#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bl5 s LEU 2 N 0.00 2.68 -0.08 2.61 1.43 0.10 -4.86 118.68 120.56 2bl5 s LEU 2 Ca 0.00 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2bl5 s LEU 2 Cb 0.00 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 2bl5 s LEU 2 CO 0.00 0.23 -0.24 -1.10 0.23 0.00 0.00 176.35 175.48 2bl5 s GLN 3 N -0.07 2.78 -0.20 1.70 -0.21 -1.26 -0.58 119.66 121.82 2bl5 s GLN 3 Ca -0.03 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 54.49 2bl5 s GLN 3 Cb -0.14 -2.19 0.02 0.00 1.00 0.00 0.00 33.01 31.70 2bl5 s GLN 3 CO 0.04 0.24 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.09 2bl5 s GLU 4 N 0.18 3.02 -0.27 2.91 2.02 -0.61 -4.98 118.70 120.96 2bl5 s GLU 4 Ca -0.13 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 53.96 2bl5 s GLU 4 Cb -0.16 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 2bl5 s GLU 4 CO 0.07 -0.24 0.07 0.15 0.02 0.00 0.00 175.26 175.33 2bl5 s LYS 5 N 1.32 3.31 -0.66 1.61 3.01 -1.26 -1.69 119.74 125.39 2bl5 s LYS 5 Ca 0.04 -0.71 -0.16 0.00 -1.01 0.00 0.00 55.97 54.14 2bl5 s LYS 5 Cb -0.14 -3.33 0.16 0.00 -1.01 0.00 0.00 37.83 33.51 2bl5 s LYS 5 CO -0.10 -0.34 0.63 -0.51 0.51 0.00 0.00 175.35 175.55 2bl5 s LEU 6 N 1.54 6.27 0.13 3.17 1.43 0.62 -4.94 118.68 126.90 2bl5 s LEU 6 Ca 0.04 -2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 50.77 2bl5 s LEU 6 Cb -0.16 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 2bl5 s LEU 6 CO 0.02 -0.79 1.12 -0.31 0.23 0.00 0.00 176.35 176.62 2bl5 s TYR 7 N 1.26 3.56 -0.22 0.29 1.51 -1.26 -2.11 117.35 120.37 2bl5 s TYR 7 Ca 0.10 1.52 -0.00 0.00 -1.01 0.00 0.00 57.07 57.68 2bl5 s TYR 7 Cb -0.22 -3.30 0.06 0.00 -0.11 0.00 0.00 41.96 38.39 2bl5 s TYR 7 CO -0.01 -0.74 -0.04 0.14 -1.11 0.00 0.00 175.55 173.79 2bl5 s VAL 8 N 0.24 1.28 -0.79 0.71 -7.23 -0.75 -4.99 120.40 108.87 2bl5 s VAL 8 Ca 0.52 -1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 2bl5 s VAL 8 Cb -0.29 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 2bl5 s VAL 8 CO 0.33 -0.09 1.85 -2.16 -0.31 0.00 0.00 175.10 174.72 2bl5 s PRO 9 N 1.52 2.68 0.51 4.82 0.04 -1.26 -4.11 135.00 139.20 2bl5 s PRO 9 Ca -0.04 -0.00 0.24 0.00 0.04 0.00 0.00 61.00 61.24 2bl5 s PRO 9 Cb -0.18 -4.78 1.37 0.00 0.04 0.00 0.00 34.50 30.95 2bl5 s PRO 9 CO -0.07 -2.99 2.08 -0.24 0.04 0.00 0.00 177.00 175.82 2bl5 h VAL 10 N 7.02 0.73 0.00 -0.36 3.04 -1.85 0.15 116.25 124.98 2bl5 h VAL 10 Ca -0.05 -0.48 -0.04 0.00 -1.01 0.00 0.00 66.70 65.13 2bl5 h VAL 10 Cb 1.07 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 2bl5 h VAL 10 CO 1.23 0.12 -0.18 0.11 -1.01 0.00 0.00 177.57 177.84 2bl5 h LYS 11 N 0.00 0.00 0.15 4.17 1.57 -1.97 -2.25 116.57 118.24 2bl5 h LYS 11 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2bl5 h LYS 11 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.60 2bl5 h LYS 11 CO 0.02 0.18 -1.30 0.93 -0.57 0.00 0.00 179.45 178.70 2bl5 h GLU 12 N 0.00 0.31 -2.49 3.15 4.39 -1.10 -3.39 114.58 115.45 2bl5 h GLU 12 Ca -0.00 -0.53 -0.60 0.00 0.34 0.00 0.00 59.36 58.57 2bl5 h GLU 12 Cb 0.66 0.20 -0.41 0.00 -0.10 0.00 0.00 28.75 29.09 2bl5 h GLU 12 CO 0.02 1.25 -0.65 0.66 -1.16 0.00 0.00 179.01 179.12 2bl5 n TYR 13 N -3.55 2.89 0.29 4.33 4.02 -0.75 -4.89 117.16 119.50 2bl5 n TYR 13 Ca -0.10 -4.11 0.18 0.00 -0.01 0.00 0.00 57.90 53.86 2bl5 n TYR 13 Cb 1.04 -0.51 0.82 0.00 -0.02 0.00 0.00 39.34 40.66 2bl5 n TYR 13 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2bl5 h PRO 14 N 4.65 0.00 0.00 -0.72 0.11 -1.62 -2.20 132.00 132.22 2bl5 h PRO 14 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2bl5 h PRO 14 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2bl5 h PRO 14 CO 0.74 0.02 -0.79 -0.40 -0.21 0.00 0.00 178.00 177.35 2bl5 n ASP 15 N -3.14 0.63 -4.29 -2.05 5.75 -1.26 -4.67 116.55 107.53 2bl5 n ASP 15 Ca -0.00 -0.12 -0.39 0.00 -0.01 0.00 0.00 54.79 54.27 2bl5 n ASP 15 Cb 0.25 0.48 -0.11 0.00 -1.03 0.00 0.00 41.12 40.71 2bl5 n ASP 15 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bl5 s PHE 16 N -3.15 3.30 -0.99 2.11 5.36 -0.83 -5.03 117.98 118.75 2bl5 s PHE 16 Ca 0.06 -1.39 -0.23 0.00 -0.96 0.00 0.00 56.93 54.41 2bl5 s PHE 16 Cb 0.15 -2.62 0.05 0.00 -0.34 0.00 0.00 43.02 40.26 2bl5 s PHE 16 CO 0.76 -0.77 1.42 0.54 -1.46 0.00 0.00 175.22 175.71 2bl5 s ASN 17 N 1.74 6.47 0.26 6.13 4.22 -1.26 -4.84 114.94 127.67 2bl5 s ASN 17 Ca 0.01 -1.38 -0.03 0.00 -2.14 0.00 0.00 52.86 49.32 2bl5 s ASN 17 Cb -0.21 -2.56 0.38 0.00 1.28 0.00 0.00 41.25 40.14 2bl5 s ASN 17 CO 0.03 -1.52 1.89 -0.26 -2.04 0.00 0.00 177.10 175.20 2bl5 h PHE 18 N 9.78 1.22 0.01 1.54 0.04 -1.94 0.55 116.94 128.14 2bl5 h PHE 18 Ca 0.15 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 2bl5 h PHE 18 Cb 1.01 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2bl5 h PHE 18 CO 1.26 0.66 -0.00 -0.39 -0.60 0.00 0.00 178.31 179.23 2bl5 h VAL 19 N 1.21 1.17 0.00 -0.55 -1.51 -1.88 0.68 116.25 115.38 2bl5 h VAL 19 Ca 0.42 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2bl5 h VAL 19 Cb 0.11 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2bl5 h VAL 19 CO -0.16 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 176.93 2bl5 n GLY 20 N -0.47 -1.01 0.13 5.19 0.00 -0.86 0.11 105.19 108.28 2bl5 n GLY 20 Ca -0.08 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2bl5 n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bl5 n ARG 21 N -2.06 0.72 -0.08 1.61 3.00 0.19 -4.06 116.66 115.98 2bl5 n ARG 21 Ca 0.01 0.32 -0.09 0.00 -0.00 0.00 0.00 57.85 58.09 2bl5 n ARG 21 Cb 0.13 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 30.84 2bl5 n ARG 21 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2bl5 n ILE 22 N -3.66 1.44 0.46 5.15 2.08 0.23 -4.66 119.36 120.39 2bl5 n ILE 22 Ca -0.32 0.16 0.08 0.00 0.56 0.00 0.00 62.75 63.22 2bl5 n ILE 22 Cb 0.98 -2.31 -0.10 0.00 -0.75 0.00 0.00 39.64 37.45 2bl5 n ILE 22 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2bl5 n LEU 23 N -4.57 0.46 0.00 1.39 -0.00 0.40 -3.81 117.00 110.86 2bl5 n LEU 23 Ca -0.13 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.57 2bl5 n LEU 23 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2bl5 n LEU 23 CO 0.12 0.11 0.20 0.61 -0.00 0.00 0.00 177.39 178.43 2bl5 n GLY 24 N 1.45 -2.88 0.07 1.47 0.00 0.12 -0.99 105.19 104.42 2bl5 n GLY 24 Ca 0.01 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.56 2bl5 n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bl5 n PRO 25 N -0.65 0.37 -0.76 1.61 -0.04 -1.26 -4.38 135.00 129.89 2bl5 n PRO 25 Ca 0.00 0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2bl5 n PRO 25 Cb 0.00 -1.69 0.19 0.00 -0.04 0.00 0.00 33.50 31.96 2bl5 n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bl5 n ARG 26 N -2.21 1.82 0.21 0.54 1.74 -1.24 -4.70 116.66 112.81 2bl5 n ARG 26 Ca 0.02 -3.39 0.12 0.00 -0.77 0.00 0.00 57.85 53.83 2bl5 n ARG 26 Cb 0.47 -1.70 0.64 0.00 -1.02 0.00 0.00 32.46 30.85 2bl5 n ARG 26 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2bl5 h GLY 27 N 1.12 0.00 -0.09 -0.13 0.00 -1.16 -1.77 103.07 101.04 2bl5 h GLY 27 Ca 0.05 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.61 2bl5 h GLY 27 CO 0.10 0.00 0.54 1.41 0.00 0.00 0.00 176.54 178.59 2bl5 h LEU 28 N 0.00 0.60 -0.70 3.11 -0.00 -1.84 -1.38 115.31 115.09 2bl5 h LEU 28 Ca 0.00 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2bl5 h LEU 28 Cb 0.23 0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 2bl5 h LEU 28 CO 0.00 0.11 0.35 0.00 -0.00 0.00 0.00 178.44 178.90 2bl5 h THR 29 N 0.57 1.23 -0.74 0.22 1.03 -1.65 -0.56 112.91 113.00 2bl5 h THR 29 Ca 0.60 -0.62 -0.03 0.00 -0.01 0.00 0.00 66.41 66.35 2bl5 h THR 29 Cb 1.10 0.35 -0.03 0.00 -1.07 0.00 0.00 68.15 68.49 2bl5 h THR 29 CO -0.47 0.26 0.36 0.00 -0.01 0.00 0.00 175.52 175.66 2bl5 h ALA 30 N 1.17 0.96 -0.74 0.00 0.00 -1.46 -1.07 119.26 118.13 2bl5 h ALA 30 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2bl5 h ALA 30 Cb 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2bl5 h ALA 30 CO -0.03 0.52 0.29 -0.22 0.00 0.00 0.00 179.25 179.81 2bl5 h LYS 31 N 1.04 1.10 -0.47 0.00 1.63 -1.13 -2.71 116.57 116.04 2bl5 h LYS 31 Ca 0.25 -0.20 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 2bl5 h LYS 31 Cb 0.12 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2bl5 h LYS 31 CO -0.03 0.91 -0.05 1.96 -3.45 0.00 0.00 179.45 178.78 2bl5 h GLN 32 N 1.06 0.81 -0.29 1.90 1.08 -0.33 -1.74 115.11 117.60 2bl5 h GLN 32 Ca 0.24 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2bl5 h GLN 32 Cb 0.22 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2bl5 h GLN 32 CO -0.02 0.85 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.56 2bl5 h LEU 33 N 0.74 0.57 -0.38 1.46 3.38 -0.92 0.99 115.31 121.15 2bl5 h LEU 33 Ca 0.14 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 2bl5 h LEU 33 Cb 0.53 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2bl5 h LEU 33 CO 0.03 0.80 -0.52 1.05 0.09 0.00 0.00 178.44 179.89 2bl5 h GLU 34 N 0.32 0.79 -0.49 1.13 4.11 -1.43 0.24 114.58 119.25 2bl5 h GLU 34 Ca 0.07 -0.48 -0.07 0.00 0.07 0.00 0.00 59.36 58.95 2bl5 h GLU 34 Cb 0.56 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2bl5 h GLU 34 CO 0.03 1.11 0.03 0.00 0.07 0.00 0.00 179.01 180.25 2bl5 h ALA 35 N 0.79 0.66 0.00 1.06 0.00 -1.19 -3.10 119.26 117.48 2bl5 h ALA 35 Ca 0.02 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2bl5 h ALA 35 Cb 1.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2bl5 h ALA 35 CO 0.11 0.44 -1.08 0.93 0.00 0.00 0.00 179.25 179.64 2bl5 h GLU 36 N 0.71 0.00 0.00 0.00 4.39 -0.73 -3.40 114.58 115.55 2bl5 h GLU 36 Ca 0.14 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 2bl5 h GLU 36 Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2bl5 h GLU 36 CO 0.02 0.87 -0.27 1.79 -1.16 0.00 0.00 179.01 180.25 2bl5 h THR 37 N -1.00 0.52 0.00 1.13 1.35 -0.68 -3.46 112.91 110.77 2bl5 h THR 37 Ca -0.28 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 2bl5 h THR 37 Cb 1.18 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2bl5 h THR 37 CO -0.17 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 2bl5 n GLY 38 N 0.76 0.75 3.95 5.82 0.00 -1.17 -4.55 105.19 110.75 2bl5 n GLY 38 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2bl5 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bl5 s LYS 40 N -5.39 1.12 -0.38 0.00 2.36 0.21 -3.99 119.74 113.67 2bl5 s LYS 40 Ca 0.66 -1.74 -0.29 0.00 -2.55 0.00 0.00 55.97 52.05 2bl5 s LYS 40 Cb -0.07 -2.24 0.02 0.00 -1.05 0.00 0.00 37.83 34.49 2bl5 s LYS 40 CO 0.47 -1.11 1.08 -1.50 1.55 0.00 0.00 175.35 175.83 2bl5 s ILE 41 N 0.72 4.42 -0.12 5.43 2.07 -1.26 -2.47 121.20 130.00 2bl5 s ILE 41 Ca 0.15 1.50 -0.00 0.00 -1.41 0.00 0.00 60.65 60.89 2bl5 s ILE 41 Cb -0.22 -4.47 -0.02 0.00 0.13 0.00 0.00 42.46 37.88 2bl5 s ILE 41 CO -0.06 -0.67 -0.11 0.00 -1.91 0.00 0.00 174.94 172.20 2bl5 s MET 42 N 3.90 3.25 0.10 3.50 0.23 0.12 -4.88 119.30 125.52 2bl5 s MET 42 Ca 0.45 -0.64 -0.30 0.00 -1.03 0.00 0.00 55.69 54.17 2bl5 s MET 42 Cb -0.10 -2.64 -0.06 0.00 -1.53 0.00 0.00 34.83 30.50 2bl5 s MET 42 CO 0.21 0.32 0.96 0.08 -2.03 0.00 0.00 175.02 174.56 2bl5 s VAL 43 N 0.08 4.54 0.31 5.16 1.01 -1.26 -1.24 120.40 129.00 2bl5 s VAL 43 Ca -0.04 2.06 0.06 0.00 0.00 0.00 0.00 61.98 64.06 2bl5 s VAL 43 Cb -0.14 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 2bl5 s VAL 43 CO 0.04 0.31 -0.02 -0.13 0.00 0.00 0.00 175.10 175.30 2bl5 s ARG 44 N 0.08 1.63 1.01 2.72 0.52 0.15 -4.74 118.95 120.32 2bl5 s ARG 44 Ca 0.47 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.82 2bl5 s ARG 44 Cb -0.23 -1.13 0.00 0.00 0.52 0.00 0.00 34.95 34.11 2bl5 s ARG 44 CO 0.30 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.99 2bl5 n GLY 45 N -0.66 -1.84 3.63 -3.53 0.00 -0.23 0.07 105.19 102.62 2bl5 n GLY 45 Ca -0.04 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2bl5 n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bl5 s LYS 46 N 0.00 3.67 0.00 1.61 2.47 -1.21 -3.29 119.74 122.98 2bl5 s LYS 46 Ca 0.00 1.87 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 2bl5 s LYS 46 Cb 0.00 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.23 2bl5 s LYS 46 CO 0.00 -1.47 0.00 0.41 0.16 0.00 0.00 175.35 174.45 2bl5 n GLY 47 N 4.95 1.56 0.00 5.54 0.00 -1.26 -4.69 105.19 111.28 2bl5 n GLY 47 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 2bl5 n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bl5 n SER 48 N 0.00 0.00 -0.05 1.61 2.88 -1.21 -4.08 113.62 112.78 2bl5 n SER 48 Ca 0.00 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.57 2bl5 n SER 48 Cb 0.00 -0.28 -0.04 0.00 -0.75 0.00 0.00 64.21 63.14 2bl5 n SER 48 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2bl5 n MET 49 N -1.28 0.23 -0.02 -1.46 3.85 -1.26 -4.71 117.12 112.46 2bl5 n MET 49 Ca 0.05 0.08 -0.00 0.00 -1.00 0.00 0.00 57.70 56.83 2bl5 n MET 49 Cb 0.08 -0.99 0.01 0.00 -1.05 0.00 0.00 33.22 31.27 2bl5 n MET 49 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2bl5 n ARG 50 N -3.21 1.05 -1.97 3.17 0.00 -1.26 -3.75 116.66 110.69 2bl5 n ARG 50 Ca -0.19 -0.07 -0.41 0.00 -0.00 0.00 0.00 57.85 57.19 2bl5 n ARG 50 Cb 0.66 -1.24 -0.01 0.00 -0.00 0.00 0.00 32.46 31.87 2bl5 n ARG 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2bl5 s ASP 51 N 0.53 6.58 0.24 2.89 1.11 -1.26 -4.75 116.67 122.02 2bl5 s ASP 51 Ca 0.01 2.85 -0.04 0.00 0.18 0.00 0.00 52.55 55.55 2bl5 s ASP 51 Cb 0.01 -2.66 0.44 0.00 1.07 0.00 0.00 42.92 41.78 2bl5 s ASP 51 CO 0.00 -0.69 1.76 0.11 1.18 0.00 0.00 175.17 177.53 2bl5 h LYS 52 N 3.27 0.55 -0.37 8.23 1.57 -1.99 0.11 116.57 127.93 2bl5 h LYS 52 Ca -0.50 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.18 2bl5 h LYS 52 Cb 1.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2bl5 h LYS 52 CO 0.65 0.36 -0.03 1.57 -0.57 0.00 0.00 179.45 181.43 2bl5 h LYS 53 N 0.57 0.68 0.20 3.15 2.10 -1.94 -2.80 116.57 118.53 2bl5 h LYS 53 Ca 0.41 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 2bl5 h LYS 53 Cb 0.54 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2bl5 h LYS 53 CO -0.34 0.80 -0.10 0.87 -2.00 0.00 0.00 179.45 178.68 2bl5 h LYS 54 N 0.49 -0.26 -0.03 0.07 1.57 -1.15 -1.59 116.57 115.67 2bl5 h LYS 54 Ca 0.10 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2bl5 h LYS 54 Cb 0.52 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2bl5 h LYS 54 CO 0.03 0.05 0.05 1.05 -0.57 0.00 0.00 179.45 180.06 2bl5 h GLU 55 N -0.58 0.00 0.00 3.15 4.11 -1.04 1.11 114.58 121.33 2bl5 h GLU 55 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2bl5 h GLU 55 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2bl5 h GLU 55 CO 0.05 0.00 -0.15 0.93 0.07 0.00 0.00 179.01 179.90 2bl5 h GLU 56 N 0.00 0.00 0.00 1.06 4.39 -1.28 -3.39 114.58 115.36 2bl5 h GLU 56 Ca 0.02 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.46 2bl5 h GLU 56 Cb 0.11 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2bl5 h GLU 56 CO -0.00 0.22 -1.95 0.00 -1.16 0.00 0.00 179.01 176.12 2bl5 n GLN 57 N -4.71 0.40 -0.25 2.33 10.64 -0.62 -4.43 117.38 120.75 2bl5 n GLN 57 Ca -0.05 0.11 0.03 0.00 -1.83 0.00 0.00 57.00 55.26 2bl5 n GLN 57 Cb 0.16 -1.28 0.13 0.00 -0.86 0.00 0.00 30.24 28.39 2bl5 n GLN 57 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2bl5 n ASN 58 N -3.16 2.24 -4.76 2.61 5.03 0.89 -4.90 115.26 113.20 2bl5 n ASN 58 Ca -0.30 -2.23 -0.39 0.00 0.87 0.00 0.00 54.58 52.53 2bl5 n ASN 58 Cb 0.80 -0.45 0.02 0.00 -1.02 0.00 0.00 39.78 39.12 2bl5 n ASN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2bl5 s ARG 59 N -1.61 3.57 0.00 3.52 1.70 0.35 -2.35 118.95 124.12 2bl5 s ARG 59 Ca 0.18 2.27 0.00 0.00 -0.47 0.00 0.00 55.73 57.71 2bl5 s ARG 59 Cb 0.12 -2.53 0.00 0.00 -0.57 0.00 0.00 34.95 31.98 2bl5 s ARG 59 CO 0.07 -0.86 0.00 0.41 -1.08 0.00 0.00 175.30 173.84 2bl5 n GLY 60 N 0.63 1.40 3.94 3.88 0.00 -1.26 -5.01 105.19 108.77 2bl5 n GLY 60 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2bl5 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bl5 s LYS 61 N -0.05 2.35 0.10 1.61 -0.14 -0.99 -4.54 119.74 118.07 2bl5 s LYS 61 Ca 0.00 -0.36 0.08 0.00 -1.36 0.00 0.00 55.97 54.33 2bl5 s LYS 61 Cb 0.00 -2.26 0.33 0.00 -1.68 0.00 0.00 37.83 34.22 2bl5 s LYS 61 CO 0.00 -1.06 0.33 -2.30 -0.76 0.00 0.00 175.35 171.56 2bl5 n PRO 62 N -2.75 -0.01 0.05 -1.68 -0.02 -1.26 0.12 135.00 129.46 2bl5 n PRO 62 Ca 0.08 0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.78 2bl5 n PRO 62 Cb 0.60 -0.52 0.20 0.00 -0.02 0.00 0.00 33.50 33.76 2bl5 n PRO 62 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2bl5 h ASN 63 N 0.00 0.40 0.87 2.55 2.35 -1.90 0.28 115.58 120.13 2bl5 h ASN 63 Ca 0.19 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2bl5 h ASN 63 Cb 0.65 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2bl5 h ASN 63 CO -0.07 0.72 -0.85 -0.50 -1.65 0.00 0.00 177.43 175.08 2bl5 h TRP 64 N 0.33 0.00 0.14 1.19 4.06 0.65 -1.04 115.95 121.28 2bl5 h TRP 64 Ca 0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 2bl5 h TRP 64 Cb 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 2bl5 h TRP 64 CO 0.02 0.00 -0.07 1.49 -3.56 0.00 0.00 178.44 176.32 2bl5 h GLU 65 N 0.00 -0.18 -0.09 0.49 4.81 -0.70 -3.21 114.58 115.69 2bl5 h GLU 65 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2bl5 h GLU 65 Cb 0.86 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2bl5 h GLU 65 CO 0.00 0.20 0.00 -2.39 -0.73 0.00 0.00 179.01 176.09 2bl5 n HIS 66 N -4.99 0.11 0.34 0.92 1.44 0.86 -3.79 115.22 110.10 2bl5 n HIS 66 Ca -0.09 -0.05 0.20 0.00 -2.01 0.00 0.00 57.72 55.77 2bl5 n HIS 66 Cb 0.24 0.00 1.08 0.00 0.12 0.00 0.00 29.99 31.44 2bl5 n HIS 66 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2bl5 h LEU 67 N 2.85 0.00 -0.86 2.39 5.85 -1.18 -0.18 115.31 124.18 2bl5 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bl5 h LEU 67 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2bl5 h LEU 67 CO 0.00 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.69 2bl5 n ASN 68 N -3.03 1.27 -4.89 1.25 3.02 -1.25 -4.30 115.26 107.33 2bl5 n ASN 68 Ca -0.03 -1.81 -0.22 0.00 -0.03 0.00 0.00 54.58 52.48 2bl5 n ASN 68 Cb 0.18 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 2bl5 n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2bl5 s GLU 69 N -1.76 2.41 0.28 3.52 2.02 -0.34 -5.06 118.70 119.77 2bl5 s GLU 69 Ca 0.24 -1.71 -0.25 0.00 0.02 0.00 0.00 54.97 53.27 2bl5 s GLU 69 Cb 0.12 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 31.96 2bl5 s GLU 69 CO 0.18 -0.38 0.88 0.34 0.02 0.00 0.00 175.26 176.30 2bl5 s ASP 70 N -4.21 7.29 -0.11 -0.19 -1.08 -1.26 -3.36 116.67 113.75 2bl5 s ASP 70 Ca 0.45 1.73 -0.35 0.00 -0.52 0.00 0.00 52.55 53.86 2bl5 s ASP 70 Cb -0.03 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 38.78 2bl5 s ASP 70 CO 0.27 -0.01 1.87 -0.11 0.52 0.00 0.00 175.17 177.70 2bl5 n LEU 71 N 0.71 3.34 -3.83 -1.34 7.94 -1.26 -3.98 117.00 118.58 2bl5 n LEU 71 Ca 0.00 0.98 -0.09 0.00 -1.11 0.00 0.00 56.01 55.79 2bl5 n LEU 71 Cb 0.50 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 43.04 2bl5 n LEU 71 CO 0.44 -0.09 0.03 -1.38 -1.11 0.00 0.00 177.39 175.28 2bl5 s HIS 72 N 3.99 0.13 -0.08 1.96 -3.43 0.11 -1.82 115.29 116.15 2bl5 s HIS 72 Ca 0.93 -0.50 -0.04 0.00 -0.80 0.00 0.00 55.06 54.65 2bl5 s HIS 72 Cb -0.73 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.45 2bl5 s HIS 72 CO 0.53 -0.68 0.08 0.14 -2.00 0.00 0.00 174.74 172.81 2bl5 s VAL 73 N -3.89 4.92 -0.15 -5.38 -7.23 -0.90 0.35 120.40 108.12 2bl5 s VAL 73 Ca 0.09 -0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 2bl5 s VAL 73 Cb 0.03 -3.15 0.05 0.00 0.56 0.00 0.00 36.38 33.87 2bl5 s VAL 73 CO -0.07 0.55 0.02 -0.22 -0.31 0.00 0.00 175.10 175.08 2bl5 s LEU 74 N -1.15 0.95 -0.50 1.32 0.20 -0.37 -0.27 118.68 118.86 2bl5 s LEU 74 Ca 0.16 -0.56 -0.26 0.00 0.69 0.00 0.00 54.13 54.16 2bl5 s LEU 74 Cb -0.12 -0.54 0.03 0.00 -0.43 0.00 0.00 46.19 45.14 2bl5 s LEU 74 CO 0.06 -0.27 0.99 0.27 -0.29 0.00 0.00 176.35 177.11 2bl5 s ILE 75 N 1.90 4.36 -0.42 6.68 -4.36 -0.68 0.14 121.20 128.82 2bl5 s ILE 75 Ca 0.01 0.72 -0.14 0.00 -0.26 0.00 0.00 60.65 60.99 2bl5 s ILE 75 Cb -0.15 -4.52 0.04 0.00 1.25 0.00 0.00 42.46 39.08 2bl5 s ILE 75 CO -0.07 -0.99 0.29 -0.89 0.24 0.00 0.00 174.94 173.53 2bl5 s THR 76 N 4.04 5.00 -0.13 8.37 2.01 -1.03 -1.58 115.64 132.32 2bl5 s THR 76 Ca 0.38 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.53 2bl5 s THR 76 Cb -0.10 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.56 2bl5 s THR 76 CO 0.25 -0.37 -0.18 0.54 -0.69 0.00 0.00 174.62 174.18 2bl5 s VAL 77 N 1.62 2.53 -0.89 3.82 0.11 0.25 0.66 120.40 128.50 2bl5 s VAL 77 Ca 0.04 -0.83 -0.25 0.00 -2.93 0.00 0.00 61.98 58.01 2bl5 s VAL 77 Cb -0.20 -2.04 0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2bl5 s VAL 77 CO 0.08 0.53 1.48 -1.61 -3.33 0.00 0.00 175.10 172.25 2bl5 s GLU 78 N 0.61 3.28 0.06 1.54 2.02 -1.26 0.01 118.70 124.96 2bl5 s GLU 78 Ca -0.10 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 2bl5 s GLU 78 Cb -0.16 -4.90 -0.09 0.00 0.10 0.00 0.00 34.13 29.09 2bl5 s GLU 78 CO 0.03 -2.36 1.80 0.16 0.02 0.00 0.00 175.26 174.91 2bl5 s ASP 79 N 5.18 6.51 -0.26 -0.19 -4.77 -1.26 -4.87 116.67 117.00 2bl5 s ASP 79 Ca 0.47 2.60 -0.01 0.00 -3.30 0.00 0.00 52.55 52.31 2bl5 s ASP 79 Cb -0.04 -2.55 -0.16 0.00 -1.09 0.00 0.00 42.92 39.07 2bl5 s ASP 79 CO 0.01 -0.98 -0.23 0.00 0.70 0.00 0.00 175.17 174.67 2bl5 n ALA 80 N 6.37 1.39 -3.79 2.11 0.00 -1.26 -4.96 120.51 120.36 2bl5 n ALA 80 Ca 0.18 -1.09 -0.02 0.00 0.00 0.00 0.00 53.44 52.51 2bl5 n ALA 80 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2bl5 n ALA 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2bl5 s GLN 81 N -2.52 1.00 0.32 0.00 0.74 -1.26 -5.03 119.66 112.92 2bl5 s GLN 81 Ca -0.35 -0.60 0.05 0.00 0.05 0.00 0.00 55.36 54.50 2bl5 s GLN 81 Cb 0.10 0.31 0.67 0.00 1.10 0.00 0.00 33.01 35.19 2bl5 s GLN 81 CO 0.59 -0.47 1.87 -0.91 -0.55 0.00 0.00 175.29 175.82 2bl5 h ASN 82 N 2.00 0.80 -0.68 6.67 4.21 -1.99 -0.65 115.58 125.93 2bl5 h ASN 82 Ca -0.26 0.03 0.10 0.00 1.21 0.00 0.00 56.30 57.38 2bl5 h ASN 82 Cb 1.22 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 38.25 2bl5 h ASN 82 CO 0.30 0.44 0.45 0.03 -1.29 0.00 0.00 177.43 177.36 2bl5 h ARG 83 N 0.86 0.52 0.42 0.81 -0.00 -1.98 0.35 114.38 115.37 2bl5 h ARG 83 Ca 0.45 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.87 2bl5 h ARG 83 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.37 2bl5 h ARG 83 CO -0.21 0.34 -0.20 0.00 0.00 0.00 0.00 179.97 179.90 2bl5 h ALA 84 N 1.66 -0.89 -0.30 0.04 0.00 -1.42 -2.59 119.26 115.76 2bl5 h ALA 84 Ca 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bl5 h ALA 84 Cb 0.50 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2bl5 h ALA 84 CO -0.10 -0.85 0.17 1.05 0.00 0.00 0.00 179.25 179.52 2bl5 h GLU 85 N -0.71 0.41 -0.81 0.00 4.11 -1.34 -1.26 114.58 114.98 2bl5 h GLU 85 Ca -0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2bl5 h GLU 85 Cb 0.43 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2bl5 h GLU 85 CO 0.09 0.29 0.42 1.25 0.07 0.00 0.00 179.01 181.14 2bl5 h LEU 86 N 0.41 1.03 -0.18 3.06 5.85 -0.35 0.18 115.31 125.32 2bl5 h LEU 86 Ca 0.11 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2bl5 h LEU 86 Cb -0.00 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 2bl5 h LEU 86 CO -0.02 0.86 -0.21 0.50 -0.34 0.00 0.00 178.44 179.23 2bl5 h LYS 87 N 1.14 0.46 -0.13 1.25 3.64 -0.82 -2.58 116.57 119.52 2bl5 h LYS 87 Ca 0.28 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 2bl5 h LYS 87 Cb 0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2bl5 h LYS 87 CO -0.04 0.83 -0.58 1.37 -2.27 0.00 0.00 179.45 178.76 2bl5 h LEU 88 N 0.11 0.48 -0.92 5.20 8.10 -1.34 -2.74 115.31 124.20 2bl5 h LEU 88 Ca 0.02 -0.26 -0.10 0.00 0.11 0.00 0.00 57.88 57.65 2bl5 h LEU 88 Cb 0.76 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 2bl5 h LEU 88 CO 0.05 0.95 -0.24 0.07 -4.11 0.00 0.00 178.44 175.16 2bl5 h LYS 89 N 0.32 0.52 -0.29 0.17 5.09 -0.63 0.35 116.57 122.10 2bl5 h LYS 89 Ca -0.00 -0.19 -0.16 0.00 0.09 0.00 0.00 60.65 60.39 2bl5 h LYS 89 Cb 1.11 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.40 2bl5 h LYS 89 CO 0.10 0.72 -0.46 0.07 -2.09 0.00 0.00 179.45 177.79 2bl5 h ARG 90 N 0.46 0.76 -0.35 0.07 -0.00 -1.42 0.32 114.38 114.23 2bl5 h ARG 90 Ca 0.07 -0.44 -0.11 0.00 -0.00 0.00 0.00 59.98 59.50 2bl5 h ARG 90 Cb 0.66 0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.66 2bl5 h ARG 90 CO 0.05 1.06 -0.22 0.00 -0.00 0.00 0.00 179.97 180.86 2bl5 h ALA 91 N 0.87 0.50 0.00 0.08 0.00 -1.14 -2.56 119.26 117.00 2bl5 h ALA 91 Ca 0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2bl5 h ALA 91 Cb 1.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2bl5 h ALA 91 CO 0.10 0.46 -0.28 -0.24 0.00 0.00 0.00 179.25 179.29 2bl5 h VAL 92 N 0.54 0.87 -0.20 0.00 3.04 -0.27 -1.72 116.25 118.51 2bl5 h VAL 92 Ca 0.07 -1.12 -0.05 0.00 -1.01 0.00 0.00 66.70 64.59 2bl5 h VAL 92 Cb 0.77 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 2bl5 h VAL 92 CO 0.06 0.28 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.45 2bl5 h GLU 93 N 0.00 0.32 -0.64 4.17 4.39 -0.55 0.26 114.58 122.53 2bl5 h GLU 93 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2bl5 h GLU 93 Cb 0.65 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2bl5 h GLU 93 CO 0.04 0.44 0.40 0.93 -1.16 0.00 0.00 179.01 179.65 2bl5 h GLU 94 N 0.30 0.85 -0.83 2.33 4.39 -0.93 -1.48 114.58 119.20 2bl5 h GLU 94 Ca 0.06 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2bl5 h GLU 94 Cb 0.39 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2bl5 h GLU 94 CO 0.02 0.59 0.48 0.28 -1.16 0.00 0.00 179.01 179.23 2bl5 h VAL 95 N 0.86 1.23 -0.22 3.13 2.07 -1.03 -2.19 116.25 120.11 2bl5 h VAL 95 Ca 0.23 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2bl5 h VAL 95 Cb -0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2bl5 h VAL 95 CO -0.05 0.25 0.16 0.11 0.02 0.00 0.00 177.57 178.07 2bl5 h LYS 96 N 1.15 0.00 0.02 1.57 1.57 0.49 1.08 116.57 122.44 2bl5 h LYS 96 Ca 0.30 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.87 2bl5 h LYS 96 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2bl5 h LYS 96 CO -0.05 0.00 -0.93 -0.22 -0.57 0.00 0.00 179.45 177.67 2bl5 h LYS 97 N 0.00 0.12 0.22 3.15 1.63 -0.82 -3.34 116.57 117.54 2bl5 h LYS 97 Ca 0.11 -0.16 -0.32 0.00 -0.85 0.00 0.00 60.65 59.43 2bl5 h LYS 97 Cb 0.43 0.05 0.03 0.00 -0.60 0.00 0.00 32.23 32.14 2bl5 h LYS 97 CO -0.00 0.97 -1.42 -0.07 -3.45 0.00 0.00 179.45 175.47 2bl5 h LEU 98 N 0.06 0.77 0.00 5.20 4.07 -0.19 -3.28 115.31 121.94 2bl5 h LEU 98 Ca -0.04 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 57.10 2bl5 h LEU 98 Cb 1.60 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.09 2bl5 h LEU 98 CO 0.14 1.64 0.00 0.00 -1.08 0.00 0.00 178.44 179.13 2bl5 n LEU 99 N -3.69 0.00 -4.69 1.67 -0.00 0.34 -4.70 117.00 105.94 2bl5 n LEU 99 Ca -0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.44 2bl5 n LEU 99 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.48 2bl5 n LEU 99 CO 0.59 0.00 0.93 -0.69 -0.00 0.00 0.00 177.39 178.22 2bl5 s VAL 100 N -2.00 4.36 -0.61 1.47 1.01 -1.24 -4.90 120.40 118.49 2bl5 s VAL 100 Ca 0.04 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2bl5 s VAL 100 Cb 0.02 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2bl5 s VAL 100 CO 0.03 -0.01 0.38 -0.81 0.00 0.00 0.00 175.10 174.70 2bl5 n PRO 101 N 5.23 0.55 -1.52 2.72 -0.04 -1.26 -4.82 135.00 135.86 2bl5 n PRO 101 Ca 0.11 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.16 2bl5 n PRO 101 Cb 0.47 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2bl5 n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bl5 n ALA 102 N 0.42 0.76 0.25 0.55 0.00 -1.26 -4.77 120.51 116.46 2bl5 n ALA 102 Ca 0.00 -0.56 0.12 0.00 0.00 0.00 0.00 53.44 53.00 2bl5 n ALA 102 Cb 0.19 -2.82 0.10 0.00 0.00 0.00 0.00 19.45 16.92 2bl5 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bl5 h ALA 103 N 16.01 0.69 -3.58 0.00 0.00 -2.01 -3.48 119.26 126.89 2bl5 h ALA 103 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2bl5 h ALA 103 Cb 1.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2bl5 h ALA 103 CO 1.18 0.00 -0.14 -0.85 0.00 0.00 0.00 179.25 179.45 2bl5 n GLU 104 N -2.68 0.18 -1.68 0.00 0.28 -1.26 -5.10 120.64 110.37 2bl5 n GLU 104 Ca 0.02 -0.97 -0.49 0.00 -0.16 0.00 0.00 57.16 55.56 2bl5 n GLU 104 Cb 0.52 0.78 -0.05 0.00 1.43 0.00 0.00 31.44 34.12 2bl5 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2bl5 n GLY 105 N -0.06 1.41 3.65 -1.84 0.00 -1.26 -4.84 105.19 102.25 2bl5 n GLY 105 Ca 0.02 0.87 -0.46 0.00 0.00 0.00 0.00 46.02 46.45 2bl5 n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bl5 n GLU 106 N 6.55 1.87 0.29 1.61 1.02 -1.26 -4.85 120.64 125.86 2bl5 n GLU 106 Ca 0.23 0.67 0.17 0.00 -0.02 0.00 0.00 57.16 58.21 2bl5 n GLU 106 Cb 0.28 -2.32 0.84 0.00 -0.02 0.00 0.00 31.44 30.22 2bl5 n GLU 106 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2bl5 h ASP 107 N 4.40 0.00 0.14 1.62 2.03 -2.01 -1.08 116.42 121.52 2bl5 h ASP 107 Ca -0.45 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.81 2bl5 h ASP 107 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 2bl5 h ASP 107 CO 0.77 0.05 -0.16 -1.28 -1.03 0.00 0.00 179.24 177.59 2bl5 h SER 108 N 0.00 0.05 -0.33 4.15 0.87 -1.98 0.12 113.55 116.43 2bl5 h SER 108 Ca -0.00 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 2bl5 h SER 108 Cb 0.33 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2bl5 h SER 108 CO 0.01 0.21 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.39 2bl5 h LEU 109 N 0.05 0.72 0.05 2.23 3.38 -1.55 -0.54 115.31 119.65 2bl5 h LEU 109 Ca 0.01 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 2bl5 h LEU 109 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2bl5 h LEU 109 CO 0.02 0.82 -1.07 0.11 0.09 0.00 0.00 178.44 178.42 2bl5 h LYS 110 N 0.68 0.12 -0.57 1.13 1.57 -1.53 -3.24 116.57 114.72 2bl5 h LYS 110 Ca 0.13 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2bl5 h LYS 110 Cb 0.51 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2bl5 h LYS 110 CO 0.03 1.09 0.21 -0.22 -0.57 0.00 0.00 179.45 180.00 2bl5 h LYS 111 N -0.67 0.84 0.00 3.15 1.63 -0.77 -1.08 116.57 119.67 2bl5 h LYS 111 Ca -0.25 -0.13 -0.11 0.00 -0.85 0.00 0.00 60.65 59.30 2bl5 h LYS 111 Cb 1.46 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.93 2bl5 h LYS 111 CO -0.04 0.70 -0.54 0.52 -3.45 0.00 0.00 179.45 176.64 2bl5 h MET 112 N 0.82 0.00 -0.16 1.90 2.86 -1.26 0.17 114.93 119.26 2bl5 h MET 112 Ca 0.19 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.69 2bl5 h MET 112 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2bl5 h MET 112 CO -0.02 0.54 -0.51 -0.22 1.06 0.00 0.00 176.91 177.77 2bl5 h LYS 113 N 0.00 0.44 0.00 1.72 3.11 -1.27 0.37 116.57 120.95 2bl5 h LYS 113 Ca -0.01 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2bl5 h LYS 113 Cb 0.96 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2bl5 h LYS 113 CO 0.07 0.85 -0.03 -0.07 -2.81 0.00 0.00 179.45 177.46 2bl5 h LEU 114 N 0.35 0.00 0.02 5.20 3.38 -0.94 -3.38 115.31 119.94 2bl5 h LEU 114 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 2bl5 h LEU 114 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2bl5 h LEU 114 CO 0.09 0.41 -1.87 0.80 0.09 0.00 0.00 178.44 177.96 2bl5 n MET 115 N -4.20 0.62 0.13 1.13 1.56 0.56 -2.96 117.12 113.96 2bl5 n MET 115 Ca -0.00 0.39 0.13 0.00 -0.27 0.00 0.00 57.70 57.94 2bl5 n MET 115 Cb 0.02 -1.65 0.48 0.00 2.15 0.00 0.00 33.22 34.21 2bl5 n MET 115 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2bl5 h GLU 116 N -0.69 0.00 0.40 2.12 4.39 -1.41 -3.19 114.58 116.20 2bl5 h GLU 116 Ca -0.48 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 2bl5 h GLU 116 Cb 1.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2bl5 h GLU 116 CO -0.20 0.00 -0.19 1.25 -1.16 0.00 0.00 179.01 178.71 2bl5 h LEU 117 N 0.00 -0.46 0.00 1.33 7.12 -0.44 -3.48 115.31 119.38 2bl5 h LEU 117 Ca 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.94 2bl5 h LEU 117 Cb 0.49 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 2bl5 h LEU 117 CO 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 178.44 178.29 2bl5 n ALA 118 N -2.68 0.00 0.00 1.25 0.00 -1.20 -5.02 120.51 112.86 2bl5 n ALA 118 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bl5 n ALA 118 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2bl5 n ALA 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2bl5 n ILE 119 N 0.00 0.00 -2.24 0.00 5.41 -1.15 -4.72 119.36 116.65 2bl5 n ILE 119 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2bl5 n ILE 119 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2bl5 n ILE 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2bl5 n LEU 120 N 0.00 -5.05 0.00 1.39 -0.00 -1.26 -5.04 117.00 107.04 2bl5 n LEU 120 Ca 0.00 2.49 0.00 0.00 -0.00 0.00 0.00 56.01 58.50 2bl5 n LEU 120 Cb 0.00 -2.85 0.00 0.00 -0.00 0.00 0.00 43.42 40.57 2bl5 n LEU 120 CO 0.00 -2.48 0.00 -0.46 -0.00 0.00 0.00 177.39 174.45 2bl5 n ASN 121 N 1.89 0.00 0.34 1.96 0.23 -1.26 -5.02 115.26 113.40 2bl5 n ASN 121 Ca 0.00 -0.46 0.22 0.00 -0.53 0.00 0.00 54.58 53.81 2bl5 n ASN 121 Cb 0.00 0.00 1.16 0.00 -2.08 0.00 0.00 39.78 38.86 2bl5 n ASN 121 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2bl5 h GLY 122 N 0.00 0.00 0.81 4.83 0.00 -2.01 -2.85 103.07 103.85 2bl5 h GLY 122 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2bl5 h GLY 122 CO 0.00 0.00 -0.36 -0.84 0.00 0.00 0.00 176.54 175.34 2bl5 h THR 123 N 0.00 0.10 -3.17 4.70 2.02 -2.01 -3.42 112.91 111.13 2bl5 h THR 123 Ca 0.00 -0.23 -0.58 0.00 0.77 0.00 0.00 66.41 66.37 2bl5 h THR 123 Cb 0.10 0.12 -0.40 0.00 -1.74 0.00 0.00 68.15 66.23 2bl5 h THR 123 CO -0.00 0.01 -0.76 -0.31 0.37 0.00 0.00 175.52 174.83 2bl5 s TYR 124 N -5.11 1.71 -0.90 3.16 2.02 -1.07 -4.89 117.35 112.26 2bl5 s TYR 124 Ca -0.16 -1.71 0.26 0.00 -0.37 0.00 0.00 57.07 55.10 2bl5 s TYR 124 Cb 0.02 -1.69 0.76 0.00 -0.40 0.00 0.00 41.96 40.64 2bl5 s TYR 124 CO 0.49 -0.86 1.61 0.54 -1.57 0.00 0.00 175.55 175.76 2bl5 n ARG 125 N 4.85 0.08 -0.06 -0.62 1.74 -1.25 -4.09 116.66 117.31 2bl5 n ARG 125 Ca -0.02 0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 2bl5 n ARG 125 Cb 0.42 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 2bl5 n ARG 125 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2bl5 h ASP 126 N 0.00 -1.50 0.02 0.55 5.19 -1.92 -0.45 116.42 118.31 2bl5 h ASP 126 Ca 0.00 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2bl5 h ASP 126 Cb 0.57 0.62 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2bl5 h ASP 126 CO 0.00 -0.42 0.00 0.00 -3.12 0.00 0.00 179.24 175.70 2bl5 n ALA 127 N -3.01 2.51 -0.02 3.45 0.00 -1.26 -0.53 120.51 121.65 2bl5 n ALA 127 Ca -0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 2bl5 n ALA 127 Cb 0.36 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 2bl5 n ALA 127 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2bl5 h ASN 128 N 0.00 0.26 1.07 0.00 -1.24 -1.32 -3.37 115.58 110.97 2bl5 h ASN 128 Ca 0.00 -0.83 -0.10 0.00 0.71 0.00 0.00 56.30 56.08 2bl5 h ASN 128 Cb 0.01 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2bl5 h ASN 128 CO 0.00 1.46 -0.98 -0.07 -1.29 0.00 0.00 177.43 176.55 2bl5 h LEU 129 N -0.56 0.00 -8.61 0.34 -0.00 -1.24 -3.44 115.31 101.80 2bl5 h LEU 129 Ca -0.24 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.10 2bl5 h LEU 129 Cb 1.53 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.14 2bl5 h LEU 129 CO 0.01 0.36 1.16 -0.75 -0.00 0.00 0.00 178.44 179.23 2bl5 s LYS 130 N -3.07 3.19 0.15 1.13 2.20 0.31 -4.99 119.74 118.67 2bl5 s LYS 130 Ca 0.00 0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 56.03 2bl5 s LYS 130 Cb 0.08 -4.18 -0.07 0.00 -1.51 0.00 0.00 37.83 32.15 2bl5 s LYS 130 CO 0.78 -2.06 0.63 0.45 -0.36 0.00 0.00 175.35 174.79 2bl5 s SER 131 N 5.24 7.02 0.00 1.43 0.15 -1.26 -4.82 113.70 121.46 2bl5 s SER 131 Ca 0.58 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2bl5 s SER 131 Cb -0.13 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2bl5 s SER 131 CO 0.25 0.14 0.31 -2.65 1.20 0.00 0.00 173.24 172.49 2bl5 n PRO 132 N 1.10 0.50 -1.04 5.44 -0.02 -1.26 -2.21 135.00 137.51 2bl5 n PRO 132 Ca -0.06 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.43 2bl5 n PRO 132 Cb 0.51 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 2bl5 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bl5 n ALA 133 N 0.37 2.41 -2.46 3.55 0.00 -1.26 -5.02 120.51 118.09 2bl5 n ALA 133 Ca 0.00 -1.51 -0.38 0.00 0.00 0.00 0.00 53.44 51.55 2bl5 n ALA 133 Cb 0.15 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 2bl5 n ALA 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bl5 s LEU 134 N 0.00 3.45 0.00 0.00 1.43 -0.94 -5.26 118.68 117.36 2bl5 s LEU 134 Ca 0.16 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 2bl5 s LEU 134 Cb 0.18 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2bl5 s LEU 134 CO -0.08 -1.75 0.00 1.57 0.23 0.00 0.00 176.35 176.32