -0.75 118.70 126.79 2bk4 s GLU 34 Ca 0.04 -0.78 -0.08 0.00 0.00 0.00 0.00 54.97 54.15 2bk4 s GLU 34 Cb -0.18 -2.54 0.20 0.00 2.00 0.00 0.00 34.13 33.61 2bk4 s GLU 34 CO 0.08 0.06 1.89 0.00 -0.56 0.00 0.00 175.26 176.72 2bk4 h ALA 35 N 7.16 1.10 -2.36 6.30 0.00 -1.85 0.11 119.26 129.72 2bk4 h ALA 35 Ca -0.30 -0.08 -0.46 0.00 0.00 0.00 0.00 54.91 54.07 2bk4 h ALA 35 Cb 1.20 -0.35 0.08 0.00 0.00 0.00 0.00 17.79 18.72 2bk4 h ALA 35 CO 0.55 0.53 0.26 1.03 0.00 0.00 0.00 179.25 181.62 2bk4 s ARG 36 N -6.05 2.19 -0.01 0.00 0.52 -1.26 -3.71 118.95 110.63 2bk4 s ARG 36 Ca -0.13 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 54.92 2bk4 s ARG 36 Cb 0.16 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.55 2bk4 s ARG 36 CO 0.80 -1.28 0.82 -0.40 0.02 0.00 0.00 175.30 175.26 2bk4 n ASP 37 N -2.98 0.76 -3.71 0.23 5.68 -1.26 -0.97 116.55 114.31 2bk4 n ASP 37 Ca 0.08 -2.03 -0.10 0.00 -0.50 0.00 0.00 54.79 52.24 2bk4 n ASP 37 Cb 0.60 -0.26 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 2bk4 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bk4 s ARG 38 N -1.54 0.99 0.55 0.11 1.70 -1.26 -4.94 118.95 114.56 2bk4 s ARG 38 Ca 0.03 -0.77 0.02 0.00 -0.47 0.00 0.00 55.73 54.55 2bk4 s ARG 38 Cb 0.02 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2bk4 s ARG 38 CO 0.02 -0.36 0.77 0.14 -1.08 0.00 0.00 175.30 174.79 2bk4 s VAL 39 N -3.74 2.64 0.00 4.99 -7.23 -1.26 -4.76 120.40 111.04 2bk4 s VAL 39 Ca 0.03 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 2bk4 s VAL 39 Cb 0.03 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.03 2bk4 s VAL 39 CO -0.11 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 2bk4 n GLY 40 N -2.33 1.53 7.00 2.32 0.00 -0.30 -4.88 105.19 108.53 2bk4 n GLY 40 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2bk4 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 41 N 0.00 1.90 0.00 -0.02 0.00 -1.26 -0.99 105.19 104.81 2bk4 n GLY 41 Ca 0.00 0.36 0.15 0.00 0.00 0.00 0.00 46.02 46.53 2bk4 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk4 n ARG 42 N 2.67 0.80 -4.10 1.61 1.74 -1.26 -4.54 116.66 113.58 2bk4 n ARG 42 Ca 0.00 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2bk4 n ARG 42 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 2bk4 n ARG 42 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bk4 s THR 43 N -2.14 4.97 -0.27 0.55 -4.23 -0.17 -1.40 115.64 112.95 2bk4 s THR 43 Ca 0.40 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 2bk4 s THR 43 Cb 0.20 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 71.04 2bk4 s THR 43 CO 0.36 0.61 0.55 -0.47 -0.54 0.00 0.00 174.62 175.13 2bk4 s TYR 44 N -0.94 -1.20 -0.37 3.99 5.04 -1.26 -4.56 117.35 118.05 2bk4 s TYR 44 Ca 0.14 1.82 -0.11 0.00 -2.44 0.00 0.00 57.07 56.49 2bk4 s TYR 44 Cb -0.12 0.54 0.03 0.00 0.35 0.00 0.00 41.96 42.76 2bk4 s TYR 44 CO 0.03 -0.67 0.20 0.99 -1.34 0.00 0.00 175.55 174.76 2bk4 s THR 45 N 2.78 4.51 0.11 4.34 2.01 -1.26 -0.54 115.64 127.58 2bk4 s THR 45 Ca 0.03 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 2bk4 s THR 45 Cb -0.13 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 2bk4 s THR 45 CO -0.17 -0.23 0.90 -0.22 -0.69 0.00 0.00 174.62 174.21 2bk4 s LEU 46 N 1.54 4.50 -0.11 4.42 2.96 0.02 -4.85 118.68 127.16 2bk4 s LEU 46 Ca 0.02 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 2bk4 s LEU 46 Cb -0.19 -3.49 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2bk4 s LEU 46 CO 0.06 -0.01 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.76 2bk4 s ARG 47 N -0.18 2.67 0.31 1.98 0.52 -1.26 -0.79 118.95 122.20 2bk4 s ARG 47 Ca 0.44 -0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 54.77 2bk4 s ARG 47 Cb -0.23 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.11 2bk4 s ARG 47 CO 0.28 0.02 0.62 0.54 0.02 0.00 0.00 175.30 176.78 2bk4 s ASN 48 N 0.74 0.04 0.34 0.23 2.20 -1.16 -5.01 114.94 112.32 2bk4 s ASN 48 Ca -0.10 -0.98 0.15 0.00 -0.94 0.00 0.00 52.86 50.98 2bk4 s ASN 48 Cb -0.16 0.70 0.59 0.00 -2.00 0.00 0.00 41.25 40.38 2bk4 s ASN 48 CO 0.01 -1.36 1.72 -0.61 -2.94 0.00 0.00 177.10 173.92 2bk4 h GLN 49 N 2.10 0.00 -0.08 3.55 -0.00 -2.00 0.15 115.11 118.82 2bk4 h GLN 49 Ca -0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.24 2bk4 h GLN 49 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.72 2bk4 h GLN 49 CO 0.34 0.46 -0.62 0.87 0.00 0.00 0.00 178.83 179.88 2bk4 h LYS 50 N 0.00 0.30 0.00 1.69 1.79 -2.02 -3.34 116.57 114.99 2bk4 h LYS 50 Ca -0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2bk4 h LYS 50 Cb 0.91 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2bk4 h LYS 50 CO 0.06 0.83 -0.57 1.33 -1.08 0.00 0.00 179.45 180.01 2bk4 n VAL 51 N -3.87 0.00 0.00 0.50 0.24 -1.17 -4.99 118.33 109.04 2bk4 n VAL 51 Ca -0.03 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2bk4 n VAL 51 Cb 0.63 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 2bk4 n VAL 51 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2bk4 n LYS 52 N -1.31 0.00 -3.91 7.34 4.81 0.51 -4.60 118.16 121.01 2bk4 n LYS 52 Ca 0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 2bk4 n LYS 52 Cb 0.15 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.10 2bk4 n LYS 52 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2bk4 s TYR 53 N 0.00 0.15 -0.22 5.64 -0.85 -1.26 -2.98 117.35 117.84 2bk4 s TYR 53 Ca 0.00 -0.41 -0.14 0.00 -0.52 0.00 0.00 57.07 56.01 2bk4 s TYR 53 Cb 0.00 -0.11 0.06 0.00 0.38 0.00 0.00 41.96 42.30 2bk4 s TYR 53 CO 0.00 -0.36 0.54 0.54 -1.52 0.00 0.00 175.55 174.75 2bk4 s VAL 54 N -2.38 -0.01 -0.14 -3.49 0.11 0.03 -4.98 120.40 109.54 2bk4 s VAL 54 Ca -0.07 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 2bk4 s VAL 54 Cb -0.02 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2bk4 s VAL 54 CO -0.03 0.02 1.29 -1.81 -3.33 0.00 0.00 175.10 171.24 2bk4 s ASP 55 N 1.25 6.93 -0.01 3.54 1.01 -1.26 -0.80 116.67 127.33 2bk4 s ASP 55 Ca -0.08 1.76 0.21 0.00 0.71 0.00 0.00 52.55 55.15 2bk4 s ASP 55 Cb -0.06 -2.54 -0.26 0.00 1.01 0.00 0.00 42.92 41.07 2bk4 s ASP 55 CO -0.12 -0.76 0.77 0.18 0.21 0.00 0.00 175.17 175.45 2bk4 n LEU 56 N 6.47 0.72 0.00 1.23 4.77 0.29 -4.96 117.00 125.52 2bk4 n LEU 56 Ca 0.14 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2bk4 n LEU 56 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2bk4 n LEU 56 CO 0.56 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2bk4 n GLY 57 N 1.43 4.13 3.64 -0.72 0.00 -1.23 -4.75 105.19 107.69 2bk4 n GLY 57 Ca 0.02 -1.26 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 2bk4 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 58 N 5.00 0.22 1.72 -0.02 0.00 -0.50 -4.86 105.19 106.74 2bk4 n GLY 58 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2bk4 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bk4 n SER 59 N 1.13 0.00 -4.76 1.61 2.88 -1.26 -4.68 113.62 108.55 2bk4 n SER 59 Ca 0.08 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.22 2bk4 n SER 59 Cb 0.33 0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 2bk4 n SER 59 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2bk4 s TYR 60 N -1.86 3.95 0.17 0.66 1.51 -1.26 -4.23 117.35 116.29 2bk4 s TYR 60 Ca 0.00 1.83 0.04 0.00 -1.01 0.00 0.00 57.07 57.93 2bk4 s TYR 60 Cb 0.00 -2.92 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 2bk4 s TYR 60 CO 0.00 0.47 -0.07 0.14 -1.11 0.00 0.00 175.55 174.97 2bk4 s VAL 61 N -1.19 1.09 0.30 0.71 -7.23 0.18 -4.89 120.40 109.37 2bk4 s VAL 61 Ca 0.40 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 2bk4 s VAL 61 Cb -0.25 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.77 2bk4 s VAL 61 CO 0.30 -0.63 0.72 0.61 -0.31 0.00 0.00 175.10 175.79 2bk4 n GLY 62 N -0.25 1.03 3.64 2.32 0.00 -1.26 -0.98 105.19 109.70 2bk4 n GLY 62 Ca -0.09 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2bk4 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bk4 n PRO 63 N -0.49 1.61 -0.21 1.61 -0.04 -1.26 -1.87 135.00 134.35 2bk4 n PRO 63 Ca -0.06 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2bk4 n PRO 63 Cb 0.51 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2bk4 n PRO 63 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bk4 n THR 64 N -0.11 0.00 -2.33 0.52 -2.24 -1.26 -4.80 114.28 104.06 2bk4 n THR 64 Ca 0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 2bk4 n THR 64 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2bk4 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk4 n GLN 65 N -2.00 4.29 0.15 -0.78 6.02 -0.78 -4.80 117.38 119.48 2bk4 n GLN 65 Ca 0.00 -3.76 0.03 0.00 -0.01 0.00 0.00 57.00 53.26 2bk4 n GLN 65 Cb 0.00 -2.71 0.16 0.00 1.02 0.00 0.00 30.24 28.70 2bk4 n GLN 65 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2bk4 h ASN 66 N 5.12 0.00 -0.01 1.08 2.35 -1.90 -3.02 115.58 119.20 2bk4 h ASN 66 Ca 0.49 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.24 2bk4 h ASN 66 Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 2bk4 h ASN 66 CO 1.49 0.50 -0.01 0.03 -1.65 0.00 0.00 177.43 177.79 2bk4 h ARG 67 N 0.00 0.03 -0.48 0.81 3.08 -1.90 -1.28 114.38 114.63 2bk4 h ARG 67 Ca -0.01 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2bk4 h ARG 67 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 2bk4 h ARG 67 CO 0.07 0.49 0.08 0.97 -1.07 0.00 0.00 179.97 180.51 2bk4 h ILE 68 N -0.44 1.22 -0.53 2.04 6.09 -1.83 -0.86 117.51 123.20 2bk4 h ILE 68 Ca 0.00 -0.83 -0.07 0.00 -1.37 0.00 0.00 64.86 62.59 2bk4 h ILE 68 Cb 0.49 0.76 -0.02 0.00 0.47 0.00 0.00 36.82 38.52 2bk4 h ILE 68 CO 0.00 0.30 0.05 -0.07 -3.07 0.00 0.00 178.15 175.37 2bk4 h LEU 69 N 0.72 0.87 -0.20 2.19 3.38 -1.53 -1.23 115.31 119.50 2bk4 h LEU 69 Ca 0.16 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2bk4 h LEU 69 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2bk4 h LEU 69 CO 0.00 0.93 -0.07 -0.09 0.09 0.00 0.00 178.44 179.30 2bk4 h ARG 70 N 0.78 0.41 -0.27 1.13 1.12 -0.97 -1.64 114.38 114.95 2bk4 h ARG 70 Ca 0.16 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2bk4 h ARG 70 Cb 0.45 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 2bk4 h ARG 70 CO 0.02 0.68 0.17 1.25 -3.11 0.00 0.00 179.97 178.97 2bk4 h LEU 71 N 0.12 0.29 -0.57 3.80 5.85 -1.13 -1.52 115.31 122.14 2bk4 h LEU 71 Ca 0.05 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2bk4 h LEU 71 Cb 0.54 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2bk4 h LEU 71 CO 0.02 0.21 0.19 0.00 -0.34 0.00 0.00 178.44 178.52 2bk4 h ALA 72 N 1.10 0.75 -0.64 1.25 0.00 -1.23 -2.12 119.26 118.37 2bk4 h ALA 72 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2bk4 h ALA 72 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2bk4 h ALA 72 CO -0.03 0.40 0.39 -0.22 0.00 0.00 0.00 179.25 179.79 2bk4 h LYS 73 N 0.80 0.88 -0.34 0.00 3.64 -1.16 -0.80 116.57 119.59 2bk4 h LYS 73 Ca 0.19 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2bk4 h LYS 73 Cb 0.27 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2bk4 h LYS 73 CO -0.01 0.63 0.17 1.49 -2.27 0.00 0.00 179.45 179.47 2bk4 h GLU 74 N 0.87 0.45 0.00 1.90 4.81 -1.08 -1.52 114.58 120.02 2bk4 h GLU 74 Ca 0.23 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2bk4 h GLU 74 Cb -0.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2bk4 h GLU 74 CO -0.04 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.86 2bk4 n LEU 75 N -4.44 0.00 0.00 1.64 4.77 -0.79 -4.90 117.00 113.28 2bk4 n LEU 75 Ca 0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2bk4 n LEU 75 Cb 0.10 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2bk4 n LEU 75 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2bk4 n GLY 76 N 1.08 0.73 3.93 -0.72 0.00 -0.57 -5.06 105.19 104.59 2bk4 n GLY 76 Ca 0.21 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 2bk4 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk4 s LEU 77 N 0.00 4.15 0.15 0.99 1.43 -0.37 -5.01 118.68 120.03 2bk4 s LEU 77 Ca 0.00 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2bk4 s LEU 77 Cb 0.00 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2bk4 s LEU 77 CO 0.00 -0.14 -0.14 -1.61 0.23 0.00 0.00 176.35 174.69 2bk4 s GLU 78 N -3.69 1.14 0.30 1.70 2.02 -1.26 -4.20 118.70 114.71 2bk4 s GLU 78 Ca 0.39 -1.38 0.08 0.00 0.02 0.00 0.00 54.97 54.08 2bk4 s GLU 78 Cb -0.10 -1.00 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 2bk4 s GLU 78 CO 0.31 0.18 0.21 0.95 0.02 0.00 0.00 175.26 176.94 2bk4 s THR 79 N -2.46 3.83 0.09 3.63 -4.23 -1.26 -0.71 115.64 114.53 2bk4 s THR 79 Ca 0.14 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2bk4 s THR 79 Cb -0.03 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 2bk4 s THR 79 CO 0.04 -0.26 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.10 2bk4 s TYR 80 N -2.25 0.77 -0.03 3.99 -0.85 -0.17 -4.78 117.35 114.02 2bk4 s TYR 80 Ca 0.37 -0.99 -0.26 0.00 -0.52 0.00 0.00 57.07 55.67 2bk4 s TYR 80 Cb -0.06 -0.48 -0.04 0.00 0.38 0.00 0.00 41.96 41.76 2bk4 s TYR 80 CO 0.25 -0.25 0.81 0.15 -1.52 0.00 0.00 175.55 174.99 2bk4 s LYS 81 N -3.88 4.49 0.34 -3.49 1.02 -1.26 -1.63 119.74 115.33 2bk4 s LYS 81 Ca 0.11 1.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 2bk4 s LYS 81 Cb 0.06 -3.45 -0.11 0.00 -0.52 0.00 0.00 37.83 33.82 2bk4 s LYS 81 CO -0.06 0.04 1.53 0.08 -0.92 0.00 0.00 175.35 176.02 2bk4 s VAL 82 N 0.81 2.08 -0.11 3.17 1.01 -0.01 -4.90 120.40 122.45 2bk4 s VAL 82 Ca 0.43 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 2bk4 s VAL 82 Cb -0.19 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2bk4 s VAL 82 CO 0.22 0.01 1.99 0.21 0.00 0.00 0.00 175.10 177.53 2bk4 s ASN 83 N 0.13 6.06 -0.05 3.32 2.47 -1.26 -4.83 114.94 120.78 2bk4 s ASN 83 Ca 0.57 2.16 0.23 0.00 0.42 0.00 0.00 52.86 56.24 2bk4 s ASN 83 Cb -0.47 -2.52 0.43 0.00 -1.45 0.00 0.00 41.25 37.24 2bk4 s ASN 83 CO 0.56 -1.44 1.18 1.21 -3.72 0.00 0.00 177.10 174.89 2bk4 n GLU 84 N 8.02 0.38 -0.03 0.43 2.13 -1.26 -4.71 120.64 125.61 2bk4 n GLU 84 Ca 0.23 -2.31 -0.13 0.00 0.66 0.00 0.00 57.16 55.61 2bk4 n GLU 84 Cb 0.43 -0.37 -0.08 0.00 0.27 0.00 0.00 31.44 31.69 2bk4 n GLU 84 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bk4 h VAL 85 N 5.84 1.36 -2.94 6.31 2.07 -1.92 -3.46 116.25 123.50 2bk4 h VAL 85 Ca -0.18 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2bk4 h VAL 85 Cb 1.71 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2bk4 h VAL 85 CO 0.09 0.33 0.00 -0.62 0.02 0.00 0.00 177.57 177.39 2bk4 n GLU 86 N -4.72 0.65 -2.63 1.57 4.71 -1.26 -4.99 120.64 113.96 2bk4 n GLU 86 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.71 2bk4 n GLU 86 Cb 0.29 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.67 2bk4 n GLU 86 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2bk4 s ARG 87 N -2.13 4.35 0.64 3.49 0.52 -0.68 -4.14 118.95 120.99 2bk4 s ARG 87 Ca 0.00 1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 56.57 2bk4 s ARG 87 Cb 0.00 -2.66 -0.00 0.00 0.52 0.00 0.00 34.95 32.80 2bk4 s ARG 87 CO 0.00 0.04 1.00 -0.51 0.02 0.00 0.00 175.30 175.85 2bk4 s LEU 88 N -2.37 3.11 -0.08 2.53 1.02 0.04 -0.90 118.68 122.04 2bk4 s LEU 88 Ca 0.54 1.04 0.03 0.00 0.02 0.00 0.00 54.13 55.77 2bk4 s LEU 88 Cb -0.21 -3.90 0.01 0.00 0.02 0.00 0.00 46.19 42.10 2bk4 s LEU 88 CO 0.27 -1.12 -0.17 -0.63 0.02 0.00 0.00 176.35 174.72 2bk4 s ILE 89 N -3.17 1.48 -0.26 -0.59 1.01 -0.71 -0.96 121.20 117.99 2bk4 s ILE 89 Ca 0.55 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2bk4 s ILE 89 Cb -0.11 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 2bk4 s ILE 89 CO 0.50 0.43 0.08 -2.28 0.00 0.00 0.00 174.94 173.66 2bk4 s HIS 90 N 0.51 3.10 -0.27 3.97 5.65 -0.60 -0.58 115.29 127.07 2bk4 s HIS 90 Ca -0.15 -0.54 -0.07 0.00 0.25 0.00 0.00 55.06 54.54 2bk4 s HIS 90 Cb -0.16 -2.25 -0.01 0.00 -1.18 0.00 0.00 32.58 28.98 2bk4 s HIS 90 CO 0.05 -0.41 0.07 -1.58 -0.65 0.00 0.00 174.74 172.23 2bk4 s HIS 91 N 1.59 3.11 -0.05 3.88 2.46 0.36 -0.42 115.29 126.23 2bk4 s HIS 91 Ca 0.06 -0.72 -0.03 0.00 0.47 0.00 0.00 55.06 54.83 2bk4 s HIS 91 Cb -0.16 -2.25 0.02 0.00 -0.13 0.00 0.00 32.58 30.07 2bk4 s HIS 91 CO 0.03 -0.48 0.12 0.54 -2.47 0.00 0.00 174.74 172.48 2bk4 s VAL 92 N 1.55 -0.02 -1.49 0.89 0.11 0.11 -1.53 120.40 120.02 2bk4 s VAL 92 Ca 0.05 0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.06 2bk4 s VAL 92 Cb -0.16 -0.18 0.07 0.00 -1.53 0.00 0.00 36.38 34.58 2bk4 s VAL 92 CO 0.03 0.03 0.87 0.29 -3.33 0.00 0.00 175.10 172.98 2bk4 n LYS 93 N 3.42 -5.03 -1.01 1.54 4.76 -1.26 -1.94 118.16 118.64 2bk4 n LYS 93 Ca -0.17 0.57 -0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2bk4 n LYS 93 Cb 0.57 -5.32 -0.00 0.00 -1.84 0.00 0.00 35.03 28.44 2bk4 n LYS 93 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bk4 n GLY 94 N -1.66 0.41 3.16 0.72 0.00 -1.26 -5.02 105.19 101.53 2bk4 n GLY 94 Ca -0.05 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2bk4 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk4 s LYS 95 N -0.58 0.97 -0.16 1.61 1.02 -0.82 -5.07 119.74 116.72 2bk4 s LYS 95 Ca 0.00 -0.79 -0.08 0.00 0.02 0.00 0.00 55.97 55.12 2bk4 s LYS 95 Cb 0.00 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 2bk4 s LYS 95 CO 0.00 0.24 0.12 -1.12 -0.92 0.00 0.00 175.35 173.67 2bk4 s SER 96 N -1.19 6.15 -0.29 2.83 0.01 -1.26 -0.71 113.70 119.23 2bk4 s SER 96 Ca 0.02 0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.59 2bk4 s SER 96 Cb -0.08 -2.03 0.08 0.00 0.21 0.00 0.00 66.02 64.20 2bk4 s SER 96 CO 0.01 0.28 0.01 -0.31 0.41 0.00 0.00 173.24 173.64 2bk4 s TYR 97 N -0.23 2.79 0.55 2.43 1.51 0.44 -4.98 117.35 119.86 2bk4 s TYR 97 Ca 0.10 -2.24 -0.19 0.00 -1.01 0.00 0.00 57.07 53.73 2bk4 s TYR 97 Cb -0.12 -2.12 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 2bk4 s TYR 97 CO 0.01 -0.87 1.13 -2.14 -1.11 0.00 0.00 175.55 172.57 2bk4 s PRO 98 N 1.25 3.31 0.28 -1.71 0.02 -1.26 -1.56 135.00 135.33 2bk4 s PRO 98 Ca 0.04 1.59 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 2bk4 s PRO 98 Cb -0.19 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.36 2bk4 s PRO 98 CO -0.11 -0.88 0.77 -0.59 -0.33 0.00 0.00 177.00 175.86 2bk4 s PHE 99 N -1.83 -0.13 0.12 6.54 -0.12 -0.14 -4.93 117.98 117.51 2bk4 s PHE 99 Ca 0.72 -0.35 0.05 0.00 -0.05 0.00 0.00 56.93 57.31 2bk4 s PHE 99 Cb -0.23 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2bk4 s PHE 99 CO 0.28 -1.24 -0.12 1.03 -0.05 0.00 0.00 175.22 175.12 2bk4 s ARG 100 N -3.55 1.00 0.00 1.99 0.52 -1.26 -0.78 118.95 116.87 2bk4 s ARG 100 Ca 0.12 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.06 2bk4 s ARG 100 Cb -0.05 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.65 2bk4 s ARG 100 CO 0.07 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.93 2bk4 n GLY 101 N 0.37 1.24 0.20 -3.53 0.00 -1.26 -4.80 105.19 97.41 2bk4 n GLY 101 Ca -0.14 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 43.93 2bk4 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk4 h PRO 102 N 0.00 0.36 -6.24 1.61 0.13 -1.96 -3.44 132.00 122.45 2bk4 h PRO 102 Ca 0.00 -0.19 -0.69 0.00 -0.87 0.00 0.00 66.00 64.25 2bk4 h PRO 102 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 2bk4 h PRO 102 CO 0.00 0.75 -0.75 -0.06 -0.23 0.00 0.00 178.00 177.71 2bk4 s PHE 103 N -4.09 2.77 0.22 1.56 0.40 -1.26 -4.92 117.98 112.67 2bk4 s PHE 103 Ca -0.05 -0.12 -0.32 0.00 -0.60 0.00 0.00 56.93 55.83 2bk4 s PHE 103 Cb 0.13 -1.66 -0.12 0.00 0.51 0.00 0.00 43.02 41.88 2bk4 s PHE 103 CO 0.80 0.21 1.70 -2.14 0.70 0.00 0.00 175.22 176.49 2bk4 s PRO 104 N -0.71 4.12 0.58 0.24 0.02 -1.26 -4.92 135.00 133.07 2bk4 s PRO 104 Ca 0.11 2.61 -0.17 0.00 0.02 0.00 0.00 61.00 63.56 2bk4 s PRO 104 Cb -0.11 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 2bk4 s PRO 104 CO 0.01 -0.74 1.09 -1.25 -0.33 0.00 0.00 177.00 175.79 2bk4 s PRO 105 N 0.88 3.24 -0.09 5.54 0.04 -1.26 -5.05 135.00 138.30 2bk4 s PRO 105 Ca 0.73 1.42 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2bk4 s PRO 105 Cb -0.50 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.05 2bk4 s PRO 105 CO 0.35 -0.90 -0.13 0.08 0.04 0.00 0.00 177.00 176.43 2bk4 s VAL 106 N -2.12 1.29 -0.21 -0.36 1.01 -1.26 -5.06 120.40 113.69 2bk4 s VAL 106 Ca 0.68 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 2bk4 s VAL 106 Cb -0.20 -1.18 -0.19 0.00 0.00 0.00 0.00 36.38 34.80 2bk4 s VAL 106 CO 0.32 0.40 0.01 0.79 0.00 0.00 0.00 175.10 176.62 2bk4 n TRP 107 N 4.06 0.58 -1.68 5.22 7.02 -1.26 -4.71 117.44 126.68 2bk4 n TRP 107 Ca -0.20 0.16 -0.47 0.00 -1.02 0.00 0.00 57.50 55.97 2bk4 n TRP 107 Cb 0.51 -1.07 -0.04 0.00 -2.42 0.00 0.00 31.31 28.29 2bk4 n TRP 107 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2bk4 n ASN 108 N -3.71 3.54 -0.28 -0.99 2.85 -1.26 -4.83 115.26 110.58 2bk4 n ASN 108 Ca -0.41 0.97 0.07 0.00 -0.11 0.00 0.00 54.58 55.10 2bk4 n ASN 108 Cb 0.94 -1.40 0.30 0.00 1.24 0.00 0.00 39.78 40.86 2bk4 n ASN 108 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2bk4 h PRO 109 N 9.23 0.86 0.05 1.20 0.11 -1.98 0.82 132.00 142.29 2bk4 h PRO 109 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2bk4 h PRO 109 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2bk4 h PRO 109 CO 0.94 0.57 -0.02 0.82 -0.21 0.00 0.00 178.00 180.10 2bk4 h ILE 110 N 0.89 1.23 -0.89 4.15 1.08 -2.00 -1.85 117.51 120.13 2bk4 h ILE 110 Ca 0.41 -0.96 0.02 0.00 -0.39 0.00 0.00 64.86 63.93 2bk4 h ILE 110 Cb 0.38 1.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.95 2bk4 h ILE 110 CO -0.17 0.24 0.59 0.74 -0.69 0.00 0.00 178.15 178.86 2bk4 h THR 111 N -0.50 1.20 -0.32 -0.27 2.02 -1.86 -1.75 112.91 111.43 2bk4 h THR 111 Ca -0.01 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.79 2bk4 h THR 111 Cb 0.44 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2bk4 h THR 111 CO 0.01 0.21 0.17 0.22 0.37 0.00 0.00 175.52 176.50 2bk4 h TYR 112 N 1.16 0.31 -0.90 3.16 5.03 0.73 0.42 116.97 126.89 2bk4 h TYR 112 Ca 0.34 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.65 2bk4 h TYR 112 Cb -0.08 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.07 2bk4 h TYR 112 CO -0.00 0.17 0.52 -0.07 -1.32 0.00 0.00 178.16 177.46 2bk4 h LEU 113 N 0.35 1.11 -0.09 2.82 3.38 -0.85 -1.19 115.31 120.84 2bk4 h LEU 113 Ca 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2bk4 h LEU 113 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2bk4 h LEU 113 CO -0.08 0.87 -0.03 -0.78 0.09 0.00 0.00 178.44 178.51 2bk4 h ASP 114 N 1.25 0.18 -0.32 -0.43 3.58 -0.87 -0.94 116.42 118.88 2bk4 h ASP 114 Ca 0.32 -0.38 0.01 0.00 0.42 0.00 0.00 57.03 57.40 2bk4 h ASP 114 Cb -0.01 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2bk4 h ASP 114 CO -0.06 0.52 0.20 0.45 -2.88 0.00 0.00 179.24 177.48 2bk4 h HIS 115 N -0.16 0.38 -0.59 0.28 3.86 -0.86 -0.91 115.15 117.15 2bk4 h HIS 115 Ca 0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2bk4 h HIS 115 Cb 0.44 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 2bk4 h HIS 115 CO 0.06 0.24 0.39 -0.97 0.86 0.00 0.00 177.93 178.50 2bk4 h ASN 116 N 0.42 0.68 -0.36 2.45 -0.73 -1.17 -2.67 115.58 114.20 2bk4 h ASN 116 Ca 0.12 -0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.19 2bk4 h ASN 116 Cb -0.03 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.37 2bk4 h ASN 116 CO -0.04 0.50 -0.05 -1.13 -0.37 0.00 0.00 177.43 176.35 2bk4 h ASN 117 N 0.80 0.74 0.67 1.15 -0.73 -0.99 -2.71 115.58 114.51 2bk4 h ASN 117 Ca 0.22 -0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 2bk4 h ASN 117 Cb -0.08 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.30 2bk4 h ASN 117 CO -0.05 0.84 -0.47 0.15 -0.37 0.00 0.00 177.43 177.53 2bk4 h PHE 118 N 0.71 -1.26 -0.70 0.67 3.57 -0.83 -0.03 116.94 119.07 2bk4 h PHE 118 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2bk4 h PHE 118 Cb 0.50 0.46 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2bk4 h PHE 118 CO 0.03 -0.68 0.40 -1.49 -2.23 0.00 0.00 178.31 174.33 2bk4 h TRP 119 N -1.09 0.95 -0.45 0.41 4.06 -1.57 -1.74 115.95 116.52 2bk4 h TRP 119 Ca -0.09 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.86 2bk4 h TRP 119 Cb 0.90 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.72 2bk4 h TRP 119 CO -0.15 0.66 0.28 -0.09 -3.56 0.00 0.00 178.44 175.58 2bk4 h ARG 120 N 0.96 0.54 -0.39 0.49 2.43 -1.44 -2.53 114.38 114.43 2bk4 h ARG 120 Ca 0.25 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 2bk4 h ARG 120 Cb 0.01 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2bk4 h ARG 120 CO -0.04 0.36 -0.23 1.15 -1.51 0.00 0.00 179.97 179.69 2bk4 h THR 121 N 0.56 1.27 -0.51 0.20 2.02 -0.66 0.85 112.91 116.65 2bk4 h THR 121 Ca 0.17 -1.35 0.07 0.00 0.77 0.00 0.00 66.41 66.06 2bk4 h THR 121 Cb -0.02 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 2bk4 h THR 121 CO -0.07 0.45 0.19 0.24 0.37 0.00 0.00 175.52 176.71 2bk4 h MET 122 N 0.69 0.37 -0.21 6.66 2.86 -1.09 -0.22 114.93 123.98 2bk4 h MET 122 Ca 0.09 -0.02 -0.20 0.00 -2.06 0.00 0.00 59.70 57.51 2bk4 h MET 122 Cb 0.75 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2bk4 h MET 122 CO 0.06 0.24 -0.65 -0.44 1.06 0.00 0.00 176.91 177.18 2bk4 h ASP 123 N 0.38 0.90 -0.15 1.22 3.32 -1.15 -1.88 116.42 119.05 2bk4 h ASP 123 Ca 0.24 -0.53 0.04 0.00 0.02 0.00 0.00 57.03 56.80 2bk4 h ASP 123 Cb 0.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2bk4 h ASP 123 CO -0.23 1.32 -0.09 0.44 -1.72 0.00 0.00 179.24 178.95 2bk4 h ASP 124 N 0.57 -0.30 -0.67 6.45 3.32 -0.49 -1.85 116.42 123.46 2bk4 h ASP 124 Ca -0.02 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2bk4 h ASP 124 Cb 1.26 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.94 2bk4 h ASP 124 CO 0.14 -0.12 0.32 0.24 -1.72 0.00 0.00 179.24 178.09 2bk4 h MET 125 N -0.09 0.96 -0.68 3.56 2.86 -1.05 -2.76 114.93 117.73 2bk4 h MET 125 Ca 0.09 -0.14 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2bk4 h MET 125 Cb 0.22 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2bk4 h MET 125 CO -0.21 0.76 0.45 0.78 1.06 0.00 0.00 176.91 179.76 2bk4 h GLY 126 N 0.92 0.75 2.00 8.32 0.00 -0.85 -1.82 103.07 112.39 2bk4 h GLY 126 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2bk4 h GLY 126 CO -0.03 0.13 0.00 3.21 0.00 0.00 0.00 176.54 179.85 2bk4 h ARG 127 N 0.53 0.00 -0.01 4.80 3.08 -1.04 -1.52 114.38 120.21 2bk4 h ARG 127 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2bk4 h ARG 127 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2bk4 h ARG 127 CO -0.10 0.00 -0.15 0.39 -1.07 0.00 0.00 179.97 179.04 2bk4 n GLU 128 N -2.65 0.98 -3.77 0.04 -0.58 -0.68 -4.83 120.64 109.15 2bk4 n GLU 128 Ca -0.00 -0.50 -0.37 0.00 -0.42 0.00 0.00 57.16 55.87 2bk4 n GLU 128 Cb 0.18 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.44 2bk4 n GLU 128 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2bk4 s ILE 129 N -2.36 3.73 0.21 -3.67 1.01 -0.58 -4.28 121.20 115.27 2bk4 s ILE 129 Ca 0.30 -1.07 -0.31 0.00 0.00 0.00 0.00 60.65 59.56 2bk4 s ILE 129 Cb 0.20 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.49 2bk4 s ILE 129 CO 0.46 -0.12 1.54 -2.84 0.00 0.00 0.00 174.94 173.98 2bk4 s PRO 130 N 1.40 4.21 0.31 2.79 0.02 -1.26 -4.91 135.00 137.56 2bk4 s PRO 130 Ca -0.01 2.39 -0.01 0.00 0.02 0.00 0.00 61.00 63.39 2bk4 s PRO 130 Cb -0.19 -3.11 0.47 0.00 0.02 0.00 0.00 34.50 31.69 2bk4 s PRO 130 CO 0.02 -0.56 1.97 0.77 -0.33 0.00 0.00 177.00 178.87 2bk4 h SER 131 N 5.95 0.92 0.02 2.53 0.02 -1.94 -2.38 113.55 118.66 2bk4 h SER 131 Ca -0.44 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2bk4 h SER 131 Cb 1.21 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2bk4 h SER 131 CO 0.86 0.66 -0.04 -0.90 -1.14 0.00 0.00 176.83 176.26 2bk4 n ASP 132 N -4.42 1.66 -2.74 3.07 5.75 -1.26 -4.54 116.55 114.08 2bk4 n ASP 132 Ca 0.09 -1.49 -0.08 0.00 -0.01 0.00 0.00 54.79 53.30 2bk4 n ASP 132 Cb 0.03 0.03 0.07 0.00 -1.03 0.00 0.00 41.12 40.22 2bk4 n ASP 132 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bk4 n ALA 133 N 0.23 -1.34 0.24 2.12 0.00 -1.00 -5.02 120.51 115.74 2bk4 n ALA 133 Ca 0.17 -1.35 0.13 0.00 0.00 0.00 0.00 53.44 52.39 2bk4 n ALA 133 Cb 0.39 -1.40 0.77 0.00 0.00 0.00 0.00 19.45 19.21 2bk4 n ALA 133 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bk4 h PRO 134 N 3.59 0.00 0.00 0.00 0.13 -1.68 0.56 132.00 134.60 2bk4 h PRO 134 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2bk4 h PRO 134 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2bk4 h PRO 134 CO 0.23 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.33 2bk4 n TRP 135 N -4.17 0.21 1.43 1.56 2.14 -1.26 -1.98 117.44 115.37 2bk4 n TRP 135 Ca -0.01 0.10 0.14 0.00 2.07 0.00 0.00 57.50 59.79 2bk4 n TRP 135 Cb 0.17 -0.66 0.47 0.00 -0.81 0.00 0.00 31.31 30.49 2bk4 n TRP 135 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2bk4 n LYS 136 N -1.71 1.69 -1.68 -2.67 5.02 0.19 -4.77 118.16 114.22 2bk4 n LYS 136 Ca 0.01 -1.04 -0.43 0.00 -2.02 0.00 0.00 58.31 54.84 2bk4 n LYS 136 Cb 0.09 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2bk4 n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bk4 n ALA 137 N 0.25 1.04 -0.34 7.82 0.00 -0.84 -4.88 120.51 123.56 2bk4 n ALA 137 Ca 0.18 0.37 0.14 0.00 0.00 0.00 0.00 53.44 54.13 2bk4 n ALA 137 Cb 0.38 -2.21 0.35 0.00 0.00 0.00 0.00 19.45 17.97 2bk4 n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bk4 h PRO 138 N 2.46 0.69 -0.65 0.00 0.11 -1.92 -1.43 132.00 131.25 2bk4 h PRO 138 Ca -0.45 -0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.24 2bk4 h PRO 138 Cb 1.29 -0.16 -0.22 0.00 0.11 0.00 0.00 31.00 32.03 2bk4 h PRO 138 CO 0.62 0.46 0.16 1.28 -0.21 0.00 0.00 178.00 180.31 2bk4 n LEU 139 N -4.72 5.40 -0.14 2.35 4.77 -1.26 -4.80 117.00 118.59 2bk4 n LEU 139 Ca 0.23 -3.93 -0.03 0.00 -0.03 0.00 0.00 56.01 52.24 2bk4 n LEU 139 Cb 0.59 -0.71 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 2bk4 n LEU 139 CO 0.23 1.34 0.83 0.00 -1.33 0.00 0.00 177.39 178.46 2bk4 h ALA 140 N 1.28 0.39 -0.11 -1.18 0.00 -1.56 -0.74 119.26 117.34 2bk4 h ALA 140 Ca 0.40 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2bk4 h ALA 140 Cb 1.83 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 2bk4 h ALA 140 CO 0.79 -0.41 0.01 0.93 0.00 0.00 0.00 179.25 180.57 2bk4 h GLU 141 N 0.08 0.18 -0.45 0.00 5.08 -1.87 0.15 114.58 117.74 2bk4 h GLU 141 Ca 0.23 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2bk4 h GLU 141 Cb 0.34 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2bk4 h GLU 141 CO -0.41 0.39 0.08 1.49 -1.00 0.00 0.00 179.01 179.57 2bk4 h GLU 142 N -0.06 0.20 -0.05 2.33 4.81 -1.89 -0.88 114.58 119.04 2bk4 h GLU 142 Ca 0.03 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 2bk4 h GLU 142 Cb 0.30 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2bk4 h GLU 142 CO 0.00 0.14 -0.65 -1.49 -0.73 0.00 0.00 179.01 176.28 2bk4 h TRP 143 N 0.21 0.27 0.00 0.92 6.55 -1.01 -3.14 115.95 119.75 2bk4 h TRP 143 Ca 0.22 -0.11 -0.04 0.00 0.95 0.00 0.00 58.89 59.92 2bk4 h TRP 143 Cb 0.29 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 2bk4 h TRP 143 CO -0.22 0.79 -0.17 0.22 -1.05 0.00 0.00 178.44 178.01 2bk4 h ASP 144 N 0.15 0.00 -0.33 -3.49 3.58 -0.30 -2.33 116.42 113.69 2bk4 h ASP 144 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2bk4 h ASP 144 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2bk4 h ASP 144 CO 0.10 0.17 0.00 0.59 -2.88 0.00 0.00 179.24 177.22 2bk4 n ASN 145 N -3.23 1.83 -4.22 2.28 3.02 -0.37 -0.67 115.26 113.90 2bk4 n ASN 145 Ca 0.01 -2.01 -0.26 0.00 -0.03 0.00 0.00 54.58 52.29 2bk4 n ASN 145 Cb 0.47 -0.24 -0.15 0.00 -0.61 0.00 0.00 39.78 39.26 2bk4 n ASN 145 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2bk4 s MET 146 N -1.56 1.50 0.68 3.52 1.75 -1.21 -4.93 119.30 119.05 2bk4 s MET 146 Ca 0.22 -0.79 -0.09 0.00 -1.25 0.00 0.00 55.69 53.79 2bk4 s MET 146 Cb 0.12 -1.51 0.02 0.00 2.84 0.00 0.00 34.83 36.30 2bk4 s MET 146 CO 0.15 0.40 1.03 0.95 -0.65 0.00 0.00 175.02 176.91 2bk4 s THR 147 N -0.59 3.29 0.50 10.11 -4.23 -1.26 -1.18 115.64 122.27 2bk4 s THR 147 Ca 0.07 0.21 0.15 0.00 -1.18 0.00 0.00 61.69 60.94 2bk4 s THR 147 Cb -0.08 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.63 2bk4 s THR 147 CO 0.00 -0.46 2.11 0.24 -0.54 0.00 0.00 174.62 175.97 2bk4 h MET 148 N -0.53 0.04 -0.13 3.99 2.86 -0.71 -2.42 114.93 118.03 2bk4 h MET 148 Ca -0.45 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2bk4 h MET 148 Cb 1.27 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 2bk4 h MET 148 CO 0.63 0.07 0.08 -0.22 1.06 0.00 0.00 176.91 178.53 2bk4 h LYS 149 N 0.04 0.17 -0.47 1.72 1.63 -1.57 -0.33 116.57 117.76 2bk4 h LYS 149 Ca 0.01 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2bk4 h LYS 149 Cb 0.07 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 2bk4 h LYS 149 CO 0.00 0.13 0.27 0.93 -3.45 0.00 0.00 179.45 177.33 2bk4 h GLU 150 N 0.16 0.51 -0.35 1.90 5.08 -1.81 -0.54 114.58 119.54 2bk4 h GLU 150 Ca 0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2bk4 h GLU 150 Cb -0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2bk4 h GLU 150 CO -0.01 0.34 0.21 1.25 -1.00 0.00 0.00 179.01 179.80 2bk4 h LEU 151 N 0.53 0.42 -0.67 1.33 5.85 -1.21 -2.15 115.31 119.42 2bk4 h LEU 151 Ca 0.19 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2bk4 h LEU 151 Cb 0.05 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2bk4 h LEU 151 CO -0.10 0.35 0.36 -0.07 -0.34 0.00 0.00 178.44 178.64 2bk4 h LEU 152 N 0.45 0.84 -1.31 2.25 3.38 -0.88 -0.04 115.31 119.99 2bk4 h LEU 152 Ca 0.13 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2bk4 h LEU 152 Cb 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2bk4 h LEU 152 CO -0.02 0.70 0.50 0.44 0.09 0.00 0.00 178.44 180.14 2bk4 h ASP 153 N 0.91 0.75 -0.07 -0.43 3.32 -0.94 0.09 116.42 120.05 2bk4 h ASP 153 Ca 0.23 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.11 2bk4 h ASP 153 Cb 0.05 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.45 2bk4 h ASP 153 CO -0.04 0.50 -0.63 0.50 -1.72 0.00 0.00 179.24 177.85 2bk4 h LYS 154 N 0.86 0.54 0.21 3.56 3.64 -0.95 -3.38 116.57 121.04 2bk4 h LYS 154 Ca 0.31 -0.50 -0.32 0.00 -1.27 0.00 0.00 60.65 58.87 2bk4 h LYS 154 Cb 0.16 0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2bk4 h LYS 154 CO -0.10 1.13 -1.47 -0.07 -2.27 0.00 0.00 179.45 176.67 2bk4 h LEU 155 N 0.14 0.68 -8.67 5.20 3.38 -0.63 -3.45 115.31 111.97 2bk4 h LEU 155 Ca -0.06 -0.78 -0.65 0.00 0.09 0.00 0.00 57.88 56.48 2bk4 h LEU 155 Cb 1.29 -0.22 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2bk4 h LEU 155 CO 0.13 1.62 0.03 0.00 0.09 0.00 0.00 178.44 180.30 2bk4 n TRP 157 N 5.97 0.00 -4.44 0.00 7.02 -1.26 -4.84 117.44 119.89 2bk4 n TRP 157 Ca -0.03 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.20 2bk4 n TRP 157 Cb 0.48 -0.14 -0.13 0.00 -2.42 0.00 0.00 31.31 29.10 2bk4 n TRP 157 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2bk4 s THR 158 N -2.45 1.74 0.34 -0.99 -4.23 -1.26 -5.03 115.64 103.76 2bk4 s THR 158 Ca 0.27 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2bk4 s THR 158 Cb 0.20 -1.55 0.19 0.00 1.34 0.00 0.00 72.50 72.67 2bk4 s THR 158 CO 0.49 0.06 1.91 -0.33 -0.54 0.00 0.00 174.62 176.21 2bk4 h GLU 159 N 4.38 0.61 -0.26 3.99 4.39 -1.99 -2.28 114.58 123.43 2bk4 h GLU 159 Ca -0.45 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.18 2bk4 h GLU 159 Cb 1.17 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 2bk4 h GLU 159 CO 0.41 0.55 0.06 1.03 -1.16 0.00 0.00 179.01 179.90 2bk4 h SER 160 N 0.60 0.02 -0.31 1.42 0.87 -1.99 0.19 113.55 114.35 2bk4 h SER 160 Ca 0.14 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 2bk4 h SER 160 Cb 0.21 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2bk4 h SER 160 CO -0.01 0.05 -0.07 0.00 -0.53 0.00 0.00 176.83 176.27 2bk4 h ALA 161 N 1.18 0.42 -0.91 6.23 0.00 -1.89 -2.65 119.26 121.65 2bk4 h ALA 161 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bk4 h ALA 161 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2bk4 h ALA 161 CO -0.15 0.25 0.57 -0.22 0.00 0.00 0.00 179.25 179.70 2bk4 h LYS 162 N 0.36 1.21 -0.39 0.00 3.64 -1.14 0.50 116.57 120.75 2bk4 h LYS 162 Ca 0.08 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2bk4 h LYS 162 Cb 0.56 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2bk4 h LYS 162 CO 0.03 0.82 0.22 1.96 -2.27 0.00 0.00 179.45 180.22 2bk4 h GLN 163 N 1.24 0.54 -0.36 1.90 4.20 -0.59 -0.90 115.11 121.14 2bk4 h GLN 163 Ca 0.33 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.84 2bk4 h GLN 163 Cb -0.10 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2bk4 h GLN 163 CO -0.07 0.43 -0.34 1.25 -0.67 0.00 0.00 178.83 179.43 2bk4 h LEU 164 N 0.51 0.91 -1.01 1.46 5.85 -1.18 -2.20 115.31 119.65 2bk4 h LEU 164 Ca 0.14 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2bk4 h LEU 164 Cb 0.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2bk4 h LEU 164 CO -0.02 1.19 0.53 0.00 -0.34 0.00 0.00 178.44 179.79 2bk4 h ALA 165 N 0.75 1.25 -0.17 1.25 0.00 -0.82 0.04 119.26 121.57 2bk4 h ALA 165 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2bk4 h ALA 165 Cb 0.93 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2bk4 h ALA 165 CO 0.09 0.63 0.04 1.15 0.00 0.00 0.00 179.25 181.16 2bk4 h THR 166 N 1.23 1.21 -0.58 0.00 2.02 -1.05 -1.82 112.91 113.91 2bk4 h THR 166 Ca 0.32 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.88 2bk4 h THR 166 Cb -0.04 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 2bk4 h THR 166 CO -0.06 0.20 0.32 0.25 0.37 0.00 0.00 175.52 176.61 2bk4 h LEU 167 N 0.08 0.49 -0.47 2.58 6.46 -1.12 -1.01 115.31 122.31 2bk4 h LEU 167 Ca 0.05 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.92 2bk4 h LEU 167 Cb 0.28 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.05 2bk4 h LEU 167 CO 0.00 0.33 0.00 0.15 -0.62 0.00 0.00 178.44 178.31 2bk4 h PHE 168 N 0.62 -0.02 0.10 1.25 3.57 -0.74 0.44 116.94 122.16 2bk4 h PHE 168 Ca 0.25 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2bk4 h PHE 168 Cb 0.12 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2bk4 h PHE 168 CO -0.08 -0.10 -0.05 0.28 -2.23 0.00 0.00 178.31 176.13 2bk4 h VAL 169 N 0.12 1.00 -0.84 1.41 2.07 -0.89 -0.65 116.25 118.47 2bk4 h VAL 169 Ca 0.24 -0.39 0.13 0.00 0.82 0.00 0.00 66.70 67.50 2bk4 h VAL 169 Cb 0.35 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.29 2bk4 h VAL 169 CO -0.39 0.10 0.45 0.78 0.02 0.00 0.00 177.57 178.52 2bk4 h ASN 170 N -0.32 0.57 -0.18 0.57 -0.26 -0.84 -1.77 115.58 113.35 2bk4 h ASN 170 Ca -0.01 0.08 -0.21 0.00 -0.56 0.00 0.00 56.30 55.59 2bk4 h ASN 170 Cb 0.27 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.52 2bk4 h ASN 170 CO 0.02 0.27 -0.72 0.25 -1.06 0.00 0.00 177.43 176.19 2bk4 h LEU 171 N 0.67 0.95 -0.41 1.61 5.85 -0.78 -0.63 115.31 122.57 2bk4 h LEU 171 Ca 0.44 -0.60 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 2bk4 h LEU 171 Cb 0.57 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2bk4 h LEU 171 CO -0.33 1.40 -0.06 0.00 -0.34 0.00 0.00 178.44 179.10 2bk4 n VAL 173 N -4.36 0.67 -4.39 0.00 0.24 -0.71 -4.97 118.33 104.80 2bk4 n VAL 173 Ca -0.01 -0.76 -0.38 0.00 -2.04 0.00 0.00 64.34 61.15 2bk4 n VAL 173 Cb 0.34 0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 33.09 2bk4 n VAL 173 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bk4 n THR 174 N -0.45 -0.63 -3.88 3.34 -2.24 -0.24 -4.58 114.28 105.60 2bk4 n THR 174 Ca 0.04 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 2bk4 n THR 174 Cb 0.54 -1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 2bk4 n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk4 s ALA 175 N -3.53 -0.17 0.57 6.98 0.00 -1.25 -1.36 121.76 122.99 2bk4 s ALA 175 Ca 0.59 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 2bk4 s ALA 175 Cb -0.34 0.53 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 2bk4 s ALA 175 CO 0.99 -0.52 1.01 -1.21 0.00 0.00 0.00 175.76 176.03 2bk4 s GLU 176 N -3.88 3.77 0.33 0.00 0.41 -1.26 -3.70 118.70 114.37 2bk4 s GLU 176 Ca 0.07 0.85 0.04 0.00 -0.41 0.00 0.00 54.97 55.52 2bk4 s GLU 176 Cb 0.05 -2.11 0.57 0.00 -1.78 0.00 0.00 34.13 30.86 2bk4 s GLU 176 CO -0.10 -0.42 1.83 1.79 -0.49 0.00 0.00 175.26 177.88 2bk4 h THR 177 N 0.30 1.22 0.00 3.63 1.35 -1.94 -1.81 112.91 115.65 2bk4 h THR 177 Ca -0.45 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2bk4 h THR 177 Cb 1.19 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2bk4 h THR 177 CO 0.62 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 176.19 2bk4 n HIS 178 N -4.23 0.29 0.09 4.73 1.44 -1.26 -1.56 115.22 114.72 2bk4 n HIS 178 Ca 0.01 0.10 -0.00 0.00 -2.01 0.00 0.00 57.72 55.81 2bk4 n HIS 178 Cb 0.29 -0.66 -0.04 0.00 0.12 0.00 0.00 29.99 29.71 2bk4 n HIS 178 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2bk4 h GLU 179 N 0.00 0.00 -6.42 -1.40 5.08 -1.70 -3.47 114.58 106.67 2bk4 h GLU 179 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 2bk4 h GLU 179 Cb 0.45 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.53 2bk4 h GLU 179 CO 0.00 0.50 -0.73 0.14 -1.00 0.00 0.00 179.01 177.92 2bk4 s VAL 180 N -2.90 3.43 0.34 3.13 -7.23 -1.22 -4.17 120.40 111.78 2bk4 s VAL 180 Ca 0.01 -0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 2bk4 s VAL 180 Cb 0.08 -2.52 -0.11 0.00 0.56 0.00 0.00 36.38 34.39 2bk4 s VAL 180 CO 0.78 0.29 1.47 -0.55 -0.31 0.00 0.00 175.10 176.79 2bk4 s SER 181 N -1.68 6.45 0.11 4.85 0.15 -0.04 -1.53 113.70 122.01 2bk4 s SER 181 Ca 0.18 2.93 -0.17 0.00 0.70 0.00 0.00 55.95 59.59 2bk4 s SER 181 Cb -0.11 -2.65 -0.05 0.00 -1.71 0.00 0.00 66.02 61.50 2bk4 s SER 181 CO 0.09 -0.81 1.56 0.00 1.20 0.00 0.00 173.24 175.29 2bk4 h ALA 182 N 3.66 0.43 -0.28 5.45 0.00 -1.17 -1.68 119.26 125.67 2bk4 h ALA 182 Ca -0.49 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.25 2bk4 h ALA 182 Cb 1.23 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2bk4 h ALA 182 CO 0.69 0.16 -0.02 1.25 0.00 0.00 0.00 179.25 181.33 2bk4 h LEU 183 N 0.37 -0.15 -0.30 0.00 5.85 -1.67 -0.52 115.31 118.88 2bk4 h LEU 183 Ca 0.09 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2bk4 h LEU 183 Cb 0.40 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2bk4 h LEU 183 CO 0.01 -0.04 0.19 -0.25 -0.34 0.00 0.00 178.44 178.00 2bk4 h TRP 184 N 0.06 0.40 -0.69 1.25 7.01 -1.87 -0.33 115.95 121.78 2bk4 h TRP 184 Ca 0.13 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 2bk4 h TRP 184 Cb 0.18 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 2bk4 h TRP 184 CO -0.23 0.29 0.22 0.35 -2.79 0.00 0.00 178.44 176.27 2bk4 h PHE 185 N 0.39 1.10 -0.66 2.65 3.57 -1.03 0.11 116.94 123.07 2bk4 h PHE 185 Ca 0.11 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2bk4 h PHE 185 Cb 0.00 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 2bk4 h PHE 185 CO -0.04 0.88 0.15 -0.07 -2.23 0.00 0.00 178.31 177.00 2bk4 h LEU 186 N 1.00 0.99 -0.24 0.59 3.38 -0.97 -1.81 115.31 118.25 2bk4 h LEU 186 Ca 0.22 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bk4 h LEU 186 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2bk4 h LEU 186 CO -0.01 0.96 0.14 -0.25 0.09 0.00 0.00 178.44 179.38 2bk4 h TRP 187 N 1.00 0.32 -0.35 1.13 7.01 -0.65 -2.07 115.95 122.34 2bk4 h TRP 187 Ca 0.21 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.24 2bk4 h TRP 187 Cb 0.36 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 2bk4 h TRP 187 CO 0.03 0.25 0.14 -0.92 -2.79 0.00 0.00 178.44 175.14 2bk4 h TYR 188 N 0.30 0.25 -0.28 2.65 3.20 -0.37 -0.35 116.97 122.36 2bk4 h TYR 188 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2bk4 h TYR 188 Cb 0.02 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2bk4 h TYR 188 CO -0.04 0.11 0.06 0.28 -1.64 0.00 0.00 178.16 176.93 2bk4 h VAL 189 N 0.29 1.22 -0.78 1.81 2.07 -1.34 -3.13 116.25 116.39 2bk4 h VAL 189 Ca 0.16 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.97 2bk4 h VAL 189 Cb 0.11 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2bk4 h VAL 189 CO -0.15 0.24 0.49 0.50 0.02 0.00 0.00 177.57 178.68 2bk4 h LYS 190 N 0.29 0.91 0.00 1.57 1.63 -0.93 -1.39 116.57 118.64 2bk4 h LYS 190 Ca 0.09 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2bk4 h LYS 190 Cb 0.31 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2bk4 h LYS 190 CO 0.00 0.60 0.00 0.00 -3.45 0.00 0.00 179.45 176.60 2bk4 n GLN 191 N -4.63 0.57 -0.24 1.90 -0.00 -0.18 -0.99 117.38 113.81 2bk4 n GLN 191 Ca 0.10 0.02 0.12 0.00 -0.00 0.00 0.00 57.00 57.23 2bk4 n GLN 191 Cb 0.12 -1.50 0.26 0.00 -0.00 0.00 0.00 30.24 29.12 2bk4 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bk4 n GLY 193 N 1.53 0.74 0.00 0.00 0.00 -0.16 -4.36 105.19 102.93 2bk4 n GLY 193 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2bk4 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 194 N -2.12 -2.56 0.16 -0.02 0.00 -0.58 -4.54 105.19 95.54 2bk4 n GLY 194 Ca 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.73 2bk4 n GLY 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bk4 h THR 195 N 0.00 1.23 -0.11 2.61 1.35 -1.91 -1.47 112.91 114.61 2bk4 h THR 195 Ca 0.00 -0.78 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2bk4 h THR 195 Cb 0.00 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 2bk4 h THR 195 CO 0.00 0.25 0.06 0.74 -0.25 0.00 0.00 175.52 176.33 2bk4 h THR 196 N 0.28 1.07 -0.50 6.82 2.02 -1.97 -2.22 112.91 118.42 2bk4 h THR 196 Ca 0.09 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 2bk4 h THR 196 Cb 0.33 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2bk4 h THR 196 CO 0.00 0.07 0.30 -0.09 0.37 0.00 0.00 175.52 176.17 2bk4 h ARG 197 N 0.10 0.69 -0.17 6.66 9.65 -1.77 -1.55 114.38 127.99 2bk4 h ARG 197 Ca 0.04 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.71 2bk4 h ARG 197 Cb 0.05 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2bk4 h ARG 197 CO -0.01 0.51 -0.51 0.97 2.80 0.00 0.00 179.97 183.74 2bk4 h ILE 198 N 0.67 1.33 0.00 1.20 2.10 -1.24 -1.72 117.51 119.85 2bk4 h ILE 198 Ca 0.18 -1.74 0.00 0.00 1.08 0.00 0.00 64.86 64.38 2bk4 h ILE 198 Cb 0.00 1.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 2bk4 h ILE 198 CO -0.03 0.53 -0.76 0.15 -1.08 0.00 0.00 178.15 176.96 2bk4 h PHE 199 N 0.36 0.00 -3.83 2.19 3.57 -1.25 -3.39 116.94 114.60 2bk4 h PHE 199 Ca 0.01 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.04 2bk4 h PHE 199 Cb 1.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2bk4 h PHE 199 CO 0.03 0.00 0.24 -1.12 -2.23 0.00 0.00 178.31 175.24 2bk4 s SER 200 N -4.84 7.07 0.00 0.41 0.01 -0.60 -4.93 113.70 110.82 2bk4 s SER 200 Ca 0.03 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.89 2bk4 s SER 200 Cb 0.11 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2bk4 s SER 200 CO 0.75 -0.14 0.00 0.41 0.41 0.00 0.00 173.24 174.67 2bk4 n THR 201 N 0.13 0.00 -1.69 1.44 -1.04 -1.26 -2.13 114.28 109.73 2bk4 n THR 201 Ca 0.02 0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.64 2bk4 n THR 201 Cb 0.52 -0.47 -0.04 0.00 -1.82 0.00 0.00 70.33 68.52 2bk4 n THR 201 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2bk4 n THR 202 N -0.99 0.21 -1.52 12.58 -1.04 -1.26 -1.72 114.28 120.54 2bk4 n THR 202 Ca 0.00 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.81 2bk4 n THR 202 Cb 0.00 -1.85 -0.07 0.00 -1.82 0.00 0.00 70.33 66.59 2bk4 n THR 202 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2bk4 n ASN 203 N 4.74 -4.96 -0.63 8.00 5.15 -1.26 -4.98 115.26 121.31 2bk4 n ASN 203 Ca 0.18 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 2bk4 n ASN 203 Cb 0.33 -3.91 0.00 0.00 -0.53 0.00 0.00 39.78 35.66 2bk4 n ASN 203 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bk4 n GLY 204 N -0.97 4.18 0.31 8.20 0.00 -0.70 -4.77 105.19 111.44 2bk4 n GLY 204 Ca -0.17 -1.48 0.17 0.00 0.00 0.00 0.00 46.02 44.55 2bk4 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bk4 h GLY 205 N 0.00 0.00 -3.17 -0.02 0.00 -0.94 -2.48 103.07 96.47 2bk4 h GLY 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bk4 h GLY 205 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2bk4 n GLN 206 N -3.63 4.34 -0.25 4.80 3.00 -0.91 -3.70 117.38 121.03 2bk4 n GLN 206 Ca -0.03 -3.04 -0.07 0.00 -0.01 0.00 0.00 57.00 53.86 2bk4 n GLN 206 Cb 0.10 -2.10 0.07 0.00 0.00 0.00 0.00 30.24 28.31 2bk4 n GLN 206 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2bk4 h GLU 207 N 3.77 1.12 -4.37 -1.09 4.81 -0.99 -3.43 114.58 114.40 2bk4 h GLU 207 Ca 0.00 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 2bk4 h GLU 207 Cb 1.76 -0.15 -0.15 0.00 0.63 0.00 0.00 28.75 30.83 2bk4 h GLU 207 CO 0.38 0.97 -0.67 1.03 -0.73 0.00 0.00 179.01 180.00 2bk4 s ARG 208 N -5.33 0.76 0.19 1.92 0.52 -0.15 -0.83 118.95 116.03 2bk4 s ARG 208 Ca -0.12 -1.32 0.03 0.00 -0.52 0.00 0.00 55.73 53.80 2bk4 s ARG 208 Cb 0.15 0.15 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 2bk4 s ARG 208 CO 0.84 -0.15 -0.02 0.15 0.02 0.00 0.00 175.30 176.14 2bk4 s LYS 209 N -3.95 1.19 0.07 3.54 1.02 -0.65 -0.65 119.74 120.32 2bk4 s LYS 209 Ca 0.14 -1.57 -0.30 0.00 0.02 0.00 0.00 55.97 54.26 2bk4 s LYS 209 Cb 0.07 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 36.84 2bk4 s LYS 209 CO -0.05 -0.07 0.95 -0.06 -0.92 0.00 0.00 175.35 175.20 2bk4 s PHE 210 N -3.48 3.76 0.05 3.18 0.40 -1.26 -1.00 117.98 119.62 2bk4 s PHE 210 Ca 0.24 1.74 -0.30 0.00 -0.60 0.00 0.00 56.93 58.01 2bk4 s PHE 210 Cb 0.05 -3.06 -0.08 0.00 0.51 0.00 0.00 43.02 40.44 2bk4 s PHE 210 CO 0.05 0.14 1.77 0.08 0.70 0.00 0.00 175.22 177.96 2bk4 s VAL 211 N 0.32 3.05 0.00 -0.44 1.01 0.11 -1.91 120.40 122.54 2bk4 s VAL 211 Ca 0.48 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2bk4 s VAL 211 Cb -0.22 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2bk4 s VAL 211 CO 0.29 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2bk4 n GLY 212 N 4.21 1.51 0.00 4.51 0.00 -1.26 -4.67 105.19 109.48 2bk4 n GLY 212 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bk4 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 213 N -2.00 2.43 0.24 -0.02 0.00 -0.80 -4.80 105.19 100.23 2bk4 n GLY 213 Ca 0.00 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.37 2bk4 n GLY 213 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bk4 h SER 214 N 0.00 0.00 -0.00 1.61 4.64 -1.83 -3.14 113.55 114.82 2bk4 h SER 214 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bk4 h SER 214 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bk4 h SER 214 CO 0.00 0.01 0.01 1.23 -0.87 0.00 0.00 176.83 177.21 2bk4 h GLY 215 N 3.17 0.00 1.98 -0.77 0.00 -1.88 -1.90 103.07 103.67 2bk4 h GLY 215 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bk4 h GLY 215 CO 0.00 0.00 0.01 1.46 0.00 0.00 0.00 176.54 178.01 2bk4 h GLN 216 N 0.00 0.00 0.47 4.80 4.20 -1.86 -1.86 115.11 120.86 2bk4 h GLN 216 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2bk4 h GLN 216 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2bk4 h GLN 216 CO -0.00 0.00 -0.22 0.28 -0.67 0.00 0.00 178.83 178.22 2bk4 h VAL 217 N 0.00 0.54 -0.51 -0.54 2.07 -1.59 0.18 116.25 116.40 2bk4 h VAL 217 Ca 0.00 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 2bk4 h VAL 217 Cb 0.01 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2bk4 h VAL 217 CO -0.00 0.02 -0.10 0.28 0.02 0.00 0.00 177.57 177.79 2bk4 h SER 218 N -0.69 0.94 -0.13 0.57 0.02 -1.70 -2.54 113.55 110.01 2bk4 h SER 218 Ca -0.06 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2bk4 h SER 218 Cb 0.51 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2bk4 h SER 218 CO 0.11 1.05 0.09 -0.33 -1.14 0.00 0.00 176.83 176.60 2bk4 h GLU 219 N 0.84 0.18 -0.06 3.45 5.08 -1.29 -1.16 114.58 121.63 2bk4 h GLU 219 Ca 0.14 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2bk4 h GLU 219 Cb 0.64 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2bk4 h GLU 219 CO 0.04 0.14 -0.42 0.00 -1.00 0.00 0.00 179.01 177.77 2bk4 h ARG 220 N 0.16 0.14 -0.46 2.33 3.08 -0.92 -0.85 114.38 117.86 2bk4 h ARG 220 Ca 0.05 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2bk4 h ARG 220 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2bk4 h ARG 220 CO -0.01 0.54 -0.12 0.82 -1.07 0.00 0.00 179.97 180.13 2bk4 h ILE 221 N 0.12 1.27 -0.76 2.04 2.04 -1.30 -2.14 117.51 118.78 2bk4 h ILE 221 Ca 0.01 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.69 2bk4 h ILE 221 Cb 0.80 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2bk4 h ILE 221 CO 0.06 0.43 0.44 -0.03 0.00 0.00 0.00 178.15 179.05 2bk4 h MET 222 N 0.74 0.77 -0.75 2.37 4.05 -0.69 -1.06 114.93 120.35 2bk4 h MET 222 Ca 0.12 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.56 2bk4 h MET 222 Cb 0.67 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 31.23 2bk4 h MET 222 CO 0.05 0.51 0.43 -0.44 0.23 0.00 0.00 176.91 177.68 2bk4 h ASP 223 N 0.79 0.63 0.08 1.39 3.32 -0.98 -0.61 116.42 121.04 2bk4 h ASP 223 Ca 0.34 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 2bk4 h ASP 223 Cb 0.22 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2bk4 h ASP 223 CO -0.19 0.39 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.40 2bk4 h LEU 224 N 0.77 0.29 0.00 1.55 3.38 -0.66 -3.17 115.31 117.46 2bk4 h LEU 224 Ca 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2bk4 h LEU 224 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2bk4 h LEU 224 CO -0.20 0.54 -0.81 -0.07 0.09 0.00 0.00 178.44 177.99 2bk4 h LEU 225 N 0.26 0.00 0.00 1.67 3.38 -0.66 -3.50 115.31 116.46 2bk4 h LEU 225 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2bk4 h LEU 225 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2bk4 h LEU 225 CO 0.04 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2bk4 n GLY 226 N 1.25 3.07 0.00 0.83 0.00 -0.29 -2.63 105.19 107.42 2bk4 n GLY 226 Ca 0.02 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2bk4 n GLY 226 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bk4 n ASP 227 N 5.56 0.00 0.26 1.61 5.75 -1.26 -3.21 116.55 125.26 2bk4 n ASP 227 Ca 0.00 -1.07 0.17 0.00 -0.01 0.00 0.00 54.79 53.87 2bk4 n ASP 227 Cb 0.00 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 40.74 2bk4 n ASP 227 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2bk4 h ARG 228 N 0.00 0.00 -5.48 0.11 3.08 -1.82 -3.41 114.38 106.86 2bk4 h ARG 228 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2bk4 h ARG 228 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 2bk4 h ARG 228 CO 0.00 0.00 0.08 0.08 -1.07 0.00 0.00 179.97 179.06 2bk4 s VAL 229 N -3.61 5.03 -0.36 2.04 1.01 -1.20 -1.00 120.40 122.31 2bk4 s VAL 229 Ca 0.02 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.95 2bk4 s VAL 229 Cb 0.09 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2bk4 s VAL 229 CO 0.53 0.07 0.16 -0.54 0.00 0.00 0.00 175.10 175.32 2bk4 s LYS 230 N 2.26 2.66 0.36 2.72 -0.14 0.54 -4.96 119.74 123.19 2bk4 s LYS 230 Ca 0.25 -1.21 -0.12 0.00 -1.36 0.00 0.00 55.97 53.52 2bk4 s LYS 230 Cb -0.16 -3.59 -0.08 0.00 -1.68 0.00 0.00 37.83 32.32 2bk4 s LYS 230 CO 0.09 -0.73 0.74 -0.51 -0.76 0.00 0.00 175.35 174.18 2bk4 s LEU 231 N 1.44 3.94 -1.38 3.17 1.43 -1.26 -1.32 118.68 124.71 2bk4 s LEU 231 Ca 0.00 1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 54.20 2bk4 s LEU 231 Cb -0.20 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 42.02 2bk4 s LEU 231 CO 0.04 -0.30 1.05 -0.62 0.23 0.00 0.00 176.35 176.75 2bk4 n GLU 232 N -0.85 -6.80 -3.50 1.70 1.02 -0.14 -4.93 120.64 107.15 2bk4 n GLU 232 Ca 0.03 0.75 -0.27 0.00 -0.02 0.00 0.00 57.16 57.64 2bk4 n GLU 232 Cb 0.54 -5.70 -0.09 0.00 -0.02 0.00 0.00 31.44 26.17 2bk4 n GLU 232 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bk4 n ARG 233 N -4.72 2.22 -2.07 3.49 3.00 0.25 -4.78 116.66 114.05 2bk4 n ARG 233 Ca -0.06 -4.50 -0.42 0.00 -0.01 0.00 0.00 57.85 52.86 2bk4 n ARG 233 Cb 0.58 -2.17 -0.03 0.00 0.00 0.00 0.00 32.46 30.84 2bk4 n ARG 233 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2bk4 s PRO 234 N -2.14 4.26 0.13 5.56 0.02 -1.26 -3.80 135.00 137.77 2bk4 s PRO 234 Ca 0.37 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 2bk4 s PRO 234 Cb 0.11 -3.37 -0.07 0.00 0.02 0.00 0.00 34.50 31.19 2bk4 s PRO 234 CO -0.05 -0.57 1.15 0.08 -0.33 0.00 0.00 177.00 177.28 2bk4 s VAL 235 N 1.73 3.89 -0.01 3.83 1.01 -1.26 -0.47 120.40 129.12 2bk4 s VAL 235 Ca 0.68 1.51 0.03 0.00 0.00 0.00 0.00 61.98 64.20 2bk4 s VAL 235 Cb -0.38 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2bk4 s VAL 235 CO 0.30 0.20 0.07 2.30 0.00 0.00 0.00 175.10 177.97 2bk4 n ILE 236 N 3.00 0.00 -3.66 2.22 -5.35 -0.19 -4.57 119.36 110.81 2bk4 n ILE 236 Ca 0.05 -0.08 -0.08 0.00 -0.27 0.00 0.00 62.75 62.37 2bk4 n ILE 236 Cb 0.46 0.44 -0.08 0.00 -1.74 0.00 0.00 39.64 38.72 2bk4 n ILE 236 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2bk4 s TYR 237 N -2.19 -0.90 -0.09 4.28 5.04 -1.16 -0.64 117.35 121.68 2bk4 s TYR 237 Ca -0.01 1.81 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 2bk4 s TYR 237 Cb 0.02 0.50 0.01 0.00 0.35 0.00 0.00 41.96 42.84 2bk4 s TYR 237 CO 0.13 -0.47 -0.16 0.42 -1.34 0.00 0.00 175.55 174.14 2bk4 s ILE 238 N 1.64 1.49 -0.19 3.14 1.01 -0.73 -0.93 121.20 126.62 2bk4 s ILE 238 Ca -0.09 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2bk4 s ILE 238 Cb -0.07 -1.34 0.04 0.00 0.01 0.00 0.00 42.46 41.10 2bk4 s ILE 238 CO -0.17 0.44 -0.13 -0.62 0.00 0.00 0.00 174.94 174.46 2bk4 s ASP 239 N 0.75 3.32 -0.17 3.58 -1.08 0.12 -1.33 116.67 121.85 2bk4 s ASP 239 Ca -0.12 -0.82 0.17 0.00 -0.52 0.00 0.00 52.55 51.26 2bk4 s ASP 239 Cb -0.16 -1.30 0.49 0.00 -1.46 0.00 0.00 42.92 40.49 2bk4 s ASP 239 CO 0.02 -0.11 1.38 0.00 0.52 0.00 0.00 175.17 176.98 2bk4 n GLN 240 N 4.66 2.62 0.05 4.34 6.02 0.80 -1.08 117.38 134.79 2bk4 n GLN 240 Ca -0.16 -2.81 0.13 0.00 -0.01 0.00 0.00 57.00 54.15 2bk4 n GLN 240 Cb 0.47 -1.79 0.51 0.00 1.02 0.00 0.00 30.24 30.46 2bk4 n GLN 240 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2bk4 n THR 241 N -0.69 0.33 -4.56 5.09 -2.24 -1.26 -4.86 114.28 106.09 2bk4 n THR 241 Ca 0.21 -0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.59 2bk4 n THR 241 Cb 0.85 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 2bk4 n THR 241 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2bk4 s ARG 242 N -3.05 2.23 0.17 -0.78 0.52 -1.26 -5.05 118.95 111.72 2bk4 s ARG 242 Ca 0.12 -2.34 -0.14 0.00 -0.52 0.00 0.00 55.73 52.84 2bk4 s ARG 242 Cb 0.15 -1.66 0.14 0.00 0.52 0.00 0.00 34.95 34.10 2bk4 s ARG 242 CO 0.53 -0.46 1.73 1.49 0.02 0.00 0.00 175.30 178.61 2bk4 h GLU 243 N 1.16 0.24 -6.10 3.54 4.81 -1.98 -3.41 114.58 112.83 2bk4 h GLU 243 Ca -0.42 -0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.14 2bk4 h GLU 243 Cb 1.32 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.54 2bk4 h GLU 243 CO 0.69 0.16 -0.61 -0.80 -0.73 0.00 0.00 179.01 177.72 2bk4 s ASN 244 N -5.33 5.44 0.15 1.04 0.01 -1.26 -4.99 114.94 110.01 2bk4 s ASN 244 Ca -0.13 0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 2bk4 s ASN 244 Cb 0.14 -1.49 -0.07 0.00 0.41 0.00 0.00 41.25 40.24 2bk4 s ASN 244 CO 0.72 0.25 1.16 -0.69 -1.51 0.00 0.00 177.10 177.03 2bk4 s VAL 245 N -1.20 3.78 -0.20 1.60 1.01 0.83 -4.85 120.40 121.37 2bk4 s VAL 245 Ca 0.23 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.60 2bk4 s VAL 245 Cb -0.12 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2bk4 s VAL 245 CO 0.14 0.21 0.04 -0.76 0.00 0.00 0.00 175.10 174.73 2bk4 s LEU 246 N 0.02 3.52 -0.17 3.92 1.43 -0.24 -1.21 118.68 125.96 2bk4 s LEU 246 Ca 0.53 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 2bk4 s LEU 246 Cb -0.31 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.03 2bk4 s LEU 246 CO 0.34 0.09 -0.20 -0.69 0.23 0.00 0.00 176.35 176.13 2bk4 s VAL 247 N 0.86 1.98 -0.04 -1.59 1.01 0.72 -0.70 120.40 122.64 2bk4 s VAL 247 Ca 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2bk4 s VAL 247 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2bk4 s VAL 247 CO 0.02 0.53 -0.04 -0.70 0.00 0.00 0.00 175.10 174.91 2bk4 s GLU 248 N 1.20 2.74 0.32 2.72 2.12 -0.10 -0.25 118.70 127.44 2bk4 s GLU 248 Ca 0.02 -0.59 0.07 0.00 0.36 0.00 0.00 54.97 54.84 2bk4 s GLU 248 Cb -0.14 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 2bk4 s GLU 248 CO -0.10 0.65 0.31 0.95 -0.54 0.00 0.00 175.26 176.52 2bk4 s THR 249 N -0.93 3.82 0.29 -1.70 -4.23 -0.60 -1.02 115.64 111.27 2bk4 s THR 249 Ca 0.15 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 2bk4 s THR 249 Cb -0.11 -3.28 0.26 0.00 1.34 0.00 0.00 72.50 70.71 2bk4 s THR 249 CO 0.05 -0.21 1.96 0.25 -0.54 0.00 0.00 174.62 176.13 2bk4 h LEU 250 N 1.23 1.00 -0.71 4.79 5.85 -1.10 -1.46 115.31 124.92 2bk4 h LEU 250 Ca -0.46 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2bk4 h LEU 250 Cb 1.25 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2bk4 h LEU 250 CO 0.58 0.72 0.00 -0.46 -0.34 0.00 0.00 178.44 178.94 2bk4 n ASN 251 N -4.41 0.63 -1.29 1.25 2.04 -1.26 -4.87 115.26 107.35 2bk4 n ASN 251 Ca 0.10 -1.78 -0.13 0.00 -0.44 0.00 0.00 54.58 52.33 2bk4 n ASN 251 Cb 0.03 -0.32 -0.02 0.00 -2.53 0.00 0.00 39.78 36.94 2bk4 n ASN 251 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 2bk4 n HIS 252 N -0.11 -0.42 -3.31 -2.53 8.25 -0.55 -5.04 115.22 111.52 2bk4 n HIS 252 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2bk4 n HIS 252 Cb 0.16 -2.64 -0.06 0.00 1.12 0.00 0.00 29.99 28.57 2bk4 n HIS 252 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2bk4 s GLU 253 N -4.16 3.96 -0.12 -0.41 2.02 -1.26 -4.90 118.70 113.83 2bk4 s GLU 253 Ca 0.00 0.49 0.01 0.00 0.02 0.00 0.00 54.97 55.49 2bk4 s GLU 253 Cb 0.00 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2bk4 s GLU 253 CO 0.00 0.36 -0.14 -1.64 0.02 0.00 0.00 175.26 173.87 2bk4 s MET 254 N -2.41 3.23 -0.02 1.61 -1.94 -1.26 -1.55 119.30 116.96 2bk4 s MET 254 Ca 0.44 -0.70 0.07 0.00 -1.71 0.00 0.00 55.69 53.80 2bk4 s MET 254 Cb -0.13 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 2bk4 s MET 254 CO 0.20 0.28 -0.25 0.71 -0.01 0.00 0.00 175.02 175.95 2bk4 s TYR 255 N 0.18 2.23 -0.10 -0.03 1.51 0.65 -4.09 117.35 117.69 2bk4 s TYR 255 Ca -0.08 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 2bk4 s TYR 255 Cb -0.15 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 2bk4 s TYR 255 CO 0.05 -0.06 -0.24 -2.00 -1.11 0.00 0.00 175.55 172.19 2bk4 s GLU 256 N -0.52 3.05 0.11 -0.62 2.12 0.16 -0.20 118.70 122.80 2bk4 s GLU 256 Ca 0.08 -0.88 -0.07 0.00 0.36 0.00 0.00 54.97 54.46 2bk4 s GLU 256 Cb -0.10 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 2bk4 s GLU 256 CO -0.00 0.16 0.18 0.00 -0.54 0.00 0.00 175.26 175.05 2bk4 s ALA 257 N 0.39 0.06 0.10 6.30 0.00 -0.35 -0.80 121.76 127.47 2bk4 s ALA 257 Ca -0.18 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 2bk4 s ALA 257 Cb -0.18 0.62 -0.19 0.00 0.00 0.00 0.00 23.12 23.37 2bk4 s ALA 257 CO 0.08 -0.53 1.22 0.87 0.00 0.00 0.00 175.76 177.40 2bk4 h LYS 258 N 2.75 0.42 -4.15 0.00 1.57 -1.30 0.24 116.57 116.10 2bk4 h LYS 258 Ca -0.33 -0.53 -0.14 0.00 -1.87 0.00 0.00 60.65 57.78 2bk4 h LYS 258 Cb 1.20 0.17 -0.14 0.00 0.08 0.00 0.00 32.23 33.54 2bk4 h LYS 258 CO 0.55 1.20 -0.52 0.71 -0.57 0.00 0.00 179.45 180.82 2bk4 s TYR 259 N -3.05 0.56 -0.02 -1.35 1.51 -0.99 -4.66 117.35 109.36 2bk4 s TYR 259 Ca -0.06 -0.97 0.03 0.00 -1.01 0.00 0.00 57.07 55.06 2bk4 s TYR 259 Cb 0.08 -0.28 -0.00 0.00 -0.11 0.00 0.00 41.96 41.64 2bk4 s TYR 259 CO 0.89 -0.56 -0.11 0.08 -1.11 0.00 0.00 175.55 174.74 2bk4 s VAL 260 N -3.97 0.90 -0.22 0.71 1.01 -0.51 -2.21 120.40 116.11 2bk4 s VAL 260 Ca 0.16 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2bk4 s VAL 260 Cb 0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2bk4 s VAL 260 CO -0.03 0.26 0.01 -0.63 0.00 0.00 0.00 175.10 174.72 2bk4 s ILE 261 N -0.07 3.93 -0.53 2.22 1.01 -0.17 -0.46 121.20 127.14 2bk4 s ILE 261 Ca 0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 2bk4 s ILE 261 Cb -0.06 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.65 2bk4 s ILE 261 CO 0.00 0.40 0.82 -0.55 0.00 0.00 0.00 174.94 175.61 2bk4 s SER 262 N 1.25 6.31 -0.43 3.58 0.15 -0.05 -0.35 113.70 124.16 2bk4 s SER 262 Ca 0.04 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.21 2bk4 s SER 262 Cb -0.15 -2.38 0.46 0.00 -1.71 0.00 0.00 66.02 62.24 2bk4 s SER 262 CO 0.01 -1.08 1.52 0.00 1.20 0.00 0.00 173.24 174.89 2bk4 n ALA 263 N 6.96 5.46 -2.52 5.45 0.00 0.08 -1.50 120.51 134.43 2bk4 n ALA 263 Ca -0.01 -3.63 -0.25 0.00 0.00 0.00 0.00 53.44 49.56 2bk4 n ALA 263 Cb 0.47 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 2bk4 n ALA 263 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bk4 s ILE 264 N -4.58 2.78 0.26 0.00 -4.36 -1.25 -4.53 121.20 109.52 2bk4 s ILE 264 Ca 0.56 -2.11 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 2bk4 s ILE 264 Cb 0.45 -2.43 -0.14 0.00 1.25 0.00 0.00 42.46 41.58 2bk4 s ILE 264 CO 0.02 -0.29 1.05 -2.65 0.24 0.00 0.00 174.94 173.31 2bk4 n PRO 265 N -0.41 1.31 -0.23 0.37 -0.02 -1.26 -4.83 135.00 129.93 2bk4 n PRO 265 Ca -0.08 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 2bk4 n PRO 265 Cb 0.58 -1.86 0.10 0.00 -0.02 0.00 0.00 33.50 32.30 2bk4 n PRO 265 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2bk4 h PRO 266 N 2.38 0.04 0.00 0.52 0.11 -1.94 0.06 132.00 133.17 2bk4 h PRO 266 Ca -0.40 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 2bk4 h PRO 266 Cb 1.34 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 2bk4 h PRO 266 CO 0.63 0.03 -0.08 0.00 -0.21 0.00 0.00 178.00 178.37 2bk4 h THR 267 N 0.04 0.93 0.00 -1.15 1.03 -1.76 -2.03 112.91 109.98 2bk4 h THR 267 Ca 0.35 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.48 2bk4 h THR 267 Cb 0.57 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 2bk4 h THR 267 CO -0.67 0.08 0.00 0.18 -0.01 0.00 0.00 175.52 175.10 2bk4 n LEU 268 N -4.27 0.00 0.23 0.00 4.77 0.00 -1.52 117.00 116.21 2bk4 n LEU 268 Ca -0.03 0.49 0.18 0.00 -0.03 0.00 0.00 56.01 56.62 2bk4 n LEU 268 Cb 0.16 -0.49 0.86 0.00 -2.33 0.00 0.00 43.42 41.62 2bk4 n LEU 268 CO 0.33 -0.23 1.15 1.23 -1.33 0.00 0.00 177.39 178.54 2bk4 h GLY 269 N 2.60 0.00 2.00 -0.72 0.00 -1.39 -2.16 103.07 103.41 2bk4 h GLY 269 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2bk4 h GLY 269 CO 0.00 0.00 -0.05 -0.33 0.00 0.00 0.00 176.54 176.16 2bk4 h MET 270 N 0.00 0.00 0.00 4.80 2.86 -1.48 -2.33 114.93 118.77 2bk4 h MET 270 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2bk4 h MET 270 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2bk4 h MET 270 CO -0.00 0.05 0.00 1.63 1.06 0.00 0.00 176.91 179.65 2bk4 n LYS 271 N -3.59 0.48 -4.46 1.72 5.02 -0.81 -4.70 118.16 111.82 2bk4 n LYS 271 Ca -0.02 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 2bk4 n LYS 271 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 2bk4 n LYS 271 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bk4 s ILE 272 N -2.44 3.91 -0.15 -0.18 1.01 -0.88 -4.59 121.20 117.89 2bk4 s ILE 272 Ca 0.28 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 2bk4 s ILE 272 Cb 0.18 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2bk4 s ILE 272 CO 0.38 0.54 0.46 -1.00 0.00 0.00 0.00 174.94 175.32 2bk4 s HIS 273 N -0.16 3.47 -0.07 3.97 3.76 0.18 -4.94 115.29 121.50 2bk4 s HIS 273 Ca 0.03 0.82 -0.01 0.00 -0.15 0.00 0.00 55.06 55.75 2bk4 s HIS 273 Cb -0.13 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 30.97 2bk4 s HIS 273 CO 0.02 0.10 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.95 2bk4 s PHE 274 N 0.88 3.13 -0.11 1.40 0.40 -1.26 -1.77 117.98 120.64 2bk4 s PHE 274 Ca 0.24 0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.72 2bk4 s PHE 274 Cb -0.15 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.65 2bk4 s PHE 274 CO 0.09 0.46 0.01 1.21 0.70 0.00 0.00 175.22 177.69 2bk4 s ASN 275 N -0.95 1.96 1.03 1.36 2.47 -0.44 -3.59 114.94 116.79 2bk4 s ASN 275 Ca 0.14 -0.30 -0.12 0.00 0.42 0.00 0.00 52.86 53.00 2bk4 s ASN 275 Cb -0.11 -0.48 0.21 0.00 -1.45 0.00 0.00 41.25 39.42 2bk4 s ASN 275 CO 0.03 -0.23 1.08 -2.16 -3.72 0.00 0.00 177.10 172.10 2bk4 s PRO 276 N 1.95 0.16 0.71 0.43 0.04 -1.26 -0.14 135.00 136.88 2bk4 s PRO 276 Ca 0.03 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 2bk4 s PRO 276 Cb -0.14 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 2bk4 s PRO 276 CO -0.06 -2.93 0.97 -2.30 0.04 0.00 0.00 177.00 172.72 2bk4 n PRO 277 N -4.32 0.56 -1.38 0.56 -0.02 -1.24 -4.95 135.00 124.22 2bk4 n PRO 277 Ca 0.05 0.25 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 2bk4 n PRO 277 Cb 0.57 -2.22 0.10 0.00 -0.02 0.00 0.00 33.50 31.93 2bk4 n PRO 277 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bk4 s LEU 278 N -3.01 3.32 0.74 2.45 1.43 -1.26 -4.97 118.68 117.38 2bk4 s LEU 278 Ca 0.74 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 56.15 2bk4 s LEU 278 Cb -0.35 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.30 2bk4 s LEU 278 CO 0.50 -2.39 1.11 -2.65 0.23 0.00 0.00 176.35 173.15 2bk4 n PRO 279 N -2.73 0.51 -0.24 1.29 -0.02 -1.26 -4.66 135.00 127.88 2bk4 n PRO 279 Ca 0.14 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 2bk4 n PRO 279 Cb 0.50 -2.36 0.16 0.00 -0.02 0.00 0.00 33.50 31.78 2bk4 n PRO 279 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2bk4 h MET 280 N -0.34 0.21 -0.31 -0.52 1.85 -1.99 -0.96 114.93 112.88 2bk4 h MET 280 Ca -0.48 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 58.57 2bk4 h MET 280 Cb 1.32 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.29 2bk4 h MET 280 CO 0.48 0.14 0.06 0.52 -0.40 0.00 0.00 176.91 177.71 2bk4 h MET 281 N 0.22 0.51 -0.52 0.39 2.86 -2.00 -2.16 114.93 114.22 2bk4 h MET 281 Ca 0.40 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.80 2bk4 h MET 281 Cb 0.68 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2bk4 h MET 281 CO -0.53 0.59 -0.12 -0.09 1.06 0.00 0.00 176.91 177.82 2bk4 h ARG 282 N 0.34 1.00 -0.71 1.72 2.43 -1.85 -0.16 114.38 117.15 2bk4 h ARG 282 Ca 0.10 -0.38 0.16 0.00 -0.81 0.00 0.00 59.98 59.05 2bk4 h ARG 282 Cb 0.32 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.69 2bk4 h ARG 282 CO 0.00 1.06 0.08 -0.97 -1.51 0.00 0.00 179.97 178.63 2bk4 h ASN 283 N 0.87 -0.18 0.47 -3.80 -1.24 -0.99 -2.25 115.58 108.45 2bk4 h ASN 283 Ca 0.13 0.17 -0.30 0.00 0.71 0.00 0.00 56.30 57.00 2bk4 h ASN 283 Cb 0.68 0.27 0.01 0.00 0.73 0.00 0.00 38.32 40.01 2bk4 h ASN 283 CO 0.05 -0.11 -1.43 1.56 -1.29 0.00 0.00 177.43 176.21 2bk4 h GLN 284 N 0.17 0.32 -0.73 6.67 4.20 -1.32 -3.35 115.11 121.07 2bk4 h GLN 284 Ca 0.39 -0.55 0.12 0.00 0.06 0.00 0.00 58.65 58.67 2bk4 h GLN 284 Cb 0.68 0.20 -0.08 0.00 0.30 0.00 0.00 27.48 28.58 2bk4 h GLN 284 CO -0.57 1.23 0.32 1.98 -0.67 0.00 0.00 178.83 181.12 2bk4 h MET 285 N 0.09 0.49 0.00 1.46 4.05 -0.54 -1.98 114.93 118.50 2bk4 h MET 285 Ca -0.21 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 2bk4 h MET 285 Cb 2.04 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.72 2bk4 h MET 285 CO 0.20 0.33 0.00 0.44 0.23 0.00 0.00 176.91 178.11 2bk4 n ILE 286 N -4.94 0.32 0.75 1.77 -5.35 -0.89 -1.27 119.36 109.75 2bk4 n ILE 286 Ca 0.13 0.08 0.09 0.00 -0.27 0.00 0.00 62.75 62.77 2bk4 n ILE 286 Cb 0.35 -0.83 0.06 0.00 -1.74 0.00 0.00 39.64 37.48 2bk4 n ILE 286 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2bk4 n THR 287 N -1.16 0.00 -0.03 7.28 -2.24 -0.75 -4.34 114.28 113.04 2bk4 n THR 287 Ca 0.09 -0.47 0.03 0.00 -2.27 0.00 0.00 64.05 61.43 2bk4 n THR 287 Cb 0.09 1.35 0.06 0.00 -2.10 0.00 0.00 70.33 69.73 2bk4 n THR 287 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bk4 n ARG 288 N 0.83 2.39 -3.44 -0.78 1.74 -0.39 -4.89 116.66 112.12 2bk4 n ARG 288 Ca 0.10 -1.60 -0.26 0.00 -0.77 0.00 0.00 57.85 55.32 2bk4 n ARG 288 Cb 0.43 -1.12 -0.09 0.00 -1.02 0.00 0.00 32.46 30.66 2bk4 n ARG 288 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2bk4 n VAL 289 N 0.04 -0.05 -1.51 1.55 0.24 -1.24 -4.52 118.33 112.84 2bk4 n VAL 289 Ca 0.05 -4.10 -0.30 0.00 -2.04 0.00 0.00 64.34 57.94 2bk4 n VAL 289 Cb 0.30 -1.90 0.09 0.00 -1.47 0.00 0.00 33.84 30.86 2bk4 n VAL 289 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2bk4 s PRO 290 N -0.92 2.21 0.17 7.34 0.04 -1.25 -4.32 135.00 138.28 2bk4 s PRO 290 Ca 0.33 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.16 2bk4 s PRO 290 Cb 0.07 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2bk4 s PRO 290 CO -0.14 -1.56 0.27 -0.51 0.04 0.00 0.00 177.00 175.09 2bk4 s LEU 291 N -5.77 4.21 0.00 -3.56 1.02 -1.26 -0.81 118.68 112.50 2bk4 s LEU 291 Ca 0.60 0.07 -0.14 0.00 0.02 0.00 0.00 54.13 54.69 2bk4 s LEU 291 Cb -0.15 -2.78 0.20 0.00 0.02 0.00 0.00 46.19 43.49 2bk4 s LEU 291 CO 0.55 0.03 0.79 0.61 0.02 0.00 0.00 176.35 178.35 2bk4 n GLY 292 N -0.71 -2.45 3.04 -3.19 0.00 -0.80 -4.77 105.19 96.30 2bk4 n GLY 292 Ca -0.08 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 2bk4 n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk4 s SER 293 N -3.72 2.38 -0.16 1.61 0.01 -0.46 -2.25 113.70 111.11 2bk4 s SER 293 Ca 0.50 -0.41 -0.22 0.00 1.31 0.00 0.00 55.95 57.13 2bk4 s SER 293 Cb -0.04 -1.06 0.06 0.00 0.21 0.00 0.00 66.02 65.19 2bk4 s SER 293 CO 0.38 0.01 0.58 0.54 0.41 0.00 0.00 173.24 175.16 2bk4 s VAL 294 N 1.01 0.01 -0.16 3.43 0.11 -1.26 -0.70 120.40 122.83 2bk4 s VAL 294 Ca -0.06 -0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2bk4 s VAL 294 Cb -0.15 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2bk4 s VAL 294 CO -0.02 -0.03 -0.13 -0.63 -3.33 0.00 0.00 175.10 170.96 2bk4 s ILE 295 N -0.20 2.82 -0.24 7.04 1.01 -0.64 -2.12 121.20 128.88 2bk4 s ILE 295 Ca -0.04 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 2bk4 s ILE 295 Cb -0.03 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 2bk4 s ILE 295 CO 0.03 0.50 0.26 -0.75 0.00 0.00 0.00 174.94 174.98 2bk4 s LYS 296 N 0.85 4.07 -0.07 2.79 2.20 -0.51 -0.96 119.74 128.12 2bk4 s LYS 296 Ca -0.04 -0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 2bk4 s LYS 296 Cb -0.15 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2bk4 s LYS 296 CO -0.00 -0.05 -0.17 0.00 -0.36 0.00 0.00 175.35 174.77 2bk4 s ILE 298 N 0.40 1.61 -0.22 0.00 1.09 0.10 -0.85 121.20 123.33 2bk4 s ILE 298 Ca -0.13 -0.94 -0.10 0.00 -1.10 0.00 0.00 60.65 58.39 2bk4 s ILE 298 Cb -0.15 -1.67 -0.05 0.00 -1.06 0.00 0.00 42.46 39.53 2bk4 s ILE 298 CO 0.05 0.21 0.14 -0.69 -0.10 0.00 0.00 174.94 174.55 2bk4 s VAL 299 N 1.42 5.25 -0.06 2.92 1.01 -0.49 -1.33 120.40 129.12 2bk4 s VAL 299 Ca -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2bk4 s VAL 299 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2bk4 s VAL 299 CO -0.09 0.38 0.16 -0.31 0.00 0.00 0.00 175.10 175.25 2bk4 s TYR 300 N 0.83 3.56 0.19 5.22 1.51 -0.23 -1.04 117.35 127.39 2bk4 s TYR 300 Ca 0.07 0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.59 2bk4 s TYR 300 Cb -0.13 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2bk4 s TYR 300 CO 0.02 0.68 -0.04 0.71 -1.11 0.00 0.00 175.55 175.82 2bk4 s TYR 301 N -1.20 1.39 0.23 2.71 1.51 -0.05 -0.23 117.35 121.72 2bk4 s TYR 301 Ca 0.22 -0.88 -0.06 0.00 -1.01 0.00 0.00 57.07 55.34 2bk4 s TYR 301 Cb -0.12 -0.77 0.21 0.00 -0.11 0.00 0.00 41.96 41.17 2bk4 s TYR 301 CO 0.12 -0.03 1.76 -0.22 -1.11 0.00 0.00 175.55 176.08 2bk4 h LYS 302 N 2.62 1.06 -3.99 -0.62 3.64 -1.85 -3.32 116.57 114.12 2bk4 h LYS 302 Ca -0.37 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 58.66 2bk4 h LYS 302 Cb 1.21 -0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 32.72 2bk4 h LYS 302 CO 0.64 0.92 -0.56 -1.21 -2.27 0.00 0.00 179.45 176.97 2bk4 s GLU 303 N -5.33 0.64 -1.38 1.90 2.02 -1.26 -4.70 118.70 110.59 2bk4 s GLU 303 Ca -0.11 -0.99 -0.14 0.00 0.02 0.00 0.00 54.97 53.75 2bk4 s GLU 303 Cb 0.15 0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.60 2bk4 s GLU 303 CO 0.83 -0.16 2.34 -0.35 0.02 0.00 0.00 175.26 177.95 2bk4 n PRO 304 N 0.34 2.82 0.20 0.39 -0.04 -1.26 -4.76 135.00 132.69 2bk4 n PRO 304 Ca -0.16 -2.35 0.14 0.00 -0.04 0.00 0.00 63.50 61.08 2bk4 n PRO 304 Cb 0.60 -3.09 0.74 0.00 -0.04 0.00 0.00 33.50 31.71 2bk4 n PRO 304 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2bk4 h PHE 305 N 6.05 0.00 -0.57 0.54 -0.00 -1.98 -1.92 116.94 119.06 2bk4 h PHE 305 Ca 0.61 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.63 2bk4 h PHE 305 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.46 2bk4 h PHE 305 CO 1.55 0.00 0.38 0.11 -0.00 0.00 0.00 178.31 180.35 2bk4 h TRP 306 N 0.00 0.60 -0.50 6.09 0.09 -1.85 -2.06 115.95 118.31 2bk4 h TRP 306 Ca 0.07 0.01 0.01 0.00 0.09 0.00 0.00 58.89 59.08 2bk4 h TRP 306 Cb 0.32 -0.20 -0.03 0.00 0.08 0.00 0.00 29.16 29.34 2bk4 h TRP 306 CO 0.00 0.34 0.33 0.00 0.09 0.00 0.00 178.44 179.20 2bk4 h ARG 307 N 0.61 0.63 0.00 0.12 3.08 -1.11 -1.59 114.38 116.11 2bk4 h ARG 307 Ca 0.24 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2bk4 h ARG 307 Cb 0.17 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2bk4 h ARG 307 CO -0.07 0.42 -0.13 0.87 -1.07 0.00 0.00 179.97 179.99 2bk4 h LYS 308 N 0.65 0.00 -0.55 0.04 1.57 -1.54 -0.69 116.57 116.05 2bk4 h LYS 308 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2bk4 h LYS 308 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2bk4 h LYS 308 CO -0.04 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.60 2bk4 n LYS 309 N -3.80 2.49 -3.35 3.15 5.02 -0.77 -4.93 118.16 115.98 2bk4 n LYS 309 Ca -0.02 -1.88 -0.20 0.00 -2.02 0.00 0.00 58.31 54.19 2bk4 n LYS 309 Cb 0.23 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2bk4 n LYS 309 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bk4 n ASP 310 N 0.85 -5.65 -4.39 4.39 2.03 -0.27 -5.00 116.55 108.50 2bk4 n ASP 310 Ca 0.17 -0.42 -0.33 0.00 0.52 0.00 0.00 54.79 54.73 2bk4 n ASP 310 Cb 0.53 -4.30 -0.14 0.00 -0.72 0.00 0.00 41.12 36.49 2bk4 n ASP 310 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2bk4 s TYR 311 N -3.24 2.74 -0.29 -0.67 4.12 -0.67 -1.69 117.35 117.64 2bk4 s TYR 311 Ca 0.46 -0.51 0.22 0.00 0.02 0.00 0.00 57.07 57.26 2bk4 s TYR 311 Cb -0.20 -1.75 0.41 0.00 -1.52 0.00 0.00 41.96 38.89 2bk4 s TYR 311 CO 0.57 -0.09 1.62 0.00 0.02 0.00 0.00 175.55 177.67 2bk4 n GLY 313 N 0.97 1.51 3.70 0.00 0.00 -1.26 -4.37 105.19 105.74 2bk4 n GLY 313 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2bk4 n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bk4 s THR 314 N -2.05 4.29 -0.05 2.61 2.01 -1.26 -3.85 115.64 117.34 2bk4 s THR 314 Ca 0.00 1.63 0.01 0.00 0.31 0.00 0.00 61.69 63.64 2bk4 s THR 314 Cb 0.00 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.49 2bk4 s THR 314 CO 0.00 0.05 -0.05 -0.04 -0.69 0.00 0.00 174.62 173.88 2bk4 s MET 315 N 1.77 0.98 -0.31 4.92 1.00 -1.13 -1.74 119.30 124.79 2bk4 s MET 315 Ca 0.56 -0.14 -0.06 0.00 0.00 0.00 0.00 55.69 56.04 2bk4 s MET 315 Cb -0.25 -0.97 0.03 0.00 0.00 0.00 0.00 34.83 33.63 2bk4 s MET 315 CO 0.24 -0.09 0.07 0.42 0.00 0.00 0.00 175.02 175.67 2bk4 s ILE 316 N 0.99 3.72 -0.28 2.53 1.01 0.26 -1.48 121.20 127.95 2bk4 s ILE 316 Ca -0.10 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.60 2bk4 s ILE 316 Cb -0.14 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.37 2bk4 s ILE 316 CO -0.00 -0.05 -0.06 -0.63 0.00 0.00 0.00 174.94 174.20 2bk4 s ILE 317 N 1.42 2.29 0.46 2.92 1.01 0.21 -0.48 121.20 129.02 2bk4 s ILE 317 Ca -0.00 -1.77 -0.20 0.00 0.00 0.00 0.00 60.65 58.67 2bk4 s ILE 317 Cb -0.18 -2.42 -0.10 0.00 0.01 0.00 0.00 42.46 39.76 2bk4 s ILE 317 CO 0.02 -0.17 0.98 -1.81 0.00 0.00 0.00 174.94 173.96 2bk4 s ASP 318 N 1.09 6.73 0.00 3.58 1.01 -0.58 -4.42 116.67 124.07 2bk4 s ASP 318 Ca -0.04 1.72 0.00 0.00 0.71 0.00 0.00 52.55 54.94 2bk4 s ASP 318 Cb -0.20 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2bk4 s ASP 318 CO -0.05 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.43 2bk4 n GLY 319 N -0.73 2.81 0.25 0.21 0.00 -1.26 -4.75 105.19 101.72 2bk4 n GLY 319 Ca 0.07 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 2bk4 n GLY 319 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bk4 h GLU 320 N 0.00 0.55 -0.07 1.61 4.57 -2.03 -3.13 114.58 116.08 2bk4 h GLU 320 Ca 0.00 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 57.90 2bk4 h GLU 320 Cb 0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2bk4 h GLU 320 CO 0.00 0.68 -0.44 0.93 -1.18 0.00 0.00 179.01 179.00 2bk4 h GLU 321 N 0.50 0.16 -6.24 1.92 3.07 -2.00 -3.42 114.58 108.57 2bk4 h GLU 321 Ca 0.09 -0.08 -0.56 0.00 -0.50 0.00 0.00 59.36 58.31 2bk4 h GLU 321 Cb 0.55 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 2bk4 h GLU 321 CO 0.03 0.58 1.05 0.00 -1.40 0.00 0.00 179.01 179.27 2bk4 s ALA 322 N -4.06 3.57 0.29 3.43 0.00 -1.19 -4.91 121.76 118.91 2bk4 s ALA 322 Ca -0.04 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2bk4 s ALA 322 Cb 0.13 -3.73 0.44 0.00 0.00 0.00 0.00 23.12 19.96 2bk4 s ALA 322 CO 0.76 -1.43 1.86 -1.00 0.00 0.00 0.00 175.76 175.95 2bk4 h PRO 323 N 9.41 0.82 -5.26 0.00 0.13 -1.89 -3.42 132.00 131.79 2bk4 h PRO 323 Ca -0.35 -0.15 -0.65 0.00 -0.87 0.00 0.00 66.00 63.98 2bk4 h PRO 323 Cb 1.16 -0.14 -0.26 0.00 0.13 0.00 0.00 31.00 31.89 2bk4 h PRO 323 CO 0.97 0.71 -0.73 0.08 -0.23 0.00 0.00 178.00 178.79 2bk4 s VAL 324 N -5.29 3.30 -0.84 1.56 1.01 -1.26 -4.35 120.40 114.53 2bk4 s VAL 324 Ca -0.10 -0.56 0.22 0.00 0.00 0.00 0.00 61.98 61.54 2bk4 s VAL 324 Cb 0.16 -2.42 -0.16 0.00 0.00 0.00 0.00 36.38 33.96 2bk4 s VAL 324 CO 0.79 0.50 1.01 0.00 0.00 0.00 0.00 175.10 177.41 2bk4 n ALA 325 N 3.73 4.05 -3.63 5.51 0.00 -1.22 -4.71 120.51 124.24 2bk4 n ALA 325 Ca -0.18 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.67 2bk4 n ALA 325 Cb 0.52 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 2bk4 n ALA 325 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2bk4 s TYR 326 N -3.08 -0.81 0.15 0.00 5.04 -1.26 -0.62 117.35 116.77 2bk4 s TYR 326 Ca 0.07 1.71 0.05 0.00 -2.44 0.00 0.00 57.07 56.46 2bk4 s TYR 326 Cb 0.16 0.42 -0.04 0.00 0.35 0.00 0.00 41.96 42.84 2bk4 s TYR 326 CO 0.82 -0.42 -0.12 0.95 -1.34 0.00 0.00 175.55 175.45 2bk4 s THR 327 N 1.28 1.29 0.03 4.34 -4.23 -0.55 -2.34 115.64 115.46 2bk4 s THR 327 Ca -0.08 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 2bk4 s THR 327 Cb -0.06 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 2bk4 s THR 327 CO -0.13 -0.63 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.50 2bk4 s LEU 328 N -2.98 2.25 0.11 4.79 1.43 -0.19 -2.83 118.68 121.26 2bk4 s LEU 328 Ca 0.15 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.41 2bk4 s LEU 328 Cb -0.00 -0.05 -0.11 0.00 0.03 0.00 0.00 46.19 46.05 2bk4 s LEU 328 CO 0.02 -0.24 1.82 -0.67 0.23 0.00 0.00 176.35 177.51 2bk4 n ASP 329 N 1.53 3.92 -0.46 2.29 -0.08 -1.25 -1.01 116.55 121.50 2bk4 n ASP 329 Ca -0.23 0.99 0.05 0.00 -1.51 0.00 0.00 54.79 54.10 2bk4 n ASP 329 Cb 0.55 -1.52 0.14 0.00 2.34 0.00 0.00 41.12 42.62 2bk4 n ASP 329 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2bk4 n ASP 330 N 5.55 2.83 -4.66 1.67 2.03 0.06 -4.55 116.55 119.50 2bk4 n ASP 330 Ca 0.18 -2.39 -0.40 0.00 0.52 0.00 0.00 54.79 52.70 2bk4 n ASP 330 Cb 0.36 -0.27 0.02 0.00 -0.72 0.00 0.00 41.12 40.51 2bk4 n ASP 330 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2bk4 n THR 331 N -0.25 2.87 -1.47 5.18 -1.04 -1.20 -4.61 114.28 113.75 2bk4 n THR 331 Ca 0.12 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.29 2bk4 n THR 331 Cb 0.52 -1.35 0.08 0.00 -1.82 0.00 0.00 70.33 67.76 2bk4 n THR 331 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2bk4 s LYS 332 N -2.32 2.31 0.59 -2.82 -0.14 -0.79 -4.90 119.74 111.67 2bk4 s LYS 332 Ca 0.66 1.53 0.30 0.00 -1.36 0.00 0.00 55.97 57.10 2bk4 s LYS 332 Cb -0.50 -1.88 1.81 0.00 -1.68 0.00 0.00 37.83 35.59 2bk4 s LYS 332 CO 0.54 -1.66 2.25 -1.00 -0.76 0.00 0.00 175.35 174.72 2bk4 h PRO 333 N -0.40 0.00 0.00 -1.68 0.13 -1.93 0.77 132.00 128.89 2bk4 h PRO 333 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bk4 h PRO 333 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2bk4 h PRO 333 CO 0.51 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.68 2bk4 n GLU 334 N -3.81 0.20 -0.08 0.86 4.71 -1.26 -4.89 120.64 116.36 2bk4 n GLU 334 Ca -0.03 0.35 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 2bk4 n GLU 334 Cb 0.09 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 2bk4 n GLU 334 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bk4 n GLY 335 N 0.39 0.59 3.94 0.62 0.00 0.26 -5.08 105.19 105.91 2bk4 n GLY 335 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2bk4 n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk4 s ASN 336 N -2.89 4.86 -1.38 1.61 4.22 -1.26 -4.63 114.94 115.48 2bk4 s ASN 336 Ca 0.00 -1.02 -0.04 0.00 -2.14 0.00 0.00 52.86 49.66 2bk4 s ASN 336 Cb 0.00 0.18 0.03 0.00 1.28 0.00 0.00 41.25 42.73 2bk4 s ASN 336 CO 0.00 -1.08 0.76 -1.22 -2.04 0.00 0.00 177.10 173.52 2bk4 n TYR 337 N -1.86 -2.01 -1.57 1.54 4.02 -1.26 -1.89 117.16 114.13 2bk4 n TYR 337 Ca 0.04 0.85 -0.49 0.00 -0.01 0.00 0.00 57.90 58.30 2bk4 n TYR 337 Cb 0.63 -4.23 -0.04 0.00 -0.02 0.00 0.00 39.34 35.68 2bk4 n TYR 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bk4 n ALA 338 N -4.41 -0.91 -3.50 -0.72 0.00 -1.25 -4.21 120.51 105.51 2bk4 n ALA 338 Ca -0.20 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.54 2bk4 n ALA 338 Cb 0.63 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 2bk4 n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bk4 s ALA 339 N -0.21 -1.74 -0.15 0.00 0.00 -1.26 -0.87 121.76 117.54 2bk4 s ALA 339 Ca 0.73 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2bk4 s ALA 339 Cb -0.87 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2bk4 s ALA 339 CO 0.52 -0.45 -0.15 0.42 0.00 0.00 0.00 175.76 176.11 2bk4 s ILE 340 N -1.72 2.76 -0.14 0.00 -1.09 -0.21 -0.76 121.20 120.04 2bk4 s ILE 340 Ca -0.08 -0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 57.47 2bk4 s ILE 340 Cb -0.00 -2.16 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 2bk4 s ILE 340 CO 0.05 0.52 0.27 -0.32 -1.23 0.00 0.00 174.94 174.22 2bk4 s MET 341 N 0.71 4.10 0.05 2.79 -2.45 -0.18 -1.40 119.30 122.92 2bk4 s MET 341 Ca -0.07 0.06 0.02 0.00 -1.25 0.00 0.00 55.69 54.45 2bk4 s MET 341 Cb -0.16 -3.37 -0.03 0.00 1.25 0.00 0.00 34.83 32.53 2bk4 s MET 341 CO 0.02 0.37 -0.07 0.20 1.05 0.00 0.00 175.02 176.58 2bk4 s GLY 342 N 0.08 0.50 -0.16 2.11 0.00 -0.03 -1.03 107.32 108.80 2bk4 s GLY 342 Ca 0.16 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 44.01 2bk4 s GLY 342 CO 0.04 -0.88 0.01 -1.36 0.00 0.00 0.00 173.10 170.92 2bk4 s PHE 343 N -1.70 3.14 -0.30 1.90 0.40 -0.99 -1.22 117.98 119.22 2bk4 s PHE 343 Ca -0.08 -0.09 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 2bk4 s PHE 343 Cb -0.08 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2bk4 s PHE 343 CO -0.01 0.09 0.35 0.42 0.70 0.00 0.00 175.22 176.78 2bk4 s ILE 344 N 0.27 5.19 -0.07 0.64 1.01 -0.13 -3.43 121.20 124.68 2bk4 s ILE 344 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 2bk4 s ILE 344 Cb -0.13 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2bk4 s ILE 344 CO 0.02 0.08 -0.02 -0.76 0.00 0.00 0.00 174.94 174.25 2bk4 s LEU 345 N 2.02 3.46 0.00 2.97 1.43 -1.26 -1.62 118.68 125.67 2bk4 s LEU 345 Ca 0.13 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2bk4 s LEU 345 Cb -0.16 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2bk4 s LEU 345 CO 0.11 0.36 0.00 0.00 0.23 0.00 0.00 176.35 177.05 2bk4 n ALA 346 N 2.04 0.00 0.19 4.21 0.00 0.12 -1.56 120.51 125.51 2bk4 n ALA 346 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2bk4 n ALA 346 Cb 0.53 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.64 2bk4 n ALA 346 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2bk4 h HIS 347 N 0.00 0.00 -0.03 0.00 2.07 -1.90 -1.25 115.15 114.04 2bk4 h HIS 347 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 2bk4 h HIS 347 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2bk4 h HIS 347 CO 0.00 0.00 -0.47 0.87 -3.07 0.00 0.00 177.93 175.26 2bk4 h LYS 348 N 0.00 0.06 -0.75 5.12 1.57 -1.64 0.59 116.57 121.52 2bk4 h LYS 348 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2bk4 h LYS 348 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2bk4 h LYS 348 CO -0.00 0.52 0.39 0.00 -0.57 0.00 0.00 179.45 179.79 2bk4 h ALA 349 N 1.48 1.28 -0.03 3.86 0.00 -1.27 0.12 119.26 124.71 2bk4 h ALA 349 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2bk4 h ALA 349 Cb 0.84 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2bk4 h ALA 349 CO 0.06 0.57 -0.24 0.00 0.00 0.00 0.00 179.25 179.65 2bk4 h ARG 350 N 1.05 0.21 0.08 0.00 3.08 -1.40 -2.95 114.38 114.44 2bk4 h ARG 350 Ca 0.26 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2bk4 h ARG 350 Cb 0.05 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2bk4 h ARG 350 CO -0.04 0.87 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.47 2bk4 h LYS 351 N -0.39 -0.10 -0.00 0.04 3.64 -0.77 -3.19 116.57 115.80 2bk4 h LYS 351 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2bk4 h LYS 351 Cb 0.93 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2bk4 h LYS 351 CO 0.05 -0.03 -0.03 1.28 -2.27 0.00 0.00 179.45 178.45 2bk4 n LEU 352 N -5.12 0.03 0.31 5.20 4.77 0.42 -3.14 117.00 119.48 2bk4 n LEU 352 Ca -0.08 0.47 0.20 0.00 -0.03 0.00 0.00 56.01 56.57 2bk4 n LEU 352 Cb 0.09 -0.48 0.98 0.00 -2.33 0.00 0.00 43.42 41.68 2bk4 n LEU 352 CO 0.34 0.01 1.10 0.00 -1.33 0.00 0.00 177.39 177.50 2bk4 h ALA 353 N 3.01 1.01 0.00 -1.18 0.00 -1.50 -2.35 119.26 118.25 2bk4 h ALA 353 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2bk4 h ALA 353 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bk4 h ALA 353 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.11 2bk4 h ARG 354 N 0.00 0.00 -7.54 0.00 3.08 -1.72 -3.45 114.38 104.75 2bk4 h ARG 354 Ca -0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 2bk4 h ARG 354 Cb 0.23 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.39 2bk4 h ARG 354 CO 0.00 0.15 0.36 -0.51 -1.07 0.00 0.00 179.97 178.90 2bk4 s LEU 355 N -6.94 2.38 0.64 3.04 1.43 -0.89 -5.07 118.68 113.27 2bk4 s LEU 355 Ca -0.01 0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 2bk4 s LEU 355 Cb 0.12 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.94 2bk4 s LEU 355 CO 0.59 -2.08 0.99 0.42 0.23 0.00 0.00 176.35 176.50 2bk4 s THR 356 N -3.41 3.59 0.22 5.49 -4.23 -1.26 -4.92 115.64 111.12 2bk4 s THR 356 Ca 0.62 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 61.28 2bk4 s THR 356 Cb -0.13 -3.47 0.17 0.00 1.34 0.00 0.00 72.50 70.42 2bk4 s THR 356 CO 0.51 -0.55 1.80 0.50 -0.54 0.00 0.00 174.62 176.34 2bk4 h LYS 357 N -0.39 0.65 -0.56 3.99 3.64 -1.96 -0.92 116.57 121.01 2bk4 h LYS 357 Ca -0.45 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 2bk4 h LYS 357 Cb 1.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2bk4 h LYS 357 CO 0.62 0.43 0.03 0.93 -2.27 0.00 0.00 179.45 179.19 2bk4 h GLU 358 N 0.67 0.94 -0.47 1.90 3.07 -1.99 -0.69 114.58 118.00 2bk4 h GLU 358 Ca 0.34 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2bk4 h GLU 358 Cb 0.29 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2bk4 h GLU 358 CO -0.23 0.91 0.14 0.93 -1.40 0.00 0.00 179.01 179.36 2bk4 h GLU 359 N 0.87 0.74 -0.57 2.33 5.08 -1.80 -2.03 114.58 119.21 2bk4 h GLU 359 Ca 0.17 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2bk4 h GLU 359 Cb 0.47 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2bk4 h GLU 359 CO 0.02 0.70 0.17 0.00 -1.00 0.00 0.00 179.01 178.91 2bk4 h ARG 360 N 0.63 0.88 -0.58 2.33 3.08 -0.96 -2.44 114.38 117.32 2bk4 h ARG 360 Ca 0.15 -0.19 0.07 0.00 0.07 0.00 0.00 59.98 60.08 2bk4 h ARG 360 Cb 0.28 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 2bk4 h ARG 360 CO -0.00 0.80 0.26 1.25 -1.07 0.00 0.00 179.97 181.21 2bk4 h LEU 361 N 0.79 0.32 -0.30 3.04 5.85 -1.02 -1.58 115.31 122.42 2bk4 h LEU 361 Ca 0.18 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2bk4 h LEU 361 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2bk4 h LEU 361 CO -0.00 0.21 0.17 0.50 -0.34 0.00 0.00 178.44 178.98 2bk4 h LYS 362 N 0.48 0.41 -0.84 1.25 3.64 -1.18 -1.19 116.57 119.14 2bk4 h LYS 362 Ca 0.28 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2bk4 h LYS 362 Cb 0.27 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2bk4 h LYS 362 CO -0.24 0.33 0.47 0.87 -2.27 0.00 0.00 179.45 178.61 2bk4 h LYS 363 N 0.38 1.17 -0.26 1.90 1.57 -1.22 -1.66 116.57 118.45 2bk4 h LYS 363 Ca 0.11 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2bk4 h LYS 363 Cb 0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2bk4 h LYS 363 CO -0.02 0.86 0.02 -0.07 -0.57 0.00 0.00 179.45 179.67 2bk4 h LEU 364 N 1.17 0.44 -0.76 2.94 4.07 -1.08 -1.97 115.31 120.12 2bk4 h LEU 364 Ca 0.30 -0.29 0.01 0.00 0.08 0.00 0.00 57.88 57.97 2bk4 h LEU 364 Cb 0.02 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 2bk4 h LEU 364 CO -0.05 0.62 0.50 0.00 -1.08 0.00 0.00 178.44 178.43 2bk4 h GLU 366 N 1.03 0.48 0.17 0.00 5.08 -1.28 -0.05 114.58 120.00 2bk4 h GLU 366 Ca 0.28 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2bk4 h GLU 366 Cb -0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2bk4 h GLU 366 CO -0.06 0.77 -0.08 1.25 -1.00 0.00 0.00 179.01 179.89 2bk4 h LEU 367 N 0.40 -0.20 -1.06 1.33 5.85 -1.00 -2.74 115.31 117.90 2bk4 h LEU 367 Ca 0.04 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2bk4 h LEU 367 Cb 0.81 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2bk4 h LEU 367 CO 0.07 0.06 0.62 1.88 -0.34 0.00 0.00 178.44 180.73 2bk4 h TYR 368 N -0.45 1.20 -0.65 1.25 0.99 -0.82 -0.33 116.97 118.15 2bk4 h TYR 368 Ca -0.02 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.76 2bk4 h TYR 368 Cb 0.35 -0.40 -0.04 0.00 1.00 0.00 0.00 36.73 37.63 2bk4 h TYR 368 CO -0.00 0.76 0.41 0.00 -0.00 0.00 0.00 178.16 179.32 2bk4 h ALA 369 N 1.40 0.85 0.22 3.88 0.00 -1.03 0.21 119.26 124.79 2bk4 h ALA 369 Ca 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2bk4 h ALA 369 Cb -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2bk4 h ALA 369 CO -0.07 0.17 -0.11 -0.22 0.00 0.00 0.00 179.25 179.02 2bk4 h LYS 370 N 0.80 -0.29 -0.55 0.00 3.64 -1.08 -0.00 116.57 119.09 2bk4 h LYS 370 Ca 0.26 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2bk4 h LYS 370 Cb 0.01 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2bk4 h LYS 370 CO -0.10 -0.05 0.03 0.28 -2.27 0.00 0.00 179.45 177.34 2bk4 h VAL 371 N -0.48 1.26 -0.00 2.00 2.07 -0.90 -2.68 116.25 117.51 2bk4 h VAL 371 Ca -0.03 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2bk4 h VAL 371 Cb 0.36 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2bk4 h VAL 371 CO 0.05 0.38 -0.14 0.18 0.02 0.00 0.00 177.57 178.06 2bk4 n LEU 372 N -4.30 0.59 -3.82 2.57 4.77 0.05 -4.78 117.00 112.08 2bk4 n LEU 372 Ca 0.02 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 2bk4 n LEU 372 Cb 0.31 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2bk4 n LEU 372 CO 0.42 0.11 0.08 0.61 -1.33 0.00 0.00 177.39 177.29 2bk4 n GLY 373 N 1.30 -0.45 2.70 -0.72 0.00 -0.28 -4.98 105.19 102.77 2bk4 n GLY 373 Ca 0.14 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 2bk4 n GLY 373 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk4 s SER 374 N -3.59 1.76 0.57 1.61 0.01 -0.18 -5.00 113.70 108.87 2bk4 s SER 374 Ca 0.48 -0.23 0.26 0.00 1.31 0.00 0.00 55.95 57.77 2bk4 s SER 374 Cb -0.24 -0.32 1.66 0.00 0.21 0.00 0.00 66.02 67.33 2bk4 s SER 374 CO 0.81 -0.26 2.22 -0.07 0.41 0.00 0.00 173.24 176.36 2bk4 h LEU 375 N 8.37 0.00 -2.37 2.44 3.38 -1.94 -2.54 115.31 122.66 2bk4 h LEU 375 Ca -0.16 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2bk4 h LEU 375 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2bk4 h LEU 375 CO 0.24 0.01 0.07 -0.33 0.09 0.00 0.00 178.44 178.52 2bk4 h GLU 376 N 0.00 0.00 0.00 1.13 5.08 -1.96 -1.48 114.58 117.35 2bk4 h GLU 376 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bk4 h GLU 376 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2bk4 h GLU 376 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2bk4 h ALA 377 N 1.91 1.00 -0.08 3.43 0.00 -1.78 -2.20 119.26 121.55 2bk4 h ALA 377 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bk4 h ALA 377 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2bk4 h ALA 377 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2bk4 n LEU 378 N -2.58 1.15 -3.14 0.00 4.77 -0.56 -4.43 117.00 112.21 2bk4 n LEU 378 Ca -0.00 -0.44 -0.27 0.00 -0.03 0.00 0.00 56.01 55.26 2bk4 n LEU 378 Cb 0.16 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2bk4 n LEU 378 CO 0.19 0.22 0.16 -0.62 -1.33 0.00 0.00 177.39 176.01 2bk4 n GLU 379 N -0.06 3.05 -2.02 3.23 4.71 -0.83 -5.07 120.64 123.66 2bk4 n GLU 379 Ca 0.17 -4.79 -0.34 0.00 -0.01 0.00 0.00 57.16 52.19 2bk4 n GLU 379 Cb 0.27 -2.25 0.03 0.00 -1.01 0.00 0.00 31.44 28.47 2bk4 n GLU 379 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2bk4 s PRO 380 N -3.13 3.06 -0.02 3.49 0.04 -1.26 -4.69 135.00 132.50 2bk4 s PRO 380 Ca 0.45 1.56 0.16 0.00 0.04 0.00 0.00 61.00 63.22 2bk4 s PRO 380 Cb 0.23 -1.97 -0.25 0.00 0.04 0.00 0.00 34.50 32.55 2bk4 s PRO 380 CO -0.09 -1.07 0.40 1.33 0.04 0.00 0.00 177.00 177.61 2bk4 n VAL 381 N -1.80 0.00 -3.53 -0.36 0.24 0.69 -4.98 118.33 108.58 2bk4 n VAL 381 Ca 0.11 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 2bk4 n VAL 381 Cb 0.51 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.10 2bk4 n VAL 381 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bk4 s HIS 382 N -3.06 -0.38 -0.12 6.34 5.65 -1.23 -5.01 115.29 117.47 2bk4 s HIS 382 Ca -0.04 0.17 -0.09 0.00 0.25 0.00 0.00 55.06 55.35 2bk4 s HIS 382 Cb 0.11 0.57 0.04 0.00 -1.18 0.00 0.00 32.58 32.12 2bk4 s HIS 382 CO 0.68 -0.76 0.30 -0.47 -0.65 0.00 0.00 174.74 173.85 2bk4 s TYR 383 N -3.45 -0.38 0.05 3.88 5.04 -1.26 -1.06 117.35 120.17 2bk4 s TYR 383 Ca 0.05 0.88 0.04 0.00 -2.44 0.00 0.00 57.07 55.60 2bk4 s TYR 383 Cb -0.02 0.12 -0.02 0.00 0.35 0.00 0.00 41.96 42.39 2bk4 s TYR 383 CO -0.08 -0.21 -0.12 -1.21 -1.34 0.00 0.00 175.55 172.59 2bk4 s GLU 384 N 0.72 0.75 0.13 4.97 0.41 -0.45 -5.02 118.70 120.22 2bk4 s GLU 384 Ca -0.05 -0.82 -0.15 0.00 -0.41 0.00 0.00 54.97 53.55 2bk4 s GLU 384 Cb -0.06 -0.69 0.03 0.00 -1.78 0.00 0.00 34.13 31.63 2bk4 s GLU 384 CO -0.05 0.16 0.39 -1.83 -0.49 0.00 0.00 175.26 173.44 2bk4 s GLU 385 N -1.47 1.08 -0.14 1.61 -1.05 -1.26 0.03 118.70 117.50 2bk4 s GLU 385 Ca -0.03 -0.76 -0.06 0.00 -0.15 0.00 0.00 54.97 53.97 2bk4 s GLU 385 Cb -0.09 0.46 0.06 0.00 -0.44 0.00 0.00 34.13 34.12 2bk4 s GLU 385 CO 0.01 -0.42 0.30 0.21 0.95 0.00 0.00 175.26 176.32 2bk4 s LYS 386 N -3.82 0.22 -0.49 -4.83 2.47 -0.42 -4.99 119.74 107.89 2bk4 s LYS 386 Ca 0.04 0.74 -0.19 0.00 -1.56 0.00 0.00 55.97 55.00 2bk4 s LYS 386 Cb 0.02 -0.00 0.05 0.00 -1.46 0.00 0.00 37.83 36.44 2bk4 s LYS 386 CO -0.11 -0.23 0.58 1.21 0.16 0.00 0.00 175.35 176.97 2bk4 s ASN 387 N 1.98 6.22 0.13 1.43 3.84 -1.26 -1.42 114.94 125.86 2bk4 s ASN 387 Ca -0.04 -0.86 0.23 0.00 0.21 0.00 0.00 52.86 52.40 2bk4 s ASN 387 Cb -0.11 -2.28 0.91 0.00 -0.55 0.00 0.00 41.25 39.22 2bk4 s ASN 387 CO -0.10 -0.82 1.71 0.79 -2.79 0.00 0.00 177.10 175.90 2bk4 n TRP 388 N 6.02 0.46 0.29 0.43 7.02 -0.90 -3.03 117.44 127.74 2bk4 n TRP 388 Ca -0.07 0.16 0.17 0.00 -1.02 0.00 0.00 57.50 56.74 2bk4 n TRP 388 Cb 0.46 -0.76 0.90 0.00 -2.42 0.00 0.00 31.31 29.49 2bk4 n TRP 388 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bk4 n GLU 390 N -3.45 0.50 -2.67 0.00 0.28 -1.17 -4.74 120.64 109.39 2bk4 n GLU 390 Ca -0.02 -0.22 -0.43 0.00 -0.16 0.00 0.00 57.16 56.33 2bk4 n GLU 390 Cb 0.17 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.52 2bk4 n GLU 390 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2bk4 s GLU 391 N -2.66 3.66 0.30 3.44 0.41 -1.06 -4.92 118.70 117.88 2bk4 s GLU 391 Ca 0.22 0.43 0.02 0.00 -0.41 0.00 0.00 54.97 55.23 2bk4 s GLU 391 Cb 0.19 -3.91 0.57 0.00 -1.78 0.00 0.00 34.13 29.19 2bk4 s GLU 391 CO 0.54 -1.33 1.89 0.37 -0.49 0.00 0.00 175.26 176.24 2bk4 h GLN 392 N 9.18 0.96 -0.58 1.61 4.15 -1.90 0.16 115.11 128.68 2bk4 h GLN 392 Ca -0.23 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2bk4 h GLN 392 Cb 1.07 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.54 2bk4 h GLN 392 CO 1.10 0.63 0.00 0.66 -1.93 0.00 0.00 178.83 179.29 2bk4 n TYR 393 N -4.52 1.50 -0.00 3.99 4.02 -1.26 -4.30 117.16 116.59 2bk4 n TYR 393 Ca 0.15 -0.66 -0.01 0.00 -0.01 0.00 0.00 57.90 57.38 2bk4 n TYR 393 Cb 0.26 -0.29 -0.00 0.00 -0.02 0.00 0.00 39.34 39.28 2bk4 n TYR 393 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2bk4 n SER 394 N 0.83 0.36 0.00 7.72 7.64 -1.04 -4.93 113.62 124.20 2bk4 n SER 394 Ca 0.25 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2bk4 n SER 394 Cb 0.93 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 2bk4 n SER 394 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk4 n GLY 395 N 3.00 1.58 0.00 0.23 0.00 0.55 -4.87 105.19 105.68 2bk4 n GLY 395 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2bk4 n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 396 N -2.00 -0.50 3.37 -0.02 0.00 -1.21 -4.52 105.19 100.30 2bk4 n GLY 396 Ca 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 2bk4 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk4 h TYR 398 N 2.28 0.03 -3.11 0.00 0.05 -1.87 -3.13 116.97 111.23 2bk4 h TYR 398 Ca -0.33 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.35 2bk4 h TYR 398 Cb 1.26 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 2bk4 h TYR 398 CO 0.32 0.83 0.16 -2.37 -1.05 0.00 0.00 178.16 176.04 2bk4 n THR 399 N -3.58 0.00 -2.67 -2.88 5.66 -1.26 -4.96 114.28 104.59 2bk4 n THR 399 Ca -0.01 -1.06 -0.42 0.00 -3.05 0.00 0.00 64.05 59.52 2bk4 n THR 399 Cb 0.78 0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 70.44 2bk4 n THR 399 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bk4 s THR 400 N -2.34 4.59 0.22 1.09 2.01 -1.26 -1.91 115.64 118.04 2bk4 s THR 400 Ca 0.17 1.96 0.08 0.00 0.31 0.00 0.00 61.69 64.21 2bk4 s THR 400 Cb -0.04 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2bk4 s THR 400 CO 0.13 0.21 0.06 -0.72 -0.69 0.00 0.00 174.62 173.61 2bk4 s TYR 401 N 0.63 2.90 -0.25 4.92 -0.85 0.01 -4.96 117.35 119.76 2bk4 s TYR 401 Ca 0.51 -0.14 -0.04 0.00 -0.52 0.00 0.00 57.07 56.88 2bk4 s TYR 401 Cb -0.23 -1.34 0.01 0.00 0.38 0.00 0.00 41.96 40.77 2bk4 s TYR 401 CO 0.29 0.55 -0.01 -0.06 -1.52 0.00 0.00 175.55 174.80 2bk4 s PHE 402 N -2.02 3.04 1.03 -3.49 0.40 -1.26 -3.81 117.98 111.87 2bk4 s PHE 402 Ca 0.30 -1.12 -0.12 0.00 -0.60 0.00 0.00 56.93 55.39 2bk4 s PHE 402 Cb -0.08 -2.13 0.20 0.00 0.51 0.00 0.00 43.02 41.52 2bk4 s PHE 402 CO 0.21 -0.61 1.07 -2.14 0.70 0.00 0.00 175.22 174.46 2bk4 s PRO 403 N 1.44 0.20 0.27 0.24 0.02 -1.26 -0.86 135.00 135.05 2bk4 s PRO 403 Ca 0.03 0.78 -0.30 0.00 0.02 0.00 0.00 61.00 61.53 2bk4 s PRO 403 Cb -0.16 -1.69 -0.13 0.00 0.02 0.00 0.00 34.50 32.55 2bk4 s PRO 403 CO -0.02 -2.95 1.42 -0.35 -0.33 0.00 0.00 177.00 174.76 2bk4 n PRO 404 N -4.37 2.18 0.00 5.54 -0.04 -1.26 -2.88 135.00 134.17 2bk4 n PRO 404 Ca 0.05 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2bk4 n PRO 404 Cb 0.55 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2bk4 n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bk4 n GLY 405 N 1.86 1.51 0.14 0.55 0.00 0.15 -4.93 105.19 104.48 2bk4 n GLY 405 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2bk4 n GLY 405 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk4 h ILE 406 N 0.00 1.01 -0.75 -0.61 1.08 -1.81 -3.27 117.51 113.16 2bk4 h ILE 406 Ca 0.00 -2.47 -0.06 0.00 -0.39 0.00 0.00 64.86 61.94 2bk4 h ILE 406 Cb 0.00 2.78 -0.03 0.00 -3.07 0.00 0.00 36.82 36.49 2bk4 h ILE 406 CO 0.00 0.79 0.25 0.25 -0.69 0.00 0.00 178.15 178.75 2bk4 h LEU 407 N -0.08 1.08 -0.67 1.44 5.85 -1.92 0.15 115.31 121.17 2bk4 h LEU 407 Ca -0.32 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.06 2bk4 h LEU 407 Cb 1.94 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 2bk4 h LEU 407 CO 0.13 0.99 -0.51 0.71 -0.34 0.00 0.00 178.44 179.42 2bk4 h THR 408 N 1.11 1.33 0.16 1.05 1.35 -1.93 -0.21 112.91 115.76 2bk4 h THR 408 Ca 0.24 -1.76 -0.31 0.00 -0.55 0.00 0.00 66.41 64.04 2bk4 h THR 408 Cb 0.29 1.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.50 2bk4 h THR 408 CO -0.01 0.53 -1.45 1.56 -0.25 0.00 0.00 175.52 175.90 2bk4 h GLN 409 N 0.32 0.33 0.00 4.72 1.08 -1.52 -3.41 115.11 116.63 2bk4 h GLN 409 Ca 0.01 -0.57 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2bk4 h GLN 409 Cb 1.01 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 2bk4 h GLN 409 CO 0.09 1.24 -0.16 0.66 -0.95 0.00 0.00 178.83 179.71 2bk4 n TYR 410 N -3.55 0.00 -0.33 2.96 4.02 0.50 -4.81 117.16 115.95 2bk4 n TYR 410 Ca -0.15 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.85 2bk4 n TYR 410 Cb 1.05 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.66 2bk4 n TYR 410 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2bk4 h GLY 411 N 0.00 1.64 2.00 2.72 0.00 -1.04 -2.01 103.07 106.38 2bk4 h GLY 411 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2bk4 h GLY 411 CO 0.00 -0.08 0.00 0.07 0.00 0.00 0.00 176.54 176.53 2bk4 h ARG 412 N 0.68 0.00 0.00 4.80 0.11 -1.88 -2.55 114.38 115.54 2bk4 h ARG 412 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 2bk4 h ARG 412 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2bk4 h ARG 412 CO -0.39 0.00 -0.44 1.55 0.10 0.00 0.00 179.97 180.79 2bk4 n VAL 413 N -2.75 0.10 -0.21 0.08 3.14 -0.76 -4.29 118.33 113.63 2bk4 n VAL 413 Ca -0.00 -0.07 -0.05 0.00 -2.96 0.00 0.00 64.34 61.26 2bk4 n VAL 413 Cb 0.19 0.02 0.01 0.00 -1.06 0.00 0.00 33.84 32.99 2bk4 n VAL 413 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2bk4 h LEU 414 N 0.00 -1.15 -3.06 6.55 3.38 -1.57 -2.78 115.31 116.69 2bk4 h LEU 414 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2bk4 h LEU 414 Cb 0.56 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2bk4 h LEU 414 CO 0.00 -0.30 0.00 -2.11 0.09 0.00 0.00 178.44 176.12 2bk4 n ARG 415 N -5.44 2.75 -2.17 1.13 1.85 -1.26 -4.89 116.66 108.63 2bk4 n ARG 415 Ca 0.04 -2.35 -0.42 0.00 -1.00 0.00 0.00 57.85 54.12 2bk4 n ARG 415 Cb 0.36 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.25 2bk4 n ARG 415 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2bk4 s GLN 416 N -1.91 4.22 0.58 2.89 0.74 -1.05 -4.61 119.66 120.52 2bk4 s GLN 416 Ca 0.29 1.99 -0.20 0.00 0.05 0.00 0.00 55.36 57.49 2bk4 s GLN 416 Cb 0.21 -3.83 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 2bk4 s GLN 416 CO 0.10 -0.75 1.22 -2.30 -0.55 0.00 0.00 175.29 173.01 2bk4 n PRO 417 N 6.57 1.31 -3.85 1.67 -0.02 -1.26 -4.89 135.00 134.54 2bk4 n PRO 417 Ca 0.15 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 2bk4 n PRO 417 Cb 0.43 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 2bk4 n PRO 417 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bk4 s VAL 418 N -1.37 3.04 0.00 -1.45 1.01 -0.25 -4.98 120.40 116.41 2bk4 s VAL 418 Ca 0.75 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 60.13 2bk4 s VAL 418 Cb -0.42 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2bk4 s VAL 418 CO 0.47 -0.74 0.00 -0.67 0.00 0.00 0.00 175.10 174.15 2bk4 n ASP 419 N 3.94 0.00 -0.82 3.32 2.03 -1.26 -1.31 116.55 122.45 2bk4 n ASP 419 Ca 0.03 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.42 2bk4 n ASP 419 Cb 0.39 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.97 2bk4 n ASP 419 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bk4 n ARG 420 N 0.00 2.56 -3.47 -0.67 1.74 -1.26 -4.92 116.66 110.65 2bk4 n ARG 420 Ca 0.00 -2.11 -0.38 0.00 -0.77 0.00 0.00 57.85 54.59 2bk4 n ARG 420 Cb 0.00 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 2bk4 n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bk4 s ILE 421 N -1.04 5.25 0.19 0.55 1.01 -0.43 -1.42 121.20 125.31 2bk4 s ILE 421 Ca 0.29 0.57 0.09 0.00 0.00 0.00 0.00 60.65 61.60 2bk4 s ILE 421 Cb 0.16 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2bk4 s ILE 421 CO 0.21 0.29 -0.07 -0.31 0.00 0.00 0.00 174.94 175.06 2bk4 s TYR 422 N 1.15 2.67 -0.20 3.97 1.51 0.39 -1.09 117.35 125.75 2bk4 s TYR 422 Ca 0.16 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 2bk4 s TYR 422 Cb -0.14 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2bk4 s TYR 422 CO 0.07 0.53 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.82 2bk4 s PHE 423 N -1.82 2.90 0.00 2.71 0.40 -1.26 -0.87 117.98 120.03 2bk4 s PHE 423 Ca 0.26 -1.71 0.00 0.00 -0.60 0.00 0.00 56.93 54.88 2bk4 s PHE 423 Cb -0.08 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.50 2bk4 s PHE 423 CO 0.16 -0.80 0.00 0.00 0.70 0.00 0.00 175.22 175.29 2bk4 n ALA 424 N 4.60 0.00 0.00 5.36 0.00 -0.56 -4.73 120.51 125.18 2bk4 n ALA 424 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2bk4 n ALA 424 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2bk4 n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bk4 n GLY 425 N 5.00 -0.17 0.34 0.00 0.00 -1.26 -4.54 105.19 104.56 2bk4 n GLY 425 Ca 0.00 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 44.74 2bk4 n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk4 h THR 426 N 0.00 0.76 0.00 2.61 1.03 -1.84 -1.59 112.91 113.88 2bk4 h THR 426 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2bk4 h THR 426 Cb 0.00 0.82 -0.00 0.00 -1.07 0.00 0.00 68.15 67.90 2bk4 h THR 426 CO 0.00 0.00 -0.02 -0.33 -0.01 0.00 0.00 175.52 175.16 2bk4 h GLU 427 N 0.00 0.00 -0.02 0.00 3.07 -1.89 -1.67 114.58 114.07 2bk4 h GLU 427 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2bk4 h GLU 427 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2bk4 h GLU 427 CO -0.00 0.02 -0.06 0.25 -1.40 0.00 0.00 179.01 177.82 2bk4 n THR 428 N -3.30 0.00 -1.36 1.13 -2.24 -0.60 -4.94 114.28 102.97 2bk4 n THR 428 Ca -0.02 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 2bk4 n THR 428 Cb 0.12 0.93 0.11 0.00 -2.10 0.00 0.00 70.33 69.40 2bk4 n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk4 s ALA 429 N -2.08 1.90 -0.27 6.98 0.00 -0.63 -4.89 121.76 122.77 2bk4 s ALA 429 Ca 0.31 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2bk4 s ALA 429 Cb 0.20 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2bk4 s ALA 429 CO 0.36 -2.04 0.33 0.25 0.00 0.00 0.00 175.76 174.66 2bk4 n THR 430 N -3.66 0.00 -3.66 0.00 -2.24 -1.26 -4.59 114.28 98.87 2bk4 n THR 430 Ca 0.07 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 2bk4 n THR 430 Cb 0.55 1.03 -0.17 0.00 -2.10 0.00 0.00 70.33 69.64 2bk4 n THR 430 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2bk4 s HIS 431 N -0.90 0.02 -1.46 4.78 5.65 -1.26 -4.76 115.29 117.36 2bk4 s HIS 431 Ca 0.02 0.25 -0.09 0.00 0.25 0.00 0.00 55.06 55.50 2bk4 s HIS 431 Cb 0.03 -0.46 0.04 0.00 -1.18 0.00 0.00 32.58 31.01 2bk4 s HIS 431 CO 0.10 -0.26 0.76 0.91 -0.65 0.00 0.00 174.74 175.60 2bk4 n TRP 432 N 5.30 -2.15 -1.64 3.88 7.02 -0.41 -3.98 117.44 125.46 2bk4 n TRP 432 Ca -0.04 0.68 -0.44 0.00 -1.02 0.00 0.00 57.50 56.68 2bk4 n TRP 432 Cb 0.50 -4.06 -0.02 0.00 -2.42 0.00 0.00 31.31 25.32 2bk4 n TRP 432 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2bk4 n SER 433 N -2.62 2.10 0.00 -0.99 2.88 -1.26 -1.92 113.62 111.81 2bk4 n SER 433 Ca -0.03 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2bk4 n SER 433 Cb 0.57 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2bk4 n SER 433 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bk4 n GLY 434 N 1.24 2.71 3.76 0.46 0.00 -1.23 -4.95 105.19 107.18 2bk4 n GLY 434 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2bk4 n GLY 434 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bk4 s TYR 435 N -2.71 2.63 0.29 1.61 1.51 -0.81 -4.68 117.35 115.19 2bk4 s TYR 435 Ca 0.00 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 2bk4 s TYR 435 Cb 0.00 -1.99 0.47 0.00 -0.11 0.00 0.00 41.96 40.33 2bk4 s TYR 435 CO 0.00 0.13 1.90 0.52 -1.11 0.00 0.00 175.55 176.99 2bk4 h MET 436 N 1.36 1.07 -0.24 -0.62 2.86 -1.90 -1.97 114.93 115.49 2bk4 h MET 436 Ca -0.43 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.21 2bk4 h MET 436 Cb 1.25 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 32.61 2bk4 h MET 436 CO 0.68 0.71 -0.16 1.49 1.06 0.00 0.00 176.91 180.69 2bk4 h GLU 437 N 1.10 -0.14 -0.33 1.72 4.57 -1.93 -2.22 114.58 117.36 2bk4 h GLU 437 Ca 0.41 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.57 2bk4 h GLU 437 Cb 0.17 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2bk4 h GLU 437 CO -0.15 -0.09 0.09 0.78 -1.18 0.00 0.00 179.01 178.45 2bk4 h GLY 438 N -0.14 0.50 0.86 1.92 0.00 -1.01 -1.50 103.07 103.70 2bk4 h GLY 438 Ca 0.13 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.24 2bk4 h GLY 438 CO -0.32 0.24 0.37 0.00 0.00 0.00 0.00 176.54 176.83 2bk4 h ALA 439 N 1.64 0.79 -0.11 3.60 0.00 -0.84 -1.09 119.26 123.25 2bk4 h ALA 439 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2bk4 h ALA 439 Cb 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bk4 h ALA 439 CO -0.01 0.11 -0.00 0.28 0.00 0.00 0.00 179.25 179.63 2bk4 h VAL 440 N 0.73 1.26 -0.31 0.00 2.07 -0.80 -1.36 116.25 117.84 2bk4 h VAL 440 Ca 0.25 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 67.00 2bk4 h VAL 440 Cb 0.03 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 2bk4 h VAL 440 CO -0.11 0.24 -0.12 -0.08 0.02 0.00 0.00 177.57 177.52 2bk4 h GLU 441 N -0.09 -0.06 -0.48 1.57 4.81 -1.18 -1.81 114.58 117.33 2bk4 h GLU 441 Ca 0.03 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 2bk4 h GLU 441 Cb 0.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2bk4 h GLU 441 CO 0.01 -0.04 -0.23 0.00 -0.73 0.00 0.00 179.01 178.01 2bk4 h ALA 442 N 1.20 0.68 -0.38 2.92 0.00 -1.16 -1.24 119.26 121.27 2bk4 h ALA 442 Ca 0.16 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2bk4 h ALA 442 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2bk4 h ALA 442 CO -0.36 0.68 0.16 0.78 0.00 0.00 0.00 179.25 180.51 2bk4 h GLY 443 N 0.86 0.61 1.43 0.00 0.00 -1.07 -0.92 103.07 103.98 2bk4 h GLY 443 Ca 0.11 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 2bk4 h GLY 443 CO 0.07 0.31 -0.66 0.83 0.00 0.00 0.00 176.54 177.09 2bk4 h GLU 444 N 0.47 0.58 -0.28 4.80 5.08 -1.30 -1.74 114.58 122.19 2bk4 h GLU 444 Ca 0.13 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2bk4 h GLU 444 Cb 0.18 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2bk4 h GLU 444 CO -0.01 1.05 0.15 -0.09 -1.00 0.00 0.00 179.01 179.10 2bk4 h ARG 445 N 0.42 0.39 -0.69 2.33 2.43 -1.18 -1.28 114.38 116.79 2bk4 h ARG 445 Ca -0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2bk4 h ARG 445 Cb 1.24 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 2bk4 h ARG 445 CO 0.13 0.35 0.38 0.00 -1.51 0.00 0.00 179.97 179.32 2bk4 h ALA 446 N 1.02 0.89 -0.40 2.80 0.00 -1.13 -0.66 119.26 121.78 2bk4 h ALA 446 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2bk4 h ALA 446 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2bk4 h ALA 446 CO -0.01 0.41 0.17 0.00 0.00 0.00 0.00 179.25 179.81 2bk4 h ALA 447 N 1.19 0.48 0.00 0.00 0.00 -1.20 -2.65 119.26 117.09 2bk4 h ALA 447 Ca 0.24 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2bk4 h ALA 447 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bk4 h ALA 447 CO -0.04 -0.21 -0.35 0.00 0.00 0.00 0.00 179.25 178.66 2bk4 h ARG 448 N 0.35 0.00 -0.77 0.00 3.08 -0.84 -1.60 114.38 114.59 2bk4 h ARG 448 Ca 0.18 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2bk4 h ARG 448 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 2bk4 h ARG 448 CO -0.15 0.35 0.49 0.93 -1.07 0.00 0.00 179.97 180.52 2bk4 h GLU 449 N 0.00 0.93 -0.34 0.04 5.08 -0.78 -0.70 114.58 118.81 2bk4 h GLU 449 Ca -0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 2bk4 h GLU 449 Cb 0.69 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2bk4 h GLU 449 CO 0.05 0.62 -0.20 0.82 -1.00 0.00 0.00 179.01 179.29 2bk4 h ILE 450 N 0.96 1.29 -1.00 3.13 2.04 -1.19 -0.94 117.51 121.80 2bk4 h ILE 450 Ca 0.31 -1.33 0.08 0.00 1.00 0.00 0.00 64.86 64.91 2bk4 h ILE 450 Cb 0.01 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2bk4 h ILE 450 CO -0.11 0.43 0.64 -0.07 0.00 0.00 0.00 178.15 179.05 2bk4 h LEU 451 N 0.50 1.01 -0.29 1.44 3.38 -1.10 -0.28 115.31 119.96 2bk4 h LEU 451 Ca 0.07 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2bk4 h LEU 451 Cb 0.75 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2bk4 h LEU 451 CO 0.06 0.63 -0.12 -0.74 0.09 0.00 0.00 178.44 178.36 2bk4 h HIS 452 N 1.13 0.68 -0.50 1.13 2.76 -1.01 0.30 115.15 119.65 2bk4 h HIS 452 Ca 0.44 -0.16 0.09 0.00 -2.20 0.00 0.00 60.37 58.54 2bk4 h HIS 452 Cb 0.23 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 2bk4 h HIS 452 CO -0.00 0.82 0.34 0.00 -1.30 0.00 0.00 177.93 177.78 2bk4 h ALA 453 N 0.76 2.09 -0.00 5.26 0.00 -0.66 0.15 119.26 126.85 2bk4 h ALA 453 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bk4 h ALA 453 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2bk4 h ALA 453 CO 0.04 -0.20 -0.01 -1.33 0.00 0.00 0.00 179.25 177.75 2bk4 n MET 454 N -4.46 1.15 -1.18 0.00 2.00 -0.16 -4.91 117.12 109.55 2bk4 n MET 454 Ca 0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 57.70 57.40 2bk4 n MET 454 Cb 0.36 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.06 2bk4 n MET 454 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2bk4 n GLY 455 N 1.09 0.86 0.11 3.03 0.00 0.04 -4.94 105.19 105.39 2bk4 n GLY 455 Ca 0.21 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.57 2bk4 n GLY 455 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bk4 h LYS 456 N 0.05 0.00 -4.40 1.61 1.57 -1.14 -3.47 116.57 110.80 2bk4 h LYS 456 Ca -0.13 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.44 2bk4 h LYS 456 Cb 0.44 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.56 2bk4 h LYS 456 CO 0.19 0.30 -0.71 0.96 -0.57 0.00 0.00 179.45 179.62 2bk4 s ILE 457 N -3.00 0.43 0.79 1.86 -4.36 -1.21 -4.98 121.20 110.73 2bk4 s ILE 457 Ca -0.01 -1.34 -0.11 0.00 -0.26 0.00 0.00 60.65 58.93 2bk4 s ILE 457 Cb 0.08 -0.91 0.07 0.00 1.25 0.00 0.00 42.46 42.95 2bk4 s ILE 457 CO 0.79 -0.61 1.09 -2.16 0.24 0.00 0.00 174.94 174.28 2bk4 s PRO 458 N -2.41 2.14 0.31 0.37 0.04 -1.26 -4.38 135.00 129.81 2bk4 s PRO 458 Ca -0.04 0.95 0.02 0.00 0.04 0.00 0.00 61.00 61.97 2bk4 s PRO 458 Cb -0.04 -1.90 0.58 0.00 0.04 0.00 0.00 34.50 33.19 2bk4 s PRO 458 CO -0.03 -1.66 1.90 1.49 0.04 0.00 0.00 177.00 178.74 2bk4 h GLU 459 N -1.13 0.93 0.00 4.56 4.81 -1.98 -1.96 114.58 119.81 2bk4 h GLU 459 Ca -0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2bk4 h GLU 459 Cb 1.25 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2bk4 h GLU 459 CO 0.55 0.62 0.00 -0.40 -0.73 0.00 0.00 179.01 179.04 2bk4 n ASP 460 N -4.51 0.00 -0.75 1.04 5.75 -1.26 -2.16 116.55 114.65 2bk4 n ASP 460 Ca 0.15 -0.72 0.10 0.00 -0.01 0.00 0.00 54.79 54.31 2bk4 n ASP 460 Cb 0.26 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.42 2bk4 n ASP 460 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bk4 n GLU 461 N -0.93 1.74 -0.00 0.11 1.02 -0.73 -4.53 120.64 117.32 2bk4 n GLU 461 Ca 0.13 -1.59 -0.12 0.00 -0.02 0.00 0.00 57.16 55.56 2bk4 n GLU 461 Cb 0.06 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 2bk4 n GLU 461 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bk4 h ILE 462 N 3.69 1.17 -3.45 -3.67 2.04 -1.57 -3.40 117.51 112.32 2bk4 h ILE 462 Ca 0.00 -0.51 -0.61 0.00 1.00 0.00 0.00 64.86 64.74 2bk4 h ILE 462 Cb 0.81 1.42 -0.13 0.00 -0.74 0.00 0.00 36.82 38.18 2bk4 h ILE 462 CO 0.00 0.14 -0.46 0.26 0.00 0.00 0.00 178.15 178.09 2bk4 s TRP 463 N -5.38 3.36 -0.07 1.37 0.52 -1.26 -4.62 118.94 112.86 2bk4 s TRP 463 Ca -0.14 0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.32 2bk4 s TRP 463 Cb 0.05 -2.27 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 2bk4 s TRP 463 CO 0.68 0.14 -0.09 -1.14 0.02 0.00 0.00 176.95 176.57 2bk4 s GLN 464 N 0.81 1.40 0.82 4.98 0.74 -1.26 -5.02 119.66 122.13 2bk4 s GLN 464 Ca 0.10 -0.28 -0.11 0.00 0.05 0.00 0.00 55.36 55.12 2bk4 s GLN 464 Cb -0.13 -1.30 0.09 0.00 1.10 0.00 0.00 33.01 32.77 2bk4 s GLN 464 CO 0.03 -0.09 1.11 -1.54 -0.55 0.00 0.00 175.29 174.25 2bk4 s SER 465 N 1.04 3.96 -0.11 6.67 1.04 -1.26 -5.06 113.70 119.98 2bk4 s SER 465 Ca -0.08 1.96 0.02 0.00 0.48 0.00 0.00 55.95 58.34 2bk4 s SER 465 Cb -0.14 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.45 2bk4 s SER 465 CO -0.00 -2.40 -0.19 -0.70 0.98 0.00 0.00 173.24 170.93 2bk4 s GLU 466 N -4.78 2.57 0.43 4.02 2.56 -1.26 -5.12 118.70 117.12 2bk4 s GLU 466 Ca 0.63 -0.70 -0.26 0.00 0.00 0.00 0.00 54.97 54.65 2bk4 s GLU 466 Cb -0.19 -2.09 -0.09 0.00 2.00 0.00 0.00 34.13 33.76 2bk4 s GLU 466 CO 0.56 0.01 1.42 -2.14 -0.56 0.00 0.00 175.26 174.55 2bk4 s PRO 467 N 0.77 3.82 0.32 4.30 0.02 -1.26 -4.95 135.00 138.02 2bk4 s PRO 467 Ca -0.10 2.42 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 2bk4 s PRO 467 Cb -0.16 -2.74 -0.10 0.00 0.02 0.00 0.00 34.50 31.52 2bk4 s PRO 467 CO 0.01 -0.71 1.40 -2.00 -0.33 0.00 0.00 177.00 175.37 2bk4 s GLU 468 N -2.34 4.26 0.30 5.54 2.12 -1.26 -4.90 118.70 122.43 2bk4 s GLU 468 Ca 0.59 2.35 -0.30 0.00 0.36 0.00 0.00 54.97 57.97 2bk4 s GLU 468 Cb -0.44 -3.05 -0.12 0.00 0.26 0.00 0.00 34.13 30.78 2bk4 s GLU 468 CO 0.57 -0.36 1.49 0.45 -0.54 0.00 0.00 175.26 176.87 2bk4 n SER 469 N 1.19 3.45 0.17 -1.70 2.88 -1.26 -4.91 113.62 113.44 2bk4 n SER 469 Ca 0.02 1.17 0.07 0.00 -1.33 0.00 0.00 58.87 58.81 2bk4 n SER 469 Cb 0.40 -1.55 0.09 0.00 -0.75 0.00 0.00 64.21 62.40 2bk4 n SER 469 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2bk4 h VAL 470 N 3.09 0.41 0.05 2.46 -1.51 -2.01 -3.34 116.25 115.40 2bk4 h VAL 470 Ca -0.47 -1.59 -0.27 0.00 -1.23 0.00 0.00 66.70 63.14 2bk4 h VAL 470 Cb 1.25 2.17 -0.03 0.00 -2.13 0.00 0.00 31.29 32.55 2bk4 h VAL 470 CO 0.73 0.23 -1.40 0.44 -1.23 0.00 0.00 177.57 176.35 2bk4 h ASP 471 N 0.00 0.16 -2.34 4.19 5.19 -2.02 -3.40 116.42 118.20 2bk4 h ASP 471 Ca -0.01 -0.22 -0.59 0.00 -0.62 0.00 0.00 57.03 55.59 2bk4 h ASP 471 Cb 1.20 -0.05 -0.41 0.00 0.18 0.00 0.00 39.33 40.25 2bk4 h ASP 471 CO 0.03 1.18 -0.77 0.52 -3.12 0.00 0.00 179.24 177.08 2bk4 n VAL 472 N -3.31 0.99 -2.39 -1.35 0.31 -1.26 -5.11 118.33 106.21 2bk4 n VAL 472 Ca -0.11 -4.62 -0.34 0.00 -0.01 0.00 0.00 64.34 59.26 2bk4 n VAL 472 Cb 1.01 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.90 2bk4 n VAL 472 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2bk4 s PRO 473 N -1.64 3.58 -0.27 5.55 0.04 -1.25 -4.54 135.00 136.47 2bk4 s PRO 473 Ca 0.35 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 2bk4 s PRO 473 Cb 0.10 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2bk4 s PRO 473 CO -0.09 -0.64 0.16 0.00 0.04 0.00 0.00 177.00 176.48 2bk4 s ALA 474 N -1.91 3.47 0.32 8.56 0.00 -1.26 -4.80 121.76 126.15 2bk4 s ALA 474 Ca 0.70 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 2bk4 s ALA 474 Cb -0.20 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 2bk4 s ALA 474 CO 0.24 -0.48 1.00 -0.65 0.00 0.00 0.00 175.76 175.87 2bk4 s GLN 475 N 1.62 4.51 0.68 0.00 -1.52 -1.26 -5.03 119.66 118.66 2bk4 s GLN 475 Ca 0.07 1.49 -0.15 0.00 -1.95 0.00 0.00 55.36 54.82 2bk4 s GLN 475 Cb -0.15 -2.86 0.01 0.00 -0.22 0.00 0.00 33.01 29.78 2bk4 s GLN 475 CO 0.09 0.18 1.13 -1.25 -0.25 0.00 0.00 175.29 175.19 2bk4 s PRO 476 N -1.95 2.60 -0.20 2.91 0.04 -1.26 -4.99 135.00 132.16 2bk4 s PRO 476 Ca 0.50 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 2bk4 s PRO 476 Cb -0.23 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2bk4 s PRO 476 CO 0.29 -1.42 0.84 0.42 0.04 0.00 0.00 177.00 177.17 2bk4 s ILE 477 N -2.28 4.85 0.18 0.56 -1.09 -1.26 -5.05 121.20 117.12 2bk4 s ILE 477 Ca 0.68 1.63 0.09 0.00 -2.23 0.00 0.00 60.65 60.83 2bk4 s ILE 477 Cb -0.22 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 2bk4 s ILE 477 CO 0.43 -0.02 -0.12 0.42 -1.23 0.00 0.00 174.94 174.42 2bk4 s THR 478 N 2.46 3.03 0.18 2.92 -4.23 -1.26 -5.15 115.64 113.59 2bk4 s THR 478 Ca 0.37 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 2bk4 s THR 478 Cb -0.16 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 2bk4 s THR 478 CO 0.10 -0.12 -0.15 0.42 -0.54 0.00 0.00 174.62 174.34 2bk4 s THR 479 N -1.71 1.63 0.50 3.99 -4.23 -1.26 -5.15 115.64 109.41 2bk4 s THR 479 Ca 0.24 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2bk4 s THR 479 Cb -0.09 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 2bk4 s THR 479 CO 0.14 -0.54 0.76 0.42 -0.54 0.00 0.00 174.62 174.87 2bk4 s THR 480 N -2.73 4.11 0.18 3.99 -4.23 -1.26 -4.97 115.64 110.73 2bk4 s THR 480 Ca 0.19 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.37 2bk4 s THR 480 Cb -0.02 -3.56 0.09 0.00 1.34 0.00 0.00 72.50 70.35 2bk4 s THR 480 CO 0.06 -0.48 1.75 0.15 -0.54 0.00 0.00 174.62 175.55 2bk4 h PHE 481 N 0.19 0.31 -0.63 3.99 3.57 -2.01 -2.02 116.94 120.33 2bk4 h PHE 481 Ca -0.46 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 2bk4 h PHE 481 Cb 1.24 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 2bk4 h PHE 481 CO 0.49 0.10 0.19 -0.07 -2.23 0.00 0.00 178.31 176.79 2bk4 h LEU 482 N 0.35 0.93 -0.79 0.59 3.38 -1.97 -1.97 115.31 115.84 2bk4 h LEU 482 Ca 0.24 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2bk4 h LEU 482 Cb 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2bk4 h LEU 482 CO -0.24 0.89 0.49 -0.33 0.09 0.00 0.00 178.44 179.35 2bk4 h GLU 483 N 0.92 0.91 -0.22 1.13 5.08 -1.88 0.60 114.58 121.12 2bk4 h GLU 483 Ca 0.20 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2bk4 h GLU 483 Cb 0.30 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2bk4 h GLU 483 CO -0.01 0.60 -0.38 0.00 -1.00 0.00 0.00 179.01 178.22 2bk4 h ARG 484 N 0.94 0.50 0.00 2.33 3.08 -1.13 -3.39 114.38 116.71 2bk4 h ARG 484 Ca 0.32 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2bk4 h ARG 484 Cb 0.07 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2bk4 h ARG 484 CO -0.13 0.81 -0.51 0.72 -1.07 0.00 0.00 179.97 179.79 2bk4 n HIS 485 N -4.04 0.00 -1.76 3.04 8.25 -0.76 -5.00 115.22 114.94 2bk4 n HIS 485 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2bk4 n HIS 485 Cb 0.50 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.58 2bk4 n HIS 485 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bk4 n LEU 486 N -1.27 4.81 -4.81 2.41 4.77 0.17 -4.97 117.00 118.11 2bk4 n LEU 486 Ca 0.00 1.19 -0.32 0.00 -0.03 0.00 0.00 56.01 56.86 2bk4 n LEU 486 Cb 0.10 -1.60 0.03 0.00 -2.33 0.00 0.00 43.42 39.62 2bk4 n LEU 486 CO 0.11 -0.01 0.71 -2.16 -1.33 0.00 0.00 177.39 174.71 2bk4 s PRO 487 N -2.21 3.08 1.14 3.23 0.04 -1.26 -4.96 135.00 134.06 2bk4 s PRO 487 Ca 0.56 1.07 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 2bk4 s PRO 487 Cb -0.47 -2.01 0.26 0.00 0.04 0.00 0.00 34.50 32.32 2bk4 s PRO 487 CO 0.61 -0.99 1.11 -1.54 0.04 0.00 0.00 177.00 176.23 2bk4 s SER 488 N -3.34 1.45 0.06 6.66 1.04 -1.26 -4.79 113.70 113.53 2bk4 s SER 488 Ca 0.61 0.78 -0.27 0.00 0.48 0.00 0.00 55.95 57.54 2bk4 s SER 488 Cb -0.15 -1.15 -0.17 0.00 0.10 0.00 0.00 66.02 64.65 2bk4 s SER 488 CO 0.47 -3.81 1.58 0.58 0.98 0.00 0.00 173.24 173.04 2bk4 h VAL 489 N -2.36 0.69 -0.05 5.02 2.07 -1.91 -0.77 116.25 118.93 2bk4 h VAL 489 Ca -0.48 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2bk4 h VAL 489 Cb 1.31 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2bk4 h VAL 489 CO 0.42 0.03 -0.12 1.55 0.02 0.00 0.00 177.57 179.47 2bk4 h PRO 490 N -0.53 0.08 -0.36 1.57 0.13 -1.97 -1.86 132.00 129.07 2bk4 h PRO 490 Ca -0.04 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2bk4 h PRO 490 Cb 0.39 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 2bk4 h PRO 490 CO 0.07 0.21 0.22 0.78 -0.23 0.00 0.00 178.00 179.05 2bk4 h GLY 491 N 0.50 0.50 1.02 1.56 0.00 -1.87 -1.21 103.07 103.57 2bk4 h GLY 491 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2bk4 h GLY 491 CO 0.02 0.16 0.45 -2.00 0.00 0.00 0.00 176.54 175.17 2bk4 h LEU 492 N 0.46 1.02 -1.06 3.11 5.85 -0.61 -2.57 115.31 121.49 2bk4 h LEU 492 Ca 0.14 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2bk4 h LEU 492 Cb -0.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2bk4 h LEU 492 CO -0.05 0.82 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.76 2bk4 h LEU 493 N 1.13 0.60 -0.45 2.25 3.38 -1.11 -1.17 115.31 119.93 2bk4 h LEU 493 Ca 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2bk4 h LEU 493 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2bk4 h LEU 493 CO -0.05 0.69 0.25 0.03 0.09 0.00 0.00 178.44 179.46 2bk4 h ARG 494 N 0.59 0.63 -0.49 1.13 3.08 -1.04 0.11 114.38 118.40 2bk4 h ARG 494 Ca 0.12 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2bk4 h ARG 494 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2bk4 h ARG 494 CO 0.02 0.50 0.23 -0.07 -1.07 0.00 0.00 179.97 179.57 2bk4 h LEU 495 N 0.60 0.61 -0.34 3.04 4.07 -1.03 -1.11 115.31 121.15 2bk4 h LEU 495 Ca 0.16 -0.06 -0.19 0.00 0.08 0.00 0.00 57.88 57.87 2bk4 h LEU 495 Cb 0.04 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2bk4 h LEU 495 CO -0.03 0.53 -0.69 0.40 -1.08 0.00 0.00 178.44 177.57 2bk4 h ILE 496 N 0.69 1.33 -0.94 1.22 2.04 -0.96 -2.80 117.51 118.08 2bk4 h ILE 496 Ca 0.17 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 2bk4 h ILE 496 Cb 0.09 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2bk4 h ILE 496 CO -0.02 0.61 0.55 1.23 0.00 0.00 0.00 178.15 180.52 2bk4 h GLY 497 N 0.96 1.38 1.64 5.37 0.00 -0.17 -2.51 103.07 109.73 2bk4 h GLY 497 Ca -0.03 -0.59 -0.27 0.00 0.00 0.00 0.00 47.33 46.45 2bk4 h GLY 497 CO 0.13 0.57 -1.24 1.41 0.00 0.00 0.00 176.54 177.41 2bk4 h LEU 498 N 1.30 0.35 -0.78 3.11 3.38 -1.24 -2.40 115.31 119.02 2bk4 h LEU 498 Ca 0.34 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2bk4 h LEU 498 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2bk4 h LEU 498 CO -0.06 1.30 -0.49 0.74 0.09 0.00 0.00 178.44 180.03 2bk4 h THR 499 N 0.06 1.34 0.00 0.22 2.02 -1.52 -2.73 112.91 112.29 2bk4 h THR 499 Ca -0.13 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2bk4 h THR 499 Cb 1.95 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 2bk4 h THR 499 CO 0.19 0.51 0.00 0.41 0.37 0.00 0.00 175.52 177.00 2bk4 n THR 500 N -3.97 0.56 0.63 3.16 -1.04 -0.95 -5.11 114.28 107.56 2bk4 n THR 500 Ca -0.02 -0.23 0.08 0.00 -2.04 0.00 0.00 64.05 61.84 2bk4 n THR 500 Cb 0.54 -0.61 0.06 0.00 -1.82 0.00 0.00 70.33 68.50 2bk4 n THR 500 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05