#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bm1 s ASP 2 N 0.00 7.25 0.08 6.12 2.15 -1.26 -4.97 116.67 126.04 3bm1 s ASP 2 Ca 0.00 2.04 -0.27 0.00 0.43 0.00 0.00 52.55 54.75 3bm1 s ASP 2 Cb 0.00 -2.60 -0.16 0.00 -0.30 0.00 0.00 42.92 39.86 3bm1 s ASP 2 CO 0.00 -0.26 1.69 0.00 -0.17 0.00 0.00 175.17 176.43 3bm1 h ALA 3 N 5.50 -0.38 -0.75 3.66 0.00 -2.04 -1.63 119.26 123.62 3bm1 h ALA 3 Ca -0.44 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.47 3bm1 h ALA 3 Cb 1.21 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 3bm1 h ALA 3 CO 0.74 -0.71 0.41 1.25 0.00 0.00 0.00 179.25 180.94 3bm1 h LEU 4 N -0.38 0.59 -0.45 0.00 7.12 -2.00 -1.67 115.31 118.51 3bm1 h LEU 4 Ca -0.04 0.04 0.03 0.00 0.13 0.00 0.00 57.88 58.05 3bm1 h LEU 4 Cb 0.30 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.32 3bm1 h LEU 4 CO 0.06 0.35 0.24 -0.33 -0.13 0.00 0.00 178.44 178.64 3bm1 h GLU 5 N 0.72 0.47 -0.39 1.25 4.39 -1.91 -1.83 114.58 117.28 3bm1 h GLU 5 Ca 0.35 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.09 3bm1 h GLU 5 Cb 0.30 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 3bm1 h GLU 5 CO -0.23 0.31 0.02 1.25 -1.16 0.00 0.00 179.01 179.21 3bm1 h LEU 6 N 0.49 -0.11 -0.04 1.33 5.85 -0.39 -1.79 115.31 120.64 3bm1 h LEU 6 Ca 0.19 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3bm1 h LEU 6 Cb 0.06 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3bm1 h LEU 6 CO -0.11 -0.02 0.00 -0.07 -0.34 0.00 0.00 178.44 177.90 3bm1 h LEU 7 N 0.13 0.08 -1.49 2.25 3.38 -1.09 0.06 115.31 118.63 3bm1 h LEU 7 Ca 0.19 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3bm1 h LEU 7 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3bm1 h LEU 7 CO -0.30 0.37 -0.18 0.40 0.09 0.00 0.00 178.44 178.82 3bm1 h ILE 8 N -0.21 0.55 -0.20 1.22 2.04 -1.26 -3.05 117.51 116.60 3bm1 h ILE 8 Ca 0.01 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3bm1 h ILE 8 Cb 0.33 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3bm1 h ILE 8 CO 0.00 0.18 0.00 0.59 0.00 0.00 0.00 178.15 178.92 3bm1 n ASN 9 N -3.49 2.48 -4.55 1.72 5.03 -0.68 -4.76 115.26 111.01 3bm1 n ASN 9 Ca -0.01 -1.78 -0.51 0.00 0.87 0.00 0.00 54.58 53.15 3bm1 n ASN 9 Cb 0.34 -0.13 -0.05 0.00 -1.02 0.00 0.00 39.78 38.92 3bm1 n ASN 9 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3bm1 n ARG 10 N 0.50 0.84 -3.84 3.52 0.63 0.01 -4.98 116.66 113.32 3bm1 n ARG 10 Ca 0.09 0.30 -0.12 0.00 -0.92 0.00 0.00 57.85 57.20 3bm1 n ARG 10 Cb 0.35 -1.77 -0.10 0.00 0.45 0.00 0.00 32.46 31.40 3bm1 n ARG 10 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3bm1 s ARG 11 N -0.25 0.53 -0.10 -0.14 3.52 -1.26 -5.08 118.95 116.18 3bm1 s ARG 11 Ca 0.77 -0.35 -0.06 0.00 -0.13 0.00 0.00 55.73 55.96 3bm1 s ARG 11 Cb -0.95 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 32.63 3bm1 s ARG 11 CO 0.53 -0.13 0.14 -1.12 -0.81 0.00 0.00 175.30 173.90 3bm1 s SER 12 N -1.38 6.31 -0.14 -2.12 0.01 -1.26 -4.79 113.70 110.34 3bm1 s SER 12 Ca -0.14 0.43 -0.00 0.00 1.31 0.00 0.00 55.95 57.54 3bm1 s SER 12 Cb -0.07 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 3bm1 s SER 12 CO 0.02 0.39 -0.13 0.00 0.41 0.00 0.00 173.24 173.93 3bm1 s ALA 13 N -1.06 2.61 -0.13 1.44 0.00 -0.79 -4.95 121.76 118.87 3bm1 s ALA 13 Ca 0.17 -0.91 0.19 0.00 0.00 0.00 0.00 51.96 51.40 3bm1 s ALA 13 Cb -0.12 -1.23 -0.27 0.00 0.00 0.00 0.00 23.12 21.50 3bm1 s ALA 13 CO 0.06 0.20 0.23 -1.13 0.00 0.00 0.00 175.76 175.11 3bm1 n SER 14 N 3.62 0.22 -4.44 0.00 3.41 -1.26 -3.36 113.62 111.81 3bm1 n SER 14 Ca -0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.99 3bm1 n SER 14 Cb 0.53 1.38 -0.04 0.00 -0.26 0.00 0.00 64.21 65.81 3bm1 n SER 14 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3bm1 s ARG 15 N -2.87 3.14 0.17 4.33 0.52 -1.26 -4.92 118.95 118.06 3bm1 s ARG 15 Ca -0.09 -1.01 0.11 0.00 -0.52 0.00 0.00 55.73 54.22 3bm1 s ARG 15 Cb 0.09 -4.30 -0.04 0.00 0.52 0.00 0.00 34.95 31.21 3bm1 s ARG 15 CO 0.83 -1.77 -0.24 -0.51 0.02 0.00 0.00 175.30 173.63 3bm1 s LEU 16 N 3.69 2.43 0.29 2.53 1.43 -1.26 -2.78 118.68 125.00 3bm1 s LEU 16 Ca 0.21 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 3bm1 s LEU 16 Cb -0.17 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.84 3bm1 s LEU 16 CO 0.08 0.14 0.55 0.00 0.23 0.00 0.00 176.35 177.34 3bm1 s ALA 17 N -1.46 -0.19 0.67 4.21 0.00 -1.02 -4.62 121.76 119.35 3bm1 s ALA 17 Ca 0.19 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 3bm1 s ALA 17 Cb -0.09 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.05 3bm1 s ALA 17 CO 0.09 -0.88 1.20 -1.21 0.00 0.00 0.00 175.76 174.96 3bm1 s GLU 18 N -3.55 2.55 0.52 0.00 0.41 -1.26 -0.83 118.70 116.53 3bm1 s GLU 18 Ca 0.22 1.74 -0.13 0.00 -0.41 0.00 0.00 54.97 56.39 3bm1 s GLU 18 Cb -0.02 -1.88 -0.06 0.00 -1.78 0.00 0.00 34.13 30.38 3bm1 s GLU 18 CO 0.12 -1.52 0.95 -1.25 -0.49 0.00 0.00 175.26 173.07 3bm1 s PRO 19 N -3.71 3.80 0.26 0.39 0.04 -1.26 -4.69 135.00 129.82 3bm1 s PRO 19 Ca 0.75 0.77 0.06 0.00 0.04 0.00 0.00 61.00 62.62 3bm1 s PRO 19 Cb -0.29 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3bm1 s PRO 19 CO 0.40 -0.31 0.34 0.00 0.04 0.00 0.00 177.00 177.47 3bm1 s ALA 20 N -2.75 3.91 0.33 8.56 0.00 -1.26 -2.74 121.76 127.81 3bm1 s ALA 20 Ca 0.56 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 3bm1 s ALA 20 Cb -0.10 -1.64 -0.11 0.00 0.00 0.00 0.00 23.12 21.27 3bm1 s ALA 20 CO 0.38 0.20 1.49 -2.14 0.00 0.00 0.00 175.76 175.70 3bm1 s PRO 21 N -3.98 4.16 0.27 0.00 0.02 -1.26 -5.00 135.00 129.22 3bm1 s PRO 21 Ca 0.35 2.50 -0.04 0.00 0.02 0.00 0.00 61.00 63.83 3bm1 s PRO 21 Cb -0.09 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 3bm1 s PRO 21 CO 0.28 -0.50 0.36 0.95 -0.33 0.00 0.00 177.00 177.76 3bm1 s THR 22 N -0.68 0.00 0.00 0.99 -4.23 -1.26 -4.58 115.64 105.88 3bm1 s THR 22 Ca 0.56 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 3bm1 s THR 22 Cb -0.45 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3bm1 s THR 22 CO 0.55 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 3bm1 n GLY 23 N -0.44 3.24 0.18 3.99 0.00 -1.26 -1.63 105.19 109.28 3bm1 n GLY 23 Ca 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.95 3bm1 n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bm1 h GLU 24 N 0.00 0.05 -0.60 1.61 4.39 -1.98 -2.24 114.58 115.80 3bm1 h GLU 24 Ca 0.00 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3bm1 h GLU 24 Cb 0.00 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3bm1 h GLU 24 CO 0.00 0.44 0.16 1.96 -1.16 0.00 0.00 179.01 180.41 3bm1 h GLN 25 N 0.04 0.92 -0.25 2.33 4.20 -1.70 0.12 115.11 120.76 3bm1 h GLN 25 Ca 0.00 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.34 3bm1 h GLN 25 Cb 0.72 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3bm1 h GLN 25 CO 0.05 0.81 -0.55 1.25 -0.67 0.00 0.00 178.83 179.72 3bm1 h LEU 26 N 0.88 0.91 -1.26 1.46 5.85 -1.24 -2.82 115.31 119.10 3bm1 h LEU 26 Ca 0.19 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3bm1 h LEU 26 Cb 0.29 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3bm1 h LEU 26 CO -0.00 1.30 -0.14 1.56 -0.34 0.00 0.00 178.44 180.82 3bm1 h GLN 27 N 0.56 0.34 -0.68 1.25 1.08 -1.03 -1.65 115.11 114.98 3bm1 h GLN 27 Ca 0.00 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.06 3bm1 h GLN 27 Cb 1.16 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 3bm1 h GLN 27 CO 0.12 0.48 0.20 -0.91 -0.95 0.00 0.00 178.83 177.77 3bm1 h ASN 28 N 0.32 0.97 -0.11 1.46 -0.26 -0.67 0.23 115.58 117.53 3bm1 h ASN 28 Ca 0.06 -0.18 -0.01 0.00 -0.56 0.00 0.00 56.30 55.61 3bm1 h ASN 28 Cb 0.44 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 3bm1 h ASN 28 CO 0.03 0.92 0.01 0.40 -1.06 0.00 0.00 177.43 177.72 3bm1 h ILE 29 N 1.00 1.23 -0.47 2.81 2.04 -1.15 -1.30 117.51 121.67 3bm1 h ILE 29 Ca 0.22 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3bm1 h ILE 29 Cb 0.30 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 3bm1 h ILE 29 CO -0.01 0.21 0.26 -0.07 0.00 0.00 0.00 178.15 178.54 3bm1 h LEU 30 N -0.06 0.57 -0.79 1.44 3.38 -1.03 -1.83 115.31 116.99 3bm1 h LEU 30 Ca 0.03 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3bm1 h LEU 30 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3bm1 h LEU 30 CO 0.00 0.47 -0.35 0.03 0.09 0.00 0.00 178.44 178.68 3bm1 h ARG 31 N 0.66 0.50 -0.59 1.13 3.08 -0.26 -2.82 114.38 116.07 3bm1 h ARG 31 Ca 0.17 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3bm1 h ARG 31 Cb 0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3bm1 h ARG 31 CO -0.03 0.78 0.30 0.00 -1.07 0.00 0.00 179.97 179.95 3bm1 h ALA 32 N 1.20 0.76 -0.82 0.04 0.00 -0.41 -2.50 119.26 117.54 3bm1 h ALA 32 Ca 0.05 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3bm1 h ALA 32 Cb 0.81 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3bm1 h ALA 32 CO 0.07 0.32 0.53 0.78 0.00 0.00 0.00 179.25 180.95 3bm1 h GLY 33 N 0.81 1.12 2.00 0.00 0.00 -1.20 -0.41 103.07 105.39 3bm1 h GLY 33 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3bm1 h GLY 33 CO -0.03 0.20 0.00 1.03 0.00 0.00 0.00 176.54 177.74 3bm1 n MET 34 N -4.51 0.11 -0.10 4.80 2.00 -0.94 -2.36 117.12 116.13 3bm1 n MET 34 Ca 0.14 0.41 0.12 0.00 0.00 0.00 0.00 57.70 58.36 3bm1 n MET 34 Cb 0.30 -1.75 0.28 0.00 0.00 0.00 0.00 33.22 32.05 3bm1 n MET 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3bm1 n ARG 35 N -1.97 2.14 -1.50 0.03 5.12 -0.16 -4.98 116.66 115.35 3bm1 n ARG 35 Ca 0.02 -1.71 -0.36 0.00 -1.93 0.00 0.00 57.85 53.87 3bm1 n ARG 35 Cb 0.17 -1.46 0.08 0.00 -1.16 0.00 0.00 32.46 30.09 3bm1 n ARG 35 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bm1 n ALA 36 N 0.96 0.41 -1.59 7.54 0.00 -0.99 -4.89 120.51 121.94 3bm1 n ALA 36 Ca 0.17 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 3bm1 n ALA 36 Cb 0.49 -2.22 0.02 0.00 0.00 0.00 0.00 19.45 17.74 3bm1 n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3bm1 n PRO 37 N -2.01 1.17 -3.26 0.00 -0.02 -1.26 -4.97 135.00 124.65 3bm1 n PRO 37 Ca 0.14 0.43 -0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3bm1 n PRO 37 Cb 0.49 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3bm1 n PRO 37 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3bm1 s ASP 38 N -0.87 -0.28 -0.05 2.55 2.15 -1.26 -4.53 116.67 114.38 3bm1 s ASP 38 Ca 0.66 -0.35 -0.32 0.00 0.43 0.00 0.00 52.55 52.97 3bm1 s ASP 38 Cb -0.52 1.40 -0.10 0.00 -0.30 0.00 0.00 42.92 43.40 3bm1 s ASP 38 CO 0.55 -0.32 1.98 1.57 -0.17 0.00 0.00 175.17 178.78 3bm1 n HIS 39 N 5.21 2.35 -0.98 -5.34 -0.00 -1.26 -1.28 115.22 113.91 3bm1 n HIS 39 Ca 0.04 -0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 3bm1 n HIS 39 Cb 0.51 -2.74 0.00 0.00 -0.00 0.00 0.00 29.99 27.76 3bm1 n HIS 39 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3bm1 n LYS 40 N 7.40 -0.81 -3.48 1.57 4.76 -1.26 -3.86 118.16 122.47 3bm1 n LYS 40 Ca 0.23 0.20 -0.22 0.00 -2.87 0.00 0.00 58.31 55.65 3bm1 n LYS 40 Cb 0.37 -3.85 0.06 0.00 -1.84 0.00 0.00 35.03 29.77 3bm1 n LYS 40 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3bm1 n SER 41 N -0.41 -5.30 0.02 4.39 7.64 -0.41 -4.92 113.62 114.64 3bm1 n SER 41 Ca 0.00 -0.84 0.11 0.00 1.01 0.00 0.00 58.87 59.15 3bm1 n SER 41 Cb 0.20 -4.35 0.08 0.00 -1.01 0.00 0.00 64.21 59.14 3bm1 n SER 41 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3bm1 n MET 42 N -3.77 0.21 -3.99 1.43 2.81 -1.25 -4.98 117.12 107.58 3bm1 n MET 42 Ca -0.11 0.01 -0.32 0.00 -1.81 0.00 0.00 57.70 55.47 3bm1 n MET 42 Cb 0.62 -1.58 -0.01 0.00 -0.71 0.00 0.00 33.22 31.53 3bm1 n MET 42 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3bm1 n GLN 43 N -1.85 -1.84 -1.11 0.03 6.02 -1.26 -4.78 117.38 112.59 3bm1 n GLN 43 Ca 0.03 0.29 -0.33 0.00 -0.01 0.00 0.00 57.00 56.98 3bm1 n GLN 43 Cb 0.41 -3.89 -0.02 0.00 1.02 0.00 0.00 30.24 27.75 3bm1 n GLN 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3bm1 n PRO 44 N -4.51 2.66 -3.51 -1.09 -0.04 -1.26 -4.86 135.00 122.39 3bm1 n PRO 44 Ca -0.23 -1.90 -0.09 0.00 -0.04 0.00 0.00 63.50 61.23 3bm1 n PRO 44 Cb 0.65 -2.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 3bm1 n PRO 44 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3bm1 s TRP 45 N 3.17 -0.38 -0.03 0.54 1.48 -1.26 -2.16 118.94 120.30 3bm1 s TRP 45 Ca 0.53 0.32 -0.03 0.00 -1.06 0.00 0.00 56.10 55.86 3bm1 s TRP 45 Cb 0.14 0.52 0.01 0.00 -1.16 0.00 0.00 33.47 32.98 3bm1 s TRP 45 CO -0.03 -0.54 0.09 -1.58 -4.06 0.00 0.00 176.95 170.83 3bm1 s HIS 46 N -2.79 -0.09 -0.07 1.66 2.46 -0.21 -4.77 115.29 111.48 3bm1 s HIS 46 Ca 0.03 0.21 0.01 0.00 0.47 0.00 0.00 55.06 55.78 3bm1 s HIS 46 Cb -0.01 0.02 -0.03 0.00 -0.13 0.00 0.00 32.58 32.44 3bm1 s HIS 46 CO -0.07 -0.06 -0.07 -0.06 -2.47 0.00 0.00 174.74 172.01 3bm1 s PHE 47 N -0.04 2.94 -0.22 3.88 2.99 -1.26 -1.75 117.98 124.52 3bm1 s PHE 47 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 56.93 56.94 3bm1 s PHE 47 Cb -0.01 -1.72 0.04 0.00 0.00 0.00 0.00 43.02 41.33 3bm1 s PHE 47 CO 0.00 0.32 -0.15 -0.06 -0.00 0.00 0.00 175.22 175.33 3bm1 s PHE 48 N -0.76 3.00 -0.24 0.36 0.08 -0.21 -4.96 117.98 115.25 3bm1 s PHE 48 Ca 0.12 -1.91 -0.20 0.00 0.12 0.00 0.00 56.93 55.05 3bm1 s PHE 48 Cb -0.11 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 3bm1 s PHE 48 CO 0.01 -0.83 0.61 0.08 -0.10 0.00 0.00 175.22 174.99 3bm1 s VAL 49 N 1.22 5.01 -0.31 -0.44 1.01 -1.26 -0.82 120.40 124.81 3bm1 s VAL 49 Ca -0.01 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.12 3bm1 s VAL 49 Cb -0.16 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.38 3bm1 s VAL 49 CO -0.09 0.07 -0.01 -0.63 0.00 0.00 0.00 175.10 174.44 3bm1 s ILE 50 N 2.26 2.23 0.13 2.22 1.01 0.26 -5.03 121.20 124.28 3bm1 s ILE 50 Ca 0.26 -2.09 0.04 0.00 0.00 0.00 0.00 60.65 58.87 3bm1 s ILE 50 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3bm1 s ILE 50 CO 0.09 -0.40 -0.11 -0.70 0.00 0.00 0.00 174.94 173.82 3bm1 s GLU 51 N 0.98 0.98 1.44 2.79 -6.30 -1.26 -1.40 118.70 115.93 3bm1 s GLU 51 Ca 0.04 -1.32 0.00 0.00 -2.50 0.00 0.00 54.97 51.19 3bm1 s GLU 51 Cb -0.19 -0.65 0.00 0.00 0.00 0.00 0.00 34.13 33.29 3bm1 s GLU 51 CO -0.07 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3bm1 n GLY 52 N 0.19 2.67 0.39 -1.50 0.00 -1.26 -0.92 105.19 104.75 3bm1 n GLY 52 Ca -0.13 0.10 0.26 0.00 0.00 0.00 0.00 46.02 46.25 3bm1 n GLY 52 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bm1 h GLU 53 N 0.00 0.31 -1.00 1.61 5.08 -1.98 0.30 114.58 118.89 3bm1 h GLU 53 Ca 0.00 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.55 3bm1 h GLU 53 Cb 0.00 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.08 3bm1 h GLU 53 CO 0.00 0.20 0.62 0.78 -1.00 0.00 0.00 179.01 179.61 3bm1 h GLY 54 N 0.32 1.61 0.93 -3.84 0.00 -1.40 0.20 103.07 100.89 3bm1 h GLY 54 Ca 0.70 -0.31 0.10 0.00 0.00 0.00 0.00 47.33 47.82 3bm1 h GLY 54 CO -0.46 -0.10 0.47 3.21 0.00 0.00 0.00 176.54 179.66 3bm1 h ARG 55 N 0.64 0.57 0.16 4.80 3.08 -0.50 0.13 114.38 123.25 3bm1 h ARG 55 Ca 0.58 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.59 3bm1 h ARG 55 Cb 1.08 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3bm1 h ARG 55 CO -0.36 0.38 -0.08 0.93 -1.07 0.00 0.00 179.97 179.77 3bm1 h GLU 56 N 0.59 -0.21 -0.49 0.04 4.39 -0.70 0.22 114.58 118.43 3bm1 h GLU 56 Ca 0.33 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3bm1 h GLU 56 Cb 0.48 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3bm1 h GLU 56 CO -0.11 -0.00 0.32 -0.09 -1.16 0.00 0.00 179.01 177.96 3bm1 h ARG 57 N -0.38 0.64 -0.88 2.33 2.43 -1.27 -0.95 114.38 116.31 3bm1 h ARG 57 Ca -0.02 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3bm1 h ARG 57 Cb 0.30 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 3bm1 h ARG 57 CO 0.04 0.44 0.58 0.35 -1.51 0.00 0.00 179.97 179.86 3bm1 h PHE 58 N 0.66 1.06 0.18 2.20 3.57 -0.64 -1.13 116.94 122.84 3bm1 h PHE 58 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3bm1 h PHE 58 Cb -0.06 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.32 3bm1 h PHE 58 CO -0.04 0.62 -0.10 1.03 -2.23 0.00 0.00 178.31 177.59 3bm1 h SER 59 N 1.10 -0.24 -0.92 0.41 0.87 0.57 -1.85 113.55 113.49 3bm1 h SER 59 Ca 0.35 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.98 3bm1 h SER 59 Cb 0.02 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 3bm1 h SER 59 CO -0.10 -0.17 0.59 0.00 -0.53 0.00 0.00 176.83 176.62 3bm1 h ALA 60 N 0.55 1.25 -0.30 6.23 0.00 -0.57 -1.00 119.26 125.44 3bm1 h ALA 60 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3bm1 h ALA 60 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3bm1 h ALA 60 CO 0.03 0.38 0.04 0.28 0.00 0.00 0.00 179.25 179.98 3bm1 h VAL 61 N 1.08 1.24 -0.63 0.00 2.07 -1.04 -0.95 116.25 118.02 3bm1 h VAL 61 Ca 0.39 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3bm1 h VAL 61 Cb 0.12 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3bm1 h VAL 61 CO -0.16 0.27 0.26 -0.07 0.02 0.00 0.00 177.57 177.88 3bm1 h LEU 62 N 0.31 0.87 -0.58 2.57 3.38 -0.97 0.94 115.31 121.82 3bm1 h LEU 62 Ca 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3bm1 h LEU 62 Cb 0.35 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3bm1 h LEU 62 CO 0.01 0.80 0.22 -0.08 0.09 0.00 0.00 178.44 179.48 3bm1 h GLU 63 N 0.88 0.87 -0.32 1.13 4.81 -1.09 -0.32 114.58 120.54 3bm1 h GLU 63 Ca 0.21 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3bm1 h GLU 63 Cb 0.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3bm1 h GLU 63 CO -0.02 0.75 0.18 0.37 -0.73 0.00 0.00 179.01 179.57 3bm1 h GLN 64 N 0.80 0.43 -0.87 1.92 4.15 -0.84 -0.90 115.11 119.81 3bm1 h GLN 64 Ca 0.19 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.59 3bm1 h GLN 64 Cb 0.22 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 3bm1 h GLN 64 CO -0.01 0.34 0.57 0.78 -1.93 0.00 0.00 178.83 178.58 3bm1 h GLY 65 N 0.40 1.24 0.86 2.39 0.00 -0.46 -0.81 103.07 106.69 3bm1 h GLY 65 Ca 0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3bm1 h GLY 65 CO -0.02 0.41 0.02 0.00 0.00 0.00 0.00 176.54 176.95 3bm1 h ALA 66 N 1.34 0.06 -0.14 3.60 0.00 -0.69 -0.72 119.26 122.71 3bm1 h ALA 66 Ca 0.33 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3bm1 h ALA 66 Cb -0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3bm1 h ALA 66 CO -0.09 -0.36 -0.23 0.82 0.00 0.00 0.00 179.25 179.39 3bm1 h ILE 67 N -0.08 0.44 -0.03 0.00 2.04 -0.80 -1.08 117.51 118.00 3bm1 h ILE 67 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3bm1 h ILE 67 Cb 0.15 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3bm1 h ILE 67 CO -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.15 3bm1 h ALA 68 N 0.68 1.95 0.00 1.87 0.00 -1.03 -0.77 119.26 121.96 3bm1 h ALA 68 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bm1 h ALA 68 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3bm1 h ALA 68 CO -0.30 0.04 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3bm1 n ALA 69 N -2.53 2.08 -0.93 0.00 0.00 -0.29 -4.88 120.51 113.97 3bm1 n ALA 69 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3bm1 n ALA 69 Cb 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3bm1 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bm1 n GLY 70 N 0.71 0.46 3.79 0.00 0.00 -0.29 -5.04 105.19 104.82 3bm1 n GLY 70 Ca 0.08 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 3bm1 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bm1 s SER 71 N -2.88 5.68 0.71 1.61 0.01 -0.94 -5.04 113.70 112.85 3bm1 s SER 71 Ca 0.00 1.94 -0.11 0.00 1.31 0.00 0.00 55.95 59.09 3bm1 s SER 71 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.69 3bm1 s SER 71 CO 0.00 -1.24 1.10 1.51 0.41 0.00 0.00 173.24 175.02 3bm1 s ASP 72 N -2.44 5.44 0.31 2.44 3.84 -1.26 -4.74 116.67 120.26 3bm1 s ASP 72 Ca 0.67 1.13 0.09 0.00 -0.00 0.00 0.00 52.55 54.43 3bm1 s ASP 72 Cb -0.19 -1.93 0.85 0.00 -1.38 0.00 0.00 42.92 40.28 3bm1 s ASP 72 CO 0.34 -1.34 1.73 0.44 -0.00 0.00 0.00 175.17 176.34 3bm1 h ASP 73 N -0.66 0.67 -0.44 2.11 3.32 -1.98 0.34 116.42 119.78 3bm1 h ASP 73 Ca -0.45 0.13 0.05 0.00 0.02 0.00 0.00 57.03 56.78 3bm1 h ASP 73 Cb 1.25 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 3bm1 h ASP 73 CO 0.64 0.12 0.18 0.50 -1.72 0.00 0.00 179.24 178.96 3bm1 h LYS 74 N 0.60 0.35 -0.25 3.56 3.64 -1.99 0.96 116.57 123.44 3bm1 h LYS 74 Ca 0.63 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.94 3bm1 h LYS 74 Cb 1.16 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3bm1 h LYS 74 CO -0.47 0.23 -0.05 0.00 -2.27 0.00 0.00 179.45 176.90 3bm1 h ALA 75 N 1.27 0.34 -0.92 5.00 0.00 -1.37 -1.97 119.26 121.62 3bm1 h ALA 75 Ca 0.20 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3bm1 h ALA 75 Cb 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3bm1 h ALA 75 CO -0.19 0.12 0.59 0.82 0.00 0.00 0.00 179.25 180.59 3bm1 h ILE 76 N 0.21 1.10 -0.42 0.00 2.04 -0.68 -0.34 117.51 119.42 3bm1 h ILE 76 Ca 0.06 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 3bm1 h ILE 76 Cb 0.50 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3bm1 h ILE 76 CO 0.02 0.20 0.07 0.44 0.00 0.00 0.00 178.15 178.88 3bm1 h ASP 77 N 1.10 0.66 -0.44 1.72 5.19 -0.70 -0.03 116.42 123.93 3bm1 h ASP 77 Ca 0.39 -0.26 -0.07 0.00 -0.62 0.00 0.00 57.03 56.47 3bm1 h ASP 77 Cb 0.10 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 3bm1 h ASP 77 CO -0.15 0.75 0.05 0.50 -3.12 0.00 0.00 179.24 177.26 3bm1 h LYS 78 N 0.54 0.81 0.11 3.56 3.64 -0.84 -1.56 116.57 122.84 3bm1 h LYS 78 Ca 0.13 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3bm1 h LYS 78 Cb 0.37 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3bm1 h LYS 78 CO 0.01 0.79 -0.05 0.00 -2.27 0.00 0.00 179.45 177.92 3bm1 h ALA 79 N 1.28 -0.14 -0.83 5.00 0.00 -0.79 -0.39 119.26 123.38 3bm1 h ALA 79 Ca 0.16 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3bm1 h ALA 79 Cb 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3bm1 h ALA 79 CO 0.01 -0.44 0.54 -0.09 0.00 0.00 0.00 179.25 179.27 3bm1 h ARG 80 N -0.42 0.75 -0.00 0.00 2.43 -0.83 -1.96 114.38 114.35 3bm1 h ARG 80 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3bm1 h ARG 80 Cb 0.34 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3bm1 h ARG 80 CO 0.02 0.50 -0.37 0.09 -1.51 0.00 0.00 179.97 178.70 3bm1 n ASN 81 N -4.52 0.67 -0.09 -3.80 3.02 -0.60 -4.53 115.26 105.42 3bm1 n ASN 81 Ca 0.14 -0.48 -0.07 0.00 -0.03 0.00 0.00 54.58 54.14 3bm1 n ASN 81 Cb 0.33 0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.65 3bm1 n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bm1 h ALA 82 N 3.29 -0.09 -0.48 5.41 0.00 -0.25 -2.95 119.26 124.20 3bm1 h ALA 82 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3bm1 h ALA 82 Cb 0.49 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3bm1 h ALA 82 CO 0.00 -0.66 0.35 -1.35 0.00 0.00 0.00 179.25 177.59 3bm1 h PRO 83 N -0.22 0.00 -0.03 0.00 0.11 -1.79 -2.76 132.00 127.30 3bm1 h PRO 83 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3bm1 h PRO 83 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3bm1 h PRO 83 CO -0.46 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.52 3bm1 n PHE 84 N -4.32 0.00 1.31 0.65 3.72 -1.11 -3.52 117.46 114.18 3bm1 n PHE 84 Ca 0.08 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.62 3bm1 n PHE 84 Cb 0.56 -0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.63 3bm1 n PHE 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3bm1 n ARG 85 N -0.48 0.62 -3.62 -1.08 1.74 -1.04 -4.87 116.66 107.93 3bm1 n ARG 85 Ca 0.00 -0.25 -0.16 0.00 -0.77 0.00 0.00 57.85 56.67 3bm1 n ARG 85 Cb 0.01 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 3bm1 n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bm1 s ALA 86 N -2.55 -1.35 -0.07 7.54 0.00 -1.23 -4.09 121.76 120.00 3bm1 s ALA 86 Ca 0.26 0.86 0.31 0.00 0.00 0.00 0.00 51.96 53.38 3bm1 s ALA 86 Cb 0.20 0.08 1.26 0.00 0.00 0.00 0.00 23.12 24.65 3bm1 s ALA 86 CO 0.51 -0.35 1.91 -1.00 0.00 0.00 0.00 175.76 176.82 3bm1 h PRO 87 N 3.29 0.00 -3.30 0.00 0.13 -1.85 -3.44 132.00 126.83 3bm1 h PRO 87 Ca -0.28 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.67 3bm1 h PRO 87 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 3bm1 h PRO 87 CO 0.40 0.00 -0.48 -1.17 -0.23 0.00 0.00 178.00 176.51 3bm1 s LEU 88 N -5.68 1.30 -0.05 1.56 2.96 -1.09 -4.07 118.68 113.61 3bm1 s LEU 88 Ca 0.02 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 3bm1 s LEU 88 Cb 0.09 0.68 0.02 0.00 0.50 0.00 0.00 46.19 47.49 3bm1 s LEU 88 CO 0.50 -0.13 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.75 3bm1 s ILE 89 N -0.18 0.43 -0.21 6.68 1.01 -0.49 -0.49 121.20 127.95 3bm1 s ILE 89 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 3bm1 s ILE 89 Cb -0.02 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 3bm1 s ILE 89 CO 0.01 0.22 -0.06 -0.63 0.00 0.00 0.00 174.94 174.48 3bm1 s ILE 90 N 1.20 3.26 -0.11 2.92 1.01 0.39 -0.57 121.20 129.31 3bm1 s ILE 90 Ca -0.07 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3bm1 s ILE 90 Cb -0.14 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3bm1 s ILE 90 CO -0.02 0.44 0.38 -0.89 0.00 0.00 0.00 174.94 174.85 3bm1 s THR 91 N 1.41 5.21 -0.18 2.92 2.01 0.00 -0.10 115.64 126.90 3bm1 s THR 91 Ca 0.05 0.74 -0.02 0.00 0.31 0.00 0.00 61.69 62.77 3bm1 s THR 91 Cb -0.14 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 3bm1 s THR 91 CO -0.04 0.42 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 3bm1 s VAL 92 N 0.08 2.98 -0.08 3.82 1.01 -0.69 -1.04 120.40 126.49 3bm1 s VAL 92 Ca 0.21 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3bm1 s VAL 92 Cb -0.15 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3bm1 s VAL 92 CO 0.08 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 3bm1 s VAL 93 N 1.08 2.83 -0.28 2.92 1.01 -0.72 -1.24 120.40 126.01 3bm1 s VAL 93 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 3bm1 s VAL 93 Cb -0.15 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3bm1 s VAL 93 CO -0.02 0.57 0.70 0.00 0.00 0.00 0.00 175.10 176.34 3bm1 s ALA 94 N -0.27 3.58 -0.62 5.51 0.00 0.55 -1.05 121.76 129.45 3bm1 s ALA 94 Ca 0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 3bm1 s ALA 94 Cb -0.13 -3.16 0.15 0.00 0.00 0.00 0.00 23.12 19.99 3bm1 s ALA 94 CO 0.03 -0.99 0.60 0.15 0.00 0.00 0.00 175.76 175.54 3bm1 s LYS 95 N 2.70 3.16 0.46 0.00 -0.14 -0.92 -2.13 119.74 122.87 3bm1 s LYS 95 Ca 0.29 -1.86 -0.03 0.00 -1.36 0.00 0.00 55.97 53.00 3bm1 s LYS 95 Cb -0.15 -4.34 -0.03 0.00 -1.68 0.00 0.00 37.83 31.63 3bm1 s LYS 95 CO 0.10 -1.35 0.73 0.00 -0.76 0.00 0.00 175.35 174.07 3bm1 s GLU 97 N -4.64 0.23 0.05 0.00 2.56 -1.26 -4.84 118.70 110.79 3bm1 s GLU 97 Ca 0.46 0.20 -0.25 0.00 0.00 0.00 0.00 54.97 55.38 3bm1 s GLU 97 Cb -0.10 0.11 -0.13 0.00 2.00 0.00 0.00 34.13 36.00 3bm1 s GLU 97 CO 0.42 -0.03 0.63 0.39 -0.56 0.00 0.00 175.26 176.10 3bm1 n GLU 98 N 2.87 0.00 0.00 4.30 -0.58 -1.26 -4.70 120.64 121.27 3bm1 n GLU 98 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 3bm1 n GLU 98 Cb 0.59 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 3bm1 n GLU 98 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3bm1 n ASN 99 N 1.18 0.00 -2.77 1.62 4.13 -1.26 -4.95 115.26 113.21 3bm1 n ASN 99 Ca 0.14 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.30 3bm1 n ASN 99 Cb 0.10 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.42 3bm1 n ASN 99 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3bm1 n HIS 100 N 0.00 -2.37 -1.05 3.10 -0.00 -1.26 -4.83 115.22 108.81 3bm1 n HIS 100 Ca 0.00 -2.28 -0.02 0.00 0.46 0.00 0.00 57.72 55.89 3bm1 n HIS 100 Cb 0.00 1.36 -0.01 0.00 -0.12 0.00 0.00 29.99 31.23 3bm1 n HIS 100 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3bm1 n LYS 101 N 0.14 -1.62 -3.67 1.57 5.02 -1.26 -4.89 118.16 113.45 3bm1 n LYS 101 Ca 0.06 0.48 -0.30 0.00 -2.02 0.00 0.00 58.31 56.54 3bm1 n LYS 101 Cb 0.73 -4.73 -0.14 0.00 -0.02 0.00 0.00 35.03 30.87 3bm1 n LYS 101 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bm1 s VAL 102 N -1.31 0.81 0.84 -0.18 1.01 -1.26 -5.05 120.40 115.26 3bm1 s VAL 102 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 3bm1 s VAL 102 Cb 0.00 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 34.88 3bm1 s VAL 102 CO 0.00 -0.78 1.19 -2.16 0.00 0.00 0.00 175.10 173.35 3bm1 s PRO 103 N 1.27 1.40 0.26 2.72 0.04 -1.26 -4.48 135.00 134.95 3bm1 s PRO 103 Ca 0.13 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 3bm1 s PRO 103 Cb -0.20 -1.76 0.57 0.00 0.04 0.00 0.00 34.50 33.16 3bm1 s PRO 103 CO -0.16 -2.38 1.70 -0.09 0.04 0.00 0.00 177.00 176.11 3bm1 h ARG 104 N -1.24 0.36 -0.41 4.56 2.43 -1.99 -1.71 114.38 116.39 3bm1 h ARG 104 Ca -0.45 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 3bm1 h ARG 104 Cb 1.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3bm1 h ARG 104 CO 0.44 0.24 0.28 0.11 -1.51 0.00 0.00 179.97 179.53 3bm1 h TRP 105 N 0.38 0.44 -0.14 2.20 5.08 -1.99 -1.16 115.95 120.75 3bm1 h TRP 105 Ca 0.47 0.01 -0.12 0.00 1.08 0.00 0.00 58.89 60.33 3bm1 h TRP 105 Cb 0.82 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.82 3bm1 h TRP 105 CO -0.19 0.26 -0.44 0.93 -1.28 0.00 0.00 178.44 177.72 3bm1 h GLU 106 N 0.46 0.34 -0.26 0.12 5.08 -1.65 0.20 114.58 118.87 3bm1 h GLU 106 Ca 0.17 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 3bm1 h GLU 106 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3bm1 h GLU 106 CO -0.04 0.72 -0.58 1.96 -1.00 0.00 0.00 179.01 180.07 3bm1 h GLN 107 N 0.28 0.81 -0.58 2.33 4.20 -1.24 -1.64 115.11 119.26 3bm1 h GLN 107 Ca 0.02 -0.53 -0.09 0.00 0.06 0.00 0.00 58.65 58.11 3bm1 h GLN 107 Cb 0.89 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3bm1 h GLN 107 CO 0.07 1.16 0.01 0.93 -0.67 0.00 0.00 178.83 180.33 3bm1 h GLU 108 N 0.61 1.01 -0.21 1.46 5.08 -1.03 -2.76 114.58 118.74 3bm1 h GLU 108 Ca 0.01 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3bm1 h GLU 108 Cb 1.18 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3bm1 h GLU 108 CO 0.12 0.98 -0.06 1.98 -1.00 0.00 0.00 179.01 181.03 3bm1 h MET 109 N 0.93 -0.02 -0.52 2.33 4.05 -0.33 -0.83 114.93 120.55 3bm1 h MET 109 Ca 0.17 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.67 3bm1 h MET 109 Cb 0.52 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.26 3bm1 h MET 109 CO 0.03 -0.01 0.16 0.77 0.23 0.00 0.00 176.91 178.08 3bm1 h SER 110 N -0.02 0.12 -0.86 1.39 0.02 -1.11 0.57 113.55 113.65 3bm1 h SER 110 Ca 0.11 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3bm1 h SER 110 Cb 0.18 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 3bm1 h SER 110 CO -0.23 0.09 0.57 0.00 -1.14 0.00 0.00 176.83 176.12 3bm1 h ALA 111 N 1.37 1.44 -0.05 3.77 0.00 -1.13 -1.20 119.26 123.46 3bm1 h ALA 111 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bm1 h ALA 111 Cb 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3bm1 h ALA 111 CO -0.29 0.49 0.01 0.78 0.00 0.00 0.00 179.25 180.25 3bm1 h GLY 112 N 1.11 0.08 1.28 0.00 0.00 0.32 -2.43 103.07 103.43 3bm1 h GLY 112 Ca 0.33 -0.05 0.10 0.00 0.00 0.00 0.00 47.33 47.71 3bm1 h GLY 112 CO -0.09 0.05 0.27 0.00 0.00 0.00 0.00 176.54 176.76 3bm1 h ALA 114 N 1.81 1.00 -0.55 0.00 0.00 -0.75 -0.36 119.26 120.42 3bm1 h ALA 114 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bm1 h ALA 114 Cb 0.64 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3bm1 h ALA 114 CO -0.01 0.61 0.32 0.28 0.00 0.00 0.00 179.25 180.45 3bm1 h VAL 115 N 1.11 1.17 -0.38 0.00 2.07 -0.67 -0.92 116.25 118.63 3bm1 h VAL 115 Ca 0.26 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3bm1 h VAL 115 Cb 0.19 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3bm1 h VAL 115 CO -0.02 0.18 -0.08 -0.03 0.02 0.00 0.00 177.57 177.63 3bm1 h MET 116 N 0.74 0.73 -0.96 1.57 -1.53 -1.25 -1.57 114.93 112.66 3bm1 h MET 116 Ca 0.20 -0.27 0.07 0.00 -3.44 0.00 0.00 59.70 56.25 3bm1 h MET 116 Cb 0.00 -0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 30.94 3bm1 h MET 116 CO -0.04 0.87 0.62 0.00 0.14 0.00 0.00 176.91 178.50 3bm1 h ALA 117 N 0.84 1.34 -0.10 0.39 0.00 -0.82 -0.27 119.26 120.64 3bm1 h ALA 117 Ca 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3bm1 h ALA 117 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3bm1 h ALA 117 CO 0.04 0.39 -0.64 0.52 0.00 0.00 0.00 179.25 179.55 3bm1 h MET 118 N 1.12 0.38 -0.68 0.00 2.86 -0.98 -0.63 114.93 117.00 3bm1 h MET 118 Ca 0.42 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3bm1 h MET 118 Cb 0.18 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3bm1 h MET 118 CO -0.18 0.90 0.25 0.37 1.06 0.00 0.00 176.91 179.31 3bm1 h GLN 119 N 0.28 1.03 -0.22 1.72 -0.00 -0.45 -1.38 115.11 116.09 3bm1 h GLN 119 Ca -0.01 -0.20 -0.12 0.00 -0.00 0.00 0.00 58.65 58.32 3bm1 h GLN 119 Cb 1.19 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.49 3bm1 h GLN 119 CO 0.11 0.87 -0.36 0.52 0.00 0.00 0.00 178.83 179.97 3bm1 h MET 120 N 0.98 0.47 0.00 1.69 2.86 -0.87 -2.43 114.93 117.63 3bm1 h MET 120 Ca 0.22 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3bm1 h MET 120 Cb 0.24 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3bm1 h MET 120 CO -0.01 0.77 -0.21 0.00 1.06 0.00 0.00 176.91 178.52 3bm1 h ALA 121 N 1.21 1.27 -0.04 6.32 0.00 -0.57 0.23 119.26 127.68 3bm1 h ALA 121 Ca 0.04 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3bm1 h ALA 121 Cb 0.82 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3bm1 h ALA 121 CO 0.07 0.26 -0.56 0.00 0.00 0.00 0.00 179.25 179.02 3bm1 h ALA 122 N 1.79 0.13 -0.46 0.00 0.00 -0.88 -3.16 119.26 116.68 3bm1 h ALA 122 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3bm1 h ALA 122 Cb 0.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3bm1 h ALA 122 CO 0.03 0.36 0.24 0.28 0.00 0.00 0.00 179.25 180.16 3bm1 h VAL 123 N -0.01 1.17 0.00 0.00 2.07 -0.95 0.05 116.25 118.58 3bm1 h VAL 123 Ca -0.06 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3bm1 h VAL 123 Cb 1.24 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3bm1 h VAL 123 CO 0.11 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3bm1 n ALA 124 N -2.28 1.11 -0.93 1.67 0.00 0.02 -1.88 120.51 118.21 3bm1 n ALA 124 Ca 0.01 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.71 3bm1 n ALA 124 Cb 0.10 -1.30 0.24 0.00 0.00 0.00 0.00 19.45 18.49 3bm1 n ALA 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bm1 n GLN 125 N -2.20 2.82 -0.65 0.00 6.02 -0.77 -4.79 117.38 117.82 3bm1 n GLN 125 Ca -0.01 -2.76 0.00 0.00 -0.01 0.00 0.00 57.00 54.22 3bm1 n GLN 125 Cb 0.05 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.54 3bm1 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bm1 n GLY 126 N -0.48 0.73 0.00 1.08 0.00 -0.79 -5.04 105.19 100.68 3bm1 n GLY 126 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3bm1 n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bm1 n PHE 127 N -2.40 -0.55 -3.80 1.61 3.72 -0.07 -4.71 117.46 111.25 3bm1 n PHE 127 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 3bm1 n PHE 127 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3bm1 n PHE 127 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3bm1 s GLY 128 N -0.89 -0.06 -0.10 1.37 0.00 0.06 -3.75 107.32 103.94 3bm1 s GLY 128 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 44.72 44.27 3bm1 s GLY 128 CO 0.00 0.60 1.42 -0.32 0.00 0.00 0.00 173.10 174.80 3bm1 s GLY 129 N -3.08 -0.41 -0.05 0.20 0.00 -1.26 -1.35 107.32 101.38 3bm1 s GLY 129 Ca 0.15 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.53 3bm1 s GLY 129 CO 0.04 2.57 0.12 -1.50 0.00 0.00 0.00 173.10 174.33 3bm1 s ILE 130 N -2.01 -0.02 -0.26 0.90 2.07 0.11 -1.88 121.20 120.11 3bm1 s ILE 130 Ca 0.21 0.06 -0.29 0.00 -1.41 0.00 0.00 60.65 59.22 3bm1 s ILE 130 Cb 0.05 -0.19 0.01 0.00 0.13 0.00 0.00 42.46 42.47 3bm1 s ILE 130 CO -0.06 0.02 1.06 0.86 -1.91 0.00 0.00 174.94 174.92 3bm1 s TRP 131 N 0.41 3.25 0.18 3.50 -0.11 -1.26 -1.88 118.94 123.04 3bm1 s TRP 131 Ca -0.03 1.35 0.10 0.00 1.22 0.00 0.00 56.10 58.74 3bm1 s TRP 131 Cb -0.04 -3.44 -0.04 0.00 -1.50 0.00 0.00 33.47 28.44 3bm1 s TRP 131 CO -0.02 -0.62 -0.21 1.03 -4.62 0.00 0.00 176.95 172.51 3bm1 s ARG 132 N 3.39 1.41 0.00 5.86 0.52 -0.62 -4.96 118.95 124.55 3bm1 s ARG 132 Ca 0.45 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3bm1 s ARG 132 Cb -0.14 -1.61 0.00 0.00 0.52 0.00 0.00 34.95 33.72 3bm1 s ARG 132 CO 0.10 0.34 0.00 -1.13 0.02 0.00 0.00 175.30 174.63 3bm1 n SER 133 N 0.26 0.00 0.00 0.23 3.41 -1.26 0.44 113.62 116.70 3bm1 n SER 133 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3bm1 n SER 133 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3bm1 n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bm1 n GLY 134 N 1.08 0.18 0.27 5.00 0.00 -1.26 -4.58 105.19 105.87 3bm1 n GLY 134 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.34 3bm1 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bm1 h ALA 135 N 0.00 1.41 0.00 4.61 0.00 -2.03 -2.86 119.26 120.39 3bm1 h ALA 135 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3bm1 h ALA 135 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3bm1 h ALA 135 CO 0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 3bm1 n LEU 136 N -3.78 0.08 0.28 0.00 4.77 -1.26 -1.86 117.00 115.24 3bm1 n LEU 136 Ca -0.02 0.53 0.17 0.00 -0.03 0.00 0.00 56.01 56.66 3bm1 n LEU 136 Cb 0.19 -0.52 0.78 0.00 -2.33 0.00 0.00 43.42 41.53 3bm1 n LEU 136 CO 0.30 -0.40 1.01 0.71 -1.33 0.00 0.00 177.39 177.68 3bm1 h THR 137 N 0.00 0.10 -0.33 -5.08 1.35 -1.75 -2.20 112.91 105.01 3bm1 h THR 137 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3bm1 h THR 137 Cb 0.16 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3bm1 h THR 137 CO 0.00 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 174.68 3bm1 n GLU 138 N -3.16 2.46 -2.52 4.72 -0.58 -0.77 -4.45 120.64 116.33 3bm1 n GLU 138 Ca -0.00 -2.19 -0.42 0.00 -0.42 0.00 0.00 57.16 54.12 3bm1 n GLU 138 Cb 0.26 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 3bm1 n GLU 138 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3bm1 s SER 139 N -1.58 7.17 0.24 1.62 0.15 -0.83 -4.96 113.70 115.51 3bm1 s SER 139 Ca 0.37 1.85 -0.05 0.00 0.70 0.00 0.00 55.95 58.82 3bm1 s SER 139 Cb 0.22 -2.57 0.37 0.00 -1.71 0.00 0.00 66.02 62.33 3bm1 s SER 139 CO 0.31 -0.43 1.80 -0.65 1.20 0.00 0.00 173.24 175.48 3bm1 h PRO 140 N 6.94 0.71 -0.59 5.44 0.11 -1.93 0.15 132.00 142.83 3bm1 h PRO 140 Ca -0.39 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 3bm1 h PRO 140 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3bm1 h PRO 140 CO 0.81 0.47 0.01 0.28 -0.21 0.00 0.00 178.00 179.35 3bm1 h VAL 141 N 0.73 1.27 -0.18 3.15 2.07 -1.94 -1.13 116.25 120.20 3bm1 h VAL 141 Ca 0.37 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3bm1 h VAL 141 Cb 0.35 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3bm1 h VAL 141 CO -0.25 0.41 -0.05 0.58 0.02 0.00 0.00 177.57 178.29 3bm1 h VAL 142 N 0.93 1.29 -0.73 2.57 2.07 -1.69 -2.33 116.25 118.35 3bm1 h VAL 142 Ca 0.17 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3bm1 h VAL 142 Cb 0.55 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3bm1 h VAL 142 CO 0.03 0.31 0.46 0.03 0.02 0.00 0.00 177.57 178.41 3bm1 h ARG 143 N 0.06 0.85 -0.65 1.57 3.08 -0.63 -2.17 114.38 116.49 3bm1 h ARG 143 Ca 0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3bm1 h ARG 143 Cb 0.49 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3bm1 h ARG 143 CO 0.02 0.56 0.20 1.49 -1.07 0.00 0.00 179.97 181.17 3bm1 h GLU 144 N 0.88 0.99 0.00 0.04 4.81 -1.14 -0.52 114.58 119.64 3bm1 h GLU 144 Ca 0.30 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3bm1 h GLU 144 Cb 0.06 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3bm1 h GLU 144 CO -0.13 0.85 -0.02 0.00 -0.73 0.00 0.00 179.01 178.99 3bm1 h ALA 145 N 1.26 1.16 -0.21 2.92 0.00 -0.82 -1.69 119.26 121.88 3bm1 h ALA 145 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3bm1 h ALA 145 Cb 0.28 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3bm1 h ALA 145 CO -0.01 0.02 -0.16 1.19 0.00 0.00 0.00 179.25 180.29 3bm1 n PHE 146 N -3.34 0.67 -4.08 0.00 3.72 -0.71 -4.99 117.46 108.73 3bm1 n PHE 146 Ca -0.02 -1.41 -0.32 0.00 -0.05 0.00 0.00 57.45 55.64 3bm1 n PHE 146 Cb 0.13 -0.37 -0.01 0.00 -0.94 0.00 0.00 39.48 38.29 3bm1 n PHE 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bm1 n GLY 147 N -1.08 -0.42 3.68 1.37 0.00 -0.64 -4.92 105.19 103.18 3bm1 n GLY 147 Ca 0.26 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 3bm1 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bm1 s ARG 149 N 2.38 1.17 0.27 0.00 0.52 -1.26 -4.75 118.95 117.28 3bm1 s ARG 149 Ca 0.49 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.96 3bm1 s ARG 149 Cb -0.19 -2.08 0.48 0.00 0.52 0.00 0.00 34.95 33.68 3bm1 s ARG 149 CO 0.16 -1.93 1.86 0.93 0.02 0.00 0.00 175.30 176.33 3bm1 h GLU 150 N -1.10 1.05 -0.00 3.54 5.08 -2.00 -1.89 114.58 119.26 3bm1 h GLU 150 Ca -0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3bm1 h GLU 150 Cb 1.25 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3bm1 h GLU 150 CO 0.40 0.69 -0.23 1.04 -1.00 0.00 0.00 179.01 179.91 3bm1 n GLN 151 N -4.57 0.24 -2.32 2.33 3.00 -1.26 -4.90 117.38 109.91 3bm1 n GLN 151 Ca 0.17 -0.09 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 3bm1 n GLN 151 Cb 0.27 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.99 3bm1 n GLN 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3bm1 s ASP 152 N -2.83 6.55 -0.11 1.08 1.01 -0.71 -4.33 116.67 117.33 3bm1 s ASP 152 Ca 0.18 1.52 -0.06 0.00 0.71 0.00 0.00 52.55 54.90 3bm1 s ASP 152 Cb 0.19 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.67 3bm1 s ASP 152 CO 0.58 -0.63 0.26 -0.75 0.21 0.00 0.00 175.17 174.83 3bm1 s LYS 153 N -4.27 0.23 -0.29 8.23 2.20 -0.90 -4.74 119.74 120.19 3bm1 s LYS 153 Ca 0.58 0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 56.43 3bm1 s LYS 153 Cb -0.10 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 3bm1 s LYS 153 CO 0.36 -0.15 1.27 0.42 -0.36 0.00 0.00 175.35 176.88 3bm1 s ILE 154 N 1.16 4.20 -0.70 5.43 1.01 -1.26 -0.33 121.20 130.71 3bm1 s ILE 154 Ca -0.08 1.37 0.23 0.00 0.00 0.00 0.00 60.65 62.16 3bm1 s ILE 154 Cb -0.09 -4.18 -0.14 0.00 0.01 0.00 0.00 42.46 38.05 3bm1 s ILE 154 CO -0.08 -0.46 1.01 1.33 0.00 0.00 0.00 174.94 176.74 3bm1 n VAL 155 N 6.11 0.10 0.00 2.92 0.24 -0.37 -4.93 118.33 122.39 3bm1 n VAL 155 Ca 0.14 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3bm1 n VAL 155 Cb 0.47 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 3bm1 n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bm1 n GLY 156 N 1.41 1.19 3.07 7.63 0.00 -1.21 -4.90 105.19 112.38 3bm1 n GLY 156 Ca 0.02 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3bm1 n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bm1 s PHE 157 N -2.00 3.52 -0.51 1.61 0.08 0.17 -1.70 117.98 119.15 3bm1 s PHE 157 Ca 0.00 -2.54 -0.23 0.00 0.12 0.00 0.00 56.93 54.28 3bm1 s PHE 157 Cb 0.00 -2.56 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 3bm1 s PHE 157 CO 0.00 -0.91 0.86 -1.17 -0.10 0.00 0.00 175.22 173.90 3bm1 s LEU 158 N 1.05 4.26 -0.07 -0.37 2.96 0.85 -1.59 118.68 125.77 3bm1 s LEU 158 Ca 0.02 -0.34 -0.26 0.00 -0.22 0.00 0.00 54.13 53.33 3bm1 s LEU 158 Cb -0.20 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3bm1 s LEU 158 CO -0.05 -1.09 0.83 -0.31 -1.32 0.00 0.00 176.35 174.40 3bm1 s TYR 159 N 3.59 3.56 0.08 5.38 2.02 -0.79 -0.46 117.35 130.73 3bm1 s TYR 159 Ca 0.28 1.40 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 3bm1 s TYR 159 Cb -0.13 -2.96 -0.03 0.00 -0.40 0.00 0.00 41.96 38.43 3bm1 s TYR 159 CO 0.19 -0.03 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.54 3bm1 s LEU 160 N 1.23 2.36 0.00 -1.29 1.43 0.36 -0.71 118.68 122.06 3bm1 s LEU 160 Ca 0.42 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3bm1 s LEU 160 Cb -0.18 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.79 3bm1 s LEU 160 CO 0.20 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3bm1 n GLY 161 N 0.84 -1.78 3.61 -3.19 0.00 -0.46 -2.68 105.19 101.54 3bm1 n GLY 161 Ca -0.18 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3bm1 n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bm1 s THR 162 N -2.36 4.66 0.46 2.61 2.01 -0.01 -0.76 115.64 122.24 3bm1 s THR 162 Ca 0.00 1.24 -0.25 0.00 0.31 0.00 0.00 61.69 63.00 3bm1 s THR 162 Cb 0.00 -4.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 3bm1 s THR 162 CO 0.00 -0.42 1.37 -2.16 -0.69 0.00 0.00 174.62 172.72 3bm1 s PRO 163 N 3.29 3.63 -0.12 4.92 0.04 -1.26 -2.44 135.00 143.07 3bm1 s PRO 163 Ca 0.37 2.29 0.16 0.00 0.04 0.00 0.00 61.00 63.86 3bm1 s PRO 163 Cb -0.13 -2.58 0.29 0.00 0.04 0.00 0.00 34.50 32.12 3bm1 s PRO 163 CO 0.16 -0.81 1.17 0.00 0.04 0.00 0.00 177.00 177.55 3bm1 n GLN 164 N -0.32 1.76 0.00 4.56 10.64 -1.12 -4.96 117.38 127.94 3bm1 n GLN 164 Ca 0.06 -2.47 0.00 0.00 -1.83 0.00 0.00 57.00 52.76 3bm1 n GLN 164 Cb 0.43 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 3bm1 n GLN 164 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3bm1 n LEU 165 N -1.15 0.00 0.00 2.61 7.99 -1.26 -5.12 117.00 120.07 3bm1 n LEU 165 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 3bm1 n LEU 165 Cb 0.62 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 3bm1 n LEU 165 CO 0.03 0.00 0.00 -3.20 -1.51 0.00 0.00 177.39 172.71 3bm1 n ASN 172 N 0.00 0.00 -1.87 -1.43 2.85 -1.26 -5.24 115.26 108.30 3bm1 n ASN 172 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3bm1 n ASN 172 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3bm1 n ASN 172 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3bm1 n VAL 173 N 0.00-10.43 -1.70 3.44 0.31 -1.26 -4.92 118.33 103.78 3bm1 n VAL 173 Ca 0.00 2.39 -0.39 0.00 -0.01 0.00 0.00 64.34 66.32 3bm1 n VAL 173 Cb 0.00 -5.06 0.03 0.00 -0.91 0.00 0.00 33.84 27.90 3bm1 n VAL 173 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3bm1 n PRO 174 N 1.36 1.62 -4.01 5.55 -0.04 -1.26 -4.99 135.00 133.21 3bm1 n PRO 174 Ca 0.00 0.59 -0.31 0.00 -0.04 0.00 0.00 63.50 63.74 3bm1 n PRO 174 Cb 0.00 -2.39 -0.15 0.00 -0.04 0.00 0.00 33.50 30.92 3bm1 n PRO 174 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3bm1 s ASP 175 N -0.82 4.73 0.00 3.54 2.15 -1.26 -4.98 116.67 120.03 3bm1 s ASP 175 Ca 0.68 -2.20 0.29 0.00 0.43 0.00 0.00 52.55 51.75 3bm1 s ASP 175 Cb -0.46 -1.61 1.53 0.00 -0.30 0.00 0.00 42.92 42.08 3bm1 s ASP 175 CO 0.53 -0.37 2.01 -0.81 -0.17 0.00 0.00 175.17 176.35 3bm1 n PRO 176 N 4.20 1.22 -0.26 4.34 -0.04 -1.26 -4.37 135.00 138.82 3bm1 n PRO 176 Ca 0.04 -0.32 0.10 0.00 -0.04 0.00 0.00 63.50 63.28 3bm1 n PRO 176 Cb 0.41 -1.47 0.35 0.00 -0.04 0.00 0.00 33.50 32.76 3bm1 n PRO 176 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3bm1 h THR 177 N 0.75 0.89 0.00 0.52 1.35 -1.94 -0.92 112.91 113.56 3bm1 h THR 177 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3bm1 h THR 177 Cb 0.16 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 3bm1 h THR 177 CO 0.00 0.14 0.00 -2.65 -0.25 0.00 0.00 175.52 172.76 3bm1 n PRO 178 N -4.54 0.14 -0.10 4.72 -0.02 -1.26 -3.01 135.00 130.93 3bm1 n PRO 178 Ca 0.16 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 62.05 3bm1 n PRO 178 Cb 0.40 -1.76 0.09 0.00 -0.02 0.00 0.00 33.50 32.20 3bm1 n PRO 178 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3bm1 n PHE 179 N -2.02 0.26 -4.73 6.00 3.72 -0.38 -5.02 117.46 115.29 3bm1 n PHE 179 Ca 0.02 -0.46 -0.33 0.00 -0.05 0.00 0.00 57.45 56.64 3bm1 n PHE 179 Cb 0.21 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.60 3bm1 n PHE 179 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3bm1 s VAL 180 N -0.96 3.26 -0.02 -4.37 1.01 -1.05 -5.12 120.40 113.15 3bm1 s VAL 180 Ca 0.14 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3bm1 s VAL 180 Cb 0.07 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3bm1 s VAL 180 CO 0.09 0.52 -0.04 -0.89 0.00 0.00 0.00 175.10 174.79 3bm1 s THR 181 N -0.82 0.39 -0.44 3.92 2.01 -1.26 -5.00 115.64 114.44 3bm1 s THR 181 Ca 0.13 -0.15 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 3bm1 s THR 181 Cb -0.11 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.07 3bm1 s THR 181 CO 0.03 0.14 0.42 -0.31 -0.69 0.00 0.00 174.62 174.21 3bm1 s TYR 182 N 0.25 3.18 -1.17 4.92 2.02 -1.26 -5.27 117.35 120.03 3bm1 s TYR 182 Ca -0.03 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 3bm1 s TYR 182 Cb -0.06 -2.95 0.00 0.00 -0.40 0.00 0.00 41.96 38.55 3bm1 s TYR 182 CO -0.00 -0.73 0.29 0.34 -1.57 0.00 0.00 175.55 173.88