#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 3.66 -0.08 2.61 0.05 -0.76 -4.96 118.68 119.20 2bl5 s LEU 2 Ca 0.00 0.10 0.05 0.00 0.05 0.00 0.00 54.13 54.32 2bl5 s LEU 2 Cb 0.00 -1.88 -0.01 0.00 -2.05 0.00 0.00 46.19 42.25 2bl5 s LEU 2 CO 0.00 0.27 -0.23 -1.10 -0.55 0.00 0.00 176.35 174.75 2bl5 s GLN 3 N -0.25 2.81 -0.19 1.48 -0.21 -1.26 -1.69 119.66 120.35 2bl5 s GLN 3 Ca 0.07 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 54.58 2bl5 s GLN 3 Cb -0.12 -2.27 0.01 0.00 1.00 0.00 0.00 33.01 31.63 2bl5 s GLN 3 CO 0.02 0.31 -0.16 -1.21 -2.12 0.00 0.00 175.29 172.12 2bl5 s GLU 4 N 0.04 3.06 -0.25 2.91 2.02 -0.70 -4.97 118.70 120.81 2bl5 s GLU 4 Ca -0.09 -0.80 -0.08 0.00 0.02 0.00 0.00 54.97 54.02 2bl5 s GLU 4 Cb -0.15 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 2bl5 s GLU 4 CO 0.06 -0.22 0.10 0.15 0.02 0.00 0.00 175.26 175.37 2bl5 s LYS 5 N 1.33 3.77 -0.46 1.61 3.01 -1.26 -1.32 119.74 126.42 2bl5 s LYS 5 Ca 0.05 -0.42 -0.06 0.00 -1.01 0.00 0.00 55.97 54.53 2bl5 s LYS 5 Cb -0.13 -3.41 0.12 0.00 -1.01 0.00 0.00 37.83 33.39 2bl5 s LYS 5 CO -0.10 -0.15 0.29 -0.51 0.51 0.00 0.00 175.35 175.39 2bl5 s LEU 6 N 1.55 5.48 0.43 3.17 1.43 0.15 -4.96 118.68 125.93 2bl5 s LEU 6 Ca 0.06 -2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 50.87 2bl5 s LEU 6 Cb -0.15 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 2bl5 s LEU 6 CO 0.06 -0.60 1.15 -0.31 0.23 0.00 0.00 176.35 176.87 2bl5 s TYR 7 N 1.13 3.01 -0.20 0.29 1.51 -1.26 -1.46 117.35 120.37 2bl5 s TYR 7 Ca 0.08 1.56 -0.04 0.00 -1.01 0.00 0.00 57.07 57.66 2bl5 s TYR 7 Cb -0.24 -3.34 0.09 0.00 -0.11 0.00 0.00 41.96 38.36 2bl5 s TYR 7 CO -0.03 -1.29 0.23 0.54 -1.11 0.00 0.00 175.55 173.89 2bl5 s VAL 8 N -1.52 -0.34 -0.67 0.71 0.11 -1.05 -4.91 120.40 112.74 2bl5 s VAL 8 Ca 0.60 -0.08 -0.27 0.00 -2.93 0.00 0.00 61.98 59.31 2bl5 s VAL 8 Cb -0.28 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 2bl5 s VAL 8 CO 0.35 -0.17 1.52 -2.16 -3.33 0.00 0.00 175.10 171.30 2bl5 s PRO 9 N 2.34 2.99 0.43 1.54 0.04 -1.26 -4.44 135.00 136.63 2bl5 s PRO 9 Ca 0.07 0.17 0.23 0.00 0.04 0.00 0.00 61.00 61.51 2bl5 s PRO 9 Cb -0.15 -4.25 0.86 0.00 0.04 0.00 0.00 34.50 30.99 2bl5 s PRO 9 CO -0.12 -2.35 1.80 -0.24 0.04 0.00 0.00 177.00 176.13 2bl5 h VAL 10 N 6.40 0.59 0.00 -0.36 3.04 -1.87 -1.50 116.25 122.54 2bl5 h VAL 10 Ca -0.27 -1.20 -0.11 0.00 -1.01 0.00 0.00 66.70 64.11 2bl5 h VAL 10 Cb 1.10 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 2bl5 h VAL 10 CO 1.24 0.24 -0.53 0.11 -1.01 0.00 0.00 177.57 177.63 2bl5 h LYS 11 N 0.00 0.00 0.00 4.17 1.57 -1.96 -2.90 116.57 117.46 2bl5 h LYS 11 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2bl5 h LYS 11 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2bl5 h LYS 11 CO 0.03 0.53 -0.67 0.93 -0.57 0.00 0.00 179.45 179.70 2bl5 h GLU 12 N 0.00 0.00 -2.36 3.15 4.39 -1.69 -3.32 114.58 114.76 2bl5 h GLU 12 Ca -0.01 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.09 2bl5 h GLU 12 Cb 1.12 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.36 2bl5 h GLU 12 CO 0.07 0.67 -0.64 0.66 -1.16 0.00 0.00 179.01 178.61 2bl5 n TYR 13 N -3.48 3.15 0.30 4.33 4.02 -0.85 -4.92 117.16 119.70 2bl5 n TYR 13 Ca 0.00 -4.12 0.19 0.00 -0.01 0.00 0.00 57.90 53.95 2bl5 n TYR 13 Cb 0.72 -0.54 0.87 0.00 -0.02 0.00 0.00 39.34 40.37 2bl5 n TYR 13 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2bl5 h PRO 14 N 4.43 0.00 0.00 -0.72 0.13 -1.62 -1.73 132.00 132.49 2bl5 h PRO 14 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2bl5 h PRO 14 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2bl5 h PRO 14 CO 0.77 0.02 -1.22 -3.47 -0.23 0.00 0.00 178.00 173.87 2bl5 n ASP 15 N -3.15 0.62 -4.37 1.44 2.03 -1.26 -4.76 116.55 107.09 2bl5 n ASP 15 Ca -0.01 -0.47 -0.42 0.00 0.52 0.00 0.00 54.79 54.41 2bl5 n ASP 15 Cb 0.22 1.13 -0.10 0.00 -0.72 0.00 0.00 41.12 41.66 2bl5 n ASP 15 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2bl5 s PHE 16 N -3.19 3.26 -0.76 -0.67 5.36 -0.65 -5.02 117.98 116.31 2bl5 s PHE 16 Ca 0.03 -1.01 -0.26 0.00 -0.96 0.00 0.00 56.93 54.73 2bl5 s PHE 16 Cb 0.15 -2.77 0.04 0.00 -0.34 0.00 0.00 43.02 40.10 2bl5 s PHE 16 CO 0.85 -0.72 1.26 0.54 -1.46 0.00 0.00 175.22 175.68 2bl5 s ASN 17 N 1.97 6.20 0.30 6.13 4.22 -1.26 -4.82 114.94 127.68 2bl5 s ASN 17 Ca 0.03 -0.63 -0.01 0.00 -2.14 0.00 0.00 52.86 50.11 2bl5 s ASN 17 Cb -0.21 -2.54 0.45 0.00 1.28 0.00 0.00 41.25 40.22 2bl5 s ASN 17 CO 0.06 -1.75 1.89 -0.26 -2.04 0.00 0.00 177.10 175.00 2bl5 h PHE 18 N 9.94 0.89 0.05 1.54 0.04 -1.95 0.22 116.94 127.66 2bl5 h PHE 18 Ca -0.23 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.50 2bl5 h PHE 18 Cb 1.05 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.92 2bl5 h PHE 18 CO 1.13 0.67 -0.02 0.28 -0.60 0.00 0.00 178.31 179.76 2bl5 h VAL 19 N 0.88 1.05 0.00 -0.55 2.07 -1.91 1.13 116.25 118.92 2bl5 h VAL 19 Ca 0.21 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2bl5 h VAL 19 Cb 0.14 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2bl5 h VAL 19 CO -0.02 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.25 2bl5 n GLY 20 N -0.75 -0.82 0.13 2.17 0.00 -0.89 -1.53 105.19 103.50 2bl5 n GLY 20 Ca -0.08 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.93 0.64 0.05 1.61 3.00 0.74 -3.64 116.66 117.13 2bl5 n ARG 21 Ca 0.00 0.21 -0.09 0.00 -0.00 0.00 0.00 57.85 57.97 2bl5 n ARG 21 Cb 0.07 -1.54 -0.06 0.00 0.00 0.00 0.00 32.46 30.93 2bl5 n ARG 21 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2bl5 h ILE 22 N -0.34 0.68 0.00 5.15 1.08 0.17 -3.37 117.51 120.87 2bl5 h ILE 22 Ca -0.60 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 2bl5 h ILE 22 Cb 1.80 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2bl5 h ILE 22 CO -0.18 0.19 -1.49 0.00 -0.69 0.00 0.00 178.15 175.97 2bl5 n LEU 23 N -4.91 0.26 0.00 1.44 -0.00 -0.58 -3.22 117.00 109.99 2bl5 n LEU 23 Ca -0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2bl5 n LEU 23 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2bl5 n LEU 23 CO 0.21 0.07 0.28 0.61 -0.00 0.00 0.00 177.39 178.56 2bl5 n GLY 24 N 1.46 -3.14 0.04 1.47 0.00 -0.60 -1.01 105.19 103.41 2bl5 n GLY 24 Ca -0.01 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.86 0.28 -0.18 1.61 -0.04 -1.25 -4.28 135.00 130.28 2bl5 n PRO 25 Ca 0.00 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2bl5 n PRO 25 Cb 0.00 -1.62 0.17 0.00 -0.04 0.00 0.00 33.50 32.00 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 -2.00 1.95 -0.10 0.54 3.00 -1.25 -4.72 116.66 114.08 2bl5 n ARG 26 Ca 0.02 -2.57 0.26 0.00 -0.01 0.00 0.00 57.85 55.55 2bl5 n ARG 26 Cb 0.44 -1.57 0.72 0.00 0.00 0.00 0.00 32.46 32.05 2bl5 n ARG 26 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2bl5 h GLY 27 N 0.62 0.00 0.01 -0.13 0.00 -1.04 0.11 103.07 102.64 2bl5 h GLY 27 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 2bl5 h GLY 27 CO 0.07 0.00 0.40 -2.00 0.00 0.00 0.00 176.54 175.01 2bl5 h LEU 28 N 0.00 0.41 -1.05 3.11 5.85 -1.84 -1.65 115.31 120.13 2bl5 h LEU 28 Ca 0.36 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 59.14 2bl5 h LEU 28 Cb 1.57 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 2bl5 h LEU 28 CO -0.00 0.10 0.02 0.00 -0.34 0.00 0.00 178.44 178.22 2bl5 h THR 29 N 0.50 1.22 -0.35 1.05 1.03 -1.10 0.12 112.91 115.39 2bl5 h THR 29 Ca 0.51 -0.89 -0.06 0.00 -0.01 0.00 0.00 66.41 65.96 2bl5 h THR 29 Cb 0.85 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 68.79 2bl5 h THR 29 CO -0.45 0.31 -0.00 0.00 -0.01 0.00 0.00 175.52 175.38 2bl5 h ALA 30 N 1.36 0.47 -0.26 0.00 0.00 -1.43 -1.74 119.26 117.66 2bl5 h ALA 30 Ca 0.14 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2bl5 h ALA 30 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bl5 h ALA 30 CO 0.01 0.23 -0.27 -0.22 0.00 0.00 0.00 179.25 179.00 2bl5 h LYS 31 N 0.43 0.65 -0.17 0.00 1.63 -1.14 -2.84 116.57 115.12 2bl5 h LYS 31 Ca 0.10 -0.35 -0.07 0.00 -0.85 0.00 0.00 60.65 59.48 2bl5 h LYS 31 Cb 0.46 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2bl5 h LYS 31 CO 0.02 0.95 -0.23 1.96 -3.45 0.00 0.00 179.45 178.70 2bl5 h GLN 32 N 0.37 0.30 -0.24 1.90 1.08 -0.72 -0.36 115.11 117.43 2bl5 h GLN 32 Ca 0.04 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 2bl5 h GLN 32 Cb 0.84 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2bl5 h GLN 32 CO 0.07 0.51 0.00 -0.07 -0.95 0.00 0.00 178.83 178.39 2bl5 h LEU 33 N 0.27 0.42 -0.57 1.46 4.07 -1.23 0.19 115.31 119.93 2bl5 h LEU 33 Ca 0.05 -0.31 -0.16 0.00 0.08 0.00 0.00 57.88 57.54 2bl5 h LEU 33 Cb 0.55 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 2bl5 h LEU 33 CO 0.04 0.63 -0.61 1.05 -1.08 0.00 0.00 178.44 178.47 2bl5 h GLU 34 N 0.21 0.38 -0.40 1.13 4.11 -1.25 0.26 114.58 119.01 2bl5 h GLU 34 Ca 0.07 -0.26 -0.07 0.00 0.07 0.00 0.00 59.36 59.17 2bl5 h GLU 34 Cb 0.41 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2bl5 h GLU 34 CO 0.01 0.87 -0.01 0.00 0.07 0.00 0.00 179.01 179.95 2bl5 h ALA 35 N 1.07 0.54 0.00 1.06 0.00 -0.94 -3.11 119.26 117.88 2bl5 h ALA 35 Ca -0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 2bl5 h ALA 35 Cb 1.13 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2bl5 h ALA 35 CO 0.10 0.33 -1.78 0.39 0.00 0.00 0.00 179.25 178.29 2bl5 n GLU 36 N -4.43 0.58 0.24 0.00 1.02 0.64 -4.44 120.64 114.25 2bl5 n GLU 36 Ca -0.01 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 57.71 2bl5 n GLU 36 Cb 0.30 -1.65 0.47 0.00 -0.02 0.00 0.00 31.44 30.54 2bl5 n GLU 36 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2bl5 h THR 37 N -0.99 0.27 0.00 2.62 1.35 -0.65 -3.46 112.91 112.05 2bl5 h THR 37 Ca -0.49 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2bl5 h THR 37 Cb 1.44 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2bl5 h THR 37 CO -0.29 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.70 2bl5 n GLY 38 N 0.35 1.03 3.53 5.82 0.00 -1.18 -4.74 105.19 110.01 2bl5 n GLY 38 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 1.71 3.39 -0.43 0.00 2.36 -0.40 -2.56 119.74 123.81 2bl5 s LYS 40 Ca 0.06 -0.76 -0.29 0.00 -2.55 0.00 0.00 55.97 52.44 2bl5 s LYS 40 Cb -0.16 -4.76 0.03 0.00 -1.05 0.00 0.00 37.83 31.89 2bl5 s LYS 40 CO 0.09 -2.14 1.12 -1.50 1.55 0.00 0.00 175.35 174.47 2bl5 s ILE 41 N 5.13 4.29 -0.13 5.43 2.07 -1.26 -2.58 121.20 134.15 2bl5 s ILE 41 Ca 0.39 1.38 -0.03 0.00 -1.41 0.00 0.00 60.65 60.98 2bl5 s ILE 41 Cb -0.05 -4.55 -0.03 0.00 0.13 0.00 0.00 42.46 37.96 2bl5 s ILE 41 CO 0.02 -0.86 -0.02 0.00 -1.91 0.00 0.00 174.94 172.17 2bl5 s MET 42 N 4.22 3.43 -0.40 3.50 0.23 0.14 -4.90 119.30 125.51 2bl5 s MET 42 Ca 0.47 -0.48 -0.29 0.00 -1.03 0.00 0.00 55.69 54.36 2bl5 s MET 42 Cb -0.09 -2.87 0.02 0.00 -1.53 0.00 0.00 34.83 30.37 2bl5 s MET 42 CO 0.27 0.40 1.09 0.08 -2.03 0.00 0.00 175.02 174.83 2bl5 s VAL 43 N -0.07 4.37 0.23 5.16 1.01 -1.26 -0.86 120.40 128.98 2bl5 s VAL 43 Ca 0.02 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.43 2bl5 s VAL 43 Cb -0.13 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2bl5 s VAL 43 CO 0.02 -0.75 0.39 -0.13 0.00 0.00 0.00 175.10 174.64 2bl5 s ARG 44 N 4.02 3.48 0.00 2.72 0.52 0.17 -4.16 118.95 125.70 2bl5 s ARG 44 Ca 0.46 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 2bl5 s ARG 44 Cb -0.10 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.53 2bl5 s ARG 44 CO 0.24 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.35 2bl5 n GLY 45 N -1.05 -1.44 3.61 -3.53 0.00 -0.18 0.63 105.19 103.22 2bl5 n GLY 45 Ca -0.06 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 2bl5 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bl5 s LYS 46 N 0.00 3.65 0.00 1.61 1.02 -1.19 -3.68 119.74 121.14 2bl5 s LYS 46 Ca 0.00 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2bl5 s LYS 46 Cb 0.00 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2bl5 s LYS 46 CO 0.00 -1.47 0.00 0.41 -0.92 0.00 0.00 175.35 173.37 2bl5 n GLY 47 N 4.90 1.95 0.22 -3.33 0.00 -1.26 -4.80 105.19 102.87 2bl5 n GLY 47 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2bl5 n GLY 47 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bl5 h SER 48 N 0.00 -0.43 -0.35 1.61 0.87 -1.72 -3.38 113.55 110.15 2bl5 h SER 48 Ca 0.00 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.31 2bl5 h SER 48 Cb 0.00 0.11 -0.28 0.00 -0.44 0.00 0.00 62.40 61.79 2bl5 h SER 48 CO 0.00 -0.11 -0.79 0.23 -0.53 0.00 0.00 176.83 175.63 2bl5 n MET 49 N -4.45 2.16 0.00 2.24 2.81 -1.26 -4.92 117.12 113.70 2bl5 n MET 49 Ca -0.06 -3.48 0.00 0.00 -1.81 0.00 0.00 57.70 52.34 2bl5 n MET 49 Cb 0.20 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2bl5 n MET 49 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2bl5 n ARG 50 N -0.67 0.03 -2.69 0.03 3.00 -1.26 -4.63 116.66 110.47 2bl5 n ARG 50 Ca 0.25 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.72 2bl5 n ARG 50 Cb 0.87 -1.25 -0.06 0.00 0.00 0.00 0.00 32.46 32.03 2bl5 n ARG 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2bl5 s ASP 51 N -0.00 7.27 0.47 6.15 -1.08 -1.26 -4.94 116.67 123.28 2bl5 s ASP 51 Ca 0.00 1.95 0.14 0.00 -0.52 0.00 0.00 52.55 54.12 2bl5 s ASP 51 Cb 0.00 -2.59 1.10 0.00 -1.46 0.00 0.00 42.92 39.96 2bl5 s ASP 51 CO 0.00 -0.12 2.07 0.50 0.52 0.00 0.00 175.17 178.14 2bl5 h LYS 52 N 3.28 0.09 -0.01 4.34 3.64 -2.00 -2.02 116.57 123.89 2bl5 h LYS 52 Ca -0.47 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2bl5 h LYS 52 Cb 1.20 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2bl5 h LYS 52 CO 0.65 0.13 0.00 1.57 -2.27 0.00 0.00 179.45 179.54 2bl5 h LYS 53 N 0.09 0.02 -0.88 1.90 2.10 -1.93 -2.60 116.57 115.28 2bl5 h LYS 53 Ca 0.02 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.70 2bl5 h LYS 53 Cb 0.12 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.40 2bl5 h LYS 53 CO 0.01 0.23 0.57 -0.22 -2.00 0.00 0.00 179.45 178.03 2bl5 h LYS 54 N -0.19 1.09 0.00 0.07 1.63 -1.64 0.32 116.57 117.85 2bl5 h LYS 54 Ca 0.00 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2bl5 h LYS 54 Cb 0.21 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 2bl5 h LYS 54 CO -0.00 0.72 -0.00 1.05 -3.45 0.00 0.00 179.45 177.77 2bl5 h GLU 55 N 1.12 0.00 0.38 1.90 4.11 -1.44 0.51 114.58 121.17 2bl5 h GLU 55 Ca 0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.76 2bl5 h GLU 55 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2bl5 h GLU 55 CO -0.11 0.00 -0.18 0.93 0.07 0.00 0.00 179.01 179.72 2bl5 h GLU 56 N 0.00 -0.50 0.00 1.06 5.08 -0.53 -3.33 114.58 116.37 2bl5 h GLU 56 Ca -0.00 0.03 -0.30 0.00 -1.00 0.00 0.00 59.36 58.10 2bl5 h GLU 56 Cb 0.50 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 2bl5 h GLU 56 CO 0.00 -0.33 -2.13 0.00 -1.00 0.00 0.00 179.01 175.55 2bl5 n GLN 57 N -4.47 0.67 -0.07 2.33 0.00 -1.09 -4.30 117.38 110.46 2bl5 n GLN 57 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 57.00 57.05 2bl5 n GLN 57 Cb 0.20 -1.40 0.06 0.00 0.00 0.00 0.00 30.24 29.10 2bl5 n GLN 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2bl5 n ASN 58 N -2.99 0.69 -4.58 2.61 4.13 0.15 -4.88 115.26 110.38 2bl5 n ASN 58 Ca -0.34 -2.00 -0.49 0.00 1.68 0.00 0.00 54.58 53.43 2bl5 n ASN 58 Cb 0.90 -0.09 -0.04 0.00 -1.54 0.00 0.00 39.78 39.01 2bl5 n ASN 58 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2bl5 n ARG 59 N -0.13 1.19 -0.04 3.52 1.85 0.67 -1.54 116.66 122.18 2bl5 n ARG 59 Ca 0.04 0.42 0.00 0.00 -1.00 0.00 0.00 57.85 57.32 2bl5 n ARG 59 Cb 0.11 -1.93 0.00 0.00 -1.05 0.00 0.00 32.46 29.59 2bl5 n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bl5 n GLY 60 N 2.04 1.68 3.91 2.89 0.00 -1.26 -5.04 105.19 109.42 2bl5 n GLY 60 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.42 2.72 0.16 1.61 3.01 -0.59 -4.50 119.74 121.73 2bl5 s LYS 61 Ca 0.00 0.03 0.12 0.00 -1.01 0.00 0.00 55.97 55.11 2bl5 s LYS 61 Cb 0.00 -2.19 0.53 0.00 -1.01 0.00 0.00 37.83 35.16 2bl5 s LYS 61 CO 0.00 -0.90 0.55 -2.30 0.51 0.00 0.00 175.35 173.21 2bl5 n PRO 62 N -2.76 -0.01 -0.23 -1.68 -0.02 -1.26 0.79 135.00 129.83 2bl5 n PRO 62 Ca 0.06 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 2bl5 n PRO 62 Cb 0.58 -0.88 0.04 0.00 -0.02 0.00 0.00 33.50 33.22 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 1.07 0.67 2.55 2.35 -1.91 0.06 115.58 120.37 2bl5 h ASN 63 Ca 0.31 -0.27 -0.16 0.00 -0.55 0.00 0.00 56.30 55.63 2bl5 h ASN 63 Cb 1.02 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 2bl5 h ASN 63 CO -0.16 1.07 -1.44 0.79 -1.65 0.00 0.00 177.43 176.04 2bl5 n TRP 64 N -4.20 0.93 -0.12 1.19 7.02 0.24 -1.92 117.44 120.57 2bl5 n TRP 64 Ca 0.04 0.31 -0.05 0.00 -1.02 0.00 0.00 57.50 56.78 2bl5 n TRP 64 Cb 0.31 -1.06 0.03 0.00 -2.42 0.00 0.00 31.31 28.16 2bl5 n TRP 64 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2bl5 h GLU 65 N 0.00 0.15 -0.09 -0.99 4.81 -0.50 -1.64 114.58 116.32 2bl5 h GLU 65 Ca -0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2bl5 h GLU 65 Cb 1.56 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.91 2bl5 h GLU 65 CO 0.04 0.10 0.00 -2.39 -0.73 0.00 0.00 179.01 176.03 2bl5 n HIS 66 N -5.14 0.09 0.31 0.92 1.44 -0.04 -4.07 115.22 108.71 2bl5 n HIS 66 Ca 0.03 -0.04 0.16 0.00 -2.01 0.00 0.00 57.72 55.85 2bl5 n HIS 66 Cb 0.19 0.00 0.72 0.00 0.12 0.00 0.00 29.99 31.02 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 4.02 0.00 -1.37 2.39 7.12 -0.59 0.21 115.31 127.08 2bl5 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2bl5 h LEU 67 Cb 0.86 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 2bl5 h LEU 67 CO 0.00 0.00 0.00 -0.46 -0.13 0.00 0.00 178.44 177.85 2bl5 n ASN 68 N -2.69 2.09 -4.91 1.25 0.23 -1.21 -3.88 115.26 106.14 2bl5 n ASN 68 Ca -0.00 -1.73 -0.22 0.00 -0.53 0.00 0.00 54.58 52.10 2bl5 n ASN 68 Cb 0.19 -0.07 0.05 0.00 -2.08 0.00 0.00 39.78 37.87 2bl5 n ASN 68 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2bl5 s GLU 69 N -1.85 2.34 0.08 -3.83 2.02 -0.12 -5.03 118.70 112.31 2bl5 s GLU 69 Ca 0.34 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 54.41 2bl5 s GLU 69 Cb 0.20 -2.42 -0.06 0.00 0.10 0.00 0.00 34.13 31.94 2bl5 s GLU 69 CO 0.30 -0.91 0.45 0.34 0.02 0.00 0.00 175.26 175.46 2bl5 s ASP 70 N -4.50 6.75 -0.17 -0.19 2.15 -1.26 -3.19 116.67 116.27 2bl5 s ASP 70 Ca 0.59 0.93 -0.36 0.00 0.43 0.00 0.00 52.55 54.15 2bl5 s ASP 70 Cb -0.09 -2.23 -0.12 0.00 -0.30 0.00 0.00 42.92 40.17 2bl5 s ASP 70 CO 0.40 0.19 1.89 -0.11 -0.17 0.00 0.00 175.17 177.38 2bl5 n LEU 71 N 1.11 3.07 -3.80 -1.34 7.94 -1.26 -4.18 117.00 118.54 2bl5 n LEU 71 Ca -0.09 0.92 -0.10 0.00 -1.11 0.00 0.00 56.01 55.63 2bl5 n LEU 71 Cb 0.52 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 43.09 2bl5 n LEU 71 CO 0.41 -0.22 -0.04 -1.38 -1.11 0.00 0.00 177.39 175.05 2bl5 s HIS 72 N 4.43 0.03 -0.11 1.96 -3.43 0.20 -2.52 115.29 115.85 2bl5 s HIS 72 Ca 0.96 -0.34 -0.12 0.00 -0.80 0.00 0.00 55.06 54.76 2bl5 s HIS 72 Cb -0.79 0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 30.33 2bl5 s HIS 72 CO 0.54 -0.53 0.27 0.14 -2.00 0.00 0.00 174.74 173.17 2bl5 s VAL 73 N -3.30 5.29 -0.12 -5.38 -7.23 -0.53 0.43 120.40 109.55 2bl5 s VAL 73 Ca 0.00 0.52 -0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2bl5 s VAL 73 Cb 0.02 -3.59 0.02 0.00 0.56 0.00 0.00 36.38 33.40 2bl5 s VAL 73 CO -0.08 0.50 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.90 2bl5 s LEU 74 N -0.29 1.24 -0.46 1.32 0.20 -0.04 0.33 118.68 120.98 2bl5 s LEU 74 Ca 0.17 -0.32 -0.23 0.00 0.69 0.00 0.00 54.13 54.44 2bl5 s LEU 74 Cb -0.14 -0.88 0.03 0.00 -0.43 0.00 0.00 46.19 44.78 2bl5 s LEU 74 CO 0.06 -0.11 0.80 0.27 -0.29 0.00 0.00 176.35 177.08 2bl5 s ILE 75 N 1.67 4.62 -0.45 6.68 -4.36 -0.43 0.25 121.20 129.18 2bl5 s ILE 75 Ca 0.05 0.42 -0.14 0.00 -0.26 0.00 0.00 60.65 60.71 2bl5 s ILE 75 Cb -0.13 -4.34 0.06 0.00 1.25 0.00 0.00 42.46 39.30 2bl5 s ILE 75 CO -0.08 -0.76 0.35 -0.89 0.24 0.00 0.00 174.94 173.80 2bl5 s THR 76 N 3.35 5.10 -0.19 8.37 2.01 -1.07 -1.72 115.64 131.50 2bl5 s THR 76 Ca 0.30 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2bl5 s THR 76 Cb -0.12 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.40 2bl5 s THR 76 CO 0.23 -0.50 -0.18 0.54 -0.69 0.00 0.00 174.62 174.01 2bl5 s VAL 77 N 1.62 2.20 -0.97 3.82 0.11 -0.68 -1.27 120.40 125.23 2bl5 s VAL 77 Ca 0.04 -0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 57.93 2bl5 s VAL 77 Cb -0.23 -1.95 0.04 0.00 -1.53 0.00 0.00 36.38 32.71 2bl5 s VAL 77 CO 0.07 0.50 1.48 -1.61 -3.33 0.00 0.00 175.10 172.21 2bl5 s GLU 78 N 1.30 3.43 0.00 1.54 0.41 -1.26 -1.82 118.70 122.30 2bl5 s GLU 78 Ca 0.04 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 2bl5 s GLU 78 Cb -0.13 -5.18 0.00 0.00 -1.78 0.00 0.00 34.13 27.03 2bl5 s GLU 78 CO -0.12 -2.32 0.00 -3.47 -0.49 0.00 0.00 175.26 168.86 2bl5 n ASP 79 N 9.49 0.00 -1.82 -0.19 -0.08 -1.26 -5.02 116.55 117.67 2bl5 n ASP 79 Ca 0.30 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.65 2bl5 n ASP 79 Cb 0.50 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.35 2bl5 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bl5 n ALA 80 N -0.10 3.80 -2.67 -1.67 0.00 -1.26 -4.55 120.51 114.06 2bl5 n ALA 80 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 53.44 51.38 2bl5 n ALA 80 Cb 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 2bl5 n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2bl5 s GLN 81 N -2.65 2.42 0.15 0.00 -0.21 -1.26 -5.04 119.66 113.08 2bl5 s GLN 81 Ca 0.52 -1.18 -0.14 0.00 0.02 0.00 0.00 55.36 54.59 2bl5 s GLN 81 Cb 0.39 -2.33 0.04 0.00 1.00 0.00 0.00 33.01 32.11 2bl5 s GLN 81 CO 0.15 0.43 1.70 -0.91 -2.12 0.00 0.00 175.29 174.54 2bl5 h ASN 82 N 2.41 0.71 -0.60 5.90 2.35 -1.99 -2.90 115.58 121.47 2bl5 h ASN 82 Ca -0.46 -0.18 0.11 0.00 -0.55 0.00 0.00 56.30 55.21 2bl5 h ASN 82 Cb 1.22 -0.19 -0.11 0.00 0.05 0.00 0.00 38.32 39.29 2bl5 h ASN 82 CO 0.59 0.70 -0.32 0.03 -1.65 0.00 0.00 177.43 176.78 2bl5 h ARG 83 N 0.68 -0.15 0.38 0.81 3.08 -1.98 0.19 114.38 117.40 2bl5 h ARG 83 Ca 0.17 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2bl5 h ARG 83 Cb 0.22 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2bl5 h ARG 83 CO -0.01 -0.10 -0.18 0.00 -1.07 0.00 0.00 179.97 178.61 2bl5 h ALA 84 N 1.05 -1.09 -0.38 0.04 0.00 -1.86 -2.63 119.26 114.39 2bl5 h ALA 84 Ca 0.24 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2bl5 h ALA 84 Cb 0.55 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2bl5 h ALA 84 CO -0.68 -1.05 0.26 1.05 0.00 0.00 0.00 179.25 178.83 2bl5 h GLU 85 N -0.53 0.32 -0.74 0.00 4.11 -1.33 0.19 114.58 116.60 2bl5 h GLU 85 Ca -0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2bl5 h GLU 85 Cb 0.39 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2bl5 h GLU 85 CO 0.09 0.21 0.42 1.25 0.07 0.00 0.00 179.01 181.05 2bl5 h LEU 86 N 0.33 0.91 -0.18 3.06 5.85 -0.58 0.75 115.31 125.44 2bl5 h LEU 86 Ca 0.16 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2bl5 h LEU 86 Cb 0.24 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2bl5 h LEU 86 CO -0.04 0.72 -0.21 0.50 -0.34 0.00 0.00 178.44 179.07 2bl5 h LYS 87 N 1.03 0.47 -0.28 1.25 3.64 -0.24 -2.03 116.57 120.42 2bl5 h LYS 87 Ca 0.26 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 2bl5 h LYS 87 Cb 0.00 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2bl5 h LYS 87 CO -0.05 0.84 -0.52 1.37 -2.27 0.00 0.00 179.45 178.82 2bl5 h LEU 88 N 0.13 0.90 -0.98 5.20 -0.00 -1.36 -2.87 115.31 116.33 2bl5 h LEU 88 Ca 0.03 -0.47 -0.09 0.00 -0.00 0.00 0.00 57.88 57.34 2bl5 h LEU 88 Cb 0.76 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 2bl5 h LEU 88 CO 0.05 1.25 -0.27 0.07 -0.00 0.00 0.00 178.44 179.54 2bl5 h LYS 89 N 0.63 0.42 -0.29 0.17 5.09 -0.81 0.63 116.57 122.42 2bl5 h LYS 89 Ca 0.02 -0.16 -0.09 0.00 0.09 0.00 0.00 60.65 60.51 2bl5 h LYS 89 Cb 1.11 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.41 2bl5 h LYS 89 CO 0.11 0.66 -0.19 0.07 -2.09 0.00 0.00 179.45 178.01 2bl5 h ARG 90 N 0.37 0.63 -0.30 0.07 0.11 -1.40 -0.53 114.38 113.33 2bl5 h ARG 90 Ca 0.05 -0.30 -0.04 0.00 0.10 0.00 0.00 59.98 59.80 2bl5 h ARG 90 Cb 0.66 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 2bl5 h ARG 90 CO 0.05 0.89 0.03 0.00 0.10 0.00 0.00 179.97 181.04 2bl5 h ALA 91 N 0.73 0.41 0.00 0.08 0.00 -1.22 -2.44 119.26 116.81 2bl5 h ALA 91 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2bl5 h ALA 91 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2bl5 h ALA 91 CO 0.05 0.12 -0.19 -0.24 0.00 0.00 0.00 179.25 178.99 2bl5 h VAL 92 N 0.33 0.89 0.00 0.00 3.04 0.25 -0.26 116.25 120.50 2bl5 h VAL 92 Ca 0.09 -0.71 -0.06 0.00 -1.01 0.00 0.00 66.70 65.01 2bl5 h VAL 92 Cb 0.38 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2bl5 h VAL 92 CO 0.01 0.19 -0.28 -0.33 -1.01 0.00 0.00 177.57 176.15 2bl5 h GLU 93 N 0.00 0.00 0.00 4.17 4.39 -0.62 0.20 114.58 122.72 2bl5 h GLU 93 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2bl5 h GLU 93 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2bl5 h GLU 93 CO 0.02 0.28 -0.44 0.93 -1.16 0.00 0.00 179.01 178.64 2bl5 h GLU 94 N 0.00 0.00 0.00 2.33 5.08 -0.74 -1.52 114.58 119.73 2bl5 h GLU 94 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2bl5 h GLU 94 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2bl5 h GLU 94 CO 0.04 0.44 -0.54 -0.24 -1.00 0.00 0.00 179.01 177.71 2bl5 h VAL 95 N 0.00 1.29 -0.79 3.13 3.04 -0.82 -2.38 116.25 119.72 2bl5 h VAL 95 Ca -0.00 -1.92 0.18 0.00 -1.01 0.00 0.00 66.70 63.94 2bl5 h VAL 95 Cb 0.83 2.06 -0.05 0.00 -2.01 0.00 0.00 31.29 32.12 2bl5 h VAL 95 CO 0.06 0.53 0.54 0.11 -1.01 0.00 0.00 177.57 177.79 2bl5 h LYS 96 N 0.00 0.33 -0.02 4.17 1.79 0.39 1.05 116.57 124.28 2bl5 h LYS 96 Ca -0.01 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.23 2bl5 h LYS 96 Cb 1.02 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2bl5 h LYS 96 CO 0.07 0.22 -0.89 -0.22 -1.08 0.00 0.00 179.45 177.55 2bl5 h LYS 97 N 0.34 0.44 -0.07 3.15 1.63 -1.14 -3.35 116.57 117.57 2bl5 h LYS 97 Ca 0.40 -0.44 -0.25 0.00 -0.85 0.00 0.00 60.65 59.51 2bl5 h LYS 97 Cb 1.04 0.12 0.02 0.00 -0.60 0.00 0.00 32.23 32.80 2bl5 h LYS 97 CO -0.12 1.09 -0.92 1.25 -3.45 0.00 0.00 179.45 177.30 2bl5 h LEU 98 N 0.26 0.92 -0.17 5.20 5.85 -0.11 -3.21 115.31 124.06 2bl5 h LEU 98 Ca -0.07 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2bl5 h LEU 98 Cb 1.52 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2bl5 h LEU 98 CO 0.16 1.48 0.00 0.00 -0.34 0.00 0.00 178.44 179.74 2bl5 n LEU 99 N -3.90 0.14 -4.75 2.25 -0.00 0.33 -4.73 117.00 106.33 2bl5 n LEU 99 Ca -0.10 -0.07 -0.40 0.00 -0.00 0.00 0.00 56.01 55.45 2bl5 n LEU 99 Cb 0.82 -0.07 -0.05 0.00 -0.00 0.00 0.00 43.42 44.12 2bl5 n LEU 99 CO 0.54 0.03 0.55 -0.69 -0.00 0.00 0.00 177.39 177.83 2bl5 s VAL 100 N -1.83 4.44 -2.00 1.47 1.01 -1.22 -4.92 120.40 117.35 2bl5 s VAL 100 Ca 0.00 1.84 0.01 0.00 0.00 0.00 0.00 61.98 63.83 2bl5 s VAL 100 Cb 0.00 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2bl5 s VAL 100 CO 0.00 0.43 0.42 -0.81 0.00 0.00 0.00 175.10 175.14 2bl5 n PRO 101 N 2.18 0.06 -0.12 2.72 -0.04 -1.26 -4.68 135.00 133.86 2bl5 n PRO 101 Ca -0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.41 2bl5 n PRO 101 Cb 0.49 -1.33 0.02 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.83 -0.23 -2.47 0.55 0.00 -1.26 -5.04 120.51 111.22 2bl5 n ALA 102 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2bl5 n ALA 102 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bl5 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bl5 n ALA 103 N -3.13 0.00 0.17 0.00 0.00 -1.26 -5.03 120.51 111.25 2bl5 n ALA 103 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2bl5 n ALA 103 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 2bl5 n ALA 103 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2bl5 h GLU 104 N 0.00 -0.40 0.00 0.00 4.57 -1.98 -3.48 114.58 113.29 2bl5 h GLU 104 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2bl5 h GLU 104 Cb 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2bl5 h GLU 104 CO 0.00 -0.12 0.00 0.41 -1.18 0.00 0.00 179.01 178.12 2bl5 n GLY 105 N -0.56 0.43 3.68 1.92 0.00 -1.26 -5.07 105.19 104.33 2bl5 n GLY 105 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2bl5 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bl5 s GLU 106 N -0.94 2.10 2.67 1.61 0.41 -1.26 -4.89 118.70 118.40 2bl5 s GLU 106 Ca 0.00 -2.31 0.00 0.00 -0.41 0.00 0.00 54.97 52.25 2bl5 s GLU 106 Cb 0.00 -1.29 0.00 0.00 -1.78 0.00 0.00 34.13 31.06 2bl5 s GLU 106 CO 0.00 -0.36 0.00 -3.47 -0.49 0.00 0.00 175.26 170.94 2bl5 n ASP 107 N -1.24 0.00 -0.32 -0.19 2.03 -1.26 -3.80 116.55 111.77 2bl5 n ASP 107 Ca -0.14 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.14 2bl5 n ASP 107 Cb 0.66 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.16 2bl5 n ASP 107 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2bl5 h SER 108 N 0.00 0.95 -0.31 1.67 0.87 -1.98 -0.18 113.55 114.57 2bl5 h SER 108 Ca 0.00 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2bl5 h SER 108 Cb 0.00 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 2bl5 h SER 108 CO 0.00 0.67 0.14 -0.07 -0.53 0.00 0.00 176.83 177.05 2bl5 h LEU 109 N 1.12 0.20 0.16 2.23 3.38 -1.91 -1.12 115.31 119.38 2bl5 h LEU 109 Ca 0.33 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.98 2bl5 h LEU 109 Cb -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2bl5 h LEU 109 CO -0.09 0.16 -1.73 0.11 0.09 0.00 0.00 178.44 176.97 2bl5 h LYS 110 N 0.30 0.34 -0.38 1.13 1.79 -1.78 -3.02 116.57 114.94 2bl5 h LYS 110 Ca 0.13 -0.58 -0.03 0.00 -2.18 0.00 0.00 60.65 58.00 2bl5 h LYS 110 Cb 0.06 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2bl5 h LYS 110 CO -0.10 1.24 0.12 0.87 -1.08 0.00 0.00 179.45 180.50 2bl5 h LYS 111 N 0.09 0.59 -0.00 3.15 1.79 -1.01 -2.03 116.57 119.15 2bl5 h LYS 111 Ca -0.33 -0.12 -0.18 0.00 -2.18 0.00 0.00 60.65 57.84 2bl5 h LYS 111 Cb 2.07 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.62 2bl5 h LYS 111 CO 0.16 0.59 -0.82 0.52 -1.08 0.00 0.00 179.45 178.83 2bl5 h MET 112 N 0.47 0.11 -0.14 3.15 2.86 -1.35 -0.70 114.93 119.33 2bl5 h MET 112 Ca 0.12 -0.11 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 2bl5 h MET 112 Cb 0.25 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2bl5 h MET 112 CO -0.00 0.86 -0.66 -0.22 1.06 0.00 0.00 176.91 177.95 2bl5 h LYS 113 N 0.06 0.53 0.00 1.72 3.11 -1.44 -1.30 116.57 119.25 2bl5 h LYS 113 Ca -0.03 -0.39 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 2bl5 h LYS 113 Cb 1.42 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.72 2bl5 h LYS 113 CO 0.12 1.01 -0.43 -0.11 -2.81 0.00 0.00 179.45 177.22 2bl5 n LEU 114 N -3.90 1.13 -0.04 5.20 7.94 -0.77 -4.35 117.00 122.22 2bl5 n LEU 114 Ca -0.04 0.37 -0.21 0.00 -1.11 0.00 0.00 56.01 55.01 2bl5 n LEU 114 Cb 0.67 -0.69 -0.13 0.00 0.53 0.00 0.00 43.42 43.80 2bl5 n LEU 114 CO 0.48 -0.43 -0.55 -0.03 -1.11 0.00 0.00 177.39 175.75 2bl5 h MET 115 N -0.61 0.16 0.00 1.96 4.05 -1.31 -2.45 114.93 116.74 2bl5 h MET 115 Ca 0.00 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.14 2bl5 h MET 115 Cb 0.43 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2bl5 h MET 115 CO 0.00 1.13 -0.06 0.93 0.23 0.00 0.00 176.91 179.14 2bl5 h GLU 116 N -0.47 0.00 0.00 0.39 4.39 -1.25 -0.18 114.58 117.46 2bl5 h GLU 116 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2bl5 h GLU 116 Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 2bl5 h GLU 116 CO -0.03 0.06 0.00 1.25 -1.16 0.00 0.00 179.01 179.12 2bl5 h LEU 117 N 0.00 0.00 0.40 1.33 7.12 -1.34 -3.46 115.31 119.36 2bl5 h LEU 117 Ca -0.00 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.84 2bl5 h LEU 117 Cb 0.27 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.33 2bl5 h LEU 117 CO 0.01 0.00 -0.16 0.00 -0.13 0.00 0.00 178.44 178.16 2bl5 n ALA 118 N -1.87 -0.13 0.00 1.25 0.00 -0.08 -4.93 120.51 114.76 2bl5 n ALA 118 Ca 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 2bl5 n ALA 118 Cb 0.27 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 2bl5 n ALA 118 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2bl5 h ILE 119 N 0.00 0.00 -3.52 0.00 1.08 -1.74 -3.41 117.51 109.92 2bl5 h ILE 119 Ca -0.17 -0.34 -0.69 0.00 -0.39 0.00 0.00 64.86 63.26 2bl5 h ILE 119 Cb 0.64 0.00 -0.36 0.00 -3.07 0.00 0.00 36.82 34.04 2bl5 h ILE 119 CO 0.25 0.00 -0.34 -0.76 -0.69 0.00 0.00 178.15 176.61 2bl5 s LEU 120 N -5.78 5.24 0.00 1.44 2.01 -0.93 -4.89 118.68 115.78 2bl5 s LEU 120 Ca -0.01 -2.99 0.18 0.00 0.01 0.00 0.00 54.13 51.32 2bl5 s LEU 120 Cb 0.00 -1.85 0.79 0.00 0.01 0.00 0.00 46.19 45.14 2bl5 s LEU 120 CO 0.02 -0.34 1.55 -0.46 1.01 0.00 0.00 176.35 178.13 2bl5 n ASN 121 N 3.30 0.94 0.00 2.29 6.94 -1.26 -3.83 115.26 123.64 2bl5 n ASN 121 Ca 0.10 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 2bl5 n ASN 121 Cb 0.37 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 2bl5 n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bl5 n GLY 122 N 0.95 0.36 0.10 4.83 0.00 -1.26 -4.98 105.19 105.20 2bl5 n GLY 122 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 2bl5 n GLY 122 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bl5 h THR 123 N 0.00 0.00 -3.48 2.61 2.02 -1.97 -3.43 112.91 108.67 2bl5 h THR 123 Ca 0.00 -0.07 -0.60 0.00 0.77 0.00 0.00 66.41 66.51 2bl5 h THR 123 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 2bl5 h THR 123 CO 0.00 0.00 -0.26 -0.31 0.37 0.00 0.00 175.52 175.32 2bl5 s TYR 124 N -3.00 3.37 0.01 3.16 2.02 -1.26 -4.99 117.35 116.66 2bl5 s TYR 124 Ca -0.03 0.55 -0.25 0.00 -0.37 0.00 0.00 57.07 56.97 2bl5 s TYR 124 Cb 0.00 -2.47 -0.15 0.00 -0.40 0.00 0.00 41.96 38.94 2bl5 s TYR 124 CO 0.10 0.02 1.16 -0.09 -1.57 0.00 0.00 175.55 175.17 2bl5 h ARG 125 N 7.34 -0.58 0.00 -0.62 1.12 -2.04 -3.18 114.38 116.41 2bl5 h ARG 125 Ca -0.37 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 2bl5 h ARG 125 Cb 1.16 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.26 2bl5 h ARG 125 CO 0.71 -0.28 0.00 -0.25 -3.11 0.00 0.00 179.97 177.04 2bl5 n ASP 126 N -5.23 0.00 0.24 -3.80 9.92 -1.26 -1.96 116.55 114.46 2bl5 n ASP 126 Ca -0.10 -0.89 0.16 0.00 -0.53 0.00 0.00 54.79 53.43 2bl5 n ASP 126 Cb 0.30 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 41.40 2bl5 n ASP 126 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bl5 h ALA 127 N 3.66 1.00 -0.96 2.24 0.00 -1.97 0.38 119.26 123.61 2bl5 h ALA 127 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bl5 h ALA 127 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2bl5 h ALA 127 CO 0.00 0.00 0.60 -0.97 0.00 0.00 0.00 179.25 178.88 2bl5 h ASN 128 N 0.00 1.15 0.01 0.00 -1.24 -1.56 -3.28 115.58 110.66 2bl5 h ASN 128 Ca 0.00 -0.06 -0.40 0.00 0.71 0.00 0.00 56.30 56.55 2bl5 h ASN 128 Cb 0.50 -0.29 -0.07 0.00 0.73 0.00 0.00 38.32 39.19 2bl5 h ASN 128 CO 0.00 0.87 -2.43 -0.11 -1.29 0.00 0.00 177.43 174.46 2bl5 n LEU 129 N -4.36 2.79 -1.63 0.34 7.94 -1.03 -5.10 117.00 115.95 2bl5 n LEU 129 Ca 0.11 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2bl5 n LEU 129 Cb 0.05 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.08 2bl5 n LEU 129 CO 0.38 0.87 -0.26 0.29 -1.11 0.00 0.00 177.39 177.56 2bl5 n LYS 130 N -3.44 -2.78 -3.74 1.96 5.02 0.13 -4.98 118.16 110.33 2bl5 n LYS 130 Ca -0.46 2.24 -0.35 0.00 -2.02 0.00 0.00 58.31 57.73 2bl5 n LYS 130 Cb 0.98 -2.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.27 2bl5 n LYS 130 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2bl5 s SER 131 N -0.31 5.30 0.00 4.39 0.01 -1.26 -4.82 113.70 117.02 2bl5 s SER 131 Ca 0.00 -3.27 0.24 0.00 1.31 0.00 0.00 55.95 54.22 2bl5 s SER 131 Cb 0.00 -1.82 0.15 0.00 0.21 0.00 0.00 66.02 64.57 2bl5 s SER 131 CO 0.00 -0.26 1.22 -0.81 0.41 0.00 0.00 173.24 173.80 2bl5 n PRO 132 N 2.89 1.85 -0.43 12.44 -0.04 -1.26 -4.41 135.00 146.04 2bl5 n PRO 132 Ca 0.13 -1.51 0.08 0.00 -0.04 0.00 0.00 63.50 62.16 2bl5 n PRO 132 Cb 0.37 -1.47 0.25 0.00 -0.04 0.00 0.00 33.50 32.61 2bl5 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bl5 n ALA 133 N 0.75 2.89 -1.45 0.55 0.00 -1.26 -4.73 120.51 117.26 2bl5 n ALA 133 Ca 0.12 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.60 2bl5 n ALA 133 Cb 0.54 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2bl5 n ALA 133 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bl5 n LEU 134 N -0.07 0.00 0.00 0.00 4.77 -1.26 -5.31 117.00 115.13 2bl5 n LEU 134 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2bl5 n LEU 134 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2bl5 n LEU 134 CO 0.16 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.79