#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbo n LEU 10 N 0.00 1.36 -0.16 -4.53 4.77 -1.26 -4.67 117.00 112.50 1pbo n LEU 10 Ca 0.00 -1.31 -0.07 0.00 -0.03 0.00 0.00 56.01 54.60 1pbo n LEU 10 Cb 0.00 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1pbo n LEU 10 CO 0.00 0.34 1.07 0.77 -1.33 0.00 0.00 177.39 178.24 1pbo h SER 11 N 0.10 0.56 0.00 -1.43 4.64 -1.96 -1.89 113.55 113.58 1pbo h SER 11 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1pbo h SER 11 Cb 0.18 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1pbo h SER 11 CO 0.00 0.41 0.00 -1.84 -0.87 0.00 0.00 176.83 174.53 1pbo n GLU 12 N -4.75 0.00 0.00 4.77 0.00 -1.26 -0.68 120.64 118.73 1pbo n GLU 12 Ca 0.02 0.27 0.12 0.00 0.00 0.00 0.00 57.16 57.57 1pbo n GLU 12 Cb 0.02 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.19 1pbo n GLU 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1pbo n LEU 13 N -1.27 1.58 -4.70 -1.84 4.77 -0.71 -4.96 117.00 109.88 1pbo n LEU 13 Ca 0.00 -0.52 -0.33 0.00 -0.03 0.00 0.00 56.01 55.13 1pbo n LEU 13 Cb 0.00 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.16 1pbo n LEU 13 CO 0.00 0.29 0.75 -0.44 -1.33 0.00 0.00 177.39 176.66 1pbo s SER 14 N -2.42 3.54 0.00 -1.43 0.01 0.15 -4.88 113.70 108.67 1pbo s SER 14 Ca 0.23 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.80 1pbo s SER 14 Cb 0.19 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1pbo s SER 14 CO 0.51 -2.70 0.00 0.61 0.41 0.00 0.00 173.24 172.07 1pbo n GLY 15 N 0.36 0.80 3.69 3.44 0.00 0.53 -4.96 105.19 109.06 1pbo n GLY 15 Ca 0.13 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1pbo n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pbo s PRO 16 N -1.32 4.44 0.08 1.61 0.04 -1.26 -0.37 135.00 138.22 1pbo s PRO 16 Ca 0.00 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.58 1pbo s PRO 16 Cb 0.00 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1pbo s PRO 16 CO 0.00 -0.28 -0.15 -1.58 0.04 0.00 0.00 177.00 175.03 1pbo s TRP 17 N 1.78 1.31 0.03 0.56 0.52 -0.80 -0.79 118.94 121.56 1pbo s TRP 17 Ca 0.51 -0.47 0.06 0.00 0.02 0.00 0.00 56.10 56.22 1pbo s TRP 17 Cb -0.21 -0.73 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1pbo s TRP 17 CO 0.22 0.09 -0.18 1.03 0.02 0.00 0.00 176.95 178.12 1pbo s ARG 18 N -1.93 1.25 0.18 4.98 1.81 0.98 -3.26 118.95 122.96 1pbo s ARG 18 Ca 0.01 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 52.88 1pbo s ARG 18 Cb -0.09 -1.31 -0.07 0.00 -0.45 0.00 0.00 34.95 33.03 1pbo s ARG 18 CO 0.03 0.33 1.00 0.99 -0.68 0.00 0.00 175.30 176.97 1pbo s THR 19 N -0.76 4.14 -0.04 0.02 2.01 -1.26 -0.43 115.64 119.32 1pbo s THR 19 Ca 0.06 1.92 -0.08 0.00 0.31 0.00 0.00 61.69 63.89 1pbo s THR 19 Cb -0.08 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1pbo s THR 19 CO 0.01 0.36 -0.16 0.52 -0.69 0.00 0.00 174.62 174.66 1pbo n VAL 20 N 2.21 1.27 -4.06 3.82 0.31 -0.37 -4.89 118.33 116.62 1pbo n VAL 20 Ca 0.01 0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 64.42 1pbo n VAL 20 Cb 0.47 -1.91 -0.13 0.00 -0.91 0.00 0.00 33.84 31.37 1pbo n VAL 20 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pbo s TYR 21 N -2.40 0.41 -0.04 3.52 2.02 -1.11 -5.00 117.35 114.74 1pbo s TYR 21 Ca -0.14 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1pbo s TYR 21 Cb 0.03 -0.26 0.02 0.00 -0.40 0.00 0.00 41.96 41.35 1pbo s TYR 21 CO 0.20 -0.04 -0.02 0.42 -1.57 0.00 0.00 175.55 174.54 1pbo s ILE 22 N -0.53 0.41 0.23 2.71 1.01 -1.26 -1.16 121.20 122.59 1pbo s ILE 22 Ca -0.03 -0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.69 1pbo s ILE 22 Cb -0.04 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1pbo s ILE 22 CO -0.00 0.21 -0.05 -0.83 0.00 0.00 0.00 174.94 174.26 1pbo s GLY 23 N 1.10 1.70 -0.18 6.18 0.00 -0.32 -4.96 107.32 110.84 1pbo s GLY 23 Ca -0.08 -1.57 -0.17 0.00 0.00 0.00 0.00 44.72 42.89 1pbo s GLY 23 CO -0.01 -1.62 0.49 -0.45 0.00 0.00 0.00 173.10 171.51 1pbo s SER 24 N -3.27 -0.51 0.23 1.64 0.15 -1.26 -1.13 113.70 109.55 1pbo s SER 24 Ca 0.28 0.97 0.24 0.00 0.70 0.00 0.00 55.95 58.15 1pbo s SER 24 Cb -0.07 0.99 0.93 0.00 -1.71 0.00 0.00 66.02 66.15 1pbo s SER 24 CO 0.18 -0.18 1.73 0.35 1.20 0.00 0.00 173.24 176.52 1pbo n THR 25 N 2.78 0.75 -3.85 6.45 -2.24 -0.55 -4.27 114.28 113.35 1pbo n THR 25 Ca -0.14 0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 1pbo n THR 25 Cb 0.57 -0.98 -0.14 0.00 -2.10 0.00 0.00 70.33 67.67 1pbo n THR 25 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pbo s ASN 26 N -4.28 4.24 0.57 3.42 3.04 -1.26 -5.00 114.94 115.67 1pbo s ASN 26 Ca 0.06 -2.19 0.33 0.00 0.04 0.00 0.00 52.86 51.10 1pbo s ASN 26 Cb 0.10 -1.26 1.42 0.00 -1.54 0.00 0.00 41.25 39.98 1pbo s ASN 26 CO 0.45 -0.35 1.74 -0.65 -3.04 0.00 0.00 177.10 175.25 1pbo h PRO 27 N 7.45 0.00 0.00 0.43 0.11 -2.00 0.20 132.00 138.18 1pbo h PRO 27 Ca -0.07 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1pbo h PRO 27 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1pbo h PRO 27 CO 0.52 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 179.01 1pbo h GLU 28 N 0.00 0.00 0.00 1.05 5.08 -1.95 -1.78 114.58 116.98 1pbo h GLU 28 Ca 0.44 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1pbo h GLU 28 Cb 2.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1pbo h GLU 28 CO -0.00 0.22 -0.18 0.87 -1.00 0.00 0.00 179.01 178.92 1pbo h LYS 29 N 0.00 0.00 -0.00 2.33 1.79 -1.34 -3.27 116.57 116.07 1pbo h LYS 29 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pbo h LYS 29 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1pbo h LYS 29 CO 0.03 0.18 -0.04 0.44 -1.08 0.00 0.00 179.45 178.99 1pbo n ILE 30 N -3.54 0.00 -1.46 1.86 -5.35 -1.01 -0.78 119.36 109.08 1pbo n ILE 30 Ca -0.01 -0.48 -0.29 0.00 -0.27 0.00 0.00 62.75 61.70 1pbo n ILE 30 Cb 0.33 1.07 0.22 0.00 -1.74 0.00 0.00 39.64 39.53 1pbo n ILE 30 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pbo n GLN 31 N -0.03 -2.22 -1.66 6.28 6.02 -0.70 -4.66 117.38 120.41 1pbo n GLN 31 Ca 0.02 -1.86 -0.48 0.00 -0.01 0.00 0.00 57.00 54.68 1pbo n GLN 31 Cb 0.09 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 1pbo n GLN 31 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pbo n GLU 32 N -4.28 1.97 -0.94 -1.09 4.71 -1.26 0.22 120.64 119.97 1pbo n GLU 32 Ca 0.16 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 58.02 1pbo n GLU 32 Cb 0.57 -2.48 0.00 0.00 -1.01 0.00 0.00 31.44 28.52 1pbo n GLU 32 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1pbo n ASN 33 N 3.91 0.00 -4.77 1.62 3.02 -1.26 -5.02 115.26 112.76 1pbo n ASN 33 Ca 0.18 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.34 1pbo n ASN 33 Cb 0.27 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1pbo n ASN 33 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1pbo s GLY 34 N -1.99 2.92 0.57 7.41 0.00 0.13 -4.76 107.32 111.60 1pbo s GLY 34 Ca 0.00 1.26 0.33 0.00 0.00 0.00 0.00 44.72 46.31 1pbo s GLY 34 CO 0.00 1.85 2.15 -0.56 0.00 0.00 0.00 173.10 176.54 1pbo h PRO 35 N 2.60 0.00 -0.40 2.90 0.13 -1.78 -2.89 132.00 132.56 1pbo h PRO 35 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1pbo h PRO 35 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1pbo h PRO 35 CO 0.62 0.06 0.03 1.19 -0.23 0.00 0.00 178.00 179.67 1pbo n PHE 36 N -3.45 1.43 -2.85 1.56 3.01 0.04 -4.70 117.46 112.50 1pbo n PHE 36 Ca -0.02 -0.93 -0.43 0.00 1.01 0.00 0.00 57.45 57.08 1pbo n PHE 36 Cb 0.19 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 1pbo n PHE 36 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1pbo n ARG 37 N -0.22 3.82 -3.76 -1.08 0.63 -1.09 -4.76 116.66 110.20 1pbo n ARG 37 Ca 0.26 -4.08 -0.36 0.00 -0.92 0.00 0.00 57.85 52.74 1pbo n ARG 37 Cb 1.04 -2.75 -0.11 0.00 0.45 0.00 0.00 32.46 31.10 1pbo n ARG 37 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1pbo s THR 38 N -0.67 4.90 -0.47 5.15 -4.23 -1.26 -4.56 115.64 114.50 1pbo s THR 38 Ca 0.36 0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 60.70 1pbo s THR 38 Cb 0.02 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.62 1pbo s THR 38 CO 0.02 0.35 0.58 -0.31 -0.54 0.00 0.00 174.62 174.72 1pbo s TYR 39 N 1.21 3.08 0.46 3.99 1.51 -0.54 -4.77 117.35 122.30 1pbo s TYR 39 Ca 0.06 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 1pbo s TYR 39 Cb -0.14 -3.33 -0.07 0.00 -0.11 0.00 0.00 41.96 38.31 1pbo s TYR 39 CO 0.05 -0.91 1.30 -0.06 -1.11 0.00 0.00 175.55 174.83 1pbo s PHE 40 N 2.56 2.64 -0.03 2.71 0.40 -1.26 -1.07 117.98 123.93 1pbo s PHE 40 Ca 0.16 1.41 -0.03 0.00 -0.60 0.00 0.00 56.93 57.87 1pbo s PHE 40 Cb -0.17 -3.68 -0.02 0.00 0.51 0.00 0.00 43.02 39.66 1pbo s PHE 40 CO 0.14 -2.29 -0.06 0.54 0.70 0.00 0.00 175.22 174.25 1pbo n ARG 41 N -0.35 0.10 -3.72 0.44 1.74 -0.07 -4.48 116.66 110.33 1pbo n ARG 41 Ca 0.06 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 1pbo n ARG 41 Cb 0.45 -0.68 -0.09 0.00 -1.02 0.00 0.00 32.46 31.12 1pbo n ARG 41 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1pbo s GLU 42 N -2.11 0.65 -0.02 5.56 2.56 -1.03 -1.90 118.70 122.41 1pbo s GLU 42 Ca -0.07 0.10 0.07 0.00 0.00 0.00 0.00 54.97 55.08 1pbo s GLU 42 Cb 0.02 0.30 -0.02 0.00 2.00 0.00 0.00 34.13 36.43 1pbo s GLU 42 CO 0.09 -0.16 -0.24 -0.51 -0.56 0.00 0.00 175.26 173.88 1pbo s LEU 43 N -0.82 2.04 -0.20 2.70 1.43 0.50 -1.89 118.68 122.43 1pbo s LEU 43 Ca -0.09 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1pbo s LEU 43 Cb -0.04 -1.23 0.06 0.00 0.03 0.00 0.00 46.19 45.01 1pbo s LEU 43 CO 0.04 0.29 0.00 -0.69 0.23 0.00 0.00 176.35 176.22 1pbo s VAL 44 N -0.52 0.86 -0.14 -1.59 1.01 -0.73 -0.34 120.40 118.94 1pbo s VAL 44 Ca 0.08 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1pbo s VAL 44 Cb -0.09 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1pbo s VAL 44 CO -0.01 -0.15 0.21 -0.36 0.00 0.00 0.00 175.10 174.79 1pbo s PHE 45 N 1.71 3.52 -0.26 5.22 0.40 -1.26 -1.23 117.98 126.08 1pbo s PHE 45 Ca -0.02 0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.86 1pbo s PHE 45 Cb -0.17 -2.16 0.06 0.00 0.51 0.00 0.00 43.02 41.26 1pbo s PHE 45 CO -0.07 0.45 -0.06 0.34 0.70 0.00 0.00 175.22 176.58 1pbo s ASP 46 N -0.20 4.17 0.53 1.36 -1.08 -0.11 -4.22 116.67 117.11 1pbo s ASP 46 Ca 0.14 -1.36 0.32 0.00 -0.52 0.00 0.00 52.55 51.14 1pbo s ASP 46 Cb -0.12 -1.35 1.26 0.00 -1.46 0.00 0.00 42.92 41.24 1pbo s ASP 46 CO 0.03 -0.23 1.95 0.44 0.52 0.00 0.00 175.17 177.87 1pbo h ASP 47 N 7.86 0.00 0.35 -0.34 3.32 -1.94 -1.40 116.42 124.27 1pbo h ASP 47 Ca -0.17 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.55 1pbo h ASP 47 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1pbo h ASP 47 CO 0.44 0.03 -1.60 -0.08 -1.72 0.00 0.00 179.24 176.31 1pbo h GLU 48 N 0.00 0.33 -0.02 3.56 4.81 -1.96 -3.31 114.58 117.98 1pbo h GLU 48 Ca -0.00 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1pbo h GLU 48 Cb 0.56 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1pbo h GLU 48 CO 0.00 1.21 -0.15 1.63 -0.73 0.00 0.00 179.01 180.98 1pbo n LYS 49 N -3.52 1.66 -3.61 1.92 5.02 -1.23 -4.98 118.16 113.42 1pbo n LYS 49 Ca -0.19 -1.23 -0.23 0.00 -2.02 0.00 0.00 58.31 54.64 1pbo n LYS 49 Cb 1.06 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 34.64 1pbo n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pbo n GLY 50 N 1.32 -0.69 3.14 0.72 0.00 -0.59 -4.83 105.19 104.27 1pbo n GLY 50 Ca 0.14 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 1pbo n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbo s THR 51 N -3.55 0.31 -0.04 2.61 -4.23 -0.80 -1.39 115.64 108.54 1pbo s THR 51 Ca 0.24 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1pbo s THR 51 Cb -0.07 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 71.99 1pbo s THR 51 CO 0.81 -0.72 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.47 1pbo s VAL 52 N -3.89 0.29 -0.15 2.29 1.01 -0.50 -0.94 120.40 118.51 1pbo s VAL 52 Ca 0.16 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1pbo s VAL 52 Cb 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1pbo s VAL 52 CO -0.03 0.18 0.00 -1.81 0.00 0.00 0.00 175.10 173.44 1pbo s ASP 53 N 1.18 5.15 -0.12 3.32 1.01 -0.37 0.73 116.67 127.58 1pbo s ASP 53 Ca -0.07 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.16 1pbo s ASP 53 Cb -0.13 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1pbo s ASP 53 CO -0.02 0.21 -0.06 -0.36 0.21 0.00 0.00 175.17 175.15 1pbo s PHE 54 N 0.12 2.96 -0.15 4.23 0.40 0.86 -1.77 117.98 124.63 1pbo s PHE 54 Ca 0.01 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1pbo s PHE 54 Cb -0.13 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.56 1pbo s PHE 54 CO 0.02 0.04 -0.18 0.71 0.70 0.00 0.00 175.22 176.52 1pbo s TYR 55 N -0.00 2.43 0.28 0.36 2.02 -0.79 -1.48 117.35 120.17 1pbo s TYR 55 Ca -0.00 -1.34 -0.17 0.00 -0.37 0.00 0.00 57.07 55.18 1pbo s TYR 55 Cb -0.14 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1pbo s TYR 55 CO 0.03 -0.68 0.63 -0.59 -1.57 0.00 0.00 175.55 173.37 1pbo s PHE 56 N 1.23 0.07 0.00 2.71 -0.12 -0.36 -0.89 117.98 120.61 1pbo s PHE 56 Ca 0.01 -0.50 0.08 0.00 -0.05 0.00 0.00 56.93 56.47 1pbo s PHE 56 Cb -0.14 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1pbo s PHE 56 CO -0.09 -1.17 -0.24 -1.12 -0.05 0.00 0.00 175.22 172.56 1pbo s SER 57 N -2.97 2.88 -0.00 1.98 0.01 -0.23 0.75 113.70 116.11 1pbo s SER 57 Ca 0.16 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1pbo s SER 57 Cb -0.04 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1pbo s SER 57 CO 0.08 0.27 -0.01 -0.69 0.41 0.00 0.00 173.24 173.31 1pbo s VAL 58 N -0.65 0.09 -0.49 3.43 1.01 -0.16 -1.47 120.40 122.16 1pbo s VAL 58 Ca 0.10 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 1pbo s VAL 58 Cb -0.09 -0.09 0.05 0.00 0.00 0.00 0.00 36.38 36.24 1pbo s VAL 58 CO 0.00 0.03 0.62 -0.75 0.00 0.00 0.00 175.10 175.00 1pbo s LYS 59 N 0.06 3.14 -0.04 2.72 2.20 -1.26 0.06 119.74 126.62 1pbo s LYS 59 Ca -0.00 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 1pbo s LYS 59 Cb -0.02 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 1pbo s LYS 59 CO -0.00 -1.18 -0.22 1.03 -0.36 0.00 0.00 175.35 174.62 1pbo s ARG 60 N 2.64 2.36 6.64 4.03 1.81 0.12 -4.21 118.95 132.33 1pbo s ARG 60 Ca 0.16 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 1pbo s ARG 60 Cb -0.18 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 1pbo s ARG 60 CO 0.13 0.53 0.00 -0.25 -0.68 0.00 0.00 175.30 175.03 1pbo n ASP 61 N 2.54 0.00 -0.57 0.23 9.92 -1.26 -2.26 116.55 125.15 1pbo n ASP 61 Ca -0.17 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.21 1pbo n ASP 61 Cb 0.52 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 41.18 1pbo n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pbo n GLY 62 N 0.00 0.16 3.54 0.44 0.00 -1.26 -4.90 105.19 103.17 1pbo n GLY 62 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1pbo n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pbo s LYS 63 N -2.28 1.83 0.06 1.61 0.00 -0.96 -5.09 119.74 114.91 1pbo s LYS 63 Ca 0.25 -2.04 -0.23 0.00 0.00 0.00 0.00 55.97 53.96 1pbo s LYS 63 Cb 0.19 -1.24 -0.06 0.00 0.00 0.00 0.00 37.83 36.72 1pbo s LYS 63 CO 0.45 -0.14 0.68 -1.58 0.00 0.00 0.00 175.35 174.75 1pbo s TRP 64 N -3.01 3.77 0.08 1.78 0.52 -1.26 0.14 118.94 120.97 1pbo s TRP 64 Ca 0.34 1.39 0.06 0.00 0.02 0.00 0.00 56.10 57.91 1pbo s TRP 64 Cb 0.09 -2.68 -0.03 0.00 -1.15 0.00 0.00 33.47 29.70 1pbo s TRP 64 CO 0.16 0.42 -0.16 0.15 0.02 0.00 0.00 176.95 177.54 1pbo s LYS 65 N -0.56 0.93 -0.19 4.98 -0.14 0.11 -4.94 119.74 119.92 1pbo s LYS 65 Ca 0.34 -1.04 -0.05 0.00 -1.36 0.00 0.00 55.97 53.86 1pbo s LYS 65 Cb -0.20 -1.00 -0.02 0.00 -1.68 0.00 0.00 37.83 34.92 1pbo s LYS 65 CO 0.21 0.22 -0.01 -0.80 -0.76 0.00 0.00 175.35 174.21 1pbo s ASN 66 N -1.84 4.77 0.07 2.83 0.01 -1.26 -0.99 114.94 118.53 1pbo s ASN 66 Ca 0.01 -0.20 0.08 0.00 -0.71 0.00 0.00 52.86 52.05 1pbo s ASN 66 Cb -0.10 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 1pbo s ASN 66 CO 0.03 0.09 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.81 1pbo s VAL 67 N 0.86 2.65 -0.09 1.60 1.01 0.23 -4.96 120.40 121.70 1pbo s VAL 67 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.63 1pbo s VAL 67 Cb -0.14 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1pbo s VAL 67 CO 0.02 0.26 -0.10 -2.28 0.00 0.00 0.00 175.10 173.00 1pbo s HIS 68 N -0.97 1.48 -0.01 5.22 2.46 -1.25 -1.22 115.29 120.98 1pbo s HIS 68 Ca 0.15 -0.65 0.03 0.00 0.47 0.00 0.00 55.06 55.05 1pbo s HIS 68 Cb -0.10 -1.16 -0.00 0.00 -0.13 0.00 0.00 32.58 31.18 1pbo s HIS 68 CO 0.06 -0.41 -0.10 0.08 -2.47 0.00 0.00 174.74 171.91 1pbo s VAL 69 N 1.21 0.80 -0.18 0.89 1.01 -0.55 -4.96 120.40 118.62 1pbo s VAL 69 Ca -0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1pbo s VAL 69 Cb -0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1pbo s VAL 69 CO -0.03 0.23 -0.03 -0.75 0.00 0.00 0.00 175.10 174.53 1pbo s LYS 70 N -0.11 3.61 -0.00 2.72 2.20 -1.26 -0.09 119.74 126.81 1pbo s LYS 70 Ca 0.02 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1pbo s LYS 70 Cb -0.05 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1pbo s LYS 70 CO -0.00 0.11 0.04 0.00 -0.36 0.00 0.00 175.35 175.14 1pbo s ALA 71 N 0.71 3.43 -0.07 3.13 0.00 0.22 -4.68 121.76 124.50 1pbo s ALA 71 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1pbo s ALA 71 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1pbo s ALA 71 CO 0.02 0.67 -0.18 0.99 0.00 0.00 0.00 175.76 177.25 1pbo s THR 72 N -1.14 2.66 0.56 0.00 2.01 -0.79 -1.41 115.64 117.54 1pbo s THR 72 Ca 0.21 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1pbo s THR 72 Cb -0.12 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 1pbo s THR 72 CO 0.12 0.57 1.06 -0.75 -0.69 0.00 0.00 174.62 174.93 1pbo s LYS 73 N -0.31 3.46 0.35 4.92 2.20 -0.48 -1.85 119.74 128.02 1pbo s LYS 73 Ca 0.02 1.31 0.09 0.00 -0.36 0.00 0.00 55.97 57.03 1pbo s LYS 73 Cb -0.13 -2.05 -0.07 0.00 -1.51 0.00 0.00 37.83 34.08 1pbo s LYS 73 CO 0.02 -0.71 -0.09 -0.65 -0.36 0.00 0.00 175.35 173.57 1pbo s GLN 74 N -3.71 1.82 0.52 4.03 -0.21 0.59 -4.92 119.66 117.79 1pbo s GLN 74 Ca 0.66 -1.95 0.23 0.00 0.02 0.00 0.00 55.36 54.32 1pbo s GLN 74 Cb -0.17 -1.69 1.35 0.00 1.00 0.00 0.00 33.01 33.51 1pbo s GLN 74 CO 0.30 0.13 2.03 -0.44 -2.12 0.00 0.00 175.29 175.19 1pbo h ASP 75 N 2.01 0.01 1.34 5.90 3.32 -1.98 0.37 116.42 127.40 1pbo h ASP 75 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1pbo h ASP 75 Cb 1.25 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1pbo h ASP 75 CO 0.71 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.34 1pbo n ASP 76 N -4.42 0.78 0.00 6.45 5.68 -1.26 -4.92 116.55 118.86 1pbo n ASP 76 Ca 0.07 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.95 1pbo n ASP 76 Cb 0.48 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1pbo n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pbo n GLY 77 N 1.08 1.72 3.62 6.12 0.00 0.13 -5.08 105.19 112.78 1pbo n GLY 77 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1pbo n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbo s THR 78 N -2.01 2.24 0.17 2.61 -4.23 -1.26 -4.50 115.64 108.67 1pbo s THR 78 Ca 0.00 0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.70 1pbo s THR 78 Cb 0.00 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1pbo s THR 78 CO 0.00 -0.10 -0.25 -0.31 -0.54 0.00 0.00 174.62 173.42 1pbo s TYR 79 N -2.68 2.31 0.07 3.99 1.51 0.42 -0.30 117.35 122.68 1pbo s TYR 79 Ca 0.66 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 56.42 1pbo s TYR 79 Cb -0.22 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1pbo s TYR 79 CO 0.60 0.45 -0.16 0.14 -1.11 0.00 0.00 175.55 175.47 1pbo s VAL 80 N -1.48 1.31 0.11 0.71 -7.23 -0.77 -0.27 120.40 112.78 1pbo s VAL 80 Ca 0.19 -1.31 -0.23 0.00 -1.81 0.00 0.00 61.98 58.82 1pbo s VAL 80 Cb -0.09 -1.22 0.06 0.00 0.56 0.00 0.00 36.38 35.70 1pbo s VAL 80 CO 0.09 -0.11 0.57 0.00 -0.31 0.00 0.00 175.10 175.34 1pbo s ALA 81 N -1.14 -1.49 -0.32 1.32 0.00 -0.39 -1.88 121.76 117.88 1pbo s ALA 81 Ca 0.02 0.55 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 1pbo s ALA 81 Cb -0.10 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1pbo s ALA 81 CO 0.03 -0.65 0.15 -0.51 0.00 0.00 0.00 175.76 174.77 1pbo s ASP 82 N -2.41 5.50 -0.30 0.00 1.11 -1.26 -0.42 116.67 118.88 1pbo s ASP 82 Ca -0.01 -0.63 -0.09 0.00 0.18 0.00 0.00 52.55 51.99 1pbo s ASP 82 Cb -0.00 -1.98 0.17 0.00 1.07 0.00 0.00 42.92 42.17 1pbo s ASP 82 CO -0.08 -0.22 0.83 -0.47 1.18 0.00 0.00 175.17 176.41 1pbo s TYR 83 N 1.58 -1.04 -1.40 4.23 5.04 -1.26 -4.93 117.35 119.57 1pbo s TYR 83 Ca 0.04 1.36 -0.01 0.00 -2.44 0.00 0.00 57.07 56.02 1pbo s TYR 83 Cb -0.17 0.46 0.01 0.00 0.35 0.00 0.00 41.96 42.61 1pbo s TYR 83 CO 0.06 -0.55 0.52 0.39 -1.34 0.00 0.00 175.55 174.63 1pbo n GLU 84 N 5.33 -3.75 0.00 4.97 -0.58 -1.26 -4.50 120.64 120.85 1pbo n GLU 84 Ca -0.06 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 1pbo n GLU 84 Cb 0.52 -4.74 0.00 0.00 -0.57 0.00 0.00 31.44 26.65 1pbo n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pbo n GLY 85 N -1.85 0.20 3.44 0.62 0.00 -1.26 -4.25 105.19 102.08 1pbo n GLY 85 Ca -0.28 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1pbo n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pbo s GLN 86 N 0.00 2.38 0.03 1.61 -1.52 -0.50 -4.50 119.66 117.16 1pbo s GLN 86 Ca 0.00 -0.77 0.05 0.00 -1.95 0.00 0.00 55.36 52.69 1pbo s GLN 86 Cb 0.00 -2.28 -0.02 0.00 -0.22 0.00 0.00 33.01 30.48 1pbo s GLN 86 CO 0.00 0.60 -0.15 -0.80 -0.25 0.00 0.00 175.29 174.69 1pbo s ASN 87 N -0.77 1.79 -0.09 5.90 0.01 0.44 -0.75 114.94 121.46 1pbo s ASN 87 Ca 0.11 -0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 51.81 1pbo s ASN 87 Cb -0.10 -0.13 0.03 0.00 0.41 0.00 0.00 41.25 41.46 1pbo s ASN 87 CO 0.01 0.07 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.97 1pbo s VAL 88 N -0.78 0.49 0.14 1.60 1.01 -0.52 -1.26 120.40 121.09 1pbo s VAL 88 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1pbo s VAL 88 Cb -0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1pbo s VAL 88 CO 0.01 0.21 -0.10 0.72 0.00 0.00 0.00 175.10 175.94 1pbo s PHE 89 N 1.92 1.27 -0.07 5.22 -0.12 0.62 -0.96 117.98 125.85 1pbo s PHE 89 Ca 0.04 -0.73 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 1pbo s PHE 89 Cb -0.13 -0.65 0.01 0.00 -0.63 0.00 0.00 43.02 41.63 1pbo s PHE 89 CO -0.06 0.09 -0.14 0.21 -0.05 0.00 0.00 175.22 175.27 1pbo s LYS 90 N -3.60 1.88 0.01 1.99 2.20 -0.29 -0.44 119.74 121.50 1pbo s LYS 90 Ca 0.15 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1pbo s LYS 90 Cb 0.02 -1.55 -0.03 0.00 -1.51 0.00 0.00 37.83 34.75 1pbo s LYS 90 CO 0.01 0.02 0.97 0.42 -0.36 0.00 0.00 175.35 176.41 1pbo s ILE 91 N 0.70 4.84 -0.23 5.43 1.01 -1.26 -1.84 121.20 129.85 1pbo s ILE 91 Ca -0.14 2.05 0.01 0.00 0.00 0.00 0.00 60.65 62.57 1pbo s ILE 91 Cb -0.16 -4.31 -0.19 0.00 0.01 0.00 0.00 42.46 37.81 1pbo s ILE 91 CO 0.03 0.17 -0.11 0.52 0.00 0.00 0.00 174.94 175.56 1pbo n VAL 92 N 3.81 1.55 -3.72 2.92 0.31 0.36 -4.97 118.33 118.59 1pbo n VAL 92 Ca 0.06 -0.59 -0.12 0.00 -0.01 0.00 0.00 64.34 63.67 1pbo n VAL 92 Cb 0.51 -1.47 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 1pbo n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1pbo s SER 93 N -6.61 -0.46 0.31 4.52 1.04 -1.10 -5.00 113.70 106.40 1pbo s SER 93 Ca -0.32 0.85 0.03 0.00 0.48 0.00 0.00 55.95 56.98 1pbo s SER 93 Cb 0.09 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.96 1pbo s SER 93 CO 0.64 -0.16 0.09 -0.22 0.98 0.00 0.00 173.24 174.56 1pbo s LEU 94 N 0.70 1.92 0.00 2.42 0.20 -1.26 -0.84 118.68 121.82 1pbo s LEU 94 Ca -0.04 -1.44 0.00 0.00 0.69 0.00 0.00 54.13 53.35 1pbo s LEU 94 Cb -0.05 -0.15 0.00 0.00 -0.43 0.00 0.00 46.19 45.56 1pbo s LEU 94 CO -0.05 -0.72 0.00 -1.54 -0.29 0.00 0.00 176.35 173.75 1pbo n SER 95 N -0.71 0.00 -0.19 3.68 3.41 -0.74 -4.91 113.62 114.16 1pbo n SER 95 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1pbo n SER 95 Cb 0.66 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.87 1pbo n SER 95 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1pbo h ARG 96 N 0.00 0.94 0.00 4.33 2.43 -2.01 -3.28 114.38 116.79 1pbo h ARG 96 Ca 0.00 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1pbo h ARG 96 Cb 0.00 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1pbo h ARG 96 CO 0.00 0.64 -2.11 0.25 -1.51 0.00 0.00 179.97 177.23 1pbo n THR 97 N -4.41 0.48 -4.24 0.20 -2.24 -1.26 -4.67 114.28 98.14 1pbo n THR 97 Ca 0.07 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1pbo n THR 97 Cb 0.05 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 1pbo n THR 97 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1pbo s HIS 98 N -3.13 1.19 -0.19 4.78 -3.43 -1.24 -0.65 115.29 112.62 1pbo s HIS 98 Ca -0.09 -0.89 -0.04 0.00 -0.80 0.00 0.00 55.06 53.25 1pbo s HIS 98 Cb 0.11 -0.65 0.09 0.00 -1.43 0.00 0.00 32.58 30.69 1pbo s HIS 98 CO 0.86 -0.07 0.23 -1.17 -2.00 0.00 0.00 174.74 172.59 1pbo s LEU 99 N -3.15 -0.14 -0.20 5.38 1.98 -0.75 -1.79 118.68 120.01 1pbo s LEU 99 Ca 0.19 -0.10 -0.06 0.00 -2.89 0.00 0.00 54.13 51.27 1pbo s LEU 99 Cb 0.05 0.43 -0.03 0.00 0.66 0.00 0.00 46.19 47.29 1pbo s LEU 99 CO 0.01 -0.31 0.04 -0.69 -1.89 0.00 0.00 176.35 173.51 1pbo s VAL 100 N 2.34 4.40 0.13 1.68 1.01 -0.02 -1.00 120.40 128.94 1pbo s VAL 100 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1pbo s VAL 100 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1pbo s VAL 100 CO -0.11 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.41 1pbo s ALA 101 N 0.82 1.04 -0.04 5.51 0.00 -0.38 -0.49 121.76 128.22 1pbo s ALA 101 Ca 0.02 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.54 1pbo s ALA 101 Cb -0.14 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1pbo s ALA 101 CO 0.02 -0.36 -0.08 -1.58 0.00 0.00 0.00 175.76 173.77 1pbo s HIS 102 N -3.80 0.98 0.03 0.00 5.65 -0.77 -1.01 115.29 116.38 1pbo s HIS 102 Ca 0.20 -0.29 0.06 0.00 0.25 0.00 0.00 55.06 55.27 1pbo s HIS 102 Cb 0.07 -0.76 -0.02 0.00 -1.18 0.00 0.00 32.58 30.68 1pbo s HIS 102 CO -0.00 -0.18 -0.16 1.21 -0.65 0.00 0.00 174.74 174.96 1pbo s ASN 103 N 0.60 1.93 -0.19 9.88 3.04 -0.53 -1.13 114.94 128.53 1pbo s ASN 103 Ca -0.10 -0.44 -0.00 0.00 0.04 0.00 0.00 52.86 52.36 1pbo s ASN 103 Cb -0.13 -0.15 0.01 0.00 -1.54 0.00 0.00 41.25 39.44 1pbo s ASN 103 CO 0.01 0.10 -0.16 -0.63 -3.04 0.00 0.00 177.10 173.38 1pbo s ILE 104 N -0.73 2.39 -0.06 -5.21 1.01 -0.13 -0.45 121.20 118.02 1pbo s ILE 104 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1pbo s ILE 104 Cb -0.08 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1pbo s ILE 104 CO 0.01 0.51 -0.09 0.21 0.00 0.00 0.00 174.94 175.58 1pbo s ASN 105 N 1.33 4.48 -0.23 3.58 3.84 -0.18 -1.44 114.94 126.33 1pbo s ASN 105 Ca 0.05 -0.08 0.01 0.00 0.21 0.00 0.00 52.86 53.05 1pbo s ASN 105 Cb -0.13 -1.07 0.06 0.00 -0.55 0.00 0.00 41.25 39.55 1pbo s ASN 105 CO -0.10 0.35 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.82 1pbo s VAL 106 N -0.81 1.49 0.71 -5.21 1.01 0.07 -0.79 120.40 116.88 1pbo s VAL 106 Ca 0.13 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1pbo s VAL 106 Cb -0.11 -1.76 0.17 0.00 0.00 0.00 0.00 36.38 34.68 1pbo s VAL 106 CO 0.02 -0.10 0.85 -0.90 0.00 0.00 0.00 175.10 174.96 1pbo n ASP 107 N 4.69 -0.52 0.08 3.32 5.68 -0.70 -1.41 116.55 127.69 1pbo n ASP 107 Ca -0.12 -1.20 0.19 0.00 -0.50 0.00 0.00 54.79 53.16 1pbo n ASP 107 Cb 0.44 -0.68 0.74 0.00 -1.14 0.00 0.00 41.12 40.48 1pbo n ASP 107 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1pbo h LYS 108 N 0.00 0.00 -0.59 0.11 1.57 -1.90 -2.01 116.57 113.74 1pbo h LYS 108 Ca -0.29 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1pbo h LYS 108 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1pbo h LYS 108 CO 0.20 0.00 0.03 0.72 -0.57 0.00 0.00 179.45 179.82 1pbo n HIS 109 N -4.08 2.14 -0.43 -1.35 8.25 -1.26 -4.91 115.22 113.58 1pbo n HIS 109 Ca 0.07 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 1pbo n HIS 109 Cb 0.52 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1pbo n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pbo n GLY 110 N 0.55 1.64 3.70 -1.41 0.00 -0.76 -4.96 105.19 103.95 1pbo n GLY 110 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1pbo n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pbo s GLN 111 N -0.09 4.20 -0.17 1.61 -0.21 -1.26 -4.77 119.66 118.96 1pbo s GLN 111 Ca 0.00 2.33 -0.12 0.00 0.02 0.00 0.00 55.36 57.59 1pbo s GLN 111 Cb 0.00 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 1pbo s GLN 111 CO 0.00 -0.71 0.23 0.21 -2.12 0.00 0.00 175.29 172.91 1pbo s LYS 112 N 2.33 4.20 -0.04 2.91 2.20 -1.26 -1.72 119.74 128.36 1pbo s LYS 112 Ca 0.73 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 1pbo s LYS 112 Cb -0.40 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1pbo s LYS 112 CO 0.32 0.28 -0.13 0.99 -0.36 0.00 0.00 175.35 176.45 1pbo s THR 113 N 0.36 1.11 -0.19 3.43 2.01 0.03 -4.97 115.64 117.42 1pbo s THR 113 Ca 0.14 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1pbo s THR 113 Cb -0.12 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1pbo s THR 113 CO 0.02 0.33 0.07 -1.61 -0.69 0.00 0.00 174.62 172.74 1pbo s GLU 114 N 0.18 3.98 0.17 4.92 0.41 -1.26 -1.01 118.70 126.10 1pbo s GLU 114 Ca -0.05 -0.34 0.09 0.00 -0.41 0.00 0.00 54.97 54.26 1pbo s GLU 114 Cb -0.11 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 1pbo s GLU 114 CO 0.02 0.24 -0.19 -0.51 -0.49 0.00 0.00 175.26 174.33 1pbo s LEU 115 N 0.46 2.44 0.15 1.80 1.02 0.40 -1.48 118.68 123.48 1pbo s LEU 115 Ca 0.04 -0.87 0.06 0.00 0.02 0.00 0.00 54.13 53.38 1pbo s LEU 115 Cb -0.12 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 45.16 1pbo s LEU 115 CO 0.00 -0.01 -0.13 0.42 0.02 0.00 0.00 176.35 176.66 1pbo s THR 116 N -2.01 1.39 -0.11 5.49 -4.23 -0.29 -1.46 115.64 114.42 1pbo s THR 116 Ca 0.17 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.40 1pbo s THR 116 Cb -0.06 -1.79 0.07 0.00 1.34 0.00 0.00 72.50 72.06 1pbo s THR 116 CO 0.07 -0.59 0.69 -0.83 -0.54 0.00 0.00 174.62 173.42 1pbo s GLY 117 N -2.96 -0.57 -0.12 3.99 0.00 -0.18 -1.17 107.32 106.31 1pbo s GLY 117 Ca 0.16 1.52 0.02 0.00 0.00 0.00 0.00 44.72 46.41 1pbo s GLY 117 CO 0.03 1.18 -0.17 -2.27 0.00 0.00 0.00 173.10 171.87 1pbo s LEU 118 N -0.76 1.81 0.02 0.66 2.96 -0.31 -1.24 118.68 121.81 1pbo s LEU 118 Ca -0.08 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1pbo s LEU 118 Cb -0.01 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 1pbo s LEU 118 CO 0.07 0.02 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.62 1pbo s PHE 119 N 1.02 1.32 0.09 5.38 0.40 -0.17 -1.23 117.98 124.78 1pbo s PHE 119 Ca -0.05 -0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1pbo s PHE 119 Cb -0.15 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 1pbo s PHE 119 CO -0.03 0.02 -0.21 0.14 0.70 0.00 0.00 175.22 175.84 1pbo s VAL 120 N -0.63 2.63 -0.03 -0.44 -7.23 0.43 -1.81 120.40 113.32 1pbo s VAL 120 Ca 0.04 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 1pbo s VAL 120 Cb -0.07 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1pbo s VAL 120 CO 0.01 0.19 0.38 -0.75 -0.31 0.00 0.00 175.10 174.62 1pbo s LYS 121 N -1.84 3.94 -0.81 4.82 2.20 0.18 -0.01 119.74 128.22 1pbo s LYS 121 Ca 0.16 0.34 -0.19 0.00 -0.36 0.00 0.00 55.97 55.91 1pbo s LYS 121 Cb -0.10 -3.25 0.12 0.00 -1.51 0.00 0.00 37.83 33.08 1pbo s LYS 121 CO 0.07 0.62 1.01 -0.51 -0.36 0.00 0.00 175.35 176.17 1pbo s LEU 122 N -0.81 5.02 -0.40 5.43 1.02 0.03 -4.91 118.68 124.07 1pbo s LEU 122 Ca 0.23 -1.72 -0.25 0.00 0.02 0.00 0.00 54.13 52.41 1pbo s LEU 122 Cb -0.16 -2.38 0.02 0.00 0.02 0.00 0.00 46.19 43.69 1pbo s LEU 122 CO 0.12 -1.14 0.89 0.20 0.02 0.00 0.00 176.35 176.44 1pbo s ASN 123 N 3.57 6.59 -0.26 2.29 0.01 -1.26 -4.60 114.94 121.27 1pbo s ASN 123 Ca 0.26 0.37 -0.08 0.00 -0.71 0.00 0.00 52.86 52.70 1pbo s ASN 123 Cb -0.11 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 1pbo s ASN 123 CO -0.02 -0.90 0.09 -0.69 -1.51 0.00 0.00 177.10 174.07 1pbo s VAL 124 N 3.49 4.43 0.24 1.60 1.01 -1.26 -5.08 120.40 124.83 1pbo s VAL 124 Ca 0.36 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1pbo s VAL 124 Cb -0.12 -3.11 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 1pbo s VAL 124 CO 0.21 0.28 0.66 -1.61 0.00 0.00 0.00 175.10 174.64 1pbo s GLU 125 N 1.62 4.02 0.13 2.72 2.02 -1.26 -4.98 118.70 122.97 1pbo s GLU 125 Ca 0.06 0.61 -0.19 0.00 0.02 0.00 0.00 54.97 55.47 1pbo s GLU 125 Cb -0.16 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1pbo s GLU 125 CO 0.05 0.31 1.78 -0.44 0.02 0.00 0.00 175.26 176.98 1pbo h ASP 126 N 2.87 0.28 -0.95 -0.19 5.19 -1.98 0.74 116.42 122.39 1pbo h ASP 126 Ca -0.48 -0.02 0.14 0.00 -0.62 0.00 0.00 57.03 56.06 1pbo h ASP 126 Cb 1.18 -0.07 -0.09 0.00 0.18 0.00 0.00 39.33 40.53 1pbo h ASP 126 CO 0.66 0.21 0.56 -0.08 -3.12 0.00 0.00 179.24 177.48 1pbo h GLU 127 N 0.32 0.81 0.04 3.56 4.81 -2.00 0.05 114.58 122.18 1pbo h GLU 127 Ca 0.09 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.01 1pbo h GLU 127 Cb -0.03 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.18 1pbo h GLU 127 CO -0.02 0.53 -1.08 -0.44 -0.73 0.00 0.00 179.01 177.28 1pbo h ASP 128 N 0.83 0.72 -0.67 1.04 3.32 -1.84 -2.89 116.42 116.93 1pbo h ASP 128 Ca 0.50 -0.61 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1pbo h ASP 128 Cb 0.61 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1pbo h ASP 128 CO -0.31 1.42 0.20 -0.07 -1.72 0.00 0.00 179.24 178.76 1pbo h LEU 129 N 0.27 1.00 -0.29 1.55 3.38 -0.15 -1.78 115.31 119.28 1pbo h LEU 129 Ca -0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1pbo h LEU 129 Cb 1.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1pbo h LEU 129 CO 0.20 0.94 0.08 -0.33 0.09 0.00 0.00 178.44 179.42 1pbo h GLU 130 N 1.02 0.46 -0.65 1.13 5.08 -1.05 -0.72 114.58 119.85 1pbo h GLU 130 Ca 0.22 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1pbo h GLU 130 Cb 0.31 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1pbo h GLU 130 CO -0.00 0.52 0.39 -0.22 -1.00 0.00 0.00 179.01 178.70 1pbo h LYS 131 N 0.31 0.72 -0.60 2.33 1.63 -1.35 0.15 116.57 119.76 1pbo h LYS 131 Ca 0.09 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1pbo h LYS 131 Cb 0.26 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1pbo h LYS 131 CO -0.00 0.48 0.36 0.35 -3.45 0.00 0.00 179.45 177.18 1pbo h PHE 132 N 0.74 0.80 -0.51 1.91 3.57 -1.06 -1.90 116.94 120.49 1pbo h PHE 132 Ca 0.27 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 1pbo h PHE 132 Cb 0.08 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1pbo h PHE 132 CO -0.06 0.55 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.93 1pbo h TRP 133 N 0.81 1.13 0.42 0.41 -0.00 0.02 -0.58 115.95 118.16 1pbo h TRP 133 Ca 0.22 -0.25 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 1pbo h TRP 133 Cb -0.01 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.16 28.88 1pbo h TRP 133 CO -0.02 1.07 -0.24 -0.22 -0.00 0.00 0.00 178.44 179.03 1pbo h LYS 134 N 0.88 -0.60 -0.79 0.49 3.64 -0.57 -1.60 116.57 118.02 1pbo h LYS 134 Ca 0.13 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1pbo h LYS 134 Cb 0.73 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.60 1pbo h LYS 134 CO 0.06 -0.40 0.41 1.25 -2.27 0.00 0.00 179.45 178.50 1pbo h LEU 135 N -0.62 0.54 -1.20 5.20 5.85 -1.22 0.24 115.31 124.10 1pbo h LEU 135 Ca -0.05 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1pbo h LEU 135 Cb 0.50 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1pbo h LEU 135 CO 0.06 0.29 0.26 0.74 -0.34 0.00 0.00 178.44 179.45 1pbo h THR 136 N 0.66 1.20 -0.10 1.05 2.02 -0.86 -1.96 112.91 114.92 1pbo h THR 136 Ca 0.40 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 1pbo h THR 136 Cb 0.45 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1pbo h THR 136 CO -0.29 0.23 -0.24 -0.33 0.37 0.00 0.00 175.52 175.26 1pbo h GLU 137 N 0.81 0.34 -0.94 6.66 5.08 0.34 0.20 114.58 127.07 1pbo h GLU 137 Ca 0.20 -0.23 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 1pbo h GLU 137 Cb 0.11 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 1pbo h GLU 137 CO -0.02 0.84 0.60 -0.44 -1.00 0.00 0.00 179.01 178.98 1pbo h ASP 138 N -0.11 0.69 -0.18 1.42 5.19 -0.46 0.33 116.42 123.30 1pbo h ASP 138 Ca -0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1pbo h ASP 138 Cb 0.85 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1pbo h ASP 138 CO 0.05 0.32 0.00 0.29 -3.12 0.00 0.00 179.24 176.78 1pbo n LYS 139 N -4.60 1.51 -3.04 3.56 4.76 -0.77 -4.88 118.16 114.70 1pbo n LYS 139 Ca 0.19 -0.68 -0.22 0.00 -2.87 0.00 0.00 58.31 54.73 1pbo n LYS 139 Cb 0.51 -1.23 0.02 0.00 -1.84 0.00 0.00 35.03 32.49 1pbo n LYS 139 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pbo n GLY 140 N 0.69 -0.51 3.72 0.72 0.00 0.12 -4.95 105.19 104.97 1pbo n GLY 140 Ca 0.06 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1pbo n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pbo s ILE 141 N -3.10 5.13 0.03 -0.61 1.01 0.70 -5.01 121.20 119.36 1pbo s ILE 141 Ca 0.30 1.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.77 1pbo s ILE 141 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1pbo s ILE 141 CO 0.37 0.31 0.97 -0.62 0.00 0.00 0.00 174.94 175.96 1pbo s ASP 142 N 0.62 7.40 0.58 3.58 2.15 -1.26 -4.48 116.67 125.26 1pbo s ASP 142 Ca 0.30 1.69 0.33 0.00 0.43 0.00 0.00 52.55 55.29 1pbo s ASP 142 Cb -0.16 -2.57 1.36 0.00 -0.30 0.00 0.00 42.92 41.25 1pbo s ASP 142 CO 0.13 -0.19 1.66 0.11 -0.17 0.00 0.00 175.17 176.71 1pbo h LYS 143 N 6.40 0.00 -0.02 4.34 1.57 -1.96 1.16 116.57 128.06 1pbo h LYS 143 Ca -0.42 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 1pbo h LYS 143 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1pbo h LYS 143 CO 0.74 0.00 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.97 1pbo h LYS 144 N 0.00 0.04 -1.53 3.15 3.64 -2.04 -3.08 116.57 116.74 1pbo h LYS 144 Ca 0.47 -0.02 -0.44 0.00 -1.27 0.00 0.00 60.65 59.39 1pbo h LYS 144 Cb 2.27 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.92 1pbo h LYS 144 CO -0.00 0.47 0.52 0.09 -2.27 0.00 0.00 179.45 178.26 1pbo n ASN 145 N -4.02 6.75 -4.02 4.20 3.02 0.40 -4.86 115.26 116.73 1pbo n ASN 145 Ca -0.02 -3.26 -0.23 0.00 -0.03 0.00 0.00 54.58 51.05 1pbo n ASN 145 Cb 0.46 -1.08 -0.16 0.00 -0.61 0.00 0.00 39.78 38.40 1pbo n ASN 145 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pbo s VAL 146 N -2.86 1.00 -0.13 2.41 1.01 -1.17 -4.84 120.40 115.83 1pbo s VAL 146 Ca 0.43 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1pbo s VAL 146 Cb 0.33 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1pbo s VAL 146 CO -0.06 0.31 -0.07 -0.69 0.00 0.00 0.00 175.10 174.59 1pbo s VAL 147 N 0.41 3.60 -0.42 2.92 1.01 -1.26 -5.08 120.40 121.58 1pbo s VAL 147 Ca -0.08 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1pbo s VAL 147 Cb -0.12 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1pbo s VAL 147 CO 0.02 0.53 0.66 0.21 0.00 0.00 0.00 175.10 176.51 1pbo s ASN 148 N 0.10 6.36 0.20 3.32 3.84 -1.26 -4.95 114.94 122.55 1pbo s ASN 148 Ca -0.03 -0.20 0.24 0.00 0.21 0.00 0.00 52.86 53.08 1pbo s ASN 148 Cb -0.14 -2.33 0.31 0.00 -0.55 0.00 0.00 41.25 38.54 1pbo s ASN 148 CO 0.03 -0.76 1.35 -0.26 -2.79 0.00 0.00 177.10 174.67 1pbo h PHE 149 N 8.80 0.00 -0.14 0.43 -1.00 -1.98 -3.36 116.94 119.69 1pbo h PHE 149 Ca -0.26 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.33 1pbo h PHE 149 Cb 1.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.66 1pbo h PHE 149 CO 0.74 0.00 -0.72 -0.07 -1.61 0.00 0.00 178.31 176.66 1pbo h LEU 150 N 0.00 0.73 -5.49 1.54 3.38 -2.03 -3.30 115.31 110.14 1pbo h LEU 150 Ca 0.00 -0.46 -0.63 0.00 0.09 0.00 0.00 57.88 56.88 1pbo h LEU 150 Cb 0.85 -0.21 -0.39 0.00 0.09 0.00 0.00 40.66 40.99 1pbo h LEU 150 CO 0.00 1.22 -0.35 -1.84 0.09 0.00 0.00 178.44 177.57 1pbo n GLU 151 N -3.90 3.61 -5.01 1.13 0.28 -1.26 -5.03 120.64 110.45 1pbo n GLU 151 Ca -0.05 -4.83 -0.32 0.00 -0.16 0.00 0.00 57.16 51.80 1pbo n GLU 151 Cb 0.71 -2.28 -0.14 0.00 1.43 0.00 0.00 31.44 31.15 1pbo n GLU 151 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1pbo s ASN 152 N -3.08 3.68 -0.03 -1.84 3.84 -1.25 -5.00 114.94 111.27 1pbo s ASN 152 Ca 0.47 -0.33 -0.24 0.00 0.21 0.00 0.00 52.86 52.97 1pbo s ASN 152 Cb 0.26 -0.93 -0.21 0.00 -0.55 0.00 0.00 41.25 39.82 1pbo s ASN 152 CO -0.13 0.28 1.16 -0.33 -2.79 0.00 0.00 177.10 175.29 1pbo h GLU 153 N 5.79 0.14 -5.50 0.43 4.39 -1.93 -3.38 114.58 114.51 1pbo h GLU 153 Ca -0.39 -0.10 -0.33 0.00 0.34 0.00 0.00 59.36 58.88 1pbo h GLU 153 Cb 1.17 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.79 1pbo h GLU 153 CO 0.50 0.74 1.04 0.34 -1.16 0.00 0.00 179.01 180.47 1pbo s ASP 154 N -6.05 5.06 0.14 1.42 2.15 -1.26 -4.90 116.67 113.23 1pbo s ASP 154 Ca -0.16 -1.56 0.04 0.00 0.43 0.00 0.00 52.55 51.31 1pbo s ASP 154 Cb 0.02 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1pbo s ASP 154 CO 0.72 -3.02 -0.10 -1.38 -0.17 0.00 0.00 175.17 171.21 1pbo s HIS 155 N 10.85 1.24 0.97 -5.34 -3.43 -1.26 -5.14 115.29 113.18 1pbo s HIS 155 Ca 0.68 -0.73 -0.12 0.00 -0.80 0.00 0.00 55.06 54.09 1pbo s HIS 155 Cb -0.01 -0.64 0.17 0.00 -1.43 0.00 0.00 32.58 30.67 1pbo s HIS 155 CO 0.11 0.07 1.09 -1.25 -2.00 0.00 0.00 174.74 172.76 1pbo s PRO 156 N -3.54 0.62 -0.15 -0.38 0.04 -1.26 -5.04 135.00 125.29 1pbo s PRO 156 Ca 0.14 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.92 1pbo s PRO 156 Cb 0.01 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1pbo s PRO 156 CO 0.01 -2.66 -0.14 -1.01 0.04 0.00 0.00 177.00 173.24 1pbo s HIS 157 N -2.87 2.80 -1.08 0.56 3.76 -1.26 -5.00 115.29 112.21 1pbo s HIS 157 Ca 0.65 -0.83 0.13 0.00 -0.15 0.00 0.00 55.06 54.85 1pbo s HIS 157 Cb -0.19 -1.88 0.56 0.00 1.11 0.00 0.00 32.58 32.18 1pbo s HIS 157 CO 0.58 -0.35 1.39 -0.35 -0.85 0.00 0.00 174.74 175.16 1pbo n PRO 158 N 3.83 0.04 0.00 8.40 -0.04 -1.26 -5.30 135.00 140.67 1pbo n PRO 158 Ca -0.19 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1pbo n PRO 158 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1pbo n PRO 158 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61