#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 2.59 -0.05 2.61 2.96 0.11 -4.95 118.68 121.95 2bl5 s LEU 2 Ca 0.00 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2bl5 s LEU 2 Cb 0.00 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.14 2bl5 s LEU 2 CO 0.00 0.24 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.97 2bl5 s GLN 3 N -0.09 2.04 -0.08 1.98 -0.21 -1.26 -0.73 119.66 121.31 2bl5 s GLN 3 Ca -0.03 -0.69 0.05 0.00 0.02 0.00 0.00 55.36 54.71 2bl5 s GLN 3 Cb -0.14 -1.74 -0.01 0.00 1.00 0.00 0.00 33.01 32.12 2bl5 s GLN 3 CO 0.04 0.27 -0.24 -1.21 -2.12 0.00 0.00 175.29 172.03 2bl5 s GLU 4 N 0.03 2.82 -0.23 2.91 2.02 -0.69 -4.98 118.70 120.59 2bl5 s GLU 4 Ca -0.05 -0.88 -0.01 0.00 0.02 0.00 0.00 54.97 54.06 2bl5 s GLU 4 Cb -0.13 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.87 2bl5 s GLU 4 CO 0.03 0.29 -0.10 0.15 0.02 0.00 0.00 175.26 175.65 2bl5 s LYS 5 N 0.07 2.86 -0.65 1.61 3.01 -1.26 -1.01 119.74 124.37 2bl5 s LYS 5 Ca -0.10 -0.94 -0.12 0.00 -1.01 0.00 0.00 55.97 53.79 2bl5 s LYS 5 Cb -0.16 -2.86 0.17 0.00 -1.01 0.00 0.00 37.83 33.97 2bl5 s LYS 5 CO 0.06 -0.35 0.57 -0.51 0.51 0.00 0.00 175.35 175.63 2bl5 s LEU 6 N 1.30 6.21 0.33 3.17 1.43 0.15 -4.95 118.68 126.32 2bl5 s LEU 6 Ca 0.01 -2.29 -0.28 0.00 -1.03 0.00 0.00 54.13 50.53 2bl5 s LEU 6 Cb -0.16 -2.13 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 2bl5 s LEU 6 CO -0.07 -0.66 1.22 -0.31 0.23 0.00 0.00 176.35 176.77 2bl5 s TYR 7 N 0.79 3.21 -0.16 0.29 1.51 -1.26 -2.09 117.35 119.64 2bl5 s TYR 7 Ca 0.11 1.52 -0.04 0.00 -1.01 0.00 0.00 57.07 57.65 2bl5 s TYR 7 Cb -0.20 -3.51 0.05 0.00 -0.11 0.00 0.00 41.96 38.19 2bl5 s TYR 7 CO -0.03 -1.38 0.07 0.54 -1.11 0.00 0.00 175.55 173.64 2bl5 s VAL 8 N -1.19 0.07 -0.80 0.71 0.11 -1.00 -4.95 120.40 113.35 2bl5 s VAL 8 Ca 0.49 -0.17 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 2bl5 s VAL 8 Cb -0.36 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2bl5 s VAL 8 CO 0.47 -0.18 1.80 -2.16 -3.33 0.00 0.00 175.10 171.69 2bl5 s PRO 9 N 2.07 2.75 0.51 1.54 0.04 -1.26 -4.37 135.00 136.29 2bl5 s PRO 9 Ca 0.02 -0.05 0.27 0.00 0.04 0.00 0.00 61.00 61.27 2bl5 s PRO 9 Cb -0.16 -4.77 1.39 0.00 0.04 0.00 0.00 34.50 31.00 2bl5 s PRO 9 CO -0.08 -2.90 2.04 -0.24 0.04 0.00 0.00 177.00 175.86 2bl5 h VAL 10 N 6.96 0.56 0.00 -0.36 3.04 -1.86 0.50 116.25 125.09 2bl5 h VAL 10 Ca -0.05 -0.60 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 2bl5 h VAL 10 Cb 1.07 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 2bl5 h VAL 10 CO 1.24 0.13 -0.26 0.07 -1.01 0.00 0.00 177.57 177.74 2bl5 h LYS 11 N 0.00 0.00 0.08 4.17 2.10 -1.96 -2.77 116.57 118.18 2bl5 h LYS 11 Ca -0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 2bl5 h LYS 11 Cb 0.38 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 2bl5 h LYS 11 CO 0.02 0.26 -1.12 0.93 -2.00 0.00 0.00 179.45 177.54 2bl5 h GLU 12 N 0.00 0.21 -3.14 0.07 4.39 -1.30 -3.39 114.58 111.41 2bl5 h GLU 12 Ca -0.00 -0.32 -0.62 0.00 0.34 0.00 0.00 59.36 58.75 2bl5 h GLU 12 Cb 0.48 0.12 -0.42 0.00 -0.10 0.00 0.00 28.75 28.83 2bl5 h GLU 12 CO 0.03 1.13 -0.59 0.71 -1.16 0.00 0.00 179.01 179.14 2bl5 s TYR 13 N -2.77 3.47 -0.46 4.33 1.51 -0.85 -4.92 117.35 117.66 2bl5 s TYR 13 Ca -0.03 -3.30 0.23 0.00 -1.01 0.00 0.00 57.07 52.97 2bl5 s TYR 13 Cb 0.08 -2.72 1.00 0.00 -0.11 0.00 0.00 41.96 40.21 2bl5 s TYR 13 CO 0.86 -0.59 1.70 -2.30 -1.11 0.00 0.00 175.55 174.11 2bl5 n PRO 14 N 2.22 0.19 -0.00 -1.71 -0.02 -1.20 -2.29 135.00 132.19 2bl5 n PRO 14 Ca 0.17 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 2bl5 n PRO 14 Cb 0.34 -1.88 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 2bl5 n PRO 14 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bl5 n ASP 15 N -2.24 0.83 -4.27 2.55 2.03 -1.26 -4.84 116.55 109.35 2bl5 n ASP 15 Ca 0.02 -0.73 -0.38 0.00 0.52 0.00 0.00 54.79 54.21 2bl5 n ASP 15 Cb 0.21 1.17 -0.12 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 -2.81 3.29 -0.60 -0.67 5.36 -0.97 -5.05 117.98 116.53 2bl5 s PHE 16 Ca 0.04 -1.46 -0.24 0.00 -0.96 0.00 0.00 56.93 54.31 2bl5 s PHE 16 Cb 0.13 -2.48 0.05 0.00 -0.34 0.00 0.00 43.02 40.38 2bl5 s PHE 16 CO 0.74 -0.76 1.00 0.54 -1.46 0.00 0.00 175.22 175.28 2bl5 s ASN 17 N 1.58 6.29 0.29 6.13 6.03 -1.26 -4.85 114.94 129.15 2bl5 s ASN 17 Ca 0.00 -0.49 0.01 0.00 -1.03 0.00 0.00 52.86 51.35 2bl5 s ASN 17 Cb -0.20 -2.45 0.46 0.00 -3.03 0.00 0.00 41.25 36.02 2bl5 s ASN 17 CO 0.03 -1.37 1.82 -0.26 -2.03 0.00 0.00 177.10 175.29 2bl5 h PHE 18 N 9.47 0.72 0.02 1.54 0.04 -1.95 0.45 116.94 127.23 2bl5 h PHE 18 Ca -0.27 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.42 2bl5 h PHE 18 Cb 1.07 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.01 2bl5 h PHE 18 CO 0.96 0.67 -0.01 0.28 -0.60 0.00 0.00 178.31 179.60 2bl5 h VAL 19 N 0.65 1.10 0.00 -0.55 2.07 -1.90 0.58 116.25 118.20 2bl5 h VAL 19 Ca 0.14 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2bl5 h VAL 19 Cb 0.37 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2bl5 h VAL 19 CO 0.01 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.31 2bl5 n GLY 20 N -0.67 -0.98 0.13 2.17 0.00 -0.82 0.57 105.19 105.59 2bl5 n GLY 20 Ca -0.08 0.09 -0.23 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 -2.02 0.65 -0.02 1.61 3.00 0.15 -3.42 116.66 116.61 2bl5 n ARG 21 Ca 0.01 0.33 -0.22 0.00 -0.00 0.00 0.00 57.85 57.98 2bl5 n ARG 21 Cb 0.12 -1.64 -0.13 0.00 0.00 0.00 0.00 32.46 30.81 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 -3.87 1.72 -0.11 5.15 2.08 0.20 -4.48 119.36 120.04 2bl5 n ILE 22 Ca -0.39 -0.48 -0.14 0.00 0.56 0.00 0.00 62.75 62.31 2bl5 n ILE 22 Cb 0.90 -1.83 -0.14 0.00 -0.75 0.00 0.00 39.64 37.82 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 -3.76 1.46 0.00 1.39 4.32 0.18 -2.55 117.00 118.03 2bl5 n LEU 23 Ca -0.32 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 2bl5 n LEU 23 Cb 0.94 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 2bl5 n LEU 23 CO 0.36 0.70 0.21 0.61 -1.22 0.00 0.00 177.39 178.06 2bl5 n GLY 24 N 2.03 -3.15 0.13 -0.72 0.00 0.19 -1.21 105.19 102.46 2bl5 n GLY 24 Ca -0.38 0.67 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 2bl5 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bl5 h PRO 25 N 0.00 0.22 -0.42 1.61 0.13 -1.84 -3.40 132.00 128.30 2bl5 h PRO 25 Ca 0.00 -0.38 -0.29 0.00 -0.87 0.00 0.00 66.00 64.46 2bl5 h PRO 25 Cb 0.00 0.14 -0.22 0.00 0.13 0.00 0.00 31.00 31.05 2bl5 h PRO 25 CO 0.00 1.08 -0.54 0.54 -0.23 0.00 0.00 178.00 178.85 2bl5 n ARG 26 N -3.40 2.57 0.16 0.86 1.74 -1.25 -4.70 116.66 112.63 2bl5 n ARG 26 Ca -0.29 -3.68 0.09 0.00 -0.77 0.00 0.00 57.85 53.20 2bl5 n ARG 26 Cb 1.05 -1.97 0.48 0.00 -1.02 0.00 0.00 32.46 31.00 2bl5 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bl5 n GLY 27 N -0.93 -0.75 0.43 -0.13 0.00 -0.35 -0.97 105.19 102.49 2bl5 n GLY 27 Ca 0.34 0.16 0.24 0.00 0.00 0.00 0.00 46.02 46.76 2bl5 n GLY 27 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bl5 h LEU 28 N 0.00 0.00 -0.60 0.99 -0.00 -1.83 -1.02 115.31 112.85 2bl5 h LEU 28 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2bl5 h LEU 28 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.86 2bl5 h LEU 28 CO 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 178.44 178.83 2bl5 h THR 29 N 0.00 1.14 -0.48 0.22 1.03 -1.35 0.25 112.91 113.72 2bl5 h THR 29 Ca 0.32 -0.27 -0.12 0.00 -0.01 0.00 0.00 66.41 66.33 2bl5 h THR 29 Cb 1.41 0.28 -0.02 0.00 -1.07 0.00 0.00 68.15 68.75 2bl5 h THR 29 CO -0.00 0.14 -0.16 0.00 -0.01 0.00 0.00 175.52 175.49 2bl5 h ALA 30 N 1.23 0.81 -0.65 0.00 0.00 -1.42 -2.03 119.26 117.21 2bl5 h ALA 30 Ca 0.22 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2bl5 h ALA 30 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2bl5 h ALA 30 CO -0.06 0.65 0.23 0.87 0.00 0.00 0.00 179.25 180.95 2bl5 h LYS 31 N 0.82 0.96 -0.06 0.00 1.57 -1.17 -2.41 116.57 116.28 2bl5 h LYS 31 Ca 0.12 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2bl5 h LYS 31 Cb 0.70 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2bl5 h LYS 31 CO 0.05 0.81 -0.54 1.96 -0.57 0.00 0.00 179.45 181.16 2bl5 h GLN 32 N 0.94 0.18 -0.34 3.15 1.08 -0.12 -2.21 115.11 117.79 2bl5 h GLN 32 Ca 0.22 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2bl5 h GLN 32 Cb 0.22 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2bl5 h GLN 32 CO -0.01 0.67 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.41 2bl5 h LEU 33 N 0.14 0.64 -0.70 1.46 3.38 -0.89 0.29 115.31 119.64 2bl5 h LEU 33 Ca 0.00 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.49 2bl5 h LEU 33 Cb 1.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2bl5 h LEU 33 CO 0.08 0.84 -0.46 1.05 0.09 0.00 0.00 178.44 180.04 2bl5 h GLU 34 N 0.44 0.44 -0.41 1.13 4.11 -1.10 0.48 114.58 119.67 2bl5 h GLU 34 Ca 0.09 -0.24 -0.08 0.00 0.07 0.00 0.00 59.36 59.19 2bl5 h GLU 34 Cb 0.55 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2bl5 h GLU 34 CO 0.03 0.82 -0.07 0.00 0.07 0.00 0.00 179.01 179.86 2bl5 h ALA 35 N 1.15 0.56 0.00 1.06 0.00 -1.18 -3.11 119.26 117.73 2bl5 h ALA 35 Ca 0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2bl5 h ALA 35 Cb 0.95 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2bl5 h ALA 35 CO 0.08 0.40 -1.47 0.39 0.00 0.00 0.00 179.25 178.65 2bl5 n GLU 36 N -4.36 0.55 0.21 0.00 -0.58 0.99 -4.49 120.64 112.97 2bl5 n GLU 36 Ca -0.01 0.47 0.12 0.00 -0.42 0.00 0.00 57.16 57.32 2bl5 n GLU 36 Cb 0.34 -1.65 0.21 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.00 0.00 2.62 1.35 -0.20 -3.46 112.91 112.21 2bl5 h THR 37 Ca -0.37 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2bl5 h THR 37 Cb 1.25 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2bl5 h THR 37 CO -0.22 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.66 2bl5 n GLY 38 N 1.07 1.43 3.57 5.82 0.00 -1.17 -4.79 105.19 111.11 2bl5 n GLY 38 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 1.80 3.29 -0.52 0.00 -2.85 0.13 -1.98 119.74 119.61 2bl5 s LYS 40 Ca 0.08 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 53.90 2bl5 s LYS 40 Cb -0.17 -4.51 0.03 0.00 -2.06 0.00 0.00 37.83 31.12 2bl5 s LYS 40 CO 0.11 -1.97 1.22 -1.50 0.10 0.00 0.00 175.35 173.31 2bl5 s ILE 41 N 4.47 4.06 -0.16 3.79 2.07 -1.26 -2.56 121.20 131.60 2bl5 s ILE 41 Ca 0.31 1.01 -0.06 0.00 -1.41 0.00 0.00 60.65 60.51 2bl5 s ILE 41 Cb -0.10 -4.59 -0.04 0.00 0.13 0.00 0.00 42.46 37.86 2bl5 s ILE 41 CO 0.05 -1.13 0.04 0.00 -1.91 0.00 0.00 174.94 171.99 2bl5 s MET 42 N 4.81 3.74 -0.01 3.50 0.23 0.13 -4.87 119.30 126.84 2bl5 s MET 42 Ca 0.48 -0.37 -0.30 0.00 -1.03 0.00 0.00 55.69 54.47 2bl5 s MET 42 Cb -0.08 -3.09 -0.03 0.00 -1.53 0.00 0.00 34.83 30.10 2bl5 s MET 42 CO 0.29 0.36 0.99 0.08 -2.03 0.00 0.00 175.02 174.72 2bl5 s VAL 43 N 0.09 4.82 0.47 5.16 1.01 -1.26 -1.31 120.40 129.38 2bl5 s VAL 43 Ca 0.04 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.09 2bl5 s VAL 43 Cb -0.12 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2bl5 s VAL 43 CO 0.01 0.14 0.07 -0.13 0.00 0.00 0.00 175.10 175.19 2bl5 s ARG 44 N 1.10 2.13 0.87 2.72 0.52 0.12 -4.69 118.95 121.72 2bl5 s ARG 44 Ca 0.52 -2.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 2bl5 s ARG 44 Cb -0.21 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.58 2bl5 s ARG 44 CO 0.27 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.75 2bl5 n GLY 45 N -1.22 -1.76 3.56 -3.53 0.00 0.01 0.20 105.19 102.45 2bl5 n GLY 45 Ca -0.11 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 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 1.82 0.00 1.61 2.47 -1.21 -3.78 119.74 120.65 2bl5 s LYS 46 Ca 0.00 0.55 0.00 0.00 -1.56 0.00 0.00 55.97 54.96 2bl5 s LYS 46 Cb 0.00 -4.77 0.00 0.00 -1.46 0.00 0.00 37.83 31.60 2bl5 s LYS 46 CO 0.00 -4.10 0.00 0.41 0.16 0.00 0.00 175.35 171.82 2bl5 n GLY 47 N 6.66 0.71 0.07 5.54 0.00 -1.26 -4.79 105.19 112.11 2bl5 n GLY 47 Ca 0.44 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 2bl5 n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bl5 h SER 48 N 0.00 -0.07 -0.24 1.61 0.02 -1.84 -3.40 113.55 109.64 2bl5 h SER 48 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 2bl5 h SER 48 Cb 0.65 0.02 -0.20 0.00 0.14 0.00 0.00 62.40 63.01 2bl5 h SER 48 CO 0.00 0.31 -0.70 1.15 -1.14 0.00 0.00 176.83 176.45 2bl5 n MET 49 N -4.21 1.97 0.00 3.45 0.00 -1.26 -4.89 117.12 112.18 2bl5 n MET 49 Ca -0.01 -3.40 0.00 0.00 0.00 0.00 0.00 57.70 54.29 2bl5 n MET 49 Cb 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 31.65 2bl5 n MET 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2bl5 n ARG 50 N -0.77 0.19 -1.59 3.17 0.63 -1.26 -4.74 116.66 112.29 2bl5 n ARG 50 Ca 0.24 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.76 2bl5 n ARG 50 Cb 0.83 -1.35 0.02 0.00 0.45 0.00 0.00 32.46 32.41 2bl5 n ARG 50 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2bl5 n ASP 51 N 0.81 0.90 0.23 6.15 8.00 -1.26 -4.79 116.55 126.59 2bl5 n ASP 51 Ca 0.00 0.98 0.08 0.00 0.71 0.00 0.00 54.79 56.57 2bl5 n ASP 51 Cb 0.08 -1.33 0.55 0.00 -0.02 0.00 0.00 41.12 40.41 2bl5 n ASP 51 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2bl5 h LYS 52 N 1.29 0.00 -0.36 -1.24 1.57 -1.99 0.33 116.57 116.17 2bl5 h LYS 52 Ca -0.45 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 2bl5 h LYS 52 Cb 1.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 2bl5 h LYS 52 CO 0.55 0.22 -0.09 1.57 -0.57 0.00 0.00 179.45 181.13 2bl5 h LYS 53 N 0.00 0.62 -0.05 3.15 2.10 -1.95 -2.48 116.57 117.96 2bl5 h LYS 53 Ca -0.00 -0.18 -0.01 0.00 -2.00 0.00 0.00 60.65 58.45 2bl5 h LYS 53 Cb 0.50 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2bl5 h LYS 53 CO 0.03 0.71 -0.02 0.87 -2.00 0.00 0.00 179.45 179.04 2bl5 h LYS 54 N 0.57 0.10 0.00 0.07 6.56 -1.27 -2.79 116.57 119.81 2bl5 h LYS 54 Ca 0.11 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2bl5 h LYS 54 Cb 0.50 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 2bl5 h LYS 54 CO 0.03 0.47 -0.00 1.05 -2.06 0.00 0.00 179.45 178.94 2bl5 h GLU 55 N -0.28 0.00 0.21 3.15 4.11 -1.12 1.04 114.58 121.69 2bl5 h GLU 55 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2bl5 h GLU 55 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2bl5 h GLU 55 CO 0.01 0.00 -0.10 0.93 0.07 0.00 0.00 179.01 179.92 2bl5 h GLU 56 N 0.00 -0.27 0.00 1.06 5.08 -1.21 -3.36 114.58 115.87 2bl5 h GLU 56 Ca -0.00 0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 2bl5 h GLU 56 Cb 0.00 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2bl5 h GLU 56 CO 0.00 -0.18 -1.96 0.00 -1.00 0.00 0.00 179.01 175.87 2bl5 n GLN 57 N -4.31 1.43 -0.42 2.33 -0.00 -0.97 -4.41 117.38 111.03 2bl5 n GLN 57 Ca -0.03 -0.03 0.08 0.00 -0.00 0.00 0.00 57.00 57.02 2bl5 n GLN 57 Cb 0.11 -1.38 0.27 0.00 -0.00 0.00 0.00 30.24 29.25 2bl5 n GLN 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2bl5 n ASN 58 N -2.47 3.95 -4.73 2.61 2.85 0.32 -4.99 115.26 112.81 2bl5 n ASN 58 Ca -0.21 -2.37 -0.41 0.00 -0.11 0.00 0.00 54.58 51.48 2bl5 n ASN 58 Cb 0.89 -0.45 0.01 0.00 1.24 0.00 0.00 39.78 41.47 2bl5 n ASN 58 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2bl5 n ARG 59 N 0.67 2.11 -0.94 1.20 1.85 0.11 -2.03 116.66 119.63 2bl5 n ARG 59 Ca 0.20 0.75 0.00 0.00 -1.00 0.00 0.00 57.85 57.80 2bl5 n ARG 59 Cb 0.72 -2.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.64 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 0.70 0.94 3.98 2.89 0.00 -1.26 -5.03 105.19 107.41 2bl5 n GLY 60 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 2.66 0.16 1.61 3.01 -0.86 -4.70 119.74 121.56 2bl5 s LYS 61 Ca 0.00 -0.82 0.14 0.00 -1.01 0.00 0.00 55.97 54.28 2bl5 s LYS 61 Cb 0.00 -2.54 0.52 0.00 -1.01 0.00 0.00 37.83 34.80 2bl5 s LYS 61 CO 0.00 -0.58 0.51 -2.30 0.51 0.00 0.00 175.35 173.49 2bl5 n PRO 62 N -2.22 -0.01 -0.07 -1.68 -0.02 -1.26 0.65 135.00 130.39 2bl5 n PRO 62 Ca 0.07 0.38 -0.04 0.00 -2.02 0.00 0.00 63.50 61.89 2bl5 n PRO 62 Cb 0.59 -0.81 0.19 0.00 -0.02 0.00 0.00 33.50 33.46 2bl5 n PRO 62 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2bl5 h ASN 63 N 0.00 0.66 0.51 2.55 -0.00 -1.92 0.16 115.58 117.54 2bl5 h ASN 63 Ca 0.30 -0.17 -0.29 0.00 -0.00 0.00 0.00 56.30 56.14 2bl5 h ASN 63 Cb 1.08 -0.18 -0.05 0.00 -0.00 0.00 0.00 38.32 39.17 2bl5 h ASN 63 CO -0.08 0.77 -1.68 -0.50 -0.00 0.00 0.00 177.43 175.95 2bl5 h TRP 64 N 0.64 0.01 -0.38 4.14 4.06 -0.12 -2.80 115.95 121.49 2bl5 h TRP 64 Ca 0.12 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.14 2bl5 h TRP 64 Cb 0.48 -0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.56 2bl5 h TRP 64 CO 0.02 1.01 -0.14 1.49 -3.56 0.00 0.00 178.44 177.27 2bl5 h GLU 65 N 0.00 -0.06 -0.03 0.49 4.81 -0.56 -2.40 114.58 116.84 2bl5 h GLU 65 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2bl5 h GLU 65 Cb 2.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.40 2bl5 h GLU 65 CO 0.08 -0.04 -0.02 -2.39 -0.73 0.00 0.00 179.01 175.92 2bl5 n HIS 66 N -5.33 0.00 0.31 0.92 1.44 -0.03 -4.07 115.22 108.45 2bl5 n HIS 66 Ca 0.02 0.00 0.17 0.00 -2.01 0.00 0.00 57.72 55.90 2bl5 n HIS 66 Cb 0.24 -0.00 0.70 0.00 0.12 0.00 0.00 29.99 31.05 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 4.32 0.00 -1.17 2.39 6.46 -1.14 0.57 115.31 126.74 2bl5 h LEU 67 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2bl5 h LEU 67 Cb 0.93 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2bl5 h LEU 67 CO 0.00 0.00 0.00 -0.46 -0.62 0.00 0.00 178.44 177.36 2bl5 n ASN 68 N -2.90 1.73 -4.27 1.25 0.23 -1.24 -4.22 115.26 105.84 2bl5 n ASN 68 Ca 0.00 -1.85 -0.16 0.00 -0.53 0.00 0.00 54.58 52.04 2bl5 n ASN 68 Cb 0.26 -0.17 0.04 0.00 -2.08 0.00 0.00 39.78 37.84 2bl5 n ASN 68 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2bl5 n GLU 69 N 0.40 0.72 -3.46 -3.83 1.02 -0.15 -5.06 120.64 110.27 2bl5 n GLU 69 Ca 0.14 -2.47 -0.35 0.00 -0.02 0.00 0.00 57.16 54.45 2bl5 n GLU 69 Cb 0.30 -0.11 -0.06 0.00 -0.02 0.00 0.00 31.44 31.56 2bl5 n GLU 69 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bl5 s ASP 70 N -3.75 6.75 -0.29 1.62 2.15 -1.26 -3.30 116.67 118.59 2bl5 s ASP 70 Ca 0.44 0.95 -0.35 0.00 0.43 0.00 0.00 52.55 54.01 2bl5 s ASP 70 Cb -0.03 -2.24 -0.12 0.00 -0.30 0.00 0.00 42.92 40.23 2bl5 s ASP 70 CO 0.28 0.16 2.08 -0.11 -0.17 0.00 0.00 175.17 177.41 2bl5 n LEU 71 N 0.99 2.48 -3.98 -1.34 0.00 -1.26 -3.60 117.00 110.29 2bl5 n LEU 71 Ca -0.08 0.58 -0.10 0.00 0.00 0.00 0.00 56.01 56.42 2bl5 n LEU 71 Cb 0.52 -1.29 -0.07 0.00 0.00 0.00 0.00 43.42 42.58 2bl5 n LEU 71 CO 0.42 -0.57 -0.03 -1.38 0.00 0.00 0.00 177.39 175.82 2bl5 s HIS 72 N 6.34 0.45 -0.12 1.96 -3.43 0.13 -2.36 115.29 118.25 2bl5 s HIS 72 Ca 1.05 -0.81 -0.04 0.00 -0.80 0.00 0.00 55.06 54.45 2bl5 s HIS 72 Cb -0.82 -0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.21 2bl5 s HIS 72 CO 0.51 -0.72 0.03 0.14 -2.00 0.00 0.00 174.74 172.70 2bl5 s VAL 73 N -3.98 4.54 -0.16 -5.38 -7.23 -0.89 0.13 120.40 107.43 2bl5 s VAL 73 Ca 0.19 -0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.20 2bl5 s VAL 73 Cb 0.03 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 34.06 2bl5 s VAL 73 CO 0.01 0.56 -0.02 -0.22 -0.31 0.00 0.00 175.10 175.12 2bl5 s LEU 74 N -0.45 1.35 -0.48 1.32 0.20 -0.43 0.33 118.68 120.53 2bl5 s LEU 74 Ca 0.09 -0.61 -0.27 0.00 0.69 0.00 0.00 54.13 54.03 2bl5 s LEU 74 Cb -0.12 -0.76 0.03 0.00 -0.43 0.00 0.00 46.19 44.91 2bl5 s LEU 74 CO 0.02 -0.22 1.01 0.27 -0.29 0.00 0.00 176.35 177.15 2bl5 s ILE 75 N 1.74 4.36 -0.36 6.68 -4.36 -0.18 0.22 121.20 129.29 2bl5 s ILE 75 Ca 0.01 0.90 -0.10 0.00 -0.26 0.00 0.00 60.65 61.19 2bl5 s ILE 75 Cb -0.15 -4.51 0.02 0.00 1.25 0.00 0.00 42.46 39.07 2bl5 s ILE 75 CO -0.07 -0.93 0.18 -0.89 0.24 0.00 0.00 174.94 173.47 2bl5 s THR 76 N 4.06 4.47 -0.16 8.37 2.01 -1.06 -1.70 115.64 131.64 2bl5 s THR 76 Ca 0.41 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2bl5 s THR 76 Cb -0.09 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2bl5 s THR 76 CO 0.28 -0.18 -0.17 0.54 -0.69 0.00 0.00 174.62 174.40 2bl5 s VAL 77 N 1.54 2.48 -0.93 3.82 0.11 0.09 -0.69 120.40 126.82 2bl5 s VAL 77 Ca 0.02 -0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 58.07 2bl5 s VAL 77 Cb -0.19 -2.04 0.16 0.00 -1.53 0.00 0.00 36.38 32.79 2bl5 s VAL 77 CO 0.06 0.52 1.04 -1.61 -3.33 0.00 0.00 175.10 171.79 2bl5 s GLU 78 N 0.88 3.66 0.00 1.54 2.02 -1.26 0.04 118.70 125.57 2bl5 s GLU 78 Ca -0.04 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 52.88 2bl5 s GLU 78 Cb -0.15 -4.77 0.00 0.00 0.10 0.00 0.00 34.13 29.30 2bl5 s GLU 78 CO -0.02 -1.62 0.00 -3.47 0.02 0.00 0.00 175.26 170.18 2bl5 n ASP 79 N 5.61 0.00 -1.58 -0.19 2.03 -1.26 -4.99 116.55 116.17 2bl5 n ASP 79 Ca 0.22 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.61 2bl5 n ASP 79 Cb 0.48 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.22 2bl5 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bl5 n ALA 80 N -0.10 3.26 -2.63 -1.67 0.00 -1.26 -4.60 120.51 113.51 2bl5 n ALA 80 Ca 0.00 -1.53 -0.31 0.00 0.00 0.00 0.00 53.44 51.59 2bl5 n ALA 80 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.05 3.65 0.31 0.00 -0.21 -1.26 -4.99 119.66 115.11 2bl5 s GLN 81 Ca 0.48 -0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.85 2bl5 s GLN 81 Cb 0.33 -2.81 0.50 0.00 1.00 0.00 0.00 33.01 32.03 2bl5 s GLN 81 CO 0.20 0.43 1.85 -0.97 -2.12 0.00 0.00 175.29 174.68 2bl5 h ASN 82 N 2.71 0.63 -1.00 5.90 -1.24 -1.99 -2.64 115.58 117.95 2bl5 h ASN 82 Ca -0.46 -0.12 0.02 0.00 0.71 0.00 0.00 56.30 56.45 2bl5 h ASN 82 Cb 1.17 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 40.00 2bl5 h ASN 82 CO 0.72 0.66 0.66 0.08 -1.29 0.00 0.00 177.43 178.26 2bl5 h ARG 83 N 0.64 1.29 0.07 6.67 0.11 -1.98 0.26 114.38 121.43 2bl5 h ARG 83 Ca 0.14 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 2bl5 h ARG 83 Cb 0.32 -0.29 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2bl5 h ARG 83 CO 0.01 0.85 -0.03 0.00 0.10 0.00 0.00 179.97 180.90 2bl5 h ALA 84 N 1.39 -0.09 -0.05 0.08 0.00 -1.83 -2.63 119.26 116.14 2bl5 h ALA 84 Ca 0.37 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2bl5 h ALA 84 Cb -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2bl5 h ALA 84 CO -0.09 -0.35 -0.39 1.05 0.00 0.00 0.00 179.25 179.48 2bl5 h GLU 85 N -0.49 0.10 -0.85 0.00 4.11 -1.34 -1.93 114.58 114.18 2bl5 h GLU 85 Ca -0.01 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.41 2bl5 h GLU 85 Cb 0.42 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2bl5 h GLU 85 CO 0.01 0.47 0.56 1.25 0.07 0.00 0.00 179.01 181.37 2bl5 h LEU 86 N 0.08 0.91 -0.13 3.06 7.12 -0.40 1.00 115.31 126.95 2bl5 h LEU 86 Ca 0.01 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.93 2bl5 h LEU 86 Cb 0.72 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2bl5 h LEU 86 CO 0.05 0.63 -0.21 0.50 -0.13 0.00 0.00 178.44 179.28 2bl5 h LYS 87 N 1.06 0.38 -0.02 1.25 3.64 -0.99 -2.86 116.57 119.03 2bl5 h LYS 87 Ca 0.34 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 2bl5 h LYS 87 Cb 0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2bl5 h LYS 87 CO -0.10 0.82 -0.62 1.37 -2.27 0.00 0.00 179.45 178.65 2bl5 h LEU 88 N -0.02 0.08 -0.62 5.20 -0.00 -1.06 -2.84 115.31 116.05 2bl5 h LEU 88 Ca 0.01 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.88 57.70 2bl5 h LEU 88 Cb 0.79 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2bl5 h LEU 88 CO 0.05 0.68 -0.42 0.07 -0.00 0.00 0.00 178.44 178.82 2bl5 h LYS 89 N 0.05 0.60 -0.29 0.17 2.10 -0.82 0.50 116.57 118.88 2bl5 h LYS 89 Ca -0.01 -0.32 -0.15 0.00 -2.00 0.00 0.00 60.65 58.18 2bl5 h LYS 89 Cb 1.11 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2bl5 h LYS 89 CO 0.09 0.91 -0.40 0.07 -2.00 0.00 0.00 179.45 178.11 2bl5 h ARG 90 N 0.49 0.79 -0.27 0.07 0.11 -1.52 -0.84 114.38 113.21 2bl5 h ARG 90 Ca 0.04 -0.46 -0.05 0.00 0.10 0.00 0.00 59.98 59.60 2bl5 h ARG 90 Cb 0.94 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 2bl5 h ARG 90 CO 0.08 1.09 -0.04 0.00 0.10 0.00 0.00 179.97 181.20 2bl5 h ALA 91 N 0.69 0.38 0.00 0.08 0.00 -1.24 -2.73 119.26 116.43 2bl5 h ALA 91 Ca 0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2bl5 h ALA 91 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2bl5 h ALA 91 CO 0.09 0.16 -0.35 -0.24 0.00 0.00 0.00 179.25 178.92 2bl5 h VAL 92 N 0.28 1.04 -0.26 0.00 3.04 -0.04 -1.56 116.25 118.75 2bl5 h VAL 92 Ca 0.07 -1.30 -0.03 0.00 -1.01 0.00 0.00 66.70 64.43 2bl5 h VAL 92 Cb 0.50 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 2bl5 h VAL 92 CO 0.02 0.34 0.02 -0.33 -1.01 0.00 0.00 177.57 176.61 2bl5 h GLU 93 N 0.00 0.38 -0.62 4.17 5.08 -0.92 0.56 114.58 123.23 2bl5 h GLU 93 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2bl5 h GLU 93 Cb 0.72 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2bl5 h GLU 93 CO 0.05 0.40 0.34 0.93 -1.00 0.00 0.00 179.01 179.72 2bl5 h GLU 94 N 0.38 0.86 -0.63 2.33 4.39 -0.99 -1.73 114.58 119.18 2bl5 h GLU 94 Ca 0.09 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2bl5 h GLU 94 Cb 0.22 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2bl5 h GLU 94 CO 0.00 0.65 0.19 0.28 -1.16 0.00 0.00 179.01 178.97 2bl5 h VAL 95 N 0.84 1.25 -0.38 3.13 2.07 -1.02 -2.18 116.25 119.96 2bl5 h VAL 95 Ca 0.22 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.96 2bl5 h VAL 95 Cb 0.04 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2bl5 h VAL 95 CO -0.04 0.33 0.27 0.50 0.02 0.00 0.00 177.57 178.65 2bl5 h LYS 96 N 0.92 0.09 0.04 1.57 3.64 0.52 0.92 116.57 124.26 2bl5 h LYS 96 Ca 0.20 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.36 2bl5 h LYS 96 Cb 0.31 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2bl5 h LYS 96 CO -0.00 0.06 -1.02 -0.22 -2.27 0.00 0.00 179.45 176.00 2bl5 h LYS 97 N 0.09 0.13 0.21 1.90 3.64 -1.05 -3.36 116.57 118.13 2bl5 h LYS 97 Ca 0.18 -0.19 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2bl5 h LYS 97 Cb 0.59 0.06 0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2bl5 h LYS 97 CO -0.02 1.03 -1.36 1.25 -2.27 0.00 0.00 179.45 178.08 2bl5 h LEU 98 N 0.05 0.84 0.00 5.20 5.85 0.25 -3.22 115.31 124.28 2bl5 h LEU 98 Ca -0.05 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.78 2bl5 h LEU 98 Cb 1.72 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.48 2bl5 h LEU 98 CO 0.15 1.66 0.00 0.00 -0.34 0.00 0.00 178.44 179.91 2bl5 n LEU 99 N -3.78 0.00 -4.73 2.25 -0.00 0.28 -4.69 117.00 106.33 2bl5 n LEU 99 Ca -0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.44 2bl5 n LEU 99 Cb 1.05 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.43 2bl5 n LEU 99 CO 0.59 0.00 0.85 -0.69 -0.00 0.00 0.00 177.39 178.14 2bl5 s VAL 100 N -2.00 3.80 -2.00 1.47 1.01 -1.22 -4.89 120.40 116.57 2bl5 s VAL 100 Ca 0.09 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.56 2bl5 s VAL 100 Cb 0.04 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2bl5 s VAL 100 CO 0.07 0.22 0.31 -0.81 0.00 0.00 0.00 175.10 174.89 2bl5 n PRO 101 N 2.77 0.14 0.00 2.72 -0.04 -1.26 -4.79 135.00 134.54 2bl5 n PRO 101 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2bl5 n PRO 101 Cb 0.46 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.64 0.00 0.13 0.55 0.00 -1.26 -4.55 120.51 114.74 2bl5 n ALA 102 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2bl5 n ALA 102 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 0.93 -2.72 0.00 0.00 -2.03 -3.49 119.26 111.95 2bl5 h ALA 103 Ca 0.00 -0.58 0.33 0.00 0.00 0.00 0.00 54.91 54.65 2bl5 h ALA 103 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 2bl5 h ALA 103 CO 0.00 0.80 -0.51 -1.91 0.00 0.00 0.00 179.25 177.63 2bl5 n GLU 104 N -3.76 -2.48 -2.75 0.00 2.13 -1.26 -4.86 120.64 107.66 2bl5 n GLU 104 Ca -0.01 1.69 -0.01 0.00 0.66 0.00 0.00 57.16 59.48 2bl5 n GLU 104 Cb 0.64 -3.01 0.09 0.00 0.27 0.00 0.00 31.44 29.43 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 -3.78 1.90 3.78 8.31 0.00 -1.26 -5.06 105.19 109.07 2bl5 n GLY 105 Ca -0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.72 4.32 0.40 1.61 0.41 -1.26 -4.95 118.70 117.52 2bl5 s GLU 106 Ca 0.18 0.81 0.15 0.00 -0.41 0.00 0.00 54.97 55.70 2bl5 s GLU 106 Cb 0.39 -3.30 0.86 0.00 -1.78 0.00 0.00 34.13 30.30 2bl5 s GLU 106 CO -0.08 0.46 1.88 0.22 -0.49 0.00 0.00 175.26 177.25 2bl5 h ASP 107 N 5.18 0.00 -0.01 -0.19 3.58 -2.01 -2.39 116.42 120.57 2bl5 h ASP 107 Ca -0.47 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.96 2bl5 h ASP 107 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2bl5 h ASP 107 CO 0.67 0.31 -0.05 -1.28 -2.88 0.00 0.00 179.24 176.01 2bl5 h SER 108 N 0.00 0.15 -0.92 2.28 0.87 -1.97 -1.44 113.55 112.51 2bl5 h SER 108 Ca -0.00 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2bl5 h SER 108 Cb 0.58 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 2bl5 h SER 108 CO 0.04 0.23 0.60 -0.07 -0.53 0.00 0.00 176.83 177.10 2bl5 h LEU 109 N 0.16 1.00 0.11 2.23 3.38 -1.83 0.68 115.31 121.04 2bl5 h LEU 109 Ca 0.04 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 2bl5 h LEU 109 Cb 0.20 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.74 2bl5 h LEU 109 CO 0.01 0.69 -1.00 0.50 0.09 0.00 0.00 178.44 178.73 2bl5 h LYS 110 N 1.17 0.49 0.00 1.13 3.64 -1.49 -3.09 116.57 118.41 2bl5 h LYS 110 Ca 0.37 -0.67 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 2bl5 h LYS 110 Cb -0.01 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2bl5 h LYS 110 CO -0.12 1.29 -0.53 0.87 -2.27 0.00 0.00 179.45 178.69 2bl5 h LYS 111 N 0.01 0.00 0.00 1.90 1.57 -0.96 -2.35 116.57 116.75 2bl5 h LYS 111 Ca -0.16 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.36 2bl5 h LYS 111 Cb 1.72 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.05 2bl5 h LYS 111 CO 0.19 0.53 -1.04 0.52 -0.57 0.00 0.00 179.45 179.08 2bl5 h MET 112 N 0.00 0.68 -0.11 3.15 2.86 0.28 0.67 114.93 122.46 2bl5 h MET 112 Ca -0.01 -0.73 -0.17 0.00 -2.06 0.00 0.00 59.70 56.73 2bl5 h MET 112 Cb 1.10 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 2bl5 h MET 112 CO 0.07 1.31 -0.65 -0.22 1.06 0.00 0.00 176.91 178.48 2bl5 h LYS 113 N 0.38 0.43 0.00 1.72 1.63 -1.56 -1.05 116.57 118.12 2bl5 h LYS 113 Ca -0.13 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.32 2bl5 h LYS 113 Cb 1.70 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.37 2bl5 h LYS 113 CO 0.20 0.94 -0.58 1.25 -3.45 0.00 0.00 179.45 177.82 2bl5 h LEU 114 N 0.31 0.00 0.00 5.20 5.85 -1.44 -3.39 115.31 121.84 2bl5 h LEU 114 Ca -0.02 -0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.41 2bl5 h LEU 114 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2bl5 h LEU 114 CO 0.11 0.85 -1.21 0.80 -0.34 0.00 0.00 178.44 178.66 2bl5 n MET 115 N -4.60 0.54 0.31 1.25 1.56 0.19 -3.83 117.12 112.55 2bl5 n MET 115 Ca -0.11 0.53 0.19 0.00 -0.27 0.00 0.00 57.70 58.04 2bl5 n MET 115 Cb 0.31 -1.71 1.04 0.00 2.15 0.00 0.00 33.22 35.02 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 -1.00 0.00 -0.25 2.12 4.39 -0.33 0.91 114.58 120.42 2bl5 h GLU 116 Ca -0.30 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.23 2bl5 h GLU 116 Cb 1.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2bl5 h GLU 116 CO -0.18 0.01 -0.52 1.25 -1.16 0.00 0.00 179.01 178.41 2bl5 h LEU 117 N 0.00 0.81 -5.17 1.33 7.12 -1.35 -3.39 115.31 114.65 2bl5 h LEU 117 Ca -0.00 -0.42 -0.21 0.00 0.13 0.00 0.00 57.88 57.38 2bl5 h LEU 117 Cb 0.04 -0.23 -0.28 0.00 -0.53 0.00 0.00 40.66 39.66 2bl5 h LEU 117 CO 0.00 1.18 -0.72 0.00 -0.13 0.00 0.00 178.44 178.77 2bl5 n ALA 118 N -2.54 2.74 0.00 1.25 0.00 -0.09 -5.09 120.51 116.78 2bl5 n ALA 118 Ca -0.03 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.49 2bl5 n ALA 118 Cb 0.60 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2bl5 n ALA 118 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2bl5 n ILE 119 N -1.03 0.00 -2.81 0.00 -5.35 0.30 -3.62 119.36 106.84 2bl5 n ILE 119 Ca -0.05 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.00 2bl5 n ILE 119 Cb 0.84 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.70 2bl5 n ILE 119 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2bl5 s LEU 120 N 0.00 4.16 0.00 7.28 2.01 -1.26 -4.56 118.68 126.31 2bl5 s LEU 120 Ca 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 54.13 53.35 2bl5 s LEU 120 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 46.19 43.68 2bl5 s LEU 120 CO 0.00 -1.45 0.00 -0.46 1.01 0.00 0.00 176.35 175.45 2bl5 n ASN 121 N 7.88 0.00 -0.49 2.29 0.23 -1.24 -4.98 115.26 118.95 2bl5 n ASN 121 Ca -0.02 -0.10 0.13 0.00 -0.53 0.00 0.00 54.58 54.06 2bl5 n ASN 121 Cb 0.46 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.64 2bl5 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bl5 n GLY 122 N 5.00 0.08 0.45 4.83 0.00 -1.26 -4.03 105.19 110.26 2bl5 n GLY 122 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 2bl5 n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bl5 n THR 123 N 0.20 0.76 0.00 2.61 -1.04 -1.26 -5.00 114.28 110.54 2bl5 n THR 123 Ca 0.18 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2bl5 n THR 123 Cb 0.34 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 2bl5 n THR 123 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bl5 n TYR 124 N -3.44 0.00 0.00 -1.42 4.11 -1.26 -4.70 117.16 110.45 2bl5 n TYR 124 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.64 2bl5 n TYR 124 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.05 2bl5 n TYR 124 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2bl5 n ARG 125 N 0.97 0.00 0.45 -3.48 3.00 -1.26 -4.29 116.66 112.05 2bl5 n ARG 125 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 2bl5 n ARG 125 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 2bl5 n ARG 125 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2bl5 h ASP 126 N 0.00 -0.97 0.56 6.15 1.82 -2.03 -3.07 116.42 118.89 2bl5 h ASP 126 Ca 0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2bl5 h ASP 126 Cb 0.00 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2bl5 h ASP 126 CO 0.00 -0.68 0.00 0.00 -1.61 0.00 0.00 179.24 176.95 2bl5 n ALA 127 N -2.58 2.19 0.25 -0.78 0.00 -1.26 -2.96 120.51 115.36 2bl5 n ALA 127 Ca -0.14 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.32 2bl5 n ALA 127 Cb 0.45 -1.39 0.58 0.00 0.00 0.00 0.00 19.45 19.09 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 0.00 -0.08 0.00 -1.24 -1.85 -1.59 115.58 110.83 2bl5 h ASN 128 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2bl5 h ASN 128 Cb 0.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.33 2bl5 h ASN 128 CO 0.00 0.15 0.00 0.18 -1.29 0.00 0.00 177.43 176.47 2bl5 n LEU 129 N -3.36 2.09 -0.70 0.34 4.32 -1.15 -4.46 117.00 114.07 2bl5 n LEU 129 Ca -0.00 -1.20 0.08 0.00 -0.02 0.00 0.00 56.01 54.87 2bl5 n LEU 129 Cb 0.36 -0.04 0.10 0.00 -1.62 0.00 0.00 43.42 42.22 2bl5 n LEU 129 CO 0.31 0.43 0.55 1.17 -1.22 0.00 0.00 177.39 178.63 2bl5 n LYS 130 N 0.58 1.60 -2.14 3.23 3.00 -0.68 -4.97 118.16 118.76 2bl5 n LYS 130 Ca 0.07 -1.65 -0.42 0.00 -0.00 0.00 0.00 58.31 56.31 2bl5 n LYS 130 Cb 0.30 -1.32 -0.03 0.00 0.00 0.00 0.00 35.03 33.98 2bl5 n LYS 130 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2bl5 s SER 131 N -1.24 6.78 0.41 3.14 0.01 -0.69 -5.00 113.70 117.11 2bl5 s SER 131 Ca 0.22 2.19 -0.24 0.00 1.31 0.00 0.00 55.95 59.43 2bl5 s SER 131 Cb 0.14 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 2bl5 s SER 131 CO 0.20 -0.78 1.07 -2.84 0.41 0.00 0.00 173.24 171.30 2bl5 s PRO 132 N 2.69 4.11 0.00 12.44 0.02 -1.26 -4.03 135.00 148.97 2bl5 s PRO 132 Ca 0.67 1.55 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2bl5 s PRO 132 Cb -0.33 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.66 2bl5 s PRO 132 CO 0.27 -0.20 0.00 0.00 -0.33 0.00 0.00 177.00 176.75 2bl5 n ALA 133 N -0.12 0.00 -0.78 -1.55 0.00 -1.26 -4.84 120.51 111.96 2bl5 n ALA 133 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2bl5 n ALA 133 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.00 0.00 0.00 4.77 -1.26 -5.29 117.00 115.23 2bl5 n LEU 134 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2bl5 n LEU 134 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2bl5 n LEU 134 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.63