#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bk5 h ALA 0 N 0.00 1.24 0.59 5.20 0.00 -1.89 -2.14 119.26 122.26 3bk5 h ALA 0 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3bk5 h ALA 0 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3bk5 h ALA 0 CO 0.00 0.50 -0.37 0.93 0.00 0.00 0.00 179.25 180.31 3bk5 h GLU 1 N 0.53 -0.88 -0.44 0.00 5.08 -2.00 -1.84 114.58 115.03 3bk5 h GLU 1 Ca 0.10 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3bk5 h GLU 1 Cb 0.45 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3bk5 h GLU 1 CO 0.02 -0.59 0.27 -0.22 -1.00 0.00 0.00 179.01 177.50 3bk5 h LYS 2 N -0.91 0.60 -0.65 2.33 3.64 -1.95 -0.39 116.57 119.24 3bk5 h LYS 2 Ca -0.07 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.39 3bk5 h LYS 2 Cb 0.74 -0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.32 3bk5 h LYS 2 CO 0.07 0.44 -0.03 0.78 -2.27 0.00 0.00 179.45 178.43 3bk5 h GLY 3 N 0.59 0.65 1.10 5.01 0.00 -1.49 0.00 103.07 108.94 3bk5 h GLY 3 Ca 0.16 0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 3bk5 h GLY 3 CO -0.03 -0.23 -0.18 -2.00 0.00 0.00 0.00 176.54 174.10 3bk5 h LEU 4 N 0.09 1.03 -0.03 3.11 5.85 -0.43 -2.32 115.31 122.61 3bk5 h LEU 4 Ca 0.34 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3bk5 h LEU 4 Cb 0.56 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3bk5 h LEU 4 CO -0.59 1.18 0.02 -0.08 -0.34 0.00 0.00 178.44 178.63 3bk5 h GLU 5 N 0.87 0.05 -0.55 1.25 4.81 -0.58 0.71 114.58 121.14 3bk5 h GLU 5 Ca 0.12 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3bk5 h GLU 5 Cb 0.76 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.07 3bk5 h GLU 5 CO 0.06 0.15 0.21 0.82 -0.73 0.00 0.00 179.01 179.52 3bk5 h ILE 6 N -0.07 0.81 -0.40 2.32 2.04 -1.02 -1.58 117.51 119.61 3bk5 h ILE 6 Ca 0.01 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 3bk5 h ILE 6 Cb 0.12 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3bk5 h ILE 6 CO -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 178.15 178.20 3bk5 h ALA 7 N 1.37 0.54 -0.84 1.87 0.00 -1.19 0.01 119.26 121.02 3bk5 h ALA 7 Ca 0.27 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3bk5 h ALA 7 Cb 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3bk5 h ALA 7 CO -0.27 0.34 0.55 1.96 0.00 0.00 0.00 179.25 181.83 3bk5 h GLN 8 N 0.54 1.03 -0.36 0.00 4.20 -0.56 -0.97 115.11 118.99 3bk5 h GLN 8 Ca 0.11 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3bk5 h GLN 8 Cb 0.50 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3bk5 h GLN 8 CO 0.02 0.68 -0.19 1.49 -0.67 0.00 0.00 178.83 180.16 3bk5 h GLU 9 N 1.06 0.77 -0.94 1.46 4.81 -0.75 0.11 114.58 121.11 3bk5 h GLU 9 Ca 0.33 -0.35 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 3bk5 h GLU 9 Cb 0.00 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.28 3bk5 h GLU 9 CO -0.09 0.97 0.56 -0.09 -0.73 0.00 0.00 179.01 179.62 3bk5 h ARG 10 N 0.57 0.82 -0.03 1.92 2.43 -0.68 0.17 114.38 119.57 3bk5 h ARG 10 Ca 0.08 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 3bk5 h ARG 10 Cb 0.74 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3bk5 h ARG 10 CO 0.06 0.54 -0.55 -0.22 -1.51 0.00 0.00 179.97 178.29 3bk5 h LYS 11 N 0.84 0.43 -0.53 0.20 1.63 -0.94 -3.21 116.57 114.99 3bk5 h LYS 11 Ca 0.49 -0.42 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 3bk5 h LYS 11 Cb 0.57 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.29 3bk5 h LYS 11 CO -0.30 1.07 0.20 0.00 -3.45 0.00 0.00 179.45 176.96 3bk5 h ALA 12 N 0.37 1.36 0.00 5.00 0.00 -0.60 -1.81 119.26 123.58 3bk5 h ALA 12 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3bk5 h ALA 12 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3bk5 h ALA 12 CO 0.11 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.38 3bk5 n ARG 13 N -4.33 0.04 -0.74 0.00 1.74 0.01 -3.09 116.66 110.28 3bk5 n ARG 13 Ca 0.04 0.23 -0.01 0.00 -0.77 0.00 0.00 57.85 57.34 3bk5 n ARG 13 Cb 0.17 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.31 3bk5 n ARG 13 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bk5 n ASP 14 N -1.47 2.18 -4.75 0.55 2.03 -0.68 -4.75 116.55 109.66 3bk5 n ASP 14 Ca 0.04 -3.84 -0.36 0.00 0.52 0.00 0.00 54.79 51.15 3bk5 n ASP 14 Cb 0.17 -0.60 -0.08 0.00 -0.72 0.00 0.00 41.12 39.89 3bk5 n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3bk5 s GLU 15 N -3.26 3.44 0.00 -0.67 2.56 -1.18 -4.61 118.70 114.99 3bk5 s GLU 15 Ca 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 54.97 55.11 3bk5 s GLU 15 Cb 0.39 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 33.46 3bk5 s GLU 15 CO -0.03 0.61 0.00 0.41 -0.56 0.00 0.00 175.26 175.69 3bk5 n GLY 16 N 2.48 0.69 0.27 -1.50 0.00 -1.26 -4.99 105.19 100.88 3bk5 n GLY 16 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3bk5 n GLY 16 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3bk5 h TRP 17 N 0.00 0.00 0.00 1.61 5.08 -2.00 -3.47 115.95 117.17 3bk5 h TRP 17 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3bk5 h TRP 17 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3bk5 h TRP 17 CO 0.00 0.10 0.00 0.41 -1.28 0.00 0.00 178.44 177.67 3bk5 n GLY 18 N -0.63 2.26 3.57 11.11 0.00 -1.26 -4.28 105.19 115.95 3bk5 n GLY 18 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3bk5 n GLY 18 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bk5 s ASP 19 N -1.58 -0.27 0.05 1.61 -4.77 -1.26 -0.07 116.67 110.37 3bk5 s ASP 19 Ca 0.00 -0.49 -0.23 0.00 -3.30 0.00 0.00 52.55 48.53 3bk5 s ASP 19 Cb 0.00 0.60 0.05 0.00 -1.09 0.00 0.00 42.92 42.49 3bk5 s ASP 19 CO 0.00 -1.10 0.53 -0.94 0.70 0.00 0.00 175.17 174.37 3bk5 s SER 20 N -2.88 -0.46 -0.14 2.11 1.04 -0.39 -0.67 113.70 112.32 3bk5 s SER 20 Ca 0.10 0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 3bk5 s SER 20 Cb -0.02 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3bk5 s SER 20 CO -0.01 -0.73 -0.07 -0.63 0.98 0.00 0.00 173.24 172.77 3bk5 s ILE 21 N -2.49 1.09 -0.13 -1.02 1.01 0.20 -0.94 121.20 118.92 3bk5 s ILE 21 Ca -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3bk5 s ILE 21 Cb -0.01 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3bk5 s ILE 21 CO -0.02 0.28 0.01 0.00 0.00 0.00 0.00 174.94 175.21 3bk5 s ALA 22 N 1.67 3.24 -0.01 9.38 0.00 0.50 -1.42 121.76 135.13 3bk5 s ALA 22 Ca 0.03 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 3bk5 s ALA 22 Cb -0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 3bk5 s ALA 22 CO -0.08 0.37 0.36 0.99 0.00 0.00 0.00 175.76 177.39 3bk5 s THR 23 N -0.18 5.13 0.00 0.00 2.01 -0.21 -0.67 115.64 121.72 3bk5 s THR 23 Ca 0.05 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3bk5 s THR 23 Cb -0.12 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.74 3bk5 s THR 23 CO 0.02 0.53 0.00 1.21 -0.69 0.00 0.00 174.62 175.69 3bk5 n GLU 25 N 1.68 0.00 -3.26 4.92 2.13 0.11 -1.00 120.64 125.22 3bk5 n GLU 25 Ca -0.14 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.71 3bk5 n GLU 25 Cb 0.53 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.20 3bk5 n GLU 25 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3bk5 s ILE 27 N -2.98 -0.11 -0.24 6.31 1.01 0.24 -0.92 121.20 124.50 3bk5 s ILE 27 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 3bk5 s ILE 27 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 3bk5 s ILE 27 CO 0.00 0.00 0.05 -0.76 0.00 0.00 0.00 174.94 174.23 3bk5 s LEU 28 N 2.00 3.33 -0.76 2.97 1.02 0.43 -0.21 118.68 127.46 3bk5 s LEU 28 Ca -0.01 -0.24 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 3bk5 s LEU 28 Cb -0.02 -1.89 0.19 0.00 0.02 0.00 0.00 46.19 44.50 3bk5 s LEU 28 CO -0.16 -0.03 0.62 -0.54 0.02 0.00 0.00 176.35 176.26 3bk5 s LYS 29 N 1.59 2.95 -0.04 1.70 1.02 0.29 -1.46 119.74 125.78 3bk5 s LYS 29 Ca 0.06 -2.91 0.06 0.00 0.02 0.00 0.00 55.97 53.20 3bk5 s LYS 29 Cb -0.15 -3.86 0.09 0.00 -0.52 0.00 0.00 37.83 33.39 3bk5 s LYS 29 CO 0.02 -1.23 0.94 0.27 -0.92 0.00 0.00 175.35 174.44 3bk5 n ASN 30 N 2.91 1.29 0.00 2.83 6.94 -1.25 -1.30 115.26 126.69 3bk5 n ASN 30 Ca 0.15 -2.12 0.00 0.00 -0.02 0.00 0.00 54.58 52.59 3bk5 n ASN 30 Cb 0.38 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3bk5 n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bk5 n ALA 31 N -0.58 0.00 -2.81 -2.53 0.00 -1.26 -5.02 120.51 108.31 3bk5 n ALA 31 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 3bk5 n ALA 31 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 3bk5 n ALA 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bk5 n GLN 32 N 0.00 4.23 0.05 0.00 6.02 -1.26 -4.87 117.38 121.55 3bk5 n GLN 32 Ca 0.00 -4.78 0.00 0.00 -0.01 0.00 0.00 57.00 52.21 3bk5 n GLN 32 Cb 0.00 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 28.92 3bk5 n GLN 32 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3bk5 n GLU 34 N -0.14 0.00 -3.81 -1.09 0.00 -1.26 -5.18 120.64 109.16 3bk5 n GLU 34 Ca 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.42 3bk5 n GLU 34 Cb 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.66 3bk5 n GLU 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3bk5 s SER 35 N -2.58 -0.16 -0.04 4.31 0.15 -1.26 -3.74 113.70 110.38 3bk5 s SER 35 Ca 0.00 0.23 -0.06 0.00 0.70 0.00 0.00 55.95 56.83 3bk5 s SER 35 Cb 0.00 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 3bk5 s SER 35 CO 0.00 -0.21 0.14 -0.94 1.20 0.00 0.00 173.24 173.44 3bk5 s SER 36 N -0.47 -0.09 -0.07 5.45 1.04 -0.54 -5.00 113.70 114.02 3bk5 s SER 36 Ca -0.06 0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.55 3bk5 s SER 36 Cb -0.04 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 3bk5 s SER 36 CO 0.01 -0.15 -0.22 -0.89 0.98 0.00 0.00 173.24 172.97 3bk5 s THR 37 N -0.39 1.87 0.12 2.02 2.01 -1.26 -0.43 115.64 119.58 3bk5 s THR 37 Ca -0.05 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.12 3bk5 s THR 37 Cb -0.03 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3bk5 s THR 37 CO 0.01 0.52 -0.26 -0.13 -0.69 0.00 0.00 174.62 174.07 3bk5 s ARG 38 N 0.13 1.36 0.19 4.92 0.52 -1.26 -4.33 118.95 120.48 3bk5 s ARG 38 Ca -0.10 -1.30 0.08 0.00 -0.52 0.00 0.00 55.73 53.88 3bk5 s ARG 38 Cb -0.15 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3bk5 s ARG 38 CO 0.05 0.43 -0.02 -0.51 0.02 0.00 0.00 175.30 175.27 3bk5 s LEU 39 N -2.00 3.21 0.01 2.53 1.02 -0.01 -4.31 118.68 119.14 3bk5 s LEU 39 Ca 0.12 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 53.81 3bk5 s LEU 39 Cb -0.10 -1.85 -0.01 0.00 0.02 0.00 0.00 46.19 44.25 3bk5 s LEU 39 CO 0.06 0.08 -0.06 -0.13 0.02 0.00 0.00 176.35 176.31 3bk5 s ARG 41 N -3.03 0.48 -0.19 1.70 0.52 -0.10 0.14 118.95 118.47 3bk5 s ARG 41 Ca 0.27 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 3bk5 s ARG 41 Cb -0.09 -0.38 0.03 0.00 0.52 0.00 0.00 34.95 35.03 3bk5 s ARG 41 CO 0.18 0.09 -0.15 -1.17 0.02 0.00 0.00 175.30 174.27 3bk5 s LEU 42 N -0.70 2.21 -0.16 2.53 2.96 0.15 -1.03 118.68 124.63 3bk5 s LEU 42 Ca -0.03 -0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 53.05 3bk5 s LEU 42 Cb -0.05 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 3bk5 s LEU 42 CO 0.00 -0.08 0.08 -0.54 -1.32 0.00 0.00 176.35 174.49 3bk5 s LYS 43 N 1.35 3.80 0.03 1.98 1.02 0.67 -0.37 119.74 128.22 3bk5 s LYS 43 Ca 0.02 -0.30 0.05 0.00 0.02 0.00 0.00 55.97 55.76 3bk5 s LYS 43 Cb -0.15 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3bk5 s LYS 43 CO -0.10 0.42 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.46 3bk5 s SER 44 N -0.02 1.88 -0.02 2.83 0.01 -0.12 0.02 113.70 118.28 3bk5 s SER 44 Ca 0.07 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.91 3bk5 s SER 44 Cb -0.12 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.99 3bk5 s SER 44 CO 0.01 0.10 0.03 -0.22 0.41 0.00 0.00 173.24 173.56 3bk5 s LEU 45 N -0.95 1.06 0.12 2.44 2.96 -0.44 -1.26 118.68 122.62 3bk5 s LEU 45 Ca 0.04 0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.72 3bk5 s LEU 45 Cb -0.08 -0.10 -0.07 0.00 0.50 0.00 0.00 46.19 46.45 3bk5 s LEU 45 CO 0.01 -0.13 0.82 -0.70 -1.32 0.00 0.00 176.35 175.03 3bk5 s GLU 46 N 1.10 4.59 -0.14 1.98 2.12 0.90 -1.73 118.70 127.51 3bk5 s GLU 46 Ca -0.09 1.20 0.02 0.00 0.36 0.00 0.00 54.97 56.47 3bk5 s GLU 46 Cb -0.13 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3bk5 s GLU 46 CO -0.03 0.40 -0.20 0.08 -0.54 0.00 0.00 175.26 174.97 3bk5 s VAL 47 N -0.55 2.24 -0.13 3.70 1.01 -1.26 -4.91 120.40 120.50 3bk5 s VAL 47 Ca 0.39 -0.92 -0.33 0.00 0.00 0.00 0.00 61.98 61.12 3bk5 s VAL 47 Cb -0.22 -1.90 -0.11 0.00 0.00 0.00 0.00 36.38 34.15 3bk5 s VAL 47 CO 0.26 0.54 1.98 -0.62 0.00 0.00 0.00 175.10 177.26 3bk5 n GLU 48 N 3.97 2.06 -1.29 2.72 -0.58 -1.26 -2.01 120.64 124.25 3bk5 n GLU 48 Ca -0.20 0.72 -0.10 0.00 -0.42 0.00 0.00 57.16 57.16 3bk5 n GLU 48 Cb 0.52 -2.73 -0.04 0.00 -0.57 0.00 0.00 31.44 28.61 3bk5 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bk5 n GLY 49 N 4.90 1.11 3.42 0.62 0.00 -1.26 -4.99 105.19 108.99 3bk5 n GLY 49 Ca 0.26 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 3bk5 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bk5 s ASP 50 N -2.90 1.33 1.14 1.61 -1.08 -0.85 -4.93 116.67 110.99 3bk5 s ASP 50 Ca 0.00 -1.64 -0.16 0.00 -0.52 0.00 0.00 52.55 50.23 3bk5 s ASP 50 Cb 0.00 0.65 0.26 0.00 -1.46 0.00 0.00 42.92 42.36 3bk5 s ASP 50 CO 0.00 -1.25 1.08 -0.83 0.52 0.00 0.00 175.17 174.70 3bk5 s GLY 51 N -3.31 1.56 0.59 2.66 0.00 -1.00 -4.46 107.32 103.36 3bk5 s GLY 51 Ca 0.35 -0.66 -0.16 0.00 0.00 0.00 0.00 44.72 44.25 3bk5 s GLY 51 CO 0.24 0.12 1.05 0.99 0.00 0.00 0.00 173.10 175.50 3bk5 s ASP 52 N -3.56 5.89 0.01 1.64 1.01 -1.26 -4.16 116.67 116.23 3bk5 s ASP 52 Ca 0.68 1.77 0.00 0.00 0.71 0.00 0.00 52.55 55.71 3bk5 s ASP 52 Cb -0.15 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3bk5 s ASP 52 CO 0.58 -1.10 0.08 -0.54 0.21 0.00 0.00 175.17 174.40 3bk5 s LYS 53 N -4.13 3.05 -0.03 8.23 1.02 -0.71 -0.75 119.74 126.43 3bk5 s LYS 53 Ca 0.63 -0.51 -0.02 0.00 0.02 0.00 0.00 55.97 56.09 3bk5 s LYS 53 Cb -0.15 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3bk5 s LYS 53 CO 0.37 0.64 0.07 0.20 -0.92 0.00 0.00 175.35 175.71 3bk5 s GLY 54 N -1.83 -0.01 -0.18 -3.33 0.00 -0.22 -1.32 107.32 100.42 3bk5 s GLY 54 Ca 0.24 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.26 3bk5 s GLY 54 CO 0.15 0.43 -0.08 -2.27 0.00 0.00 0.00 173.10 171.33 3bk5 s LEU 55 N 0.49 1.98 -0.17 0.66 2.96 0.10 -1.12 118.68 123.59 3bk5 s LEU 55 Ca -0.04 -0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 53.02 3bk5 s LEU 55 Cb -0.05 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 3bk5 s LEU 55 CO -0.02 -0.16 0.07 -0.89 -1.32 0.00 0.00 176.35 174.04 3bk5 s THR 56 N 1.50 4.89 -0.09 3.68 2.01 -0.16 -0.24 115.64 127.24 3bk5 s THR 56 Ca -0.00 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 3bk5 s THR 56 Cb -0.16 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.19 3bk5 s THR 56 CO -0.08 0.49 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.61 3bk5 s ILE 57 N 0.08 1.09 0.10 1.82 1.01 -0.20 -0.36 121.20 124.73 3bk5 s ILE 57 Ca 0.06 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 3bk5 s ILE 57 Cb -0.12 -1.04 -0.07 0.00 0.01 0.00 0.00 42.46 41.24 3bk5 s ILE 57 CO 0.00 0.36 0.70 -0.36 0.00 0.00 0.00 174.94 175.64 3bk5 s PHE 58 N 1.13 3.82 -0.08 3.97 0.08 -0.08 -0.93 117.98 125.90 3bk5 s PHE 58 Ca -0.06 1.46 0.06 0.00 0.12 0.00 0.00 56.93 58.51 3bk5 s PHE 58 Cb -0.14 -2.69 -0.09 0.00 -0.57 0.00 0.00 43.02 39.53 3bk5 s PHE 58 CO -0.02 0.47 0.01 -0.25 -0.10 0.00 0.00 175.22 175.33 3bk5 n ASP 59 N 1.99 3.18 -3.73 1.36 10.43 0.12 -0.26 116.55 129.64 3bk5 n ASP 59 Ca -0.06 -0.01 -0.14 0.00 2.57 0.00 0.00 54.79 57.15 3bk5 n ASP 59 Cb 0.50 0.53 -0.08 0.00 1.84 0.00 0.00 41.12 43.91 3bk5 n ASP 59 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3bk5 s GLN 60 N -2.18 0.73 0.00 -1.24 -1.52 -1.10 -4.47 119.66 109.88 3bk5 s GLN 60 Ca -0.05 -0.20 0.00 0.00 -1.95 0.00 0.00 55.36 53.16 3bk5 s GLN 60 Cb 0.02 0.33 0.00 0.00 -0.22 0.00 0.00 33.01 33.14 3bk5 s GLN 60 CO 0.29 -0.21 0.00 -0.35 -0.25 0.00 0.00 175.29 174.77 3bk5 n PRO 61 N 1.12 0.27 -0.03 2.91 -0.04 -1.26 -0.83 135.00 137.14 3bk5 n PRO 61 Ca -0.21 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.35 3bk5 n PRO 61 Cb 0.57 0.00 0.49 0.00 -0.04 0.00 0.00 33.50 34.52 3bk5 n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bk5 h ARG 62 N 0.00 0.40 0.00 0.54 3.08 -1.97 -2.03 114.38 114.39 3bk5 h ARG 62 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3bk5 h ARG 62 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3bk5 h ARG 62 CO 0.00 0.26 0.00 -0.40 -1.07 0.00 0.00 179.97 178.76 3bk5 n ASP 63 N -4.47 0.00 0.00 7.04 5.68 -1.26 -3.10 116.55 120.44 3bk5 n ASP 63 Ca 0.07 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 3bk5 n ASP 63 Cb 0.26 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 3bk5 n ASP 63 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3bk5 n VAL 64 N -1.36 0.00 -1.63 2.12 0.24 -0.82 -5.02 118.33 111.86 3bk5 n VAL 64 Ca 0.07 -0.31 -0.48 0.00 -2.04 0.00 0.00 64.34 61.58 3bk5 n VAL 64 Cb 0.16 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 3bk5 n VAL 64 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3bk5 n THR 65 N -0.60 0.16 0.00 3.34 -1.04 -0.90 -0.88 114.28 114.37 3bk5 n THR 65 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3bk5 n THR 65 Cb 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 3bk5 n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bk5 n GLY 66 N 2.84 3.09 3.76 3.41 0.00 0.64 -4.85 105.19 114.09 3bk5 n GLY 66 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3bk5 n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bk5 s THR 67 N -1.82 2.45 0.01 2.61 2.01 -0.06 -4.54 115.64 116.31 3bk5 s THR 67 Ca 0.00 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 3bk5 s THR 67 Cb 0.00 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 3bk5 s THR 67 CO 0.00 0.08 0.01 0.00 -0.69 0.00 0.00 174.62 174.02 3bk5 s ALA 68 N -0.53 -0.01 -0.10 7.40 0.00 -0.50 -0.90 121.76 127.13 3bk5 s ALA 68 Ca 0.56 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3bk5 s ALA 68 Cb -0.43 0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3bk5 s ALA 68 CO 0.51 -0.11 -0.11 0.12 0.00 0.00 0.00 175.76 176.16 3bk5 s PHE 69 N -0.89 1.65 -0.10 0.00 5.36 0.52 0.35 117.98 124.88 3bk5 s PHE 69 Ca -0.10 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.14 3bk5 s PHE 69 Cb -0.06 -1.26 -0.01 0.00 -0.34 0.00 0.00 43.02 41.35 3bk5 s PHE 69 CO -0.00 -0.45 -0.21 -1.17 -1.46 0.00 0.00 175.22 171.93 3bk5 s LEU 70 N 1.21 2.28 -0.07 6.12 2.96 -0.25 -0.99 118.68 129.94 3bk5 s LEU 70 Ca -0.04 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3bk5 s LEU 70 Cb -0.14 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.10 3bk5 s LEU 70 CO -0.03 0.18 -0.09 0.21 -1.32 0.00 0.00 176.35 175.30 3bk5 s ASN 71 N 0.21 1.74 -0.34 3.68 3.84 -0.27 -1.08 114.94 122.71 3bk5 s ASN 71 Ca -0.13 -0.27 -0.02 0.00 0.21 0.00 0.00 52.86 52.65 3bk5 s ASN 71 Cb -0.16 -0.76 0.07 0.00 -0.55 0.00 0.00 41.25 39.85 3bk5 s ASN 71 CO 0.07 -0.03 0.08 -1.00 -2.79 0.00 0.00 177.10 173.43 3bk5 s HIS 72 N 1.01 3.41 0.22 0.43 3.76 0.73 -1.06 115.29 123.80 3bk5 s HIS 72 Ca -0.08 -2.10 -0.30 0.00 -0.15 0.00 0.00 55.06 52.43 3bk5 s HIS 72 Cb -0.15 -2.57 -0.09 0.00 1.11 0.00 0.00 32.58 30.89 3bk5 s HIS 72 CO -0.00 -0.87 1.10 -1.12 -0.85 0.00 0.00 174.74 173.00 3bk5 s SER 73 N 1.45 7.26 0.04 1.40 0.01 0.08 -1.33 113.70 122.61 3bk5 s SER 73 Ca 0.01 2.17 0.06 0.00 1.31 0.00 0.00 55.95 59.50 3bk5 s SER 73 Cb -0.21 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.37 3bk5 s SER 73 CO -0.02 -0.19 -0.14 -1.00 0.41 0.00 0.00 173.24 172.30 3bk5 s HIS 74 N -0.64 2.67 0.04 2.43 3.76 -1.26 -2.36 115.29 119.94 3bk5 s HIS 74 Ca 0.47 -0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 55.03 3bk5 s HIS 74 Cb -0.31 -1.50 -0.21 0.00 1.11 0.00 0.00 32.58 31.68 3bk5 s HIS 74 CO 0.38 0.31 1.18 1.79 -0.85 0.00 0.00 174.74 177.55 3bk5 h THR 75 N 3.80 1.36 -3.34 1.30 1.35 -1.91 -3.45 112.91 112.02 3bk5 h THR 75 Ca -0.48 -2.03 -0.66 0.00 -0.55 0.00 0.00 66.41 62.70 3bk5 h THR 75 Cb 1.16 2.35 -0.27 0.00 -1.73 0.00 0.00 68.15 69.67 3bk5 h THR 75 CO 0.50 0.61 -0.76 -0.51 -0.25 0.00 0.00 175.52 175.11 3bk5 s ILE 76 N -3.44 3.08 0.00 6.82 1.10 -1.26 -4.16 121.20 123.33 3bk5 s ILE 76 Ca -0.12 -0.65 0.00 0.00 -0.51 0.00 0.00 60.65 59.37 3bk5 s ILE 76 Cb 0.05 -2.29 0.00 0.00 0.15 0.00 0.00 42.46 40.37 3bk5 s ILE 76 CO 0.86 0.53 0.00 0.61 -2.11 0.00 0.00 174.94 174.82 3bk5 n GLY 77 N 3.48 -2.12 3.75 1.50 0.00 -1.26 -4.95 105.19 105.60 3bk5 n GLY 77 Ca -0.18 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3bk5 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bk5 s ALA 78 N -1.03 3.48 0.71 4.61 0.00 -1.26 -4.71 121.76 123.56 3bk5 s ALA 78 Ca 0.00 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 3bk5 s ALA 78 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3bk5 s ALA 78 CO 0.00 -0.47 1.18 -0.51 0.00 0.00 0.00 175.76 175.96 3bk5 s ASP 79 N -0.29 4.47 -0.20 0.00 1.01 -1.26 -4.57 116.67 115.83 3bk5 s ASP 79 Ca 0.50 2.25 -0.17 0.00 0.71 0.00 0.00 52.55 55.85 3bk5 s ASP 79 Cb -0.36 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 40.95 3bk5 s ASP 79 CO 0.44 -2.07 0.44 -1.81 0.21 0.00 0.00 175.17 172.38 3bk5 s ASP 80 N -2.18 6.48 -0.01 0.27 1.01 -0.44 -4.86 116.67 116.95 3bk5 s ASP 80 Ca 0.72 0.58 0.01 0.00 0.71 0.00 0.00 52.55 54.57 3bk5 s ASP 80 Cb -0.27 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3bk5 s ASP 80 CO 0.44 -0.10 -0.05 -1.10 0.21 0.00 0.00 175.17 174.57 3bk5 s GLN 81 N 1.37 0.46 0.01 8.23 -0.21 -1.26 -0.19 119.66 128.06 3bk5 s GLN 81 Ca 0.21 -0.16 0.01 0.00 0.02 0.00 0.00 55.36 55.43 3bk5 s GLN 81 Cb -0.15 -0.46 -0.01 0.00 1.00 0.00 0.00 33.01 33.39 3bk5 s GLN 81 CO 0.09 0.08 -0.03 -1.58 -2.12 0.00 0.00 175.29 171.72 3bk5 s TRP 82 N 0.06 0.25 -0.12 0.91 0.51 -0.24 -0.04 118.94 120.28 3bk5 s TRP 82 Ca -0.00 -0.17 0.02 0.00 -2.12 0.00 0.00 56.10 53.83 3bk5 s TRP 82 Cb -0.04 -0.16 -0.01 0.00 -0.81 0.00 0.00 33.47 32.45 3bk5 s TRP 82 CO -0.00 -0.04 -0.18 -1.17 -0.51 0.00 0.00 176.95 175.04 3bk5 s LEU 83 N -0.45 2.41 -0.22 2.99 2.96 0.52 -1.09 118.68 125.80 3bk5 s LEU 83 Ca -0.03 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 3bk5 s LEU 83 Cb -0.03 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3bk5 s LEU 83 CO -0.00 0.16 0.12 -0.47 -1.32 0.00 0.00 176.35 174.84 3bk5 s TYR 84 N 0.35 3.28 -0.24 5.38 5.04 0.16 -0.03 117.35 131.28 3bk5 s TYR 84 Ca -0.15 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 3bk5 s TYR 84 Cb -0.17 -2.19 0.04 0.00 0.35 0.00 0.00 41.96 39.98 3bk5 s TYR 84 CO 0.07 0.08 -0.10 -0.51 -1.34 0.00 0.00 175.55 173.75 3bk5 s LEU 85 N 0.82 3.10 0.18 6.97 1.43 -0.96 -1.40 118.68 128.81 3bk5 s LEU 85 Ca 0.06 -0.99 0.24 0.00 -1.03 0.00 0.00 54.13 52.41 3bk5 s LEU 85 Cb -0.13 -1.60 0.91 0.00 0.03 0.00 0.00 46.19 45.40 3bk5 s LEU 85 CO 0.02 -0.13 1.74 -0.81 0.23 0.00 0.00 176.35 177.40 3bk5 n PRO 86 N 4.59 0.18 -0.07 1.29 -0.04 -1.26 -2.34 135.00 137.35 3bk5 n PRO 86 Ca -0.16 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 3bk5 n PRO 86 Cb 0.46 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 3bk5 n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bk5 h ALA 87 N 2.48 0.29 -0.30 0.55 0.00 -1.95 -2.52 119.26 117.80 3bk5 h ALA 87 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bk5 h ALA 87 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3bk5 h ALA 87 CO 0.00 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.17 3bk5 n LEU 88 N -5.08 2.82 -3.98 0.00 4.77 -1.23 -4.99 117.00 109.31 3bk5 n LEU 88 Ca -0.01 -1.74 -0.28 0.00 -0.03 0.00 0.00 56.01 53.96 3bk5 n LEU 88 Cb 0.12 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3bk5 n LEU 88 CO 0.27 0.67 -0.14 0.29 -1.33 0.00 0.00 177.39 177.15 3bk5 n LYS 89 N 0.69 -3.68 -4.63 3.23 5.02 -0.95 -4.97 118.16 112.86 3bk5 n LYS 89 Ca 0.12 0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 56.52 3bk5 n LYS 89 Cb 0.42 -4.82 -0.13 0.00 -0.02 0.00 0.00 35.03 30.48 3bk5 n LYS 89 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3bk5 s ARG 90 N -6.58 3.44 -0.19 1.97 1.81 -1.08 -4.97 118.95 113.34 3bk5 s ARG 90 Ca 0.23 -0.62 -0.16 0.00 -1.72 0.00 0.00 55.73 53.46 3bk5 s ARG 90 Cb -0.12 -2.73 -0.04 0.00 -0.45 0.00 0.00 34.95 31.61 3bk5 s ARG 90 CO 0.88 0.26 0.40 0.08 -0.68 0.00 0.00 175.30 176.24 3bk5 s VAL 91 N 0.26 5.20 -0.16 3.52 1.01 -1.26 -2.27 120.40 126.71 3bk5 s VAL 91 Ca -0.07 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 3bk5 s VAL 91 Cb -0.15 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3bk5 s VAL 91 CO 0.04 0.26 -0.08 -0.54 0.00 0.00 0.00 175.10 174.79 3bk5 s LYS 92 N 1.22 3.51 0.22 2.72 1.02 0.95 -4.96 119.74 124.41 3bk5 s LYS 92 Ca 0.19 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3bk5 s LYS 92 Cb -0.15 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.26 3bk5 s LYS 92 CO 0.08 0.15 1.27 0.50 -0.92 0.00 0.00 175.35 176.43 3bk5 s ARG 93 N 0.55 4.42 -0.33 1.68 3.52 -1.26 -0.36 118.95 127.17 3bk5 s ARG 93 Ca -0.05 2.02 -0.15 0.00 -0.13 0.00 0.00 55.73 57.41 3bk5 s ARG 93 Cb -0.15 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3bk5 s ARG 93 CO 0.03 -0.17 0.38 0.42 -0.81 0.00 0.00 175.30 175.14 3bk5 s ILE 94 N -0.18 5.15 0.36 4.11 -1.09 0.94 -4.91 121.20 125.58 3bk5 s ILE 94 Ca 0.54 0.13 -0.28 0.00 -2.23 0.00 0.00 60.65 58.81 3bk5 s ILE 94 Cb -0.36 -3.82 -0.10 0.00 -1.58 0.00 0.00 42.46 36.60 3bk5 s ILE 94 CO 0.40 -0.08 1.35 -0.55 -1.23 0.00 0.00 174.94 174.83 3bk5 s SER 95 N 1.73 6.55 0.47 3.58 0.15 -1.26 -4.43 113.70 120.49 3bk5 s SER 95 Ca 0.13 2.78 0.21 0.00 0.70 0.00 0.00 55.95 59.76 3bk5 s SER 95 Cb -0.16 -2.65 1.16 0.00 -1.71 0.00 0.00 66.02 62.65 3bk5 s SER 95 CO 0.12 -0.70 1.99 -1.28 1.20 0.00 0.00 173.24 174.57 3bk5 h SER 96 N 3.12 0.00 0.13 5.45 0.87 -1.96 0.05 113.55 121.20 3bk5 h SER 96 Ca -0.50 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3bk5 h SER 96 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3bk5 h SER 96 CO 0.64 0.19 -0.01 0.08 -0.53 0.00 0.00 176.83 177.20 3bk5 h ARG 97 N 0.00 0.00 -0.60 2.24 0.11 -1.93 -2.46 114.38 111.74 3bk5 h ARG 97 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3bk5 h ARG 97 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 3bk5 h ARG 97 CO 0.02 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.20 3bk5 n ASN 98 N -3.34 3.61 0.28 0.08 3.02 -0.01 -4.67 115.26 114.24 3bk5 n ASN 98 Ca -0.03 -2.00 0.18 0.00 -0.03 0.00 0.00 54.58 52.71 3bk5 n ASN 98 Cb 0.11 -0.40 0.95 0.00 -0.61 0.00 0.00 39.78 39.83 3bk5 n ASN 98 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3bk5 h LYS 99 N 3.59 0.00 0.00 3.52 2.10 -1.31 -2.13 116.57 122.34 3bk5 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3bk5 h LYS 99 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 3bk5 h LYS 99 CO 0.00 0.00 -0.07 -1.13 -2.00 0.00 0.00 179.45 176.25 3bk5 n SER 100 N -3.45 0.21 -4.78 7.07 3.41 -1.26 -0.95 113.62 113.87 3bk5 n SER 100 Ca -0.01 0.43 -0.32 0.00 -0.26 0.00 0.00 58.87 58.71 3bk5 n SER 100 Cb 0.23 -0.46 0.06 0.00 -0.26 0.00 0.00 64.21 63.79 3bk5 n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bk5 s GLY 101 N -3.12 1.87 0.35 5.00 0.00 -0.80 -4.69 107.32 105.93 3bk5 s GLY 101 Ca 0.13 0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.91 3bk5 s GLY 101 CO 0.56 0.67 1.19 2.56 0.00 0.00 0.00 173.10 178.08 3bk5 s PRO 102 N -4.59 4.30 -0.35 2.90 0.04 -1.26 -1.37 135.00 134.66 3bk5 s PRO 102 Ca 0.63 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.58 3bk5 s PRO 102 Cb -0.17 -2.92 0.20 0.00 0.04 0.00 0.00 34.50 31.64 3bk5 s PRO 102 CO 0.49 -0.14 2.15 0.34 0.04 0.00 0.00 177.00 179.88 3bk5 n PHE 103 N 0.57 1.60 0.00 0.56 7.35 0.37 -4.76 117.46 123.15 3bk5 n PHE 103 Ca 0.02 -2.00 0.00 0.00 -0.76 0.00 0.00 57.45 54.70 3bk5 n PHE 103 Cb 0.45 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.23 3bk5 n PHE 103 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bk5 n GLY 105 N 0.40 0.00 3.73 7.13 0.00 -1.26 -4.71 105.19 110.47 3bk5 n GLY 105 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 3bk5 n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bk5 n SER 106 N 0.00 1.96 -0.77 1.61 3.41 -1.26 -5.01 113.62 113.56 3bk5 n SER 106 Ca 0.00 -2.44 0.10 0.00 -0.26 0.00 0.00 58.87 56.27 3bk5 n SER 106 Cb 0.00 -0.42 0.28 0.00 -0.26 0.00 0.00 64.21 63.81 3bk5 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bk5 n GLU 107 N -2.25 1.99 -3.45 4.33 -0.58 -1.26 -4.74 120.64 114.68 3bk5 n GLU 107 Ca 0.16 -1.51 -0.37 0.00 -0.42 0.00 0.00 57.16 55.01 3bk5 n GLU 107 Cb 0.57 -1.40 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 3bk5 n GLU 107 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3bk5 s PHE 108 N -1.59 3.47 0.67 -0.32 0.08 -1.26 -5.00 117.98 114.03 3bk5 s PHE 108 Ca 0.33 0.69 -0.09 0.00 0.12 0.00 0.00 56.93 57.97 3bk5 s PHE 108 Cb 0.18 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 3bk5 s PHE 108 CO 0.25 0.19 1.02 0.00 -0.10 0.00 0.00 175.22 176.58 3bk5 s ALA 109 N 0.59 3.06 0.32 5.36 0.00 -1.26 -0.48 121.76 129.35 3bk5 s ALA 109 Ca 0.20 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3bk5 s ALA 109 Cb -0.14 -2.83 0.58 0.00 0.00 0.00 0.00 23.12 20.73 3bk5 s ALA 109 CO 0.06 -1.04 1.95 1.88 0.00 0.00 0.00 175.76 178.61 3bk5 h TYR 110 N -0.48 0.93 0.00 0.00 0.05 -0.89 -1.02 116.97 115.55 3bk5 h TYR 110 Ca -0.45 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3bk5 h TYR 110 Cb 1.26 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.69 3bk5 h TYR 110 CO 0.47 0.53 0.00 1.05 -1.05 0.00 0.00 178.16 179.16 3bk5 h GLU 111 N 0.96 0.00 0.00 4.88 4.11 -1.33 -1.98 114.58 121.22 3bk5 h GLU 111 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3bk5 h GLU 111 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3bk5 h GLU 111 CO -0.10 0.00 -0.14 -0.25 0.07 0.00 0.00 179.01 178.59 3bk5 n ASP 112 N -2.56 0.28 -1.91 3.06 8.00 -0.39 -3.41 116.55 119.63 3bk5 n ASP 112 Ca 0.02 0.34 0.05 0.00 0.71 0.00 0.00 54.79 55.90 3bk5 n ASP 112 Cb 0.26 -0.36 0.39 0.00 -0.02 0.00 0.00 41.12 41.39 3bk5 n ASP 112 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3bk5 n LEU 113 N -1.67 5.81 -4.87 0.64 4.77 -0.74 -4.88 117.00 116.06 3bk5 n LEU 113 Ca 0.06 -2.99 -0.21 0.00 -0.03 0.00 0.00 56.01 52.84 3bk5 n LEU 113 Cb 0.36 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3bk5 n LEU 113 CO 0.30 0.66 -0.05 -0.94 -1.33 0.00 0.00 177.39 176.03 3bk5 s SER 114 N -0.85 5.26 0.47 -1.43 1.04 -1.22 -4.91 113.70 112.06 3bk5 s SER 114 Ca 0.55 -0.54 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 3bk5 s SER 114 Cb 0.42 -0.88 -0.09 0.00 0.10 0.00 0.00 66.02 65.57 3bk5 s SER 114 CO 0.15 -0.44 0.99 -0.94 0.98 0.00 0.00 173.24 173.98 3bk5 s SER 115 N -4.04 6.66 0.06 7.02 1.04 -1.26 -4.98 113.70 118.20 3bk5 s SER 115 Ca 0.43 1.75 -0.31 0.00 0.48 0.00 0.00 55.95 58.30 3bk5 s SER 115 Cb -0.05 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 3bk5 s SER 115 CO 0.27 -0.55 1.67 0.12 0.98 0.00 0.00 173.24 175.72 3bk5 s PHE 116 N -2.20 2.35 -0.01 5.02 5.36 -1.26 -4.93 117.98 122.32 3bk5 s PHE 116 Ca 0.63 0.28 0.02 0.00 -0.96 0.00 0.00 56.93 56.90 3bk5 s PHE 116 Cb -0.12 -3.98 -0.00 0.00 -0.34 0.00 0.00 43.02 38.58 3bk5 s PHE 116 CO 0.19 -3.95 -0.07 -1.21 -1.46 0.00 0.00 175.22 168.72 3bk5 s GLU 117 N 2.79 0.56 0.28 10.12 0.41 -1.26 -5.00 118.70 126.59 3bk5 s GLU 117 Ca 0.75 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.07 3bk5 s GLU 117 Cb -0.40 -0.54 0.40 0.00 -1.78 0.00 0.00 34.13 31.81 3bk5 s GLU 117 CO 0.32 0.13 1.77 0.82 -0.49 0.00 0.00 175.26 177.82 3bk5 h ILE 118 N 5.05 1.24 0.00 -1.63 2.04 -1.94 -2.90 117.51 119.35 3bk5 h ILE 118 Ca -0.30 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3bk5 h ILE 118 Cb 1.18 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3bk5 h ILE 118 CO 0.50 0.35 0.00 -0.62 0.00 0.00 0.00 178.15 178.37 3bk5 n GLU 119 N -4.21 0.05 0.00 2.37 4.71 -1.26 -2.45 120.64 119.85 3bk5 n GLU 119 Ca 0.02 0.36 0.13 0.00 -0.01 0.00 0.00 57.16 57.66 3bk5 n GLU 119 Cb 0.31 -1.60 0.35 0.00 -1.01 0.00 0.00 31.44 29.49 3bk5 n GLU 119 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3bk5 n LYS 120 N -1.69 0.30 -4.08 3.49 5.02 -1.10 -4.89 118.16 115.22 3bk5 n LYS 120 Ca 0.02 -0.16 -0.07 0.00 -2.02 0.00 0.00 58.31 56.08 3bk5 n LYS 120 Cb 0.14 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 3bk5 n LYS 120 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3bk5 s TYR 121 N -2.81 0.49 -0.14 2.13 2.02 -1.03 -1.31 117.35 116.71 3bk5 s TYR 121 Ca 0.17 -1.02 -0.06 0.00 -0.37 0.00 0.00 57.07 55.78 3bk5 s TYR 121 Cb 0.18 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 3bk5 s TYR 121 CO 0.61 -0.37 0.08 1.03 -1.57 0.00 0.00 175.55 175.33 3bk5 s ARG 122 N -3.77 3.54 0.14 -0.62 0.52 0.34 -4.88 118.95 114.21 3bk5 s ARG 122 Ca 0.06 -0.27 0.09 0.00 -0.52 0.00 0.00 55.73 55.09 3bk5 s ARG 122 Cb 0.07 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 3bk5 s ARG 122 CO -0.09 0.58 -0.15 -0.06 0.02 0.00 0.00 175.30 175.59 3bk5 s PHE 123 N -0.48 2.57 -0.23 -0.53 0.08 -1.26 -0.53 117.98 117.60 3bk5 s PHE 123 Ca 0.11 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 3bk5 s PHE 123 Cb -0.12 -1.32 0.11 0.00 -0.57 0.00 0.00 43.02 41.12 3bk5 s PHE 123 CO 0.02 0.44 0.46 1.21 -0.10 0.00 0.00 175.22 177.24 3bk5 s ASN 124 N -2.38 -0.38 0.03 1.36 2.47 -0.46 -4.51 114.94 111.06 3bk5 s ASN 124 Ca 0.20 0.93 -0.30 0.00 0.42 0.00 0.00 52.86 54.11 3bk5 s ASN 124 Cb -0.10 1.51 -0.05 0.00 -1.45 0.00 0.00 41.25 41.17 3bk5 s ASN 124 CO 0.12 -0.24 1.20 -2.28 -3.72 0.00 0.00 177.10 172.17 3bk5 s HIS 125 N 2.66 3.36 -0.21 0.43 5.65 -0.84 -0.33 115.29 126.02 3bk5 s HIS 125 Ca 0.02 1.28 -0.16 0.00 0.25 0.00 0.00 55.06 56.45 3bk5 s HIS 125 Cb -0.13 -3.41 -0.12 0.00 -1.18 0.00 0.00 32.58 27.74 3bk5 s HIS 125 CO -0.15 -1.27 -0.11 1.28 -0.65 0.00 0.00 174.74 173.84 3bk5 n LEU 126 N 4.31 1.89 -3.68 8.88 4.77 -0.20 -3.17 117.00 129.79 3bk5 n LEU 126 Ca 0.09 0.43 0.02 0.00 -0.03 0.00 0.00 56.01 56.53 3bk5 n LEU 126 Cb 0.46 -0.87 -0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3bk5 n LEU 126 CO 0.55 0.11 1.09 -1.59 -1.33 0.00 0.00 177.39 176.23 3bk5 s LYS 127 N -2.46 0.34 0.21 3.23 -2.85 -1.12 -4.95 119.74 112.15 3bk5 s LYS 127 Ca -0.29 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 3bk5 s LYS 127 Cb 0.07 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 3bk5 s LYS 127 CO 0.46 -0.16 0.39 -0.51 0.10 0.00 0.00 175.35 175.64 3bk5 s ASP 128 N -3.15 6.37 0.16 0.03 1.01 -1.26 -0.14 116.67 119.69 3bk5 s ASP 128 Ca 0.17 0.36 -0.15 0.00 0.71 0.00 0.00 52.55 53.65 3bk5 s ASP 128 Cb 0.04 -1.99 0.02 0.00 1.01 0.00 0.00 42.92 42.00 3bk5 s ASP 128 CO -0.04 -0.06 0.42 -0.70 0.21 0.00 0.00 175.17 175.01 3bk5 s GLU 129 N -3.43 1.20 -0.22 8.23 2.12 -0.40 -4.87 118.70 121.33 3bk5 s GLU 129 Ca 0.38 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.78 3bk5 s GLU 129 Cb -0.11 0.47 -0.03 0.00 0.26 0.00 0.00 34.13 34.72 3bk5 s GLU 129 CO 0.29 -0.48 0.07 0.21 -0.54 0.00 0.00 175.26 174.82 3bk5 s LYS 130 N -3.86 3.79 -0.04 4.30 2.20 -1.26 -0.01 119.74 124.86 3bk5 s LYS 130 Ca 0.08 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 3bk5 s LYS 130 Cb 0.01 -3.30 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3bk5 s LYS 130 CO -0.06 -0.00 -0.01 0.12 -0.36 0.00 0.00 175.35 175.03 3bk5 s PHE 131 N 1.13 0.46 -1.60 4.03 2.19 -0.26 -4.81 117.98 119.13 3bk5 s PHE 131 Ca 0.04 -0.07 -0.13 0.00 0.33 0.00 0.00 56.93 57.11 3bk5 s PHE 131 Cb -0.14 -0.51 0.10 0.00 -1.31 0.00 0.00 43.02 41.16 3bk5 s PHE 131 CO 0.03 -0.16 0.70 0.09 1.83 0.00 0.00 175.22 177.72 3bk5 n ASN 132 N 4.20 -2.63 -1.53 6.13 5.03 -1.26 -0.63 115.26 124.56 3bk5 n ASN 132 Ca -0.24 -0.98 -0.19 0.00 0.87 0.00 0.00 54.58 54.03 3bk5 n ASN 132 Cb 0.50 -2.97 -0.08 0.00 -1.02 0.00 0.00 39.78 36.21 3bk5 n ASN 132 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bk5 n GLY 133 N -1.61 1.84 3.46 7.41 0.00 -1.26 -5.00 105.19 110.02 3bk5 n GLY 133 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3bk5 n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bk5 s GLN 134 N -3.64 2.23 0.10 1.61 -0.21 0.19 -5.10 119.66 114.85 3bk5 s GLN 134 Ca 0.00 -0.88 -0.31 0.00 0.02 0.00 0.00 55.36 54.19 3bk5 s GLN 134 Cb 0.00 -2.25 -0.08 0.00 1.00 0.00 0.00 33.01 31.68 3bk5 s GLN 134 CO 0.00 0.57 1.46 -0.51 -2.12 0.00 0.00 175.29 174.69 3bk5 s ASP 135 N -1.15 6.75 0.11 5.90 1.01 -1.26 -1.10 116.67 126.93 3bk5 s ASP 135 Ca 0.13 2.38 0.06 0.00 0.71 0.00 0.00 52.55 55.83 3bk5 s ASP 135 Cb -0.11 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3bk5 s ASP 135 CO 0.03 -0.73 -0.15 0.68 0.21 0.00 0.00 175.17 175.22 3bk5 s VAL 136 N 1.48 1.35 0.09 -1.27 -7.23 0.98 -1.02 120.40 114.78 3bk5 s VAL 136 Ca 0.67 -1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 58.99 3bk5 s VAL 136 Cb -0.38 -1.46 -0.07 0.00 0.56 0.00 0.00 36.38 35.03 3bk5 s VAL 136 CO 0.30 -0.34 0.66 -0.36 -0.31 0.00 0.00 175.10 175.06 3bk5 s PHE 137 N -1.87 3.82 -0.27 2.82 0.08 0.12 -1.27 117.98 121.42 3bk5 s PHE 137 Ca 0.07 1.41 -0.08 0.00 0.12 0.00 0.00 56.93 58.45 3bk5 s PHE 137 Cb -0.06 -2.64 -0.02 0.00 -0.57 0.00 0.00 43.02 39.73 3bk5 s PHE 137 CO 0.03 0.50 0.09 0.08 -0.10 0.00 0.00 175.22 175.82 3bk5 s VAL 138 N -0.90 4.33 0.09 -0.44 1.01 0.80 -0.41 120.40 124.88 3bk5 s VAL 138 Ca 0.32 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3bk5 s VAL 138 Cb -0.21 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3bk5 s VAL 138 CO 0.22 0.26 -0.08 -1.48 0.00 0.00 0.00 175.10 174.02 3bk5 s LEU 139 N 1.60 2.43 -0.12 3.92 2.34 -0.47 -1.03 118.68 127.35 3bk5 s LEU 139 Ca 0.06 -0.86 -0.06 0.00 0.06 0.00 0.00 54.13 53.33 3bk5 s LEU 139 Cb -0.16 -0.14 -0.04 0.00 -0.56 0.00 0.00 46.19 45.29 3bk5 s LEU 139 CO 0.04 -0.36 0.09 -0.70 -1.06 0.00 0.00 176.35 174.35 3bk5 s GLU 140 N -3.11 3.40 -0.09 1.48 2.12 0.55 -0.44 118.70 122.62 3bk5 s GLU 140 Ca 0.06 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.16 3bk5 s GLU 140 Cb 0.00 -3.09 0.02 0.00 0.26 0.00 0.00 34.13 31.32 3bk5 s GLU 140 CO -0.03 0.67 -0.11 1.14 -0.54 0.00 0.00 175.26 176.40 3bk5 s GLN 141 N -0.76 1.65 -0.21 4.30 -2.07 0.27 -1.35 119.66 121.49 3bk5 s GLN 141 Ca 0.13 -0.36 -0.05 0.00 -1.82 0.00 0.00 55.36 53.26 3bk5 s GLN 141 Cb -0.12 -1.49 -0.02 0.00 -1.09 0.00 0.00 33.01 30.29 3bk5 s GLN 141 CO 0.03 -0.09 -0.01 0.42 -1.32 0.00 0.00 175.29 174.31 3bk5 s ILE 142 N 1.08 3.73 0.14 3.63 1.01 0.31 -0.62 121.20 130.48 3bk5 s ILE 142 Ca -0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 3bk5 s ILE 142 Cb -0.14 -2.70 -0.08 0.00 0.01 0.00 0.00 42.46 39.55 3bk5 s ILE 142 CO -0.01 0.42 1.37 -2.84 0.00 0.00 0.00 174.94 173.88 3bk5 s PRO 143 N 1.24 4.33 0.49 2.79 0.02 -1.26 -0.51 135.00 142.10 3bk5 s PRO 143 Ca 0.03 2.08 0.28 0.00 0.02 0.00 0.00 61.00 63.42 3bk5 s PRO 143 Cb -0.15 -3.23 0.84 0.00 0.02 0.00 0.00 34.50 31.99 3bk5 s PRO 143 CO 0.00 -0.39 1.79 1.79 -0.33 0.00 0.00 177.00 179.86 3bk5 h THR 144 N 4.09 0.02 -3.23 0.99 1.35 -1.54 -3.45 112.91 111.15 3bk5 h THR 144 Ca -0.43 -0.79 -0.59 0.00 -0.55 0.00 0.00 66.41 64.05 3bk5 h THR 144 Cb 1.21 1.77 -0.08 0.00 -1.73 0.00 0.00 68.15 69.32 3bk5 h THR 144 CO 0.84 0.01 0.61 -0.62 -0.25 0.00 0.00 175.52 176.11 3bk5 s ASP 145 N -5.97 6.92 0.49 5.36 -1.08 -1.26 -4.94 116.67 116.19 3bk5 s ASP 145 Ca 0.04 1.12 0.33 0.00 -0.52 0.00 0.00 52.55 53.52 3bk5 s ASP 145 Cb 0.07 -2.48 1.72 0.00 -1.46 0.00 0.00 42.92 40.77 3bk5 s ASP 145 CO 0.61 -0.60 2.01 0.07 0.52 0.00 0.00 175.17 177.77 3bk5 h LYS 146 N 7.67 0.00 0.00 4.34 2.10 -1.98 -1.70 116.57 126.99 3bk5 h LYS 146 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 3bk5 h LYS 146 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3bk5 h LYS 146 CO 0.92 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.46 3bk5 n ASN 147 N -2.70 0.34 -4.70 7.07 5.03 -1.26 -4.88 115.26 114.15 3bk5 n ASN 147 Ca -0.01 0.53 -0.40 0.00 0.87 0.00 0.00 54.58 55.57 3bk5 n ASN 147 Cb 0.10 -0.62 0.02 0.00 -1.02 0.00 0.00 39.78 38.26 3bk5 n ASN 147 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3bk5 n SER 148 N -1.82 2.50 0.00 6.41 2.88 -0.64 -4.30 113.62 118.65 3bk5 n SER 148 Ca 0.06 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.77 3bk5 n SER 148 Cb 0.37 -1.51 0.46 0.00 -0.75 0.00 0.00 64.21 62.78 3bk5 n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bk5 n GLY 149 N 0.82 -0.96 3.47 0.46 0.00 -1.26 -4.82 105.19 102.90 3bk5 n GLY 149 Ca 0.07 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3bk5 n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bk5 s TYR 150 N -2.67 2.78 0.20 1.61 2.02 -1.26 -2.99 117.35 117.05 3bk5 s TYR 150 Ca 0.16 -0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.65 3bk5 s TYR 150 Cb 0.12 -1.71 0.13 0.00 -0.40 0.00 0.00 41.96 40.10 3bk5 s TYR 150 CO 0.30 0.11 1.47 1.79 -1.57 0.00 0.00 175.55 177.65 3bk5 h THR 151 N 4.61 1.45 -2.06 -0.71 1.35 -1.30 -3.43 112.91 112.82 3bk5 h THR 151 Ca -0.41 -2.32 0.14 0.00 -0.55 0.00 0.00 66.41 63.26 3bk5 h THR 151 Cb 1.17 2.25 -0.17 0.00 -1.73 0.00 0.00 68.15 69.67 3bk5 h THR 151 CO 0.52 0.68 0.57 -1.59 -0.25 0.00 0.00 175.52 175.45 3bk5 s LYS 152 N -3.47 0.69 0.07 4.72 -2.85 -1.25 -4.42 119.74 113.24 3bk5 s LYS 152 Ca -0.03 -0.23 0.09 0.00 -1.00 0.00 0.00 55.97 54.80 3bk5 s LYS 152 Cb 0.11 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 3bk5 s LYS 152 CO 0.81 -0.30 -0.24 -0.65 0.10 0.00 0.00 175.35 175.07 3bk5 s GLN 153 N -2.83 1.47 -0.17 1.78 -0.21 0.21 -1.35 119.66 118.56 3bk5 s GLN 153 Ca 0.05 -1.12 -0.01 0.00 0.02 0.00 0.00 55.36 54.30 3bk5 s GLN 153 Cb -0.01 -1.72 -0.01 0.00 1.00 0.00 0.00 33.01 32.28 3bk5 s GLN 153 CO -0.07 0.43 -0.11 0.08 -2.12 0.00 0.00 175.29 173.50 3bk5 s VAL 154 N -0.92 3.03 -0.15 1.09 1.01 0.08 -0.56 120.40 123.98 3bk5 s VAL 154 Ca 0.10 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3bk5 s VAL 154 Cb -0.10 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3bk5 s VAL 154 CO 0.03 0.49 -0.09 -0.69 0.00 0.00 0.00 175.10 174.84 3bk5 s VAL 155 N 0.90 3.35 -0.35 2.92 1.01 0.42 -0.62 120.40 128.03 3bk5 s VAL 155 Ca -0.02 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3bk5 s VAL 155 Cb -0.15 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 3bk5 s VAL 155 CO -0.00 0.51 0.52 0.26 0.00 0.00 0.00 175.10 176.39 3bk5 s TRP 156 N 0.45 3.18 -0.15 5.22 0.51 -0.24 -1.37 118.94 126.54 3bk5 s TRP 156 Ca -0.07 0.19 0.01 0.00 -2.12 0.00 0.00 56.10 54.11 3bk5 s TRP 156 Cb -0.15 -2.94 0.02 0.00 -0.81 0.00 0.00 33.47 29.58 3bk5 s TRP 156 CO 0.04 -0.55 -0.18 -1.17 -0.51 0.00 0.00 176.95 174.58 3bk5 s LEU 157 N 2.42 1.90 0.35 2.99 1.98 0.45 -0.59 118.68 128.18 3bk5 s LEU 157 Ca 0.19 -0.54 -0.28 0.00 -2.89 0.00 0.00 54.13 50.61 3bk5 s LEU 157 Cb -0.15 -1.30 -0.09 0.00 0.66 0.00 0.00 46.19 45.30 3bk5 s LEU 157 CO 0.13 0.00 1.21 1.51 -1.89 0.00 0.00 176.35 177.32 3bk5 s ASP 158 N 1.19 6.77 0.43 3.68 1.47 -0.24 0.16 116.67 130.14 3bk5 s ASP 158 Ca 0.00 2.48 0.24 0.00 1.18 0.00 0.00 52.55 56.45 3bk5 s ASP 158 Cb -0.14 -2.63 0.86 0.00 -0.34 0.00 0.00 42.92 40.67 3bk5 s ASP 158 CO -0.08 -0.51 1.80 0.11 0.68 0.00 0.00 175.17 177.17 3bk5 h LYS 159 N 3.19 0.00 0.15 2.11 1.57 -1.41 0.10 116.57 122.29 3bk5 h LYS 159 Ca -0.48 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.06 3bk5 h LYS 159 Cb 1.23 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.56 3bk5 h LYS 159 CO 0.65 0.23 -1.02 0.00 -0.57 0.00 0.00 179.45 178.73 3bk5 h ALA 160 N 1.77 -0.08 0.00 3.86 0.00 -1.91 -3.39 119.26 119.51 3bk5 h ALA 160 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3bk5 h ALA 160 Cb 0.79 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3bk5 h ALA 160 CO 0.03 0.50 0.00 0.72 0.00 0.00 0.00 179.25 180.50 3bk5 n HIS 161 N -3.99 0.00 -3.90 0.00 8.25 -1.24 -5.02 115.22 109.32 3bk5 n HIS 161 Ca -0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.03 3bk5 n HIS 161 Cb 0.90 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.03 3bk5 n HIS 161 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3bk5 n TYR 162 N -0.22 -2.19 -3.88 4.41 4.02 0.36 -4.99 117.16 114.67 3bk5 n TYR 162 Ca 0.00 0.89 -0.37 0.00 -0.01 0.00 0.00 57.90 58.41 3bk5 n TYR 162 Cb 0.02 -3.98 -0.06 0.00 -0.02 0.00 0.00 39.34 35.30 3bk5 n TYR 162 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3bk5 s ARG 163 N -6.54 3.45 0.20 -0.72 0.52 -1.25 -4.77 118.95 109.84 3bk5 s ARG 163 Ca 0.54 -0.15 -0.31 0.00 -0.52 0.00 0.00 55.73 55.29 3bk5 s ARG 163 Cb -0.27 -3.18 -0.10 0.00 0.52 0.00 0.00 34.95 31.92 3bk5 s ARG 163 CO 0.84 0.76 1.48 -1.25 0.02 0.00 0.00 175.30 177.15 3bk5 s PRO 164 N -1.15 4.26 -0.20 3.54 0.04 -1.26 -1.08 135.00 139.15 3bk5 s PRO 164 Ca 0.17 2.29 0.11 0.00 0.04 0.00 0.00 61.00 63.61 3bk5 s PRO 164 Cb -0.12 -3.14 -0.20 0.00 0.04 0.00 0.00 34.50 31.08 3bk5 s PRO 164 CO 0.06 -0.48 -0.03 1.28 0.04 0.00 0.00 177.00 177.87 3bk5 n LEU 165 N 3.07 1.04 -3.68 -3.56 4.77 0.24 -4.66 117.00 114.23 3bk5 n LEU 165 Ca 0.10 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 3bk5 n LEU 165 Cb 0.40 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3bk5 n LEU 165 CO 0.61 0.60 0.24 -0.75 -1.33 0.00 0.00 177.39 176.75 3bk5 s LYS 166 N -2.44 0.69 -0.10 3.23 2.20 -1.22 -1.95 119.74 120.15 3bk5 s LYS 166 Ca -0.17 0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3bk5 s LYS 166 Cb 0.06 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 3bk5 s LYS 166 CO 0.66 -0.11 -0.06 0.08 -0.36 0.00 0.00 175.35 175.56 3bk5 s VAL 167 N -0.02 0.85 -0.16 4.02 1.01 -0.13 -1.08 120.40 124.90 3bk5 s VAL 167 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 3bk5 s VAL 167 Cb -0.04 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3bk5 s VAL 167 CO 0.02 0.33 0.17 -1.61 0.00 0.00 0.00 175.10 174.02 3bk5 s GLU 168 N 1.64 3.98 -0.11 2.72 2.02 0.21 -0.21 118.70 128.95 3bk5 s GLU 168 Ca 0.02 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 54.91 3bk5 s GLU 168 Cb -0.13 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 3bk5 s GLU 168 CO -0.06 0.44 -0.11 -0.06 0.02 0.00 0.00 175.26 175.50 3bk5 s PHE 169 N -0.09 2.85 -0.05 1.61 0.08 -0.11 -0.74 117.98 121.54 3bk5 s PHE 169 Ca 0.12 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.84 3bk5 s PHE 169 Cb -0.12 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 3bk5 s PHE 169 CO 0.01 0.00 -0.10 0.71 -0.10 0.00 0.00 175.22 175.75 3bk5 s TYR 170 N -0.09 2.83 0.52 0.36 2.02 -0.46 -0.26 117.35 122.28 3bk5 s TYR 170 Ca -0.01 -0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 3bk5 s TYR 170 Cb -0.14 -1.66 0.11 0.00 -0.40 0.00 0.00 41.96 39.88 3bk5 s TYR 170 CO 0.03 0.28 0.71 -0.40 -1.57 0.00 0.00 175.55 174.61 3bk5 n ASP 171 N 2.13 0.34 0.30 2.29 5.68 -0.01 -1.66 116.55 125.63 3bk5 n ASP 171 Ca -0.17 -1.43 0.19 0.00 -0.50 0.00 0.00 54.79 52.88 3bk5 n ASP 171 Cb 0.53 -0.52 0.94 0.00 -1.14 0.00 0.00 41.12 40.93 3bk5 n ASP 171 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3bk5 h ARG 172 N 0.00 0.00 -0.01 0.11 3.08 -1.87 -1.07 114.38 114.62 3bk5 h ARG 172 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3bk5 h ARG 172 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3bk5 h ARG 172 CO 0.19 0.02 -0.19 1.63 -1.07 0.00 0.00 179.97 180.54 3bk5 n LYS 173 N -3.17 1.10 -0.28 0.04 4.76 -1.26 -4.86 118.16 114.49 3bk5 n LYS 173 Ca -0.01 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 3bk5 n LYS 173 Cb 0.19 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3bk5 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bk5 n GLY 174 N 1.30 0.65 3.85 0.72 0.00 -0.41 -5.07 105.19 106.23 3bk5 n GLY 174 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3bk5 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bk5 s ALA 175 N -2.54 3.64 0.04 4.61 0.00 -1.26 -4.73 121.76 121.52 3bk5 s ALA 175 Ca 0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 51.96 51.44 3bk5 s ALA 175 Cb 0.00 -2.45 -0.12 0.00 0.00 0.00 0.00 23.12 20.55 3bk5 s ALA 175 CO 0.00 0.48 1.78 -0.11 0.00 0.00 0.00 175.76 177.91 3bk5 n LEU 176 N 1.08 3.48 -0.11 0.00 7.94 -1.26 -0.83 117.00 127.31 3bk5 n LEU 176 Ca -0.08 1.01 -0.21 0.00 -1.11 0.00 0.00 56.01 55.62 3bk5 n LEU 176 Cb 0.52 -1.43 -0.07 0.00 0.53 0.00 0.00 43.42 42.97 3bk5 n LEU 176 CO 0.41 -0.07 -1.13 -0.11 -1.11 0.00 0.00 177.39 175.38 3bk5 n LEU 177 N 5.43 1.75 -3.51 -1.96 7.94 0.64 -4.71 117.00 122.58 3bk5 n LEU 177 Ca 0.20 0.30 -0.14 0.00 -1.11 0.00 0.00 56.01 55.26 3bk5 n LEU 177 Cb 0.31 -0.71 -0.04 0.00 0.53 0.00 0.00 43.42 43.51 3bk5 n LEU 177 CO 0.68 0.27 0.34 -1.59 -1.11 0.00 0.00 177.39 175.99 3bk5 s LYS 178 N -2.55 1.13 -0.04 1.96 -2.85 -1.16 -0.85 119.74 115.39 3bk5 s LYS 178 Ca -0.32 -0.27 0.05 0.00 -1.00 0.00 0.00 55.97 54.43 3bk5 s LYS 178 Cb 0.10 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.39 3bk5 s LYS 178 CO 0.42 -0.44 -0.19 0.99 0.10 0.00 0.00 175.35 176.22 3bk5 s THR 179 N -2.83 1.56 -0.22 3.79 2.01 0.04 -0.93 115.64 119.06 3bk5 s THR 179 Ca -0.03 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 3bk5 s THR 179 Cb -0.00 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 3bk5 s THR 179 CO -0.05 0.44 0.02 -0.22 -0.69 0.00 0.00 174.62 174.13 3bk5 s LEU 180 N -0.12 3.25 0.10 4.42 2.96 0.70 -0.69 118.68 129.30 3bk5 s LEU 180 Ca -0.01 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3bk5 s LEU 180 Cb -0.11 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3bk5 s LEU 180 CO 0.02 0.01 0.03 0.42 -1.32 0.00 0.00 176.35 175.50 3bk5 s THR 181 N 1.35 4.14 -0.08 3.68 -4.23 0.11 -0.95 115.64 119.65 3bk5 s THR 181 Ca 0.05 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 3bk5 s THR 181 Cb -0.15 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3bk5 s THR 181 CO 0.01 0.08 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.61 3bk5 s PHE 182 N -1.40 2.19 0.29 3.99 0.08 -0.82 -1.50 117.98 120.81 3bk5 s PHE 182 Ca 0.27 -0.85 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 3bk5 s PHE 182 Cb -0.11 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 3bk5 s PHE 182 CO 0.20 -0.35 0.35 0.00 -0.10 0.00 0.00 175.22 175.31 3bk5 s ALA 183 N 0.39 0.88 -1.46 5.36 0.00 -0.09 -4.82 121.76 122.01 3bk5 s ALA 183 Ca -0.16 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 3bk5 s ALA 183 Cb -0.17 1.26 0.04 0.00 0.00 0.00 0.00 23.12 24.25 3bk5 s ALA 183 CO 0.07 -0.73 0.65 0.09 0.00 0.00 0.00 175.76 175.84 3bk5 n ASN 184 N -0.94 -1.85 -4.77 0.00 3.02 -1.26 -1.73 115.26 107.73 3bk5 n ASN 184 Ca 0.02 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 3bk5 n ASN 184 Cb 0.63 -3.40 -0.01 0.00 -0.61 0.00 0.00 39.78 36.39 3bk5 n ASN 184 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bk5 s TYR 185 N -3.66 2.79 0.02 3.10 2.02 -1.26 -1.51 117.35 118.84 3bk5 s TYR 185 Ca 0.25 1.22 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 3bk5 s TYR 185 Cb -0.13 -3.89 -0.01 0.00 -0.40 0.00 0.00 41.96 37.52 3bk5 s TYR 185 CO 0.87 -2.61 -0.04 0.15 -1.57 0.00 0.00 175.55 172.35 3bk5 s LYS 186 N -1.78 0.30 -0.13 -0.62 1.02 0.11 -4.93 119.74 113.72 3bk5 s LYS 186 Ca 0.52 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 56.07 3bk5 s LYS 186 Cb -0.44 -0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.73 3bk5 s LYS 186 CO 0.57 0.02 0.02 -1.14 -0.92 0.00 0.00 175.35 173.90 3bk5 s GLN 187 N -0.86 3.46 -0.03 1.68 0.74 -1.26 -0.81 119.66 122.58 3bk5 s GLN 187 Ca -0.07 -0.40 0.07 0.00 0.05 0.00 0.00 55.36 55.01 3bk5 s GLN 187 Cb -0.06 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.07 3bk5 s GLN 187 CO -0.00 0.48 -0.24 0.71 -0.55 0.00 0.00 175.29 175.69 3bk5 s TYR 188 N -0.25 2.40 -1.42 1.67 2.02 0.13 -4.63 117.35 117.29 3bk5 s TYR 188 Ca 0.06 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.21 3bk5 s TYR 188 Cb -0.12 -1.54 0.09 0.00 -0.40 0.00 0.00 41.96 39.99 3bk5 s TYR 188 CO 0.02 -0.03 0.64 1.28 -1.57 0.00 0.00 175.55 175.89 3bk5 n LEU 189 N 2.50 -1.82 -0.10 -1.29 4.77 -1.26 -0.32 117.00 119.48 3bk5 n LEU 189 Ca -0.16 -0.56 -0.01 0.00 -0.03 0.00 0.00 56.01 55.24 3bk5 n LEU 189 Cb 0.51 -2.24 -0.00 0.00 -2.33 0.00 0.00 43.42 39.35 3bk5 n LEU 189 CO 0.24 0.24 -0.01 0.47 -1.33 0.00 0.00 177.39 177.00 3bk5 n ASP 190 N -2.46 -5.27 0.05 -1.43 8.00 -1.26 -4.65 116.55 109.53 3bk5 n ASP 190 Ca 0.01 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3bk5 n ASP 190 Cb 0.53 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 3bk5 n ASP 190 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3bk5 n LYS 191 N 0.69 0.00 -3.25 -1.24 4.81 -0.58 -5.11 118.16 113.48 3bk5 n LYS 191 Ca -0.01 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.03 3bk5 n LYS 191 Cb 0.45 -0.22 -0.08 0.00 0.02 0.00 0.00 35.03 35.21 3bk5 n LYS 191 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3bk5 s TYR 192 N -2.00 3.25 -0.14 5.64 2.02 0.57 -4.75 117.35 121.94 3bk5 s TYR 192 Ca 0.00 0.57 -0.17 0.00 -0.37 0.00 0.00 57.07 57.10 3bk5 s TYR 192 Cb 0.00 -2.73 -0.04 0.00 -0.40 0.00 0.00 41.96 38.79 3bk5 s TYR 192 CO 0.00 -0.31 0.41 -1.58 -1.57 0.00 0.00 175.55 172.51 3bk5 s TRP 193 N 2.30 3.49 -0.03 2.71 0.52 -1.26 0.23 118.94 126.89 3bk5 s TRP 193 Ca 0.20 0.78 0.02 0.00 0.02 0.00 0.00 56.10 57.13 3bk5 s TRP 193 Cb -0.16 -2.49 0.01 0.00 -1.15 0.00 0.00 33.47 29.68 3bk5 s TRP 193 CO 0.10 0.18 -0.10 1.03 0.02 0.00 0.00 176.95 178.18 3bk5 s ARG 194 N 0.63 1.11 -0.33 4.98 1.81 0.01 -4.94 118.95 122.21 3bk5 s ARG 194 Ca 0.23 -0.32 -0.22 0.00 -1.72 0.00 0.00 55.73 53.69 3bk5 s ARG 194 Cb -0.14 -1.01 0.00 0.00 -0.45 0.00 0.00 34.95 33.35 3bk5 s ARG 194 CO 0.08 0.09 0.74 0.00 -0.68 0.00 0.00 175.30 175.53 3bk5 s ALA 195 N 0.31 3.50 -0.71 2.13 0.00 -1.26 -0.71 121.76 125.02 3bk5 s ALA 195 Ca -0.06 -0.57 0.25 0.00 0.00 0.00 0.00 51.96 51.58 3bk5 s ALA 195 Cb -0.10 -3.27 0.91 0.00 0.00 0.00 0.00 23.12 20.66 3bk5 s ALA 195 CO 0.01 -1.27 1.75 0.72 0.00 0.00 0.00 175.76 176.97 3bk5 n HIS 196 N 6.19 0.70 -4.55 0.00 8.25 -0.57 -4.76 115.22 120.48 3bk5 n HIS 196 Ca 0.02 0.23 -0.26 0.00 -0.26 0.00 0.00 57.72 57.46 3bk5 n HIS 196 Cb 0.48 -0.88 -0.10 0.00 1.12 0.00 0.00 29.99 30.62 3bk5 n HIS 196 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3bk5 s THR 197 N -3.15 1.30 0.00 1.59 2.01 -0.70 -0.97 115.64 115.71 3bk5 s THR 197 Ca 0.09 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.09 3bk5 s THR 197 Cb 0.12 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.95 3bk5 s THR 197 CO 0.50 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 3bk5 n ALA 199 N -0.88 0.00 -3.35 7.40 0.00 -0.56 -0.92 120.51 122.20 3bk5 n ALA 199 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.41 3bk5 n ALA 199 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 3bk5 n ALA 199 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bk5 s THR 201 N -2.13 -0.05 -0.30 0.00 2.01 0.13 -0.71 115.64 114.59 3bk5 s THR 201 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 3bk5 s THR 201 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3bk5 s THR 201 CO 0.00 0.00 0.85 0.21 -0.69 0.00 0.00 174.62 174.99 3bk5 s ASN 202 N 1.71 6.73 0.35 3.53 3.84 -0.08 -0.78 114.94 130.24 3bk5 s ASN 202 Ca -0.02 0.77 0.18 0.00 0.21 0.00 0.00 52.86 54.00 3bk5 s ASN 202 Cb -0.01 -2.44 0.51 0.00 -0.55 0.00 0.00 41.25 38.76 3bk5 s ASN 202 CO -0.14 -0.66 1.65 0.45 -2.79 0.00 0.00 177.10 175.61 3bk5 h HIS 203 N 8.07 0.00 0.00 0.43 3.86 -1.30 -3.20 115.15 123.00 3bk5 h HIS 203 Ca -0.23 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.78 3bk5 h HIS 203 Cb 1.09 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 3bk5 h HIS 203 CO 0.78 0.41 -1.09 1.96 0.86 0.00 0.00 177.93 180.85 3bk5 h GLN 204 N 0.00 0.00 0.00 2.45 4.20 -1.84 -3.41 115.11 116.51 3bk5 h GLN 204 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3bk5 h GLN 204 Cb 1.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3bk5 h GLN 204 CO 0.05 0.66 -2.09 -2.37 -0.67 0.00 0.00 178.83 174.42 3bk5 n THR 205 N -3.18 0.33 -2.60 -0.54 5.66 -1.21 -5.00 114.28 107.74 3bk5 n THR 205 Ca -0.05 -0.58 -0.43 0.00 -3.05 0.00 0.00 64.05 59.94 3bk5 n THR 205 Cb 0.90 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 3bk5 n THR 205 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3bk5 n GLY 206 N 1.39 3.66 3.80 1.09 0.00 -1.23 -5.07 105.19 108.82 3bk5 n GLY 206 Ca -0.11 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 3bk5 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bk5 s LYS 207 N 1.99 2.52 0.06 1.61 1.02 -1.25 -4.80 119.74 120.90 3bk5 s LYS 207 Ca 0.45 0.96 -0.03 0.00 0.02 0.00 0.00 55.97 57.37 3bk5 s LYS 207 Cb 0.03 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 3bk5 s LYS 207 CO 0.01 -1.40 0.04 -1.54 -0.92 0.00 0.00 175.35 171.54 3bk5 s SER 208 N -3.67 0.37 -0.05 2.83 1.04 -0.42 -0.91 113.70 112.89 3bk5 s SER 208 Ca 0.60 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 3bk5 s SER 208 Cb -0.15 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.23 3bk5 s SER 208 CO 0.55 -0.63 0.00 -0.89 0.98 0.00 0.00 173.24 173.25 3bk5 s THR 209 N -3.85 0.30 -0.01 2.02 2.01 -1.26 -0.55 115.64 114.31 3bk5 s THR 209 Ca 0.06 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 3bk5 s THR 209 Cb 0.07 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3bk5 s THR 209 CO -0.10 0.22 0.10 -1.61 -0.69 0.00 0.00 174.62 172.54 3bk5 s GLU 210 N 1.60 3.14 -0.24 4.92 2.02 0.71 -4.44 118.70 126.41 3bk5 s GLU 210 Ca -0.01 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.55 3bk5 s GLU 210 Cb -0.13 -2.91 0.06 0.00 0.10 0.00 0.00 34.13 31.25 3bk5 s GLU 210 CO -0.03 0.66 -0.09 -0.51 0.02 0.00 0.00 175.26 175.30 3bk5 s LEU 211 N -1.72 2.88 -0.07 1.80 1.43 -1.26 -0.59 118.68 121.15 3bk5 s LEU 211 Ca 0.23 -1.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 3bk5 s LEU 211 Cb -0.12 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3bk5 s LEU 211 CO 0.14 -0.19 -0.12 0.20 0.23 0.00 0.00 176.35 176.61 3bk5 s ASN 212 N 1.27 4.23 -0.16 2.29 0.01 -0.10 -4.33 114.94 118.15 3bk5 s ASN 212 Ca -0.06 -0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 3bk5 s ASN 212 Cb -0.19 -1.08 -0.02 0.00 0.41 0.00 0.00 41.25 40.37 3bk5 s ASN 212 CO -0.06 0.32 -0.08 -0.89 -1.51 0.00 0.00 177.10 174.88 3bk5 s THR 213 N -0.56 3.38 -0.11 1.60 2.01 -0.14 -0.71 115.64 121.11 3bk5 s THR 213 Ca 0.08 -0.53 0.20 0.00 0.31 0.00 0.00 61.69 61.75 3bk5 s THR 213 Cb -0.12 -2.47 -0.25 0.00 0.01 0.00 0.00 72.50 69.68 3bk5 s THR 213 CO 0.02 0.49 0.48 -1.54 -0.69 0.00 0.00 174.62 173.37 3bk5 n SER 214 N 3.87 0.24 -3.70 3.53 3.41 -0.17 -4.83 113.62 115.96 3bk5 n SER 214 Ca -0.18 0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 3bk5 n SER 214 Cb 0.52 1.22 -0.09 0.00 -0.26 0.00 0.00 64.21 65.60 3bk5 n SER 214 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bk5 s ASP 215 N -5.12 -0.47 -0.06 4.04 2.15 -1.23 -5.00 116.67 110.98 3bk5 s ASP 215 Ca -0.07 0.83 -0.02 0.00 0.43 0.00 0.00 52.55 53.71 3bk5 s ASP 215 Cb 0.10 0.85 0.04 0.00 -0.30 0.00 0.00 42.92 43.61 3bk5 s ASP 215 CO 0.86 -0.25 0.10 -0.22 -0.17 0.00 0.00 175.17 175.49 3bk5 s LEU 216 N -0.09 0.15 -0.06 -1.34 2.96 -1.26 -1.04 118.68 118.00 3bk5 s LEU 216 Ca -0.03 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3bk5 s LEU 216 Cb -0.03 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.66 3bk5 s LEU 216 CO 0.02 -0.24 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.56 3bk5 s ARG 217 N 2.10 2.57 0.06 1.98 0.52 -0.51 -4.97 118.95 120.71 3bk5 s ARG 217 Ca 0.03 -0.66 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 3bk5 s ARG 217 Cb -0.12 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 3bk5 s ARG 217 CO -0.04 0.63 -0.06 -0.06 0.02 0.00 0.00 175.30 175.79 3bk5 s PHE 218 N -0.73 2.88 -1.13 -0.53 0.08 -1.26 -0.63 117.98 116.66 3bk5 s PHE 218 Ca 0.11 -0.07 -0.03 0.00 0.12 0.00 0.00 56.93 57.06 3bk5 s PHE 218 Cb -0.11 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 3bk5 s PHE 218 CO 0.01 0.42 0.95 1.04 -0.10 0.00 0.00 175.22 177.53 3bk5 n GLN 219 N 1.01 -4.24 0.00 0.44 6.02 0.16 -4.90 117.38 115.87 3bk5 n GLN 219 Ca -0.13 0.85 0.14 0.00 -0.01 0.00 0.00 57.00 57.84 3bk5 n GLN 219 Cb 0.52 -5.80 0.50 0.00 1.02 0.00 0.00 30.24 26.49 3bk5 n GLN 219 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3bk5 n THR 220 N -3.68 0.00 0.00 5.09 -2.24 -1.26 -4.88 114.28 107.31 3bk5 n THR 220 Ca -0.17 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3bk5 n THR 220 Cb 0.64 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3bk5 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bk5 n GLY 221 N 1.21 0.75 3.67 3.38 0.00 -1.26 -5.07 105.19 107.86 3bk5 n GLY 221 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3bk5 n GLY 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bk5 n LEU 222 N 0.00 4.88 -4.26 0.99 4.77 -1.26 -5.02 117.00 117.09 3bk5 n LEU 222 Ca 0.00 0.82 -0.14 0.00 -0.03 0.00 0.00 56.01 56.66 3bk5 n LEU 222 Cb 0.00 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 39.51 3bk5 n LEU 222 CO 0.00 -1.41 -0.26 -1.83 -1.33 0.00 0.00 177.39 172.57 3bk5 s GLU 223 N -3.05 1.30 0.32 3.23 -1.05 -1.26 -4.99 118.70 113.20 3bk5 s GLU 223 Ca 0.79 -1.69 0.09 0.00 -0.15 0.00 0.00 54.97 54.01 3bk5 s GLU 223 Cb -0.40 -0.05 0.87 0.00 -0.44 0.00 0.00 34.13 34.11 3bk5 s GLU 223 CO 0.44 -0.32 1.73 1.49 0.95 0.00 0.00 175.26 179.55 3bk5 h GLU 224 N 2.51 0.56 0.00 -4.83 4.57 -1.97 -1.04 114.58 114.38 3bk5 h GLU 224 Ca -0.37 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 3bk5 h GLU 224 Cb 1.24 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3bk5 h GLU 224 CO 0.58 0.37 0.00 -0.91 -1.18 0.00 0.00 179.01 177.87 3bk5 h ASN 225 N 0.58 0.00 0.67 1.04 2.35 -1.99 -1.68 115.58 116.55 3bk5 h ASN 225 Ca 0.64 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.39 3bk5 h ASN 225 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3bk5 h ASN 225 CO -0.47 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 175.78 3bk5 n ASP 226 N -2.75 0.13 -0.35 5.81 8.00 -0.39 -2.79 116.55 124.20 3bk5 n ASP 226 Ca 0.02 0.53 0.04 0.00 0.71 0.00 0.00 54.79 56.08 3bk5 n ASP 226 Cb 0.30 -0.56 0.10 0.00 -0.02 0.00 0.00 41.12 40.95 3bk5 n ASP 226 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3bk5 n PHE 227 N -1.64 0.28 -1.80 1.24 3.72 -0.64 -4.92 117.46 113.70 3bk5 n PHE 227 Ca 0.04 -0.59 -0.41 0.00 -0.05 0.00 0.00 57.45 56.44 3bk5 n PHE 227 Cb 0.22 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3bk5 n PHE 227 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3bk5 s ASN 228 N -1.28 6.39 0.63 4.37 3.84 -1.12 -4.90 114.94 122.87 3bk5 s ASN 228 Ca 0.17 2.95 0.35 0.00 0.21 0.00 0.00 52.86 56.54 3bk5 s ASN 228 Cb 0.11 -2.64 1.98 0.00 -0.55 0.00 0.00 41.25 40.15 3bk5 s ASN 228 CO 0.07 -0.89 2.22 0.07 -2.79 0.00 0.00 177.10 175.79 3bk5 h LYS 229 N 4.46 0.00 0.00 0.43 2.10 -1.95 -0.16 116.57 121.45 3bk5 h LYS 229 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3bk5 h LYS 229 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3bk5 h LYS 229 CO 0.76 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.30 3bk5 n ASN 230 N -3.44 0.17 0.25 7.07 3.02 -1.26 -2.55 115.26 118.51 3bk5 n ASN 230 Ca -0.02 0.53 0.16 0.00 -0.03 0.00 0.00 54.58 55.22 3bk5 n ASN 230 Cb 0.18 -0.57 0.55 0.00 -0.61 0.00 0.00 39.78 39.33 3bk5 n ASN 230 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3bk5 h VAL 231 N 0.00 0.00 -0.83 2.41 -1.51 -1.35 -3.35 116.25 111.62 3bk5 h VAL 231 Ca 0.00 -0.60 0.08 0.00 -1.23 0.00 0.00 66.70 64.95 3bk5 h VAL 231 Cb 0.35 1.58 -0.07 0.00 -2.13 0.00 0.00 31.29 31.02 3bk5 h VAL 231 CO 0.00 0.00 0.49 -0.07 -1.23 0.00 0.00 177.57 176.76 3bk5 h LEU 232 N 0.00 0.74 -0.05 4.19 3.38 -1.67 0.18 115.31 122.08 3bk5 h LEU 232 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3bk5 h LEU 232 Cb 0.62 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3bk5 h LEU 232 CO 0.00 0.46 0.00 0.29 0.09 0.00 0.00 178.44 179.28 3bk5 n LYS 233 N -4.69 0.83 -0.50 1.13 5.02 -1.26 -4.99 118.16 113.70 3bk5 n LYS 233 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3bk5 n LYS 233 Cb 0.22 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 3bk5 n LYS 233 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42