#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 1.81 -0.04 2.61 2.96 -0.49 -4.99 118.68 120.55 2bl5 s LEU 2 Ca 0.00 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 2bl5 s LEU 2 Cb 0.00 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 2bl5 s LEU 2 CO 0.00 0.10 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.83 2bl5 s GLN 3 N 0.28 1.88 -0.09 1.98 -0.21 -1.26 -1.02 119.66 121.22 2bl5 s GLN 3 Ca -0.08 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.63 2bl5 s GLN 3 Cb -0.13 -1.68 -0.01 0.00 1.00 0.00 0.00 33.01 32.19 2bl5 s GLN 3 CO 0.03 0.35 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.13 2bl5 s GLU 4 N -0.20 2.91 -0.24 2.91 2.02 -0.63 -4.99 118.70 120.48 2bl5 s GLU 4 Ca 0.01 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 2bl5 s GLU 4 Cb -0.11 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 31.80 2bl5 s GLU 4 CO 0.01 0.31 -0.07 0.15 0.02 0.00 0.00 175.26 175.68 2bl5 s LYS 5 N 0.05 2.96 -0.60 1.61 3.01 -1.26 -1.36 119.74 124.14 2bl5 s LYS 5 Ca -0.08 -0.89 -0.08 0.00 -1.01 0.00 0.00 55.97 53.90 2bl5 s LYS 5 Cb -0.15 -2.95 0.16 0.00 -1.01 0.00 0.00 37.83 33.88 2bl5 s LYS 5 CO 0.05 -0.34 0.47 -0.51 0.51 0.00 0.00 175.35 175.53 2bl5 s LEU 6 N 1.35 5.79 0.16 3.17 1.43 0.11 -4.96 118.68 125.73 2bl5 s LEU 6 Ca 0.02 -2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 50.41 2bl5 s LEU 6 Cb -0.16 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 2bl5 s LEU 6 CO -0.05 -0.56 1.25 -0.31 0.23 0.00 0.00 176.35 176.91 2bl5 s TYR 7 N 0.62 3.35 -0.23 0.29 1.51 -1.26 -1.19 117.35 120.44 2bl5 s TYR 7 Ca 0.12 1.29 0.01 0.00 -1.01 0.00 0.00 57.07 57.48 2bl5 s TYR 7 Cb -0.21 -3.51 0.06 0.00 -0.11 0.00 0.00 41.96 38.19 2bl5 s TYR 7 CO -0.04 -1.56 -0.08 0.14 -1.11 0.00 0.00 175.55 172.91 2bl5 s VAL 8 N 0.29 1.68 -0.86 0.71 -7.23 -1.00 -4.93 120.40 109.06 2bl5 s VAL 8 Ca 0.56 -1.24 -0.25 0.00 -1.81 0.00 0.00 61.98 59.24 2bl5 s VAL 8 Cb -0.34 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2bl5 s VAL 8 CO 0.35 -0.01 1.76 -2.16 -0.31 0.00 0.00 175.10 174.73 2bl5 s PRO 9 N 1.34 2.86 0.57 4.82 0.04 -1.26 -4.43 135.00 138.93 2bl5 s PRO 9 Ca -0.05 -0.31 0.35 0.00 0.04 0.00 0.00 61.00 61.03 2bl5 s PRO 9 Cb -0.18 -4.93 1.55 0.00 0.04 0.00 0.00 34.50 30.97 2bl5 s PRO 9 CO -0.06 -2.89 2.05 -0.24 0.04 0.00 0.00 177.00 175.90 2bl5 h VAL 10 N 6.99 0.06 -0.45 -0.36 3.04 -1.86 0.17 116.25 123.84 2bl5 h VAL 10 Ca 0.02 -0.45 -0.08 0.00 -1.01 0.00 0.00 66.70 65.18 2bl5 h VAL 10 Cb 1.04 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.72 2bl5 h VAL 10 CO 1.27 0.02 -0.05 0.11 -1.01 0.00 0.00 177.57 177.91 2bl5 h LYS 11 N 0.00 0.77 0.00 4.17 1.57 -1.95 -3.00 116.57 118.12 2bl5 h LYS 11 Ca -0.00 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 2bl5 h LYS 11 Cb 0.42 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2bl5 h LYS 11 CO 0.00 0.81 -0.57 0.93 -0.57 0.00 0.00 179.45 180.05 2bl5 h GLU 12 N 0.71 0.00 -2.60 3.15 4.39 -1.07 -3.35 114.58 115.81 2bl5 h GLU 12 Ca 0.13 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.23 2bl5 h GLU 12 Cb 0.50 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.75 2bl5 h GLU 12 CO 0.03 0.57 -0.72 0.66 -1.16 0.00 0.00 179.01 178.39 2bl5 n TYR 13 N -3.59 2.11 0.23 4.33 4.01 -0.78 -4.92 117.16 118.56 2bl5 n TYR 13 Ca -0.00 -3.99 0.10 0.00 -0.16 0.00 0.00 57.90 53.85 2bl5 n TYR 13 Cb 0.63 -0.40 0.55 0.00 -0.31 0.00 0.00 39.34 39.81 2bl5 n TYR 13 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2bl5 h PRO 14 N 4.97 0.00 0.00 -0.72 0.11 -1.68 -2.25 132.00 132.44 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 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2bl5 h PRO 14 CO 0.65 0.21 -0.52 -3.47 -0.21 0.00 0.00 178.00 174.66 2bl5 n ASP 15 N -3.51 0.60 -4.22 -2.05 2.03 -1.26 -4.65 116.55 103.49 2bl5 n ASP 15 Ca -0.01 0.07 -0.38 0.00 0.52 0.00 0.00 54.79 55.00 2bl5 n ASP 15 Cb 0.37 0.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.74 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 -3.11 3.36 -0.67 -0.67 5.36 -0.85 -5.04 117.98 116.36 2bl5 s PHE 16 Ca 0.08 -1.76 -0.23 0.00 -0.96 0.00 0.00 56.93 54.06 2bl5 s PHE 16 Cb 0.15 -2.67 0.06 0.00 -0.34 0.00 0.00 43.02 40.22 2bl5 s PHE 16 CO 0.70 -0.83 1.01 0.54 -1.46 0.00 0.00 175.22 175.17 2bl5 s ASN 17 N 1.70 6.17 0.34 6.13 6.03 -1.26 -4.81 114.94 129.23 2bl5 s ASN 17 Ca 0.01 -0.91 0.02 0.00 -1.03 0.00 0.00 52.86 50.96 2bl5 s ASN 17 Cb -0.21 -2.44 0.62 0.00 -3.03 0.00 0.00 41.25 36.18 2bl5 s ASN 17 CO 0.00 -1.51 1.97 -0.26 -2.03 0.00 0.00 177.10 175.27 2bl5 h PHE 18 N 9.64 0.88 -0.29 1.54 0.04 -1.96 0.60 116.94 127.39 2bl5 h PHE 18 Ca -0.29 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.41 2bl5 h PHE 18 Cb 1.07 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 2bl5 h PHE 18 CO 0.99 0.50 -0.18 -0.39 -0.60 0.00 0.00 178.31 178.64 2bl5 h VAL 19 N 0.90 1.30 0.00 -0.55 -1.51 -1.90 0.49 116.25 114.97 2bl5 h VAL 19 Ca 0.30 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 2bl5 h VAL 19 Cb 0.08 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2bl5 h VAL 19 CO -0.09 0.41 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 2bl5 n GLY 20 N 0.01 -1.07 0.13 5.19 0.00 -0.40 0.63 105.19 109.69 2bl5 n GLY 20 Ca -0.03 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.03 0.66 0.00 1.61 3.00 0.20 -3.45 116.66 116.65 2bl5 n ARG 21 Ca 0.01 0.29 -0.21 0.00 -0.00 0.00 0.00 57.85 57.94 2bl5 n ARG 21 Cb 0.16 -1.62 -0.14 0.00 0.00 0.00 0.00 32.46 30.86 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 -3.75 1.78 -0.11 5.15 2.08 0.17 -4.36 119.36 120.32 2bl5 n ILE 22 Ca -0.40 -0.66 -0.13 0.00 0.56 0.00 0.00 62.75 62.12 2bl5 n ILE 22 Cb 0.93 -1.73 -0.14 0.00 -0.75 0.00 0.00 39.64 37.95 2bl5 n ILE 22 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2bl5 n LEU 23 N -3.48 1.24 0.00 1.39 4.32 0.21 -1.75 117.00 118.93 2bl5 n LEU 23 Ca -0.32 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 2bl5 n LEU 23 Cb 1.05 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.76 2bl5 n LEU 23 CO 0.43 0.68 0.04 0.61 -1.22 0.00 0.00 177.39 177.93 2bl5 n GLY 24 N 1.96 -1.34 0.06 -0.72 0.00 0.79 -1.16 105.19 104.77 2bl5 n GLY 24 Ca -0.38 0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.14 0.37 -0.10 1.61 -0.04 -1.25 -4.26 135.00 131.18 2bl5 n PRO 25 Ca 0.00 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 2bl5 n PRO 25 Cb 0.00 -1.66 0.09 0.00 -0.04 0.00 0.00 33.50 31.89 2bl5 n PRO 25 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2bl5 n ARG 26 N -2.16 2.62 0.24 0.54 3.00 -1.26 -4.69 116.66 114.95 2bl5 n ARG 26 Ca 0.02 -1.98 0.14 0.00 -0.00 0.00 0.00 57.85 56.02 2bl5 n ARG 26 Cb 0.47 -1.25 0.74 0.00 0.00 0.00 0.00 32.46 32.42 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 0.64 0.00 -0.16 5.14 0.00 -0.28 0.49 103.07 108.90 2bl5 h GLY 27 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 2bl5 h GLY 27 CO 0.02 0.00 0.64 1.41 0.00 0.00 0.00 176.54 178.61 2bl5 h LEU 28 N 0.00 0.56 -0.46 3.11 3.38 -1.81 -1.65 115.31 118.44 2bl5 h LEU 28 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2bl5 h LEU 28 Cb 0.26 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2bl5 h LEU 28 CO 0.00 0.09 0.30 0.00 0.09 0.00 0.00 178.44 178.92 2bl5 h THR 29 N 0.48 1.10 -0.53 0.22 1.03 -1.17 0.91 112.91 114.94 2bl5 h THR 29 Ca 0.62 -0.21 -0.03 0.00 -0.01 0.00 0.00 66.41 66.79 2bl5 h THR 29 Cb 1.38 0.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.89 2bl5 h THR 29 CO -0.39 0.11 0.23 0.00 -0.01 0.00 0.00 175.52 175.46 2bl5 h ALA 30 N 1.18 0.69 -0.78 0.00 0.00 -1.50 0.38 119.26 119.22 2bl5 h ALA 30 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2bl5 h ALA 30 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2bl5 h ALA 30 CO -0.05 0.28 0.31 0.87 0.00 0.00 0.00 179.25 180.66 2bl5 h LYS 31 N 0.72 1.16 -0.11 0.00 1.57 -1.25 -2.64 116.57 116.02 2bl5 h LYS 31 Ca 0.18 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 2bl5 h LYS 31 Cb 0.17 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2bl5 h LYS 31 CO -0.02 0.94 -0.49 1.96 -0.57 0.00 0.00 179.45 181.28 2bl5 h GLN 32 N 1.13 0.29 -0.38 3.15 1.08 0.15 -1.87 115.11 118.66 2bl5 h GLN 32 Ca 0.26 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2bl5 h GLN 32 Cb 0.22 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2bl5 h GLN 32 CO -0.02 0.72 0.08 -0.07 -0.95 0.00 0.00 178.83 178.58 2bl5 h LEU 33 N 0.23 0.59 -0.48 1.46 3.38 -0.61 0.38 115.31 120.26 2bl5 h LEU 33 Ca 0.01 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 2bl5 h LEU 33 Cb 0.95 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2bl5 h LEU 33 CO 0.08 0.68 -0.62 1.05 0.09 0.00 0.00 178.44 179.72 2bl5 h GLU 34 N 0.47 0.49 -0.44 1.13 4.11 -1.23 0.28 114.58 119.38 2bl5 h GLU 34 Ca 0.12 -0.34 -0.07 0.00 0.07 0.00 0.00 59.36 59.14 2bl5 h GLU 34 Cb 0.34 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2bl5 h GLU 34 CO 0.00 0.96 0.01 0.00 0.07 0.00 0.00 179.01 180.05 2bl5 h ALA 35 N 0.96 0.59 0.00 1.06 0.00 -1.08 -3.04 119.26 117.76 2bl5 h ALA 35 Ca -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 2bl5 h ALA 35 Cb 1.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2bl5 h ALA 35 CO 0.11 0.38 -1.57 0.39 0.00 0.00 0.00 179.25 178.56 2bl5 n GLU 36 N -4.40 0.56 0.17 0.00 -0.58 0.13 -4.49 120.64 112.03 2bl5 n GLU 36 Ca -0.00 0.46 0.05 0.00 -0.42 0.00 0.00 57.16 57.25 2bl5 n GLU 36 Cb 0.29 -1.65 0.15 0.00 -0.57 0.00 0.00 31.44 29.67 2bl5 n GLU 36 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2bl5 h THR 37 N -1.00 0.70 0.00 2.62 1.35 -0.59 -3.46 112.91 112.52 2bl5 h THR 37 Ca -0.41 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 2bl5 h THR 37 Cb 1.31 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 2bl5 h THR 37 CO -0.25 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 2bl5 n GLY 38 N 0.92 1.14 3.59 5.82 0.00 -1.15 -4.79 105.19 110.72 2bl5 n GLY 38 Ca 0.02 0.00 -0.39 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 1.96 3.45 -0.47 0.00 -2.85 -0.13 -2.24 119.74 119.46 2bl5 s LYS 40 Ca 0.12 -1.11 -0.29 0.00 -1.00 0.00 0.00 55.97 53.69 2bl5 s LYS 40 Cb -0.16 -4.86 0.03 0.00 -2.06 0.00 0.00 37.83 30.78 2bl5 s LYS 40 CO 0.11 -2.01 1.16 -1.50 0.10 0.00 0.00 175.35 173.20 2bl5 s ILE 41 N 4.31 4.19 -0.13 3.79 2.07 -1.26 -2.45 121.20 131.71 2bl5 s ILE 41 Ca 0.37 1.21 -0.03 0.00 -1.41 0.00 0.00 60.65 60.79 2bl5 s ILE 41 Cb -0.05 -4.58 -0.03 0.00 0.13 0.00 0.00 42.46 37.93 2bl5 s ILE 41 CO -0.03 -0.99 -0.04 0.00 -1.91 0.00 0.00 174.94 171.98 2bl5 s MET 42 N 4.48 3.45 -0.19 3.50 0.23 0.15 -4.89 119.30 126.04 2bl5 s MET 42 Ca 0.49 -0.51 -0.29 0.00 -1.03 0.00 0.00 55.69 54.35 2bl5 s MET 42 Cb -0.08 -2.85 -0.02 0.00 -1.53 0.00 0.00 34.83 30.35 2bl5 s MET 42 CO 0.32 0.36 1.40 0.08 -2.03 0.00 0.00 175.02 175.15 2bl5 s VAL 43 N 0.03 4.03 -0.16 5.16 1.01 -1.26 -1.90 120.40 127.31 2bl5 s VAL 43 Ca 0.00 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 2bl5 s VAL 43 Cb -0.13 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2bl5 s VAL 43 CO 0.03 -0.22 -0.05 -0.13 0.00 0.00 0.00 175.10 174.73 2bl5 s ARG 44 N 3.94 3.61 0.00 2.72 0.52 0.11 -4.54 118.95 125.31 2bl5 s ARG 44 Ca 0.61 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 2bl5 s ARG 44 Cb -0.23 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.34 2bl5 s ARG 44 CO 0.21 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.13 2bl5 n GLY 45 N 3.69 0.95 3.58 -3.53 0.00 0.33 0.80 105.19 111.01 2bl5 n GLY 45 Ca -0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2bl5 n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bl5 s LYS 46 N -1.87 3.36 0.00 1.61 -2.85 -1.02 -3.60 119.74 115.37 2bl5 s LYS 46 Ca 0.00 0.41 0.00 0.00 -1.00 0.00 0.00 55.97 55.38 2bl5 s LYS 46 Cb 0.00 -4.10 0.00 0.00 -2.06 0.00 0.00 37.83 31.67 2bl5 s LYS 46 CO 0.00 -1.87 0.00 0.41 0.10 0.00 0.00 175.35 173.99 2bl5 n GLY 47 N 5.21 1.39 0.03 0.59 0.00 -1.26 -4.79 105.19 106.36 2bl5 n GLY 47 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.16 1.61 0.87 -1.80 -3.42 113.55 110.66 2bl5 h SER 48 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2bl5 h SER 48 Cb 0.00 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 61.77 2bl5 h SER 48 CO 0.00 0.35 -0.73 0.23 -0.53 0.00 0.00 176.83 176.16 2bl5 n MET 49 N -3.83 1.57 0.00 2.24 2.81 -1.26 -4.91 117.12 113.74 2bl5 n MET 49 Ca -0.01 -3.16 0.00 0.00 -1.81 0.00 0.00 57.70 52.72 2bl5 n MET 49 Cb 0.03 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 2bl5 n MET 49 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2bl5 n ARG 50 N -0.63 0.24 -2.42 0.03 1.74 -1.26 -4.56 116.66 109.79 2bl5 n ARG 50 Ca 0.19 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.90 2bl5 n ARG 50 Cb 0.85 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.99 2bl5 n ARG 50 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2bl5 s ASP 51 N 0.30 6.54 0.38 0.55 -1.08 -1.26 -4.89 116.67 117.21 2bl5 s ASP 51 Ca 0.00 2.16 0.12 0.00 -0.52 0.00 0.00 52.55 54.31 2bl5 s ASP 51 Cb 0.00 -2.59 0.91 0.00 -1.46 0.00 0.00 42.92 39.78 2bl5 s ASP 51 CO 0.00 -0.65 1.87 0.11 0.52 0.00 0.00 175.17 177.02 2bl5 h LYS 52 N 2.38 0.57 -0.45 4.34 1.57 -2.00 -0.50 116.57 122.48 2bl5 h LYS 52 Ca -0.49 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.16 2bl5 h LYS 52 Cb 1.23 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2bl5 h LYS 52 CO 0.62 0.38 -0.11 1.57 -0.57 0.00 0.00 179.45 181.34 2bl5 h LYS 53 N 0.59 0.82 0.00 3.15 2.10 -1.92 -2.33 116.57 118.97 2bl5 h LYS 53 Ca 0.45 -0.28 -0.20 0.00 -2.00 0.00 0.00 60.65 58.62 2bl5 h LYS 53 Cb 0.85 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.09 2bl5 h LYS 53 CO -0.20 0.89 -0.96 0.87 -2.00 0.00 0.00 179.45 178.05 2bl5 h LYS 54 N 0.74 0.00 0.00 0.07 1.57 -1.35 -2.71 116.57 114.89 2bl5 h LYS 54 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2bl5 h LYS 54 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2bl5 h LYS 54 CO 0.04 0.94 -0.08 1.05 -0.57 0.00 0.00 179.45 180.83 2bl5 h GLU 55 N 0.00 0.00 0.26 3.15 4.11 -1.34 0.59 114.58 121.35 2bl5 h GLU 55 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2bl5 h GLU 55 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 2bl5 h GLU 55 CO 0.12 0.08 -0.12 0.93 0.07 0.00 0.00 179.01 180.09 2bl5 h GLU 56 N 0.00 -0.33 0.00 1.06 5.08 -1.12 -3.37 114.58 115.90 2bl5 h GLU 56 Ca -0.00 0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 2bl5 h GLU 56 Cb 0.75 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2bl5 h GLU 56 CO 0.01 -0.22 -1.93 0.00 -1.00 0.00 0.00 179.01 175.86 2bl5 n GLN 57 N -3.70 1.10 -0.03 2.33 10.64 -1.05 -4.39 117.38 122.28 2bl5 n GLN 57 Ca -0.04 0.05 0.12 0.00 -1.83 0.00 0.00 57.00 55.29 2bl5 n GLN 57 Cb 0.14 -1.34 0.52 0.00 -0.86 0.00 0.00 30.24 28.70 2bl5 n GLN 57 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2bl5 n ASN 58 N -2.75 1.02 -4.52 2.61 4.05 -0.00 -4.91 115.26 110.75 2bl5 n ASN 58 Ca -0.26 -1.51 -0.41 0.00 0.45 0.00 0.00 54.58 52.85 2bl5 n ASN 58 Cb 0.87 -0.04 0.01 0.00 1.23 0.00 0.00 39.78 41.85 2bl5 n ASN 58 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 2bl5 n ARG 59 N -0.14 0.88 0.00 1.20 1.85 0.19 -2.16 116.66 118.47 2bl5 n ARG 59 Ca 0.17 0.32 0.00 0.00 -1.00 0.00 0.00 57.85 57.34 2bl5 n ARG 59 Cb 0.24 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 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 1.53 2.71 3.89 2.89 0.00 -1.26 -5.02 105.19 109.93 2bl5 n GLY 60 Ca 0.11 0.00 -0.29 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 -0.10 2.63 0.15 1.61 3.01 -0.92 -4.45 119.74 121.66 2bl5 s LYS 61 Ca 0.00 0.29 0.12 0.00 -1.01 0.00 0.00 55.97 55.37 2bl5 s LYS 61 Cb 0.00 -2.04 0.51 0.00 -1.01 0.00 0.00 37.83 35.29 2bl5 s LYS 61 CO 0.00 -1.14 0.52 -2.30 0.51 0.00 0.00 175.35 172.94 2bl5 n PRO 62 N -3.02 -0.01 -0.09 -1.68 -0.02 -1.26 0.12 135.00 129.03 2bl5 n PRO 62 Ca 0.07 0.41 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2bl5 n PRO 62 Cb 0.58 -0.83 0.10 0.00 -0.02 0.00 0.00 33.50 33.33 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 0.79 0.89 2.55 2.35 -1.91 0.30 115.58 120.55 2bl5 h ASN 63 Ca 0.30 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2bl5 h ASN 63 Cb 1.01 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 2bl5 h ASN 63 CO -0.13 0.97 -1.12 0.79 -1.65 0.00 0.00 177.43 176.29 2bl5 n TRP 64 N -4.13 0.88 0.46 1.19 7.02 0.31 -1.75 117.44 121.43 2bl5 n TRP 64 Ca 0.00 0.26 -0.20 0.00 -1.02 0.00 0.00 57.50 56.55 2bl5 n TRP 64 Cb 0.42 -0.92 -0.10 0.00 -2.42 0.00 0.00 31.31 28.29 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 -1.13 -0.03 -0.99 4.81 -0.41 -3.04 114.58 113.80 2bl5 h GLU 65 Ca -0.01 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2bl5 h GLU 65 Cb 1.03 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2bl5 h GLU 65 CO 0.00 -0.75 0.00 -2.39 -0.73 0.00 0.00 179.01 175.14 2bl5 n HIS 66 N -5.60 0.02 0.31 0.92 1.44 0.10 -3.12 115.22 109.30 2bl5 n HIS 66 Ca -0.15 -0.01 0.20 0.00 -2.01 0.00 0.00 57.72 55.75 2bl5 n HIS 66 Cb 0.47 0.00 1.01 0.00 0.12 0.00 0.00 29.99 31.59 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 1.25 0.00 -1.00 2.39 7.12 -1.22 0.14 115.31 123.99 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 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 2bl5 h LEU 67 CO 0.00 0.00 0.00 0.59 -0.13 0.00 0.00 178.44 178.90 2bl5 n ASN 68 N -2.99 1.47 -4.79 1.25 3.02 -1.18 -3.96 115.26 108.08 2bl5 n ASN 68 Ca -0.02 -1.85 -0.23 0.00 -0.03 0.00 0.00 54.58 52.46 2bl5 n ASN 68 Cb 0.13 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.71 2.41 0.20 3.52 2.02 -0.36 -5.04 118.70 119.75 2bl5 s GLU 69 Ca 0.25 -1.60 -0.18 0.00 0.02 0.00 0.00 54.97 53.46 2bl5 s GLU 69 Cb 0.13 -2.21 -0.08 0.00 0.10 0.00 0.00 34.13 32.07 2bl5 s GLU 69 CO 0.19 -0.04 0.66 0.34 0.02 0.00 0.00 175.26 176.43 2bl5 s ASP 70 N -3.96 6.97 -0.18 -0.19 2.15 -1.26 -2.43 116.67 117.76 2bl5 s ASP 70 Ca 0.42 1.30 -0.37 0.00 0.43 0.00 0.00 52.55 54.33 2bl5 s ASP 70 Cb -0.01 -2.37 -0.13 0.00 -0.30 0.00 0.00 42.92 40.10 2bl5 s ASP 70 CO 0.24 0.05 1.84 -0.11 -0.17 0.00 0.00 175.17 177.02 2bl5 n LEU 71 N 0.72 2.98 -3.97 -1.34 7.94 -1.26 -4.33 117.00 117.74 2bl5 n LEU 71 Ca -0.03 1.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.77 2bl5 n LEU 71 Cb 0.51 -1.27 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 2bl5 n LEU 71 CO 0.43 -0.22 -0.07 -1.38 -1.11 0.00 0.00 177.39 175.04 2bl5 s HIS 72 N 3.98 0.42 -0.23 1.96 -3.43 0.24 -2.36 115.29 115.87 2bl5 s HIS 72 Ca 0.96 -0.79 -0.08 0.00 -0.80 0.00 0.00 55.06 54.35 2bl5 s HIS 72 Cb -0.86 -0.11 -0.03 0.00 -1.43 0.00 0.00 32.58 30.15 2bl5 s HIS 72 CO 0.58 -0.67 0.08 0.14 -2.00 0.00 0.00 174.74 172.87 2bl5 s VAL 73 N -3.96 4.52 -0.16 -5.38 -7.23 -0.33 0.08 120.40 107.95 2bl5 s VAL 73 Ca 0.16 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2bl5 s VAL 73 Cb 0.04 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.91 2bl5 s VAL 73 CO -0.02 0.37 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.78 2bl5 s LEU 74 N 1.25 1.83 -0.47 1.32 0.20 -0.80 0.04 118.68 122.05 2bl5 s LEU 74 Ca 0.05 -0.57 -0.27 0.00 0.69 0.00 0.00 54.13 54.03 2bl5 s LEU 74 Cb -0.14 -1.22 0.03 0.00 -0.43 0.00 0.00 46.19 44.43 2bl5 s LEU 74 CO 0.04 -0.07 0.99 0.27 -0.29 0.00 0.00 176.35 177.29 2bl5 s ILE 75 N 1.45 4.39 -0.36 6.68 -4.36 -0.46 -0.67 121.20 127.87 2bl5 s ILE 75 Ca 0.04 0.90 -0.12 0.00 -0.26 0.00 0.00 60.65 61.20 2bl5 s ILE 75 Cb -0.13 -4.49 0.00 0.00 1.25 0.00 0.00 42.46 39.09 2bl5 s ILE 75 CO -0.11 -0.89 0.23 -0.89 0.24 0.00 0.00 174.94 173.52 2bl5 s THR 76 N 3.98 4.96 -0.21 8.37 2.01 -1.03 -1.61 115.64 132.12 2bl5 s THR 76 Ca 0.40 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2bl5 s THR 76 Cb -0.09 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.79 2bl5 s THR 76 CO 0.28 -0.12 -0.14 0.54 -0.69 0.00 0.00 174.62 174.50 2bl5 s VAL 77 N 1.65 2.41 -0.99 3.82 0.11 -0.19 -0.95 120.40 126.26 2bl5 s VAL 77 Ca 0.05 -1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 57.91 2bl5 s VAL 77 Cb -0.18 -2.14 0.15 0.00 -1.53 0.00 0.00 36.38 32.68 2bl5 s VAL 77 CO 0.09 0.36 1.18 -1.61 -3.33 0.00 0.00 175.10 171.78 2bl5 s GLU 78 N 1.29 3.72 0.00 1.54 2.02 -1.26 -1.40 118.70 124.61 2bl5 s GLU 78 Ca 0.02 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 52.99 2bl5 s GLU 78 Cb -0.15 -4.92 0.00 0.00 0.10 0.00 0.00 34.13 29.16 2bl5 s GLU 78 CO -0.09 -1.73 0.00 -3.47 0.02 0.00 0.00 175.26 169.99 2bl5 n ASP 79 N 6.13 0.00 -1.12 -0.19 -0.08 -1.26 -5.04 116.55 114.98 2bl5 n ASP 79 Ca 0.26 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.66 2bl5 n ASP 79 Cb 0.47 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.18 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 -0.38 2.42 -2.49 -1.67 0.00 -1.26 -4.62 120.51 112.51 2bl5 n ALA 80 Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 53.44 52.11 2bl5 n ALA 80 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.45 3.82 0.39 0.00 1.11 -1.26 -4.98 119.66 117.29 2bl5 s GLN 81 Ca 0.39 0.27 0.07 0.00 0.01 0.00 0.00 55.36 56.11 2bl5 s GLN 81 Cb 0.23 -2.92 0.79 0.00 -1.01 0.00 0.00 33.01 30.09 2bl5 s GLN 81 CO 0.31 0.50 1.98 -0.97 0.01 0.00 0.00 175.29 177.11 2bl5 h ASN 82 N 3.45 0.39 -0.69 5.90 -1.24 -1.99 -2.21 115.58 119.19 2bl5 h ASN 82 Ca -0.48 -0.04 0.02 0.00 0.71 0.00 0.00 56.30 56.50 2bl5 h ASN 82 Cb 1.19 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 40.10 2bl5 h ASN 82 CO 0.67 0.40 0.46 0.03 -1.29 0.00 0.00 177.43 177.69 2bl5 h ARG 83 N 0.43 0.87 0.26 6.67 2.47 -1.98 0.39 114.38 123.48 2bl5 h ARG 83 Ca 0.10 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2bl5 h ARG 83 Cb 0.16 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2bl5 h ARG 83 CO -0.00 0.58 -0.12 0.00 0.56 0.00 0.00 179.97 180.98 2bl5 h ALA 84 N 1.58 -0.35 -0.09 0.04 0.00 -1.74 -2.57 119.26 116.14 2bl5 h ALA 84 Ca 0.26 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2bl5 h ALA 84 Cb -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bl5 h ALA 84 CO -0.06 -0.45 -0.19 1.05 0.00 0.00 0.00 179.25 179.60 2bl5 h GLU 85 N -0.82 0.15 -0.28 0.00 4.11 -1.31 -1.19 114.58 115.22 2bl5 h GLU 85 Ca -0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 2bl5 h GLU 85 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2bl5 h GLU 85 CO 0.06 0.33 0.16 1.25 0.07 0.00 0.00 179.01 180.88 2bl5 h LEU 86 N 0.14 0.35 -0.42 3.06 5.85 -0.26 -0.91 115.31 123.12 2bl5 h LEU 86 Ca 0.03 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 2bl5 h LEU 86 Cb 0.41 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2bl5 h LEU 86 CO 0.03 0.32 -0.50 0.50 -0.34 0.00 0.00 178.44 178.45 2bl5 h LYS 87 N 0.35 0.75 -0.15 1.25 3.64 -0.95 -2.79 116.57 118.67 2bl5 h LYS 87 Ca 0.10 -0.45 -0.14 0.00 -1.27 0.00 0.00 60.65 58.89 2bl5 h LYS 87 Cb 0.05 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2bl5 h LYS 87 CO -0.02 1.08 -0.52 1.37 -2.27 0.00 0.00 179.45 179.10 2bl5 h LEU 88 N 0.59 0.45 -0.62 5.20 8.10 -1.19 -2.35 115.31 125.50 2bl5 h LEU 88 Ca 0.02 -0.23 -0.14 0.00 0.11 0.00 0.00 57.88 57.64 2bl5 h LEU 88 Cb 1.08 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 41.16 2bl5 h LEU 88 CO 0.11 0.88 -0.46 0.07 -4.11 0.00 0.00 178.44 174.93 2bl5 h LYS 89 N 0.32 0.55 -0.31 0.17 5.09 -1.07 0.40 116.57 121.73 2bl5 h LYS 89 Ca 0.01 -0.31 -0.17 0.00 0.09 0.00 0.00 60.65 60.28 2bl5 h LYS 89 Cb 1.02 0.02 -0.00 0.00 0.10 0.00 0.00 32.23 33.36 2bl5 h LYS 89 CO 0.09 0.90 -0.47 0.07 -2.09 0.00 0.00 179.45 177.95 2bl5 h ARG 90 N 0.45 0.84 0.12 0.07 0.11 -1.50 0.51 114.38 114.97 2bl5 h ARG 90 Ca 0.03 -0.48 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 2bl5 h ARG 90 Cb 0.97 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2bl5 h ARG 90 CO 0.09 1.12 -0.06 0.00 0.10 0.00 0.00 179.97 181.22 2bl5 h ALA 91 N 0.80 -0.17 0.00 0.08 0.00 -1.08 -2.22 119.26 116.68 2bl5 h ALA 91 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2bl5 h ALA 91 Cb 1.06 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bl5 h ALA 91 CO 0.11 -0.56 -0.16 -0.24 0.00 0.00 0.00 179.25 178.39 2bl5 h VAL 92 N -0.23 0.74 0.00 0.00 3.04 -0.19 -1.47 116.25 118.13 2bl5 h VAL 92 Ca -0.02 -0.65 -0.06 0.00 -1.01 0.00 0.00 66.70 64.96 2bl5 h VAL 92 Cb 0.18 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 2bl5 h VAL 92 CO 0.03 0.16 -0.28 -0.33 -1.01 0.00 0.00 177.57 176.13 2bl5 h GLU 93 N 0.00 0.00 -0.03 4.17 4.39 -0.30 0.53 114.58 123.34 2bl5 h GLU 93 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2bl5 h GLU 93 Cb 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2bl5 h GLU 93 CO 0.02 0.28 -0.63 1.05 -1.16 0.00 0.00 179.01 178.57 2bl5 h GLU 94 N 0.00 0.11 -0.90 2.33 4.11 -0.80 -1.41 114.58 118.02 2bl5 h GLU 94 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2bl5 h GLU 94 Cb 0.51 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2bl5 h GLU 94 CO 0.04 0.71 0.50 0.28 0.07 0.00 0.00 179.01 180.61 2bl5 h VAL 95 N 0.08 1.26 -0.61 -1.06 2.07 -1.02 -1.61 116.25 115.36 2bl5 h VAL 95 Ca -0.01 -0.61 0.14 0.00 0.82 0.00 0.00 66.70 67.03 2bl5 h VAL 95 Cb 1.13 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2bl5 h VAL 95 CO 0.09 0.28 0.42 0.11 0.02 0.00 0.00 177.57 178.49 2bl5 h LYS 96 N 1.25 0.23 -0.08 1.57 1.79 0.92 0.95 116.57 123.21 2bl5 h LYS 96 Ca 0.32 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.62 2bl5 h LYS 96 Cb 0.01 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2bl5 h LYS 96 CO -0.05 0.15 -0.63 -0.22 -1.08 0.00 0.00 179.45 177.62 2bl5 h LYS 97 N 0.24 0.28 0.10 3.15 1.63 -0.32 -3.33 116.57 118.32 2bl5 h LYS 97 Ca 0.29 -0.20 -0.37 0.00 -0.85 0.00 0.00 60.65 59.52 2bl5 h LYS 97 Cb 0.82 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.46 2bl5 h LYS 97 CO -0.06 0.82 -2.08 1.28 -3.45 0.00 0.00 179.45 175.96 2bl5 n LEU 98 N -3.86 2.58 0.00 5.20 4.32 0.02 -4.33 117.00 120.93 2bl5 n LEU 98 Ca -0.03 0.15 0.04 0.00 -0.02 0.00 0.00 56.01 56.15 2bl5 n LEU 98 Cb 0.64 -1.00 0.23 0.00 -1.62 0.00 0.00 43.42 41.67 2bl5 n LEU 98 CO 0.45 0.84 0.43 0.00 -1.22 0.00 0.00 177.39 177.90 2bl5 n LEU 99 N -3.41 0.00 -4.65 2.23 -0.00 0.31 -4.63 117.00 106.85 2bl5 n LEU 99 Ca -0.34 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.24 2bl5 n LEU 99 Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.44 2bl5 n LEU 99 CO 0.40 0.00 1.09 0.54 -0.00 0.00 0.00 177.39 179.42 2bl5 s VAL 100 N -2.00 4.26 -1.13 1.47 0.11 -1.25 -4.89 120.40 116.97 2bl5 s VAL 100 Ca 0.11 1.50 0.10 0.00 -2.93 0.00 0.00 61.98 60.77 2bl5 s VAL 100 Cb 0.05 -4.03 0.11 0.00 -1.53 0.00 0.00 36.38 30.98 2bl5 s VAL 100 CO 0.09 -0.20 1.28 -0.81 -3.33 0.00 0.00 175.10 172.13 2bl5 n PRO 101 N 6.74 0.04 0.00 1.54 -0.04 -1.26 -4.94 135.00 137.08 2bl5 n PRO 101 Ca 0.14 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2bl5 n PRO 101 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.44 0.00 -0.87 0.55 0.00 -1.26 -4.85 120.51 112.64 2bl5 n ALA 102 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2bl5 n ALA 102 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 7.02 0.00 -0.08 0.00 0.00 -1.26 -3.71 120.51 122.48 2bl5 n ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bl5 n ALA 103 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bl5 n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2bl5 n GLU 104 N 1.95 0.00 0.00 0.00 2.13 -1.26 -5.07 120.64 118.39 2bl5 n GLU 104 Ca 0.00 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2bl5 n GLU 104 Cb 0.00 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 30.61 2bl5 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bl5 n GLY 105 N 1.18 0.28 3.46 8.31 0.00 -1.24 -5.00 105.19 112.18 2bl5 n GLY 105 Ca 0.00 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 2bl5 n GLY 105 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bl5 n GLU 106 N 0.00 -2.22 0.00 1.61 0.28 -1.26 -4.88 120.64 114.17 2bl5 n GLU 106 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 2bl5 n GLU 106 Cb 0.00 -4.75 0.00 0.00 1.43 0.00 0.00 31.44 28.12 2bl5 n GLU 106 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2bl5 n ASP 107 N -2.05 0.00 0.19 -1.84 5.68 -1.26 -0.67 116.55 116.60 2bl5 n ASP 107 Ca 0.04 0.72 0.10 0.00 -0.50 0.00 0.00 54.79 55.15 2bl5 n ASP 107 Cb 0.49 -0.22 0.63 0.00 -1.14 0.00 0.00 41.12 40.89 2bl5 n ASP 107 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2bl5 h SER 108 N 0.00 0.04 0.22 -1.12 0.02 -1.97 0.72 113.55 111.45 2bl5 h SER 108 Ca 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2bl5 h SER 108 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2bl5 h SER 108 CO 0.00 0.03 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.54 2bl5 h LEU 109 N 0.04 -0.25 -0.01 5.07 3.38 -1.92 -0.90 115.31 120.71 2bl5 h LEU 109 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2bl5 h LEU 109 Cb 0.21 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2bl5 h LEU 109 CO -0.00 -0.02 -0.13 0.50 0.09 0.00 0.00 178.44 178.87 2bl5 h LYS 110 N -0.49 0.11 0.30 1.13 1.63 -0.58 -2.93 116.57 115.74 2bl5 h LYS 110 Ca -0.03 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 2bl5 h LYS 110 Cb 0.37 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2bl5 h LYS 110 CO 0.05 0.81 -0.18 -0.22 -3.45 0.00 0.00 179.45 176.46 2bl5 h LYS 111 N -0.55 -0.44 0.00 1.90 1.63 -0.93 -1.66 116.57 116.52 2bl5 h LYS 111 Ca -0.01 0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.64 2bl5 h LYS 111 Cb 0.85 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 2bl5 h LYS 111 CO 0.03 -0.29 -0.84 0.52 -3.45 0.00 0.00 179.45 175.41 2bl5 h MET 112 N -0.45 0.03 -0.06 1.90 2.86 -1.31 -2.37 114.93 115.52 2bl5 h MET 112 Ca -0.03 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.38 2bl5 h MET 112 Cb 0.37 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2bl5 h MET 112 CO 0.04 0.85 -0.76 -0.22 1.06 0.00 0.00 176.91 177.88 2bl5 h LYS 113 N 0.02 0.39 0.00 1.72 1.63 -1.47 -0.31 116.57 118.55 2bl5 h LYS 113 Ca -0.01 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2bl5 h LYS 113 Cb 1.48 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.18 2bl5 h LYS 113 CO 0.11 0.98 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.90 2bl5 h LEU 114 N 0.26 0.00 0.04 5.20 3.38 -1.28 -3.38 115.31 119.54 2bl5 h LEU 114 Ca -0.04 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.57 2bl5 h LEU 114 Cb 1.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2bl5 h LEU 114 CO 0.13 0.30 -2.09 0.80 0.09 0.00 0.00 178.44 177.67 2bl5 n MET 115 N -3.36 0.66 0.08 1.13 1.56 -0.93 -4.08 117.12 112.18 2bl5 n MET 115 Ca -0.02 0.29 0.08 0.00 -0.27 0.00 0.00 57.70 57.78 2bl5 n MET 115 Cb 0.06 -1.62 0.35 0.00 2.15 0.00 0.00 33.22 34.16 2bl5 n MET 115 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2bl5 n GLU 116 N -3.74 0.09 -0.10 2.12 -0.58 -1.00 -0.20 120.64 117.23 2bl5 n GLU 116 Ca -0.40 0.46 -0.12 0.00 -0.42 0.00 0.00 57.16 56.67 2bl5 n GLU 116 Cb 0.93 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 30.09 2bl5 n GLU 116 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2bl5 h LEU 117 N 0.00 0.94 0.10 -4.62 7.12 -1.19 -3.30 115.31 114.36 2bl5 h LEU 117 Ca 0.00 -0.43 -0.29 0.00 0.13 0.00 0.00 57.88 57.29 2bl5 h LEU 117 Cb 0.15 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.01 2bl5 h LEU 117 CO 0.00 1.21 -1.51 0.00 -0.13 0.00 0.00 178.44 178.01 2bl5 h ALA 118 N 0.83 0.24 0.00 1.25 0.00 -1.14 -3.48 119.26 116.95 2bl5 h ALA 118 Ca 0.06 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2bl5 h ALA 118 Cb 0.98 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2bl5 h ALA 118 CO 0.09 0.91 0.00 -0.89 0.00 0.00 0.00 179.25 179.36 2bl5 n ILE 119 N -3.90 0.00 -1.91 0.00 5.41 0.72 -4.84 119.36 114.84 2bl5 n ILE 119 Ca -0.27 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.18 2bl5 n ILE 119 Cb 0.90 0.00 0.21 0.00 -0.71 0.00 0.00 39.64 40.05 2bl5 n ILE 119 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2bl5 s LEU 120 N 0.00 2.68 0.00 1.39 2.01 -1.26 -4.90 118.68 118.60 2bl5 s LEU 120 Ca 0.00 0.16 0.05 0.00 0.01 0.00 0.00 54.13 54.35 2bl5 s LEU 120 Cb 0.00 -2.08 0.28 0.00 0.01 0.00 0.00 46.19 44.40 2bl5 s LEU 120 CO 0.00 -2.99 0.67 -0.46 1.01 0.00 0.00 176.35 174.59 2bl5 n ASN 121 N -3.91 0.00 0.00 2.29 2.04 -1.26 -4.84 115.26 109.58 2bl5 n ASN 121 Ca 0.17 -0.59 0.00 0.00 -0.44 0.00 0.00 54.58 53.72 2bl5 n ASN 121 Cb 0.59 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 2bl5 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2bl5 n GLY 122 N -0.18 1.71 0.34 4.83 0.00 -1.26 -4.58 105.19 106.05 2bl5 n GLY 122 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 1.03 -3.53 2.61 2.02 -2.01 -3.35 112.91 109.68 2bl5 h THR 123 Ca 0.00 -0.35 -0.64 0.00 0.77 0.00 0.00 66.41 66.19 2bl5 h THR 123 Cb 0.00 -0.08 -0.40 0.00 -1.74 0.00 0.00 68.15 65.93 2bl5 h THR 123 CO 0.00 0.19 -0.71 -0.31 0.37 0.00 0.00 175.52 175.05 2bl5 s TYR 124 N -6.04 3.28 -2.13 3.16 2.02 -1.26 -4.88 117.35 111.50 2bl5 s TYR 124 Ca -0.12 -2.81 0.28 0.00 -0.37 0.00 0.00 57.07 54.04 2bl5 s TYR 124 Cb 0.19 -2.68 1.00 0.00 -0.40 0.00 0.00 41.96 40.08 2bl5 s TYR 124 CO 0.80 -0.90 1.72 0.54 -1.57 0.00 0.00 175.55 176.14 2bl5 n ARG 125 N 4.13 1.24 0.08 -0.62 1.74 -1.26 -3.78 116.66 118.20 2bl5 n ARG 125 Ca 0.03 -0.68 -0.00 0.00 -0.77 0.00 0.00 57.85 56.43 2bl5 n ARG 125 Cb 0.40 -1.49 0.29 0.00 -1.02 0.00 0.00 32.46 30.65 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 1.65 0.30 0.10 0.55 5.19 -1.95 -2.09 116.42 120.17 2bl5 h ASP 126 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2bl5 h ASP 126 Cb 0.46 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2bl5 h ASP 126 CO 0.00 0.54 0.00 0.00 -3.12 0.00 0.00 179.24 176.66 2bl5 n ALA 127 N -2.48 2.13 -0.01 3.45 0.00 -1.25 0.15 120.51 122.50 2bl5 n ALA 127 Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 2bl5 n ALA 127 Cb 0.36 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.53 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 0.70 0.00 0.00 -1.24 -1.62 -3.36 115.58 110.06 2bl5 h ASN 128 Ca 0.00 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.62 2bl5 h ASN 128 Cb 0.05 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 38.90 2bl5 h ASN 128 CO 0.00 1.14 0.00 0.00 -1.29 0.00 0.00 177.43 177.28 2bl5 n LEU 129 N -3.95 0.23 0.00 0.34 -0.00 -1.06 -5.14 117.00 107.42 2bl5 n LEU 129 Ca -0.04 -0.41 0.01 0.00 -0.00 0.00 0.00 56.01 55.57 2bl5 n LEU 129 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 44.06 2bl5 n LEU 129 CO 0.48 0.06 -0.01 0.29 -0.00 0.00 0.00 177.39 178.21 2bl5 n LYS 130 N -0.36 -0.15 -2.58 1.47 5.02 0.12 -4.57 118.16 117.11 2bl5 n LYS 130 Ca 0.00 0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 2bl5 n LYS 130 Cb 0.04 -0.18 -0.02 0.00 -0.02 0.00 0.00 35.03 34.85 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 -4.13 6.67 -0.03 4.39 0.01 -1.26 -4.88 113.70 114.47 2bl5 s SER 131 Ca 0.00 0.65 0.02 0.00 1.31 0.00 0.00 55.95 57.93 2bl5 s SER 131 Cb 0.00 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.78 2bl5 s SER 131 CO 0.00 -1.18 0.65 -0.81 0.41 0.00 0.00 173.24 172.31 2bl5 n PRO 132 N 7.64 1.46 -2.12 12.44 -0.05 -1.26 -4.82 135.00 148.28 2bl5 n PRO 132 Ca 0.12 -0.37 -0.16 0.00 -0.05 0.00 0.00 63.50 63.04 2bl5 n PRO 132 Cb 0.48 -1.58 -0.02 0.00 -0.05 0.00 0.00 33.50 32.33 2bl5 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2bl5 n ALA 133 N 0.07 -0.42 0.00 0.55 0.00 -1.26 -4.79 120.51 114.67 2bl5 n ALA 133 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bl5 n ALA 133 Cb 0.36 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2bl5 n ALA 133 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2bl5 n LEU 134 N -2.17 -0.00 0.00 0.00 -0.00 -1.26 -5.34 117.00 108.22 2bl5 n LEU 134 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2bl5 n LEU 134 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2bl5 n LEU 134 CO 0.22 -0.45 0.00 1.41 -0.00 0.00 0.00 177.39 178.58