#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s ASP -7 N 0.00 6.78 0.22 6.43 3.68 -1.26 -4.92 116.67 127.60 3bdm s ASP -7 Ca 0.00 0.90 -0.08 0.00 2.13 0.00 0.00 52.55 55.50 3bdm s ASP -7 Cb 0.00 -2.54 0.32 0.00 -1.45 0.00 0.00 42.92 39.25 3bdm s ASP -7 CO 0.00 -1.04 1.77 -0.65 0.13 0.00 0.00 175.17 175.38 3bdm h PRO -6 N 8.70 0.53 0.00 4.34 0.11 -2.02 -1.38 132.00 142.28 3bdm h PRO -6 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3bdm h PRO -6 Cb 1.07 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3bdm h PRO -6 CO 1.06 0.35 0.00 0.43 -0.21 0.00 0.00 178.00 179.63 3bdm n SER -5 N -4.90 0.00 -2.66 -2.05 7.64 -1.26 -2.78 113.62 107.61 3bdm n SER -5 Ca 0.10 -0.47 -0.06 0.00 1.01 0.00 0.00 58.87 59.45 3bdm n SER -5 Cb 0.28 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 3bdm n SER -5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3bdm n SER -4 N -0.84 2.31 -0.10 6.43 7.64 -0.52 -4.60 113.62 123.95 3bdm n SER -4 Ca 0.06 -2.43 -0.15 0.00 1.01 0.00 0.00 58.87 57.36 3bdm n SER -4 Cb 0.03 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 62.69 3bdm n SER -4 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3bdm n ILE -3 N -0.60 1.12 -0.11 0.44 5.41 -1.12 -4.77 119.36 119.73 3bdm n ILE -3 Ca 0.15 -0.41 -0.14 0.00 1.00 0.00 0.00 62.75 63.35 3bdm n ILE -3 Cb 0.83 -1.28 -0.13 0.00 -0.71 0.00 0.00 39.64 38.36 3bdm n ILE -3 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3bdm n ASN -2 N -3.20 1.49 0.00 4.38 5.03 -1.25 -1.21 115.26 120.51 3bdm n ASN -2 Ca -0.35 -0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.01 3bdm n ASN -2 Cb 0.86 0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.68 3bdm n ASN -2 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bdm n GLY -1 N 2.16 -2.36 0.00 7.41 0.00 -1.26 -2.19 105.19 108.94 3bdm n GLY -1 Ca -0.39 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3bdm n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 1 N -0.57 3.03 3.15 -0.02 0.00 -0.88 -4.59 105.19 105.31 3bdm n GLY 1 Ca 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 3bdm n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bdm s ILE 2 N -2.76 0.17 -0.02 -0.61 -4.36 -1.26 -2.22 121.20 110.14 3bdm s ILE 2 Ca 0.00 -1.43 -0.06 0.00 -0.26 0.00 0.00 60.65 58.91 3bdm s ILE 2 Cb 0.00 -1.38 0.01 0.00 1.25 0.00 0.00 42.46 42.34 3bdm s ILE 2 CO 0.00 -0.79 0.13 -0.69 0.24 0.00 0.00 174.94 173.83 3bdm s VAL 3 N -3.78 0.05 -0.07 8.37 1.01 0.19 -2.65 120.40 123.51 3bdm s VAL 3 Ca 0.05 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 3bdm s VAL 3 Cb 0.06 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.14 3bdm s VAL 3 CO -0.10 -0.22 0.25 0.54 0.00 0.00 0.00 175.10 175.57 3bdm s VAL 4 N -0.74 0.02 -0.01 2.92 0.11 -0.23 -1.16 120.40 121.31 3bdm s VAL 4 Ca -0.08 -0.15 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 3bdm s VAL 4 Cb -0.05 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3bdm s VAL 4 CO 0.01 -0.08 -0.12 0.00 -3.33 0.00 0.00 175.10 171.58 3bdm s ALA 5 N -0.25 0.99 0.08 1.54 0.00 -0.56 -0.23 121.76 123.34 3bdm s ALA 5 Ca -0.04 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3bdm s ALA 5 Cb -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3bdm s ALA 5 CO 0.01 0.24 -0.08 -1.64 0.00 0.00 0.00 175.76 174.30 3bdm s MET 6 N -0.29 0.74 -0.03 0.00 -1.94 0.23 -1.76 119.30 116.25 3bdm s MET 6 Ca 0.05 -1.12 0.05 0.00 -1.71 0.00 0.00 55.69 52.96 3bdm s MET 6 Cb -0.05 -0.31 -0.02 0.00 2.01 0.00 0.00 34.83 36.46 3bdm s MET 6 CO -0.00 0.03 -0.18 0.95 -0.01 0.00 0.00 175.02 175.80 3bdm s THR 7 N -2.66 2.73 0.00 2.05 -4.23 -0.94 0.79 115.64 113.39 3bdm s THR 7 Ca 0.04 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 3bdm s THR 7 Cb -0.01 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.78 3bdm s THR 7 CO -0.02 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 3bdm n GLY 8 N 2.30 5.70 3.62 3.99 0.00 0.66 -4.61 105.19 116.85 3bdm n GLY 8 Ca -0.17 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 3bdm n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bdm s LYS 9 N 1.66 3.85 -1.69 1.61 2.47 0.24 -3.71 119.74 124.16 3bdm s LYS 9 Ca 0.00 0.82 -0.18 0.00 -1.56 0.00 0.00 55.97 55.04 3bdm s LYS 9 Cb 0.00 -3.85 0.15 0.00 -1.46 0.00 0.00 37.83 32.67 3bdm s LYS 9 CO 0.00 -1.20 0.81 -0.25 0.16 0.00 0.00 175.35 174.87 3bdm n ASP 10 N 7.54 -3.47 -3.47 1.43 10.43 -1.26 -4.71 116.55 123.05 3bdm n ASP 10 Ca 0.12 -0.99 -0.11 0.00 2.57 0.00 0.00 54.79 56.38 3bdm n ASP 10 Cb 0.48 -2.86 -0.03 0.00 1.84 0.00 0.00 41.12 40.56 3bdm n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3bdm s VAL 12 N -3.11 0.23 0.07 0.00 -7.23 -0.66 -0.25 120.40 109.45 3bdm s VAL 12 Ca 0.01 -0.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.57 3bdm s VAL 12 Cb -0.01 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 3bdm s VAL 12 CO -0.08 -0.29 -0.19 0.00 -0.31 0.00 0.00 175.10 174.22 3bdm s ALA 13 N -0.97 1.65 -0.08 1.32 0.00 0.24 -0.86 121.76 123.06 3bdm s ALA 13 Ca -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 3bdm s ALA 13 Cb -0.07 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.83 3bdm s ALA 13 CO -0.00 0.34 0.18 -1.50 0.00 0.00 0.00 175.76 174.78 3bdm s ILE 14 N -0.99 -0.04 0.06 0.00 2.07 -0.91 0.75 121.20 122.14 3bdm s ILE 14 Ca 0.05 0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.44 3bdm s ILE 14 Cb -0.09 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 3bdm s ILE 14 CO 0.03 0.06 -0.05 0.00 -1.91 0.00 0.00 174.94 173.06 3bdm s ALA 15 N 1.01 0.63 0.17 1.50 0.00 0.69 -1.28 121.76 124.46 3bdm s ALA 15 Ca -0.08 -1.08 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 3bdm s ALA 15 Cb -0.09 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 3bdm s ALA 15 CO -0.06 -0.22 0.32 0.00 0.00 0.00 0.00 175.76 175.80 3bdm n ASP 17 N -0.23 0.85 -0.06 0.00 3.85 -1.08 -1.40 116.55 118.47 3bdm n ASP 17 Ca -0.08 -1.81 0.05 0.00 -0.71 0.00 0.00 54.79 52.23 3bdm n ASP 17 Cb 0.63 -0.64 0.06 0.00 -1.35 0.00 0.00 41.12 39.82 3bdm n ASP 17 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3bdm n LEU 18 N 0.00 1.94 -4.82 -2.12 4.77 0.16 -4.49 117.00 112.44 3bdm n LEU 18 Ca 0.14 -2.33 -0.34 0.00 -0.03 0.00 0.00 56.01 53.45 3bdm n LEU 18 Cb 0.50 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3bdm n LEU 18 CO 0.35 0.55 0.59 -0.60 -1.33 0.00 0.00 177.39 176.95 3bdm s ARG 19 N -1.75 4.27 -0.22 3.23 3.52 -0.97 -2.31 118.95 124.72 3bdm s ARG 19 Ca 0.15 1.06 -0.03 0.00 -0.13 0.00 0.00 55.73 56.77 3bdm s ARG 19 Cb 0.13 -2.42 0.12 0.00 -1.56 0.00 0.00 34.95 31.21 3bdm s ARG 19 CO 0.01 0.11 0.33 -1.17 -0.81 0.00 0.00 175.30 173.77 3bdm s LEU 20 N -2.80 -0.46 0.37 -0.88 1.98 -0.70 -4.65 118.68 111.54 3bdm s LEU 20 Ca 0.56 0.14 0.04 0.00 -2.89 0.00 0.00 54.13 51.98 3bdm s LEU 20 Cb -0.12 0.88 -0.03 0.00 0.66 0.00 0.00 46.19 47.58 3bdm s LEU 20 CO 0.17 -0.30 0.13 -0.83 -1.89 0.00 0.00 176.35 173.62 3bdm s GLY 21 N 2.47 2.38 -0.48 7.98 0.00 -0.93 -1.04 107.32 117.70 3bdm s GLY 21 Ca 0.10 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.33 3bdm s GLY 21 CO -0.14 -1.76 0.26 -0.45 0.00 0.00 0.00 173.10 171.01 3bdm s SER 22 N -3.53 3.92 1.37 1.64 0.15 0.47 -3.82 113.70 113.90 3bdm s SER 22 Ca 0.29 -2.85 0.00 0.00 0.70 0.00 0.00 55.95 54.09 3bdm s SER 22 Cb 0.04 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 3bdm s SER 22 CO 0.16 -0.24 0.00 0.00 1.20 0.00 0.00 173.24 174.36 3bdm n GLN 23 N 3.27 0.00 0.15 5.44 1.13 -0.35 -2.77 117.38 124.26 3bdm n GLN 23 Ca 0.08 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.15 3bdm n GLN 23 Cb 0.34 0.00 0.23 0.00 0.11 0.00 0.00 30.24 30.92 3bdm n GLN 23 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3bdm h SER 24 N 0.34 0.00 -2.94 1.08 4.64 -1.96 -3.44 113.55 111.28 3bdm h SER 24 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3bdm h SER 24 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3bdm h SER 24 CO 0.00 0.53 0.83 -0.22 -0.87 0.00 0.00 176.83 177.10 3bdm s LEU 25 N -7.42 4.28 0.01 5.97 2.96 -1.12 -5.01 118.68 118.35 3bdm s LEU 25 Ca -0.01 1.96 -0.27 0.00 -0.22 0.00 0.00 54.13 55.60 3bdm s LEU 25 Cb 0.12 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 3bdm s LEU 25 CO 0.74 -0.70 0.83 -0.83 -1.32 0.00 0.00 176.35 175.06 3bdm s GLY 26 N 1.89 2.80 -0.12 7.98 0.00 -1.26 -0.40 107.32 118.21 3bdm s GLY 26 Ca 0.61 0.35 -0.02 0.00 0.00 0.00 0.00 44.72 45.65 3bdm s GLY 26 CO 0.23 1.33 -0.13 -0.62 0.00 0.00 0.00 173.10 173.92 3bdm n VAL 27 N 3.41 0.69 -4.03 1.40 0.31 -0.21 -4.91 118.33 114.99 3bdm n VAL 27 Ca 0.01 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 3bdm n VAL 27 Cb 0.51 -1.21 -0.12 0.00 -0.91 0.00 0.00 33.84 32.10 3bdm n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3bdm s SER 28 N -5.54 0.50 -0.21 4.52 0.15 -0.23 -5.02 113.70 107.87 3bdm s SER 28 Ca -0.17 -0.34 0.12 0.00 0.70 0.00 0.00 55.95 56.26 3bdm s SER 28 Cb 0.05 0.02 0.42 0.00 -1.71 0.00 0.00 66.02 64.81 3bdm s SER 28 CO 0.26 -0.13 1.28 -0.46 1.20 0.00 0.00 173.24 175.38 3bdm n ASN 29 N 2.11 2.13 -0.32 5.45 2.04 -1.26 -1.72 115.26 123.70 3bdm n ASN 29 Ca -0.19 -3.68 0.01 0.00 -0.44 0.00 0.00 54.58 50.29 3bdm n ASN 29 Cb 0.56 -0.54 0.02 0.00 -2.53 0.00 0.00 39.78 37.30 3bdm n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3bdm n LYS 30 N -1.15 0.31 -2.77 -3.83 5.02 -1.12 -4.82 118.16 109.81 3bdm n LYS 30 Ca 0.22 -1.15 -0.42 0.00 -2.02 0.00 0.00 58.31 54.94 3bdm n LYS 30 Cb 0.78 -0.66 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 3bdm n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3bdm s PHE 31 N -0.44 2.63 0.37 2.13 5.36 -0.98 -5.01 117.98 122.04 3bdm s PHE 31 Ca 0.04 -0.57 -0.17 0.00 -0.96 0.00 0.00 56.93 55.27 3bdm s PHE 31 Cb 0.04 -4.41 -0.10 0.00 -0.34 0.00 0.00 43.02 38.21 3bdm s PHE 31 CO 0.00 -1.76 0.82 -1.21 -1.46 0.00 0.00 175.22 171.62 3bdm s GLU 32 N 4.36 4.07 0.00 10.12 2.02 -1.26 -4.30 118.70 133.71 3bdm s GLU 32 Ca 0.29 0.83 0.01 0.00 0.02 0.00 0.00 54.97 56.12 3bdm s GLU 32 Cb -0.12 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.82 3bdm s GLU 32 CO 0.07 0.07 0.97 1.63 0.02 0.00 0.00 175.26 178.02 3bdm n LYS 33 N -0.53 2.53 -4.55 1.61 5.02 -1.26 -5.00 118.16 115.98 3bdm n LYS 33 Ca 0.05 -1.45 -0.34 0.00 -2.02 0.00 0.00 58.31 54.55 3bdm n LYS 33 Cb 0.53 -1.03 -0.11 0.00 -0.02 0.00 0.00 35.03 34.40 3bdm n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bdm s ILE 34 N -0.89 3.81 0.22 -0.18 -1.09 -1.26 -0.68 121.20 121.13 3bdm s ILE 34 Ca 0.03 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3bdm s ILE 34 Cb 0.01 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 3bdm s ILE 34 CO 0.02 0.58 0.14 -0.36 -1.23 0.00 0.00 174.94 174.09 3bdm s PHE 35 N -0.60 1.26 -0.00 3.97 0.40 -0.10 -4.98 117.98 117.92 3bdm s PHE 35 Ca 0.09 -1.39 -0.15 0.00 -0.60 0.00 0.00 56.93 54.88 3bdm s PHE 35 Cb -0.12 -0.61 0.02 0.00 0.51 0.00 0.00 43.02 42.83 3bdm s PHE 35 CO 0.02 -0.64 0.32 -3.38 0.70 0.00 0.00 175.22 172.24 3bdm s HIS 36 N -4.04 -0.17 -0.31 0.36 -3.43 -1.26 -0.22 115.29 106.22 3bdm s HIS 36 Ca 0.39 0.22 -0.01 0.00 -0.80 0.00 0.00 55.06 54.86 3bdm s HIS 36 Cb 0.07 0.10 0.10 0.00 -1.43 0.00 0.00 32.58 31.42 3bdm s HIS 36 CO 0.14 -0.42 0.11 0.71 -2.00 0.00 0.00 174.74 173.28 3bdm s TYR 38 N -1.59 1.47 0.00 0.38 2.02 0.75 -4.99 117.35 115.39 3bdm s TYR 38 Ca -0.12 -1.62 0.00 0.00 -0.37 0.00 0.00 57.07 54.96 3bdm s TYR 38 Cb -0.04 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 3bdm s TYR 38 CO 0.03 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.55 3bdm n GLY 39 N 4.85 1.11 0.60 0.71 0.00 -1.26 -2.41 105.19 108.78 3bdm n GLY 39 Ca -0.02 -0.68 0.07 0.00 0.00 0.00 0.00 46.02 45.39 3bdm n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3bdm n HIS 40 N 12.54 0.36 -3.86 1.61 1.44 -1.26 -4.86 115.22 121.20 3bdm n HIS 40 Ca 0.00 -0.18 -0.35 0.00 -2.01 0.00 0.00 57.72 55.18 3bdm n HIS 40 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 3bdm n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3bdm s VAL 41 N -1.64 5.19 0.04 0.61 1.01 -1.01 -4.45 120.40 120.15 3bdm s VAL 41 Ca 0.26 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.38 3bdm s VAL 41 Cb 0.14 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3bdm s VAL 41 CO 0.20 0.47 0.00 -0.36 0.00 0.00 0.00 175.10 175.41 3bdm s PHE 42 N 0.17 3.04 -0.06 5.22 0.40 0.53 -0.18 117.98 127.09 3bdm s PHE 42 Ca 0.07 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 3bdm s PHE 42 Cb -0.12 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.83 3bdm s PHE 42 CO -0.01 0.47 0.01 -1.17 0.70 0.00 0.00 175.22 175.23 3bdm s LEU 43 N -1.92 0.53 -0.14 -0.37 2.96 0.70 -1.42 118.68 119.03 3bdm s LEU 43 Ca 0.23 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 3bdm s LEU 43 Cb -0.12 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 3bdm s LEU 43 CO 0.14 -0.20 0.12 -0.83 -1.32 0.00 0.00 176.35 174.26 3bdm s GLY 44 N 1.96 2.08 -0.22 7.98 0.00 0.12 -0.93 107.32 118.32 3bdm s GLY 44 Ca 0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 3bdm s GLY 44 CO -0.05 -0.24 0.03 -0.42 0.00 0.00 0.00 173.10 172.43 3bdm s ILE 45 N -0.56 0.70 0.19 0.90 1.01 0.14 -0.29 121.20 123.30 3bdm s ILE 45 Ca 0.12 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3bdm s ILE 45 Cb -0.12 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3bdm s ILE 45 CO 0.02 -0.26 0.27 0.42 0.00 0.00 0.00 174.94 175.39 3bdm s THR 46 N 1.76 5.04 -2.43 2.92 -4.23 -1.20 -4.83 115.64 112.69 3bdm s THR 46 Ca -0.00 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3bdm s THR 46 Cb -0.17 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3bdm s THR 46 CO -0.10 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 3bdm n GLY 47 N -0.87 0.61 3.63 3.99 0.00 -1.26 -0.13 105.19 111.16 3bdm n GLY 47 Ca -0.08 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 3bdm n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bdm s LEU 48 N 0.00 3.86 0.27 0.99 2.96 -0.44 -4.53 118.68 121.79 3bdm s LEU 48 Ca 0.00 1.87 -0.06 0.00 -0.22 0.00 0.00 54.13 55.72 3bdm s LEU 48 Cb 0.00 -3.53 0.50 0.00 0.50 0.00 0.00 46.19 43.67 3bdm s LEU 48 CO 0.00 -1.43 1.60 0.00 -1.32 0.00 0.00 176.35 175.20 3bdm h ALA 49 N 11.95 0.81 -0.88 5.97 0.00 -1.91 0.50 119.26 135.71 3bdm h ALA 49 Ca -0.39 0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3bdm h ALA 49 Cb 1.19 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 3bdm h ALA 49 CO 0.98 -0.45 0.57 0.00 0.00 0.00 0.00 179.25 180.35 3bdm h THR 50 N 0.04 0.93 -0.00 0.00 1.03 -1.99 0.20 112.91 113.11 3bdm h THR 50 Ca 0.47 -0.28 -0.20 0.00 -0.01 0.00 0.00 66.41 66.39 3bdm h THR 50 Cb 0.83 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.95 3bdm h THR 50 CO -0.83 0.15 -0.87 0.44 -0.01 0.00 0.00 175.52 174.39 3bdm h ASP 51 N 0.82 0.30 -0.61 0.00 3.45 -1.31 -1.02 116.42 118.04 3bdm h ASP 51 Ca 0.41 -0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 3bdm h ASP 51 Cb 0.49 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.14 3bdm h ASP 51 CO -0.18 1.03 0.33 0.58 -1.57 0.00 0.00 179.24 179.43 3bdm h VAL 52 N 0.13 1.20 0.39 -1.35 2.07 0.07 -0.07 116.25 118.69 3bdm h VAL 52 Ca -0.05 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3bdm h VAL 52 Cb 1.50 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3bdm h VAL 52 CO 0.14 0.22 -0.19 0.74 0.02 0.00 0.00 177.57 178.50 3bdm h THR 53 N 0.83 0.57 -0.54 2.57 2.02 -0.67 -2.67 112.91 115.02 3bdm h THR 53 Ca 0.21 -0.48 0.11 0.00 0.77 0.00 0.00 66.41 67.02 3bdm h THR 53 Cb 0.05 0.78 -0.11 0.00 -1.74 0.00 0.00 68.15 67.14 3bdm h THR 53 CO -0.03 0.08 -0.22 0.74 0.37 0.00 0.00 175.52 176.46 3bdm h THR 54 N -0.82 0.33 -0.38 3.16 2.02 -1.01 -0.64 112.91 115.57 3bdm h THR 54 Ca -0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3bdm h THR 54 Cb 0.54 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3bdm h THR 54 CO 0.09 0.00 0.10 -0.07 0.37 0.00 0.00 175.52 176.00 3bdm h LEU 55 N -0.09 0.51 0.19 2.58 3.38 -1.05 -0.51 115.31 120.32 3bdm h LEU 55 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3bdm h LEU 55 Cb 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3bdm h LEU 55 CO -0.60 0.51 -0.09 -1.13 0.09 0.00 0.00 178.44 177.22 3bdm h ASN 56 N 0.55 -0.22 -0.47 -0.43 -1.24 -0.79 -0.18 115.58 112.80 3bdm h ASN 56 Ca 0.13 -0.10 0.07 0.00 0.71 0.00 0.00 56.30 57.11 3bdm h ASN 56 Cb 0.20 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 3bdm h ASN 56 CO -0.00 -0.04 0.31 -0.33 -1.29 0.00 0.00 177.43 176.08 3bdm h GLU 57 N -0.39 0.34 0.22 6.67 5.08 -0.95 -1.13 114.58 124.42 3bdm h GLU 57 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3bdm h GLU 57 Cb 0.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3bdm h GLU 57 CO 0.04 0.23 -0.10 1.98 -1.00 0.00 0.00 179.01 180.16 3bdm h MET 58 N 0.35 -0.28 0.00 2.33 4.05 -0.69 -2.56 114.93 118.14 3bdm h MET 58 Ca 0.21 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.63 3bdm h MET 58 Cb 0.37 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 3bdm h MET 58 CO -0.05 0.09 -0.09 0.74 0.23 0.00 0.00 176.91 177.84 3bdm h PHE 59 N -0.75 0.00 0.55 1.39 0.05 -0.70 -0.47 116.94 117.01 3bdm h PHE 59 Ca -0.03 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.73 3bdm h PHE 59 Cb 0.50 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.46 3bdm h PHE 59 CO 0.05 0.09 -0.26 -0.09 -0.18 0.00 0.00 178.31 177.91 3bdm h ARG 60 N 0.00 -0.71 -0.94 1.51 2.43 -1.21 -0.24 114.38 115.23 3bdm h ARG 60 Ca -0.00 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3bdm h ARG 60 Cb 0.31 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 29.90 3bdm h ARG 60 CO 0.01 -0.47 -0.53 -0.92 -1.51 0.00 0.00 179.97 176.55 3bdm h TYR 61 N -0.95 -1.64 0.20 2.20 5.03 -1.01 0.35 116.97 121.14 3bdm h TYR 61 Ca -0.08 0.12 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 3bdm h TYR 61 Cb 0.56 0.84 0.00 0.00 1.55 0.00 0.00 36.73 39.69 3bdm h TYR 61 CO 0.04 -0.39 -0.09 0.87 -1.32 0.00 0.00 178.16 177.27 3bdm h LYS 62 N -0.04 -0.25 -0.28 1.82 1.57 -1.11 -2.25 116.57 116.03 3bdm h LYS 62 Ca 0.21 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3bdm h LYS 62 Cb 0.48 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3bdm h LYS 62 CO -0.92 -0.14 0.19 1.79 -0.57 0.00 0.00 179.45 179.80 3bdm h THR 63 N -0.30 1.02 0.71 -0.16 1.35 -0.50 0.98 112.91 116.00 3bdm h THR 63 Ca -0.03 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 3bdm h THR 63 Cb 0.23 0.71 0.01 0.00 -1.73 0.00 0.00 68.15 67.36 3bdm h THR 63 CO 0.04 0.05 -0.34 0.78 -0.25 0.00 0.00 175.52 175.81 3bdm h ASN 64 N 0.28 -0.80 -0.36 5.36 2.35 -0.63 -1.20 115.58 120.57 3bdm h ASN 64 Ca 0.11 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.98 3bdm h ASN 64 Cb 0.10 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3bdm h ASN 64 CO -0.02 -0.53 0.26 -0.07 -1.65 0.00 0.00 177.43 175.41 3bdm h LEU 65 N -1.03 0.07 -0.41 1.61 3.38 -1.15 -1.33 115.31 116.45 3bdm h LEU 65 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3bdm h LEU 65 Cb 0.73 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3bdm h LEU 65 CO 0.16 0.04 0.18 0.22 0.09 0.00 0.00 178.44 179.14 3bdm h TYR 66 N 0.08 0.60 -0.48 1.13 5.03 -0.47 -1.99 116.97 120.85 3bdm h TYR 66 Ca 0.17 -0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.35 3bdm h TYR 66 Cb 0.58 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 3bdm h TYR 66 CO -0.00 0.50 -0.09 -0.22 -1.32 0.00 0.00 178.16 177.04 3bdm h LYS 67 N 0.51 0.87 -0.33 1.82 3.64 -0.14 0.18 116.57 123.13 3bdm h LYS 67 Ca 0.14 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 3bdm h LYS 67 Cb 0.14 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3bdm h LYS 67 CO -0.02 0.92 0.01 -0.07 -2.27 0.00 0.00 179.45 178.03 3bdm h LEU 68 N 0.79 0.47 0.05 5.20 3.38 -1.12 0.23 115.31 124.30 3bdm h LEU 68 Ca 0.13 -0.08 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 3bdm h LEU 68 Cb 0.60 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3bdm h LEU 68 CO 0.04 0.53 -1.93 0.29 0.09 0.00 0.00 178.44 177.45 3bdm n LYS 69 N -4.29 0.66 0.20 1.13 5.02 -0.77 -4.30 118.16 115.80 3bdm n LYS 69 Ca 0.01 0.34 0.14 0.00 -2.02 0.00 0.00 58.31 56.78 3bdm n LYS 69 Cb 0.23 -1.66 0.40 0.00 -0.02 0.00 0.00 35.03 33.99 3bdm n LYS 69 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3bdm h GLU 70 N -0.43 0.00 -5.97 1.97 4.39 -0.72 -3.47 114.58 110.34 3bdm h GLU 70 Ca -0.47 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.83 3bdm h GLU 70 Cb 1.72 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 30.46 3bdm h GLU 70 CO -0.11 0.00 -0.79 0.39 -1.16 0.00 0.00 179.01 177.34 3bdm n GLU 71 N -2.82 -5.79 -3.60 2.33 1.02 0.07 -4.97 120.64 106.87 3bdm n GLU 71 Ca 0.03 0.70 -0.03 0.00 -0.02 0.00 0.00 57.16 57.85 3bdm n GLU 71 Cb 0.41 -5.49 -0.01 0.00 -0.02 0.00 0.00 31.44 26.33 3bdm n GLU 71 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3bdm s ARG 72 N -5.93 0.40 0.21 3.49 1.70 -1.23 -5.08 118.95 112.52 3bdm s ARG 72 Ca 0.15 -0.18 -0.19 0.00 -0.47 0.00 0.00 55.73 55.04 3bdm s ARG 72 Cb -0.07 0.16 -0.08 0.00 -0.57 0.00 0.00 34.95 34.39 3bdm s ARG 72 CO 0.78 -0.18 0.70 0.00 -1.08 0.00 0.00 175.30 175.52 3bdm s ALA 73 N -2.50 3.44 0.55 7.88 0.00 -1.26 -4.11 121.76 125.76 3bdm s ALA 73 Ca 0.11 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 3bdm s ALA 73 Cb 0.01 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 3bdm s ALA 73 CO -0.04 0.34 1.22 -1.50 0.00 0.00 0.00 175.76 175.78 3bdm s ILE 74 N -1.51 2.69 0.35 0.00 2.07 -1.26 -5.04 121.20 118.50 3bdm s ILE 74 Ca 0.42 0.46 0.04 0.00 -1.41 0.00 0.00 60.65 60.17 3bdm s ILE 74 Cb -0.16 -3.20 -0.01 0.00 0.13 0.00 0.00 42.46 39.21 3bdm s ILE 74 CO 0.21 -0.06 0.51 -1.61 -1.91 0.00 0.00 174.94 172.08 3bdm s GLU 75 N -3.12 3.17 0.13 3.50 0.41 -1.26 -4.74 118.70 116.79 3bdm s GLU 75 Ca 0.73 -0.81 -0.22 0.00 -0.41 0.00 0.00 54.97 54.27 3bdm s GLU 75 Cb -0.31 -2.76 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 3bdm s GLU 75 CO 0.35 0.04 1.68 -1.35 -0.49 0.00 0.00 175.26 175.49 3bdm h PRO 76 N 0.80 -0.14 -0.49 0.39 0.11 -1.93 0.23 132.00 130.97 3bdm h PRO 76 Ca -0.47 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3bdm h PRO 76 Cb 1.25 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 3bdm h PRO 76 CO 0.56 -0.09 0.22 0.93 -0.21 0.00 0.00 178.00 179.40 3bdm h GLU 77 N -0.14 0.41 -0.13 1.05 3.07 -1.96 -0.30 114.58 116.57 3bdm h GLU 77 Ca 0.09 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3bdm h GLU 77 Cb 0.28 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3bdm h GLU 77 CO -0.23 0.27 -0.01 1.15 -1.40 0.00 0.00 179.01 178.80 3bdm h THR 78 N 0.42 1.26 -0.82 1.13 2.02 -1.91 -2.89 112.91 112.13 3bdm h THR 78 Ca 0.22 -0.87 0.12 0.00 0.77 0.00 0.00 66.41 66.66 3bdm h THR 78 Cb 0.18 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 3bdm h THR 78 CO -0.19 0.25 0.53 0.15 0.37 0.00 0.00 175.52 176.64 3bdm h PHE 79 N -0.04 0.74 0.13 3.16 3.57 -0.57 -0.26 116.94 123.67 3bdm h PHE 79 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3bdm h PHE 79 Cb 0.39 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3bdm h PHE 79 CO 0.04 0.31 -0.14 1.15 -2.23 0.00 0.00 178.31 177.44 3bdm h THR 80 N 0.66 0.68 -0.90 4.41 2.02 -0.86 0.11 112.91 119.03 3bdm h THR 80 Ca 0.39 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.66 3bdm h THR 80 Cb 0.60 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 3bdm h THR 80 CO -0.16 0.00 0.58 1.56 0.37 0.00 0.00 175.52 177.87 3bdm h GLN 81 N -0.31 0.92 -0.48 6.66 1.08 -0.92 0.04 115.11 122.10 3bdm h GLN 81 Ca 0.01 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 3bdm h GLN 81 Cb 0.30 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 3bdm h GLN 81 CO -0.04 0.61 -0.01 1.25 -0.95 0.00 0.00 178.83 179.68 3bdm h LEU 82 N 0.94 0.84 -0.16 1.46 5.85 -0.38 -2.34 115.31 121.53 3bdm h LEU 82 Ca 0.40 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3bdm h LEU 82 Cb 0.32 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3bdm h LEU 82 CO -0.17 0.95 0.07 0.58 -0.34 0.00 0.00 178.44 179.53 3bdm h VAL 83 N 0.71 1.15 -0.09 1.05 2.07 0.38 -1.07 116.25 120.45 3bdm h VAL 83 Ca 0.13 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3bdm h VAL 83 Cb 0.52 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3bdm h VAL 83 CO 0.03 0.14 -0.15 -1.28 0.02 0.00 0.00 177.57 176.32 3bdm h SER 84 N 0.11 -0.47 0.63 0.57 0.87 -0.93 -0.43 113.55 113.89 3bdm h SER 84 Ca 0.05 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 3bdm h SER 84 Cb 0.16 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3bdm h SER 84 CO -0.01 -0.20 -0.41 0.77 -0.53 0.00 0.00 176.83 176.45 3bdm h SER 85 N -0.21 0.00 -0.55 6.23 4.64 -1.42 -0.98 113.55 121.26 3bdm h SER 85 Ca 0.08 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 3bdm h SER 85 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3bdm h SER 85 CO -0.22 0.41 -0.00 0.28 -0.87 0.00 0.00 176.83 176.43 3bdm h SER 86 N 0.00 0.98 -0.00 4.97 0.02 -0.35 -2.08 113.55 117.09 3bdm h SER 86 Ca -0.00 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3bdm h SER 86 Cb 0.83 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3bdm h SER 86 CO 0.05 1.04 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.70 3bdm h LEU 87 N 0.92 0.02 -1.45 5.07 3.38 -0.68 -3.19 115.31 119.38 3bdm h LEU 87 Ca 0.17 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3bdm h LEU 87 Cb 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3bdm h LEU 87 CO 0.03 0.69 0.00 0.22 0.09 0.00 0.00 178.44 179.47 3bdm h TYR 88 N -0.65 0.00 0.00 1.13 3.20 -1.20 0.57 116.97 120.02 3bdm h TYR 88 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3bdm h TYR 88 Cb 0.69 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 3bdm h TYR 88 CO 0.16 0.00 -0.14 1.49 -1.64 0.00 0.00 178.16 178.03 3bdm h GLU 89 N 0.00 0.00 -0.66 1.82 4.81 -1.35 -1.80 114.58 117.40 3bdm h GLU 89 Ca 0.00 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.82 3bdm h GLU 89 Cb 0.14 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.28 3bdm h GLU 89 CO 0.00 0.14 0.05 0.54 -0.73 0.00 0.00 179.01 179.01 3bdm n ARG 90 N -3.95 2.45 -0.36 1.92 5.12 0.19 -4.82 116.66 117.22 3bdm n ARG 90 Ca -0.02 -3.41 0.26 0.00 -1.93 0.00 0.00 57.85 52.75 3bdm n ARG 90 Cb 0.23 -2.06 0.53 0.00 -1.16 0.00 0.00 32.46 30.00 3bdm n ARG 90 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3bdm h ARG 91 N 1.47 0.31 -0.78 5.56 9.65 -1.37 -0.20 114.38 129.03 3bdm h ARG 91 Ca 0.39 -0.02 -0.44 0.00 -1.10 0.00 0.00 59.98 58.81 3bdm h ARG 91 Cb 1.61 -0.07 -0.25 0.00 -1.39 0.00 0.00 29.97 29.86 3bdm h ARG 91 CO 0.82 0.21 0.36 1.19 2.80 0.00 0.00 179.97 185.34 3bdm n PHE 92 N -4.74 2.45 0.00 2.20 3.01 -1.26 -4.45 117.46 114.67 3bdm n PHE 92 Ca 0.29 -2.01 0.00 0.00 1.01 0.00 0.00 57.45 56.74 3bdm n PHE 92 Cb 1.02 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3bdm n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bdm n GLY 93 N -1.07 -1.80 3.67 1.37 0.00 -0.74 -5.17 105.19 101.43 3bdm n GLY 93 Ca 0.51 0.73 -0.29 0.00 0.00 0.00 0.00 46.02 46.97 3bdm n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bdm s PRO 94 N 0.00 0.38 -0.06 1.61 0.04 -0.16 -4.87 135.00 131.94 3bdm s PRO 94 Ca 0.00 0.55 -0.24 0.00 0.04 0.00 0.00 61.00 61.35 3bdm s PRO 94 Cb 0.00 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 3bdm s PRO 94 CO 0.00 -2.77 0.71 0.71 0.04 0.00 0.00 177.00 175.69 3bdm s TYR 95 N -2.94 3.59 -1.37 0.56 1.51 -1.26 -4.96 117.35 112.48 3bdm s TYR 95 Ca 0.65 1.27 -0.14 0.00 -1.01 0.00 0.00 57.07 57.84 3bdm s TYR 95 Cb -0.19 -2.81 0.08 0.00 -0.11 0.00 0.00 41.96 38.92 3bdm s TYR 95 CO 0.58 0.09 2.00 1.19 -1.11 0.00 0.00 175.55 178.30 3bdm n PHE 96 N 3.75 3.82 -4.36 2.71 3.72 -1.26 -4.80 117.46 121.04 3bdm n PHE 96 Ca -0.01 -2.94 -0.19 0.00 -0.05 0.00 0.00 57.45 54.26 3bdm n PHE 96 Cb 0.51 -2.45 -0.10 0.00 -0.94 0.00 0.00 39.48 36.50 3bdm n PHE 96 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3bdm s VAL 97 N 2.87 0.64 -0.38 -4.37 -7.23 -1.26 -1.32 120.40 109.35 3bdm s VAL 97 Ca 0.47 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3bdm s VAL 97 Cb 0.10 -2.62 0.15 0.00 0.56 0.00 0.00 36.38 34.57 3bdm s VAL 97 CO -0.03 0.00 0.29 -0.83 -0.31 0.00 0.00 175.10 174.22 3bdm s GLY 98 N -3.38 0.86 0.45 2.32 0.00 0.82 -3.72 107.32 104.66 3bdm s GLY 98 Ca 0.36 -1.99 -0.23 0.00 0.00 0.00 0.00 44.72 42.86 3bdm s GLY 98 CO 0.15 2.20 1.15 -4.14 0.00 0.00 0.00 173.10 172.46 3bdm s PRO 99 N 0.70 3.83 -0.06 2.90 0.02 -1.26 -3.20 135.00 137.93 3bdm s PRO 99 Ca 0.24 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.02 3bdm s PRO 99 Cb -0.11 -2.44 0.02 0.00 0.02 0.00 0.00 34.50 31.99 3bdm s PRO 99 CO -0.08 -0.49 -0.06 0.08 -0.33 0.00 0.00 177.00 176.13 3bdm s VAL 100 N -1.55 0.72 -0.10 3.83 1.01 0.61 -1.78 120.40 123.13 3bdm s VAL 100 Ca 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3bdm s VAL 100 Cb -0.28 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3bdm s VAL 100 CO 0.34 0.27 -0.10 -0.69 0.00 0.00 0.00 175.10 174.92 3bdm s VAL 101 N 1.00 3.34 -0.01 2.92 1.01 0.16 0.16 120.40 128.97 3bdm s VAL 101 Ca -0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3bdm s VAL 101 Cb -0.14 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3bdm s VAL 101 CO -0.00 0.55 0.03 0.00 0.00 0.00 0.00 175.10 175.68 3bdm s ALA 102 N -0.14 -0.08 0.00 5.51 0.00 -0.51 -0.31 121.76 126.23 3bdm s ALA 102 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3bdm s ALA 102 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3bdm s ALA 102 CO 0.03 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3bdm n GLY 103 N 3.01 1.07 3.51 0.00 0.00 0.12 -0.35 105.19 112.55 3bdm n GLY 103 Ca -0.12 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 3bdm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 104 N -2.00 3.42 -0.37 -0.61 1.01 -1.26 0.32 121.20 121.71 3bdm s ILE 104 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 3bdm s ILE 104 Cb 0.00 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 3bdm s ILE 104 CO 0.00 0.57 1.51 0.21 0.00 0.00 0.00 174.94 177.23 3bdm s ASN 105 N -0.47 6.27 0.43 3.58 3.84 0.82 -4.83 114.94 124.58 3bdm s ASN 105 Ca 0.07 1.04 0.25 0.00 0.21 0.00 0.00 52.86 54.42 3bdm s ASN 105 Cb -0.12 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.31 3bdm s ASN 105 CO 0.02 -1.45 1.72 0.77 -2.79 0.00 0.00 177.10 175.37 3bdm h SER 10 N 11.08 0.33 0.20 -4.21 4.64 -1.95 1.30 113.55 124.93 3bdm h SER 10 Ca -0.29 0.09 -0.35 0.00 -0.47 0.00 0.00 61.79 60.77 3bdm h SER 10 Cb 1.12 0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3bdm h SER 10 CO 1.06 -0.02 -1.75 0.50 -0.87 0.00 0.00 176.83 175.75 3bdm h LYS 10 N 0.24 0.39 0.00 4.77 3.64 -1.98 -3.38 116.57 120.24 3bdm h LYS 10 Ca 0.67 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3bdm h LYS 10 Cb 1.98 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 34.05 3bdm h LYS 10 CO -0.31 1.31 -1.36 -1.13 -2.27 0.00 0.00 179.45 175.70 3bdm n SER 10 N -3.58 0.51 0.00 4.20 3.41 -0.76 -4.96 113.62 112.43 3bdm n SER 10 Ca -0.25 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 3bdm n SER 10 Cb 1.08 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 3bdm n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bdm n GLY 106 N 1.36 0.61 3.74 5.00 0.00 0.44 -4.96 105.19 111.37 3bdm n GLY 106 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3bdm n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bdm s LYS 107 N -0.39 4.71 0.38 1.61 2.20 -1.25 -4.66 119.74 122.35 3bdm s LYS 107 Ca 0.00 1.60 -0.24 0.00 -0.36 0.00 0.00 55.97 56.96 3bdm s LYS 107 Cb 0.00 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 3bdm s LYS 107 CO 0.00 0.26 1.03 -2.14 -0.36 0.00 0.00 175.35 174.14 3bdm s PRO 108 N -0.68 4.26 -0.15 4.03 0.02 -1.26 -0.12 135.00 141.09 3bdm s PRO 108 Ca 0.46 1.47 -0.07 0.00 0.02 0.00 0.00 61.00 62.87 3bdm s PRO 108 Cb -0.27 -2.58 0.06 0.00 0.02 0.00 0.00 34.50 31.72 3bdm s PRO 108 CO 0.34 -0.05 0.34 0.12 -0.33 0.00 0.00 177.00 177.41 3bdm s PHE 109 N -1.67 -0.51 0.04 6.54 5.36 0.15 -4.91 117.98 122.99 3bdm s PHE 109 Ca 0.56 1.10 0.02 0.00 -0.96 0.00 0.00 56.93 57.66 3bdm s PHE 109 Cb -0.21 0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.61 3bdm s PHE 109 CO 0.26 -0.32 -0.08 0.96 -1.46 0.00 0.00 175.22 174.59 3bdm s ILE 110 N 1.58 0.54 -0.11 3.12 -5.25 -1.25 -0.71 121.20 119.12 3bdm s ILE 110 Ca -0.08 -1.12 -0.29 0.00 -0.99 0.00 0.00 60.65 58.17 3bdm s ILE 110 Cb -0.10 -0.66 0.07 0.00 2.95 0.00 0.00 42.46 44.72 3bdm s ILE 110 CO -0.11 -0.41 0.69 0.00 -1.79 0.00 0.00 174.94 173.32 3bdm s ALA 111 N -1.50 -1.77 0.27 2.27 0.00 0.57 -3.78 121.76 117.83 3bdm s ALA 111 Ca -0.09 1.52 0.11 0.00 0.00 0.00 0.00 51.96 53.49 3bdm s ALA 111 Cb -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3bdm s ALA 111 CO 0.00 -0.36 -0.09 0.20 0.00 0.00 0.00 175.76 175.51 3bdm s GLY 112 N -0.75 1.77 0.04 0.00 0.00 0.13 0.38 107.32 108.88 3bdm s GLY 112 Ca -0.08 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 42.90 3bdm s GLY 112 CO 0.07 -1.83 -0.07 -1.36 0.00 0.00 0.00 173.10 169.91 3bdm s PHE 113 N -2.41 0.58 0.78 1.90 0.08 -0.73 -0.35 117.98 117.82 3bdm s PHE 113 Ca 0.31 -0.48 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 3bdm s PHE 113 Cb -0.06 -0.35 0.16 0.00 -0.57 0.00 0.00 43.02 42.20 3bdm s PHE 113 CO 0.18 -0.10 1.07 0.16 -0.10 0.00 0.00 175.22 176.43 3bdm s ASP 114 N -1.48 4.01 0.40 1.36 3.84 -0.85 -3.99 116.67 119.95 3bdm s ASP 114 Ca -0.10 -0.40 0.28 0.00 -0.00 0.00 0.00 52.55 52.32 3bdm s ASP 114 Cb -0.10 0.17 1.41 0.00 -1.38 0.00 0.00 42.92 43.02 3bdm s ASP 114 CO 0.00 -2.11 1.84 0.17 -0.00 0.00 0.00 175.17 175.07 3bdm h LEU 115 N -0.76 0.00 -3.29 2.11 -0.00 -1.87 -2.46 115.31 109.04 3bdm h LEU 115 Ca -0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.46 3bdm h LEU 115 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.88 3bdm h LEU 115 CO 0.36 0.00 -0.01 2.30 -0.00 0.00 0.00 178.44 181.10 3bdm n ILE 116 N -2.49 2.36 -0.19 0.15 -5.35 -1.26 -4.42 119.36 108.17 3bdm n ILE 116 Ca -0.01 -2.16 0.00 0.00 -0.27 0.00 0.00 62.75 60.32 3bdm n ILE 116 Cb 0.10 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 3bdm n ILE 116 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bdm n GLY 117 N -0.76 0.88 3.69 3.28 0.00 -0.93 -3.39 105.19 107.96 3bdm n GLY 117 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 3bdm n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ILE 119 N 1.16 5.21 -0.19 0.00 1.01 -1.26 -2.01 121.20 125.12 3bdm s ILE 119 Ca 0.78 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 62.03 3bdm s ILE 119 Cb -0.59 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.32 3bdm s ILE 119 CO 0.36 0.57 -0.02 -0.62 0.00 0.00 0.00 174.94 175.23 3bdm s ASP 120 N -0.91 3.04 -0.62 3.58 3.68 0.53 -4.99 116.67 120.97 3bdm s ASP 120 Ca 0.20 -0.81 -0.05 0.00 2.13 0.00 0.00 52.55 54.03 3bdm s ASP 120 Cb -0.15 -0.85 0.16 0.00 -1.45 0.00 0.00 42.92 40.64 3bdm s ASP 120 CO 0.10 -0.24 0.45 -0.70 0.13 0.00 0.00 175.17 174.91 3bdm s GLU 121 N 1.67 2.63 0.59 4.34 2.12 -1.26 0.19 118.70 128.98 3bdm s GLU 121 Ca -0.01 -2.39 -0.05 0.00 0.36 0.00 0.00 54.97 52.88 3bdm s GLU 121 Cb -0.17 -3.82 0.02 0.00 0.26 0.00 0.00 34.13 30.42 3bdm s GLU 121 CO -0.07 -1.18 0.88 0.00 -0.54 0.00 0.00 175.26 174.35 3bdm s ALA 122 N 0.20 3.39 -0.57 6.30 0.00 -1.25 -5.01 121.76 124.82 3bdm s ALA 122 Ca 0.15 -0.84 0.13 0.00 0.00 0.00 0.00 51.96 51.40 3bdm s ALA 122 Cb -0.20 -2.49 -0.15 0.00 0.00 0.00 0.00 23.12 20.28 3bdm s ALA 122 CO -0.04 -0.83 0.54 0.36 0.00 0.00 0.00 175.76 175.79 3bdm n LYS 12 N -2.56 2.39 -0.01 0.00 2.85 -1.26 -4.50 118.16 115.08 3bdm n LYS 12 Ca 0.05 -0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.27 3bdm n LYS 12 Cb 0.58 -1.15 -0.01 0.00 -0.65 0.00 0.00 35.03 33.81 3bdm n LYS 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3bdm n ASP 123 N -1.37 0.92 -3.59 -5.58 5.68 -1.26 -4.70 116.55 106.65 3bdm n ASP 123 Ca 0.02 0.14 -0.13 0.00 -0.50 0.00 0.00 54.79 54.33 3bdm n ASP 123 Cb 0.22 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 39.73 3bdm n ASP 123 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3bdm s PHE 124 N -1.88 -0.35 -0.02 2.11 -0.12 -1.26 -2.20 117.98 114.26 3bdm s PHE 124 Ca -0.09 0.27 0.04 0.00 -0.05 0.00 0.00 56.93 57.10 3bdm s PHE 124 Cb 0.01 0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 3bdm s PHE 124 CO 0.13 -0.67 -0.13 0.42 -0.05 0.00 0.00 175.22 174.92 3bdm s ILE 125 N -2.92 1.05 0.19 -4.49 1.09 -0.72 -4.79 121.20 110.60 3bdm s ILE 125 Ca -0.03 -0.55 0.08 0.00 -1.10 0.00 0.00 60.65 59.06 3bdm s ILE 125 Cb -0.00 -0.89 -0.04 0.00 -1.06 0.00 0.00 42.46 40.47 3bdm s ILE 125 CO -0.06 0.30 -0.17 0.68 -0.10 0.00 0.00 174.94 175.60 3bdm s VAL 126 N -0.19 1.83 -0.17 2.92 -7.23 -1.26 -1.49 120.40 114.81 3bdm s VAL 126 Ca 0.03 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.83 3bdm s VAL 126 Cb -0.06 -1.96 0.11 0.00 0.56 0.00 0.00 36.38 35.02 3bdm s VAL 126 CO -0.00 -0.45 0.92 -0.55 -0.31 0.00 0.00 175.10 174.72 3bdm s SER 127 N -3.02 -0.47 0.00 4.85 0.15 -0.31 -4.98 113.70 109.92 3bdm s SER 127 Ca 0.20 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3bdm s SER 127 Cb -0.03 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3bdm s SER 127 CO 0.07 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.78 3bdm n GLY 128 N 1.24 1.64 0.34 9.45 0.00 -1.26 -0.64 105.19 115.96 3bdm n GLY 128 Ca -0.13 -2.22 0.19 0.00 0.00 0.00 0.00 46.02 43.87 3bdm n GLY 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bdm h THR 129 N 0.00 0.12 -0.62 2.61 1.35 -1.73 -1.11 112.91 113.53 3bdm h THR 129 Ca 0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 66.41 65.43 3bdm h THR 129 Cb 0.00 0.85 -0.28 0.00 -1.73 0.00 0.00 68.15 66.99 3bdm h THR 129 CO 0.00 0.00 -0.29 0.00 -0.25 0.00 0.00 175.52 174.98 3bdm n ALA 130 N -2.08 4.96 0.11 6.62 0.00 -1.26 -4.75 120.51 124.12 3bdm n ALA 130 Ca -0.02 -3.52 -0.00 0.00 0.00 0.00 0.00 53.44 49.90 3bdm n ALA 130 Cb 0.23 -0.70 0.28 0.00 0.00 0.00 0.00 19.45 19.26 3bdm n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bdm h SER 131 N 1.73 0.20 -0.29 0.00 4.64 -1.46 -1.80 113.55 116.57 3bdm h SER 131 Ca 0.34 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3bdm h SER 131 Cb 1.40 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3bdm h SER 131 CO 0.75 0.54 0.09 0.44 -0.87 0.00 0.00 176.83 177.78 3bdm h ASP 132 N 0.18 0.42 -0.05 4.97 3.45 -1.85 -0.85 116.42 122.69 3bdm h ASP 132 Ca 0.02 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.28 3bdm h ASP 132 Cb 0.70 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3bdm h ASP 132 CO 0.05 0.51 0.02 1.56 -1.57 0.00 0.00 179.24 179.81 3bdm h GLN 133 N 0.31 0.05 -0.64 3.56 7.50 -1.88 -1.96 115.11 122.05 3bdm h GLN 133 Ca 0.09 -0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.35 3bdm h GLN 133 Cb 0.24 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.72 3bdm h GLN 133 CO -0.00 0.03 0.43 -0.07 -1.50 0.00 0.00 178.83 177.72 3bdm h LEU 134 N 0.05 0.40 -0.35 1.46 3.38 -1.11 0.11 115.31 119.24 3bdm h LEU 134 Ca 0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3bdm h LEU 134 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3bdm h LEU 134 CO -0.02 0.24 -0.08 -0.26 0.09 0.00 0.00 178.44 178.40 3bdm h PHE 135 N 0.44 0.77 -0.49 1.13 0.04 -0.53 0.28 116.94 118.58 3bdm h PHE 135 Ca 0.30 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 3bdm h PHE 135 Cb 0.58 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 3bdm h PHE 135 CO -0.00 0.84 0.04 0.78 -0.60 0.00 0.00 178.31 179.36 3bdm h GLY 136 N 0.47 0.90 0.95 -1.45 0.00 -0.47 -1.07 103.07 102.40 3bdm h GLY 136 Ca 0.09 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3bdm h GLY 136 CO 0.03 0.59 -0.00 -0.33 0.00 0.00 0.00 176.54 176.83 3bdm h MET 137 N 0.70 -0.00 0.42 4.80 2.86 -0.71 -3.09 114.93 119.91 3bdm h MET 137 Ca 0.14 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3bdm h MET 137 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3bdm h MET 137 CO 0.02 0.05 -0.20 0.00 1.06 0.00 0.00 176.91 177.84 3bdm h GLU 139 N -0.91 0.00 0.00 0.00 4.57 -1.27 -1.61 114.58 115.37 3bdm h GLU 139 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3bdm h GLU 139 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3bdm h GLU 139 CO 0.09 0.00 -0.09 0.43 -1.18 0.00 0.00 179.01 178.26 3bdm n SER 140 N -3.49 0.23 -0.14 1.04 7.64 -1.17 -4.71 113.62 113.03 3bdm n SER 140 Ca 0.16 0.18 -0.07 0.00 1.01 0.00 0.00 58.87 60.14 3bdm n SER 140 Cb 1.09 -0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 3bdm n SER 140 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3bdm h LEU 141 N -0.13 -1.14 -9.42 -3.43 3.38 -1.02 -3.45 115.31 100.11 3bdm h LEU 141 Ca 0.00 0.20 -0.60 0.00 0.09 0.00 0.00 57.88 57.58 3bdm h LEU 141 Cb 0.09 0.54 0.15 0.00 0.09 0.00 0.00 40.66 41.53 3bdm h LEU 141 CO 0.00 -0.32 -0.32 0.00 0.09 0.00 0.00 178.44 177.89 3bdm n TYR 142 N -5.42 -0.30 -3.58 1.13 9.36 -0.62 -5.06 117.16 112.67 3bdm n TYR 142 Ca 0.02 0.56 -0.17 0.00 3.32 0.00 0.00 57.90 61.62 3bdm n TYR 142 Cb 0.34 -2.02 -0.07 0.00 -0.63 0.00 0.00 39.34 36.97 3bdm n TYR 142 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3bdm s GLU 143 N -1.77 0.96 0.73 2.98 -1.05 -1.26 -4.99 118.70 114.30 3bdm s GLU 143 Ca 0.65 0.27 -0.15 0.00 -0.15 0.00 0.00 54.97 55.59 3bdm s GLU 143 Cb -0.56 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 33.62 3bdm s GLU 143 CO 0.57 -0.27 1.19 -2.14 0.95 0.00 0.00 175.26 175.55 3bdm s PRO 144 N -1.02 2.15 -1.47 -4.83 0.02 -1.26 -4.13 135.00 124.46 3bdm s PRO 144 Ca -0.10 1.69 -0.13 0.00 0.02 0.00 0.00 61.00 62.49 3bdm s PRO 144 Cb -0.01 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.76 3bdm s PRO 144 CO 0.08 -1.82 0.70 0.09 -0.33 0.00 0.00 177.00 175.72 3bdm n ASN 145 N -2.79 -3.97 -4.74 2.53 4.13 -1.26 -4.95 115.26 104.20 3bdm n ASN 145 Ca 0.13 -0.65 -0.32 0.00 1.68 0.00 0.00 54.58 55.43 3bdm n ASN 145 Cb 0.51 -3.24 0.10 0.00 -1.54 0.00 0.00 39.78 35.61 3bdm n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3bdm s LEU 146 N -6.90 3.07 0.44 3.41 1.43 -1.26 -4.14 118.68 114.74 3bdm s LEU 146 Ca 0.56 1.99 -0.07 0.00 -1.03 0.00 0.00 54.13 55.58 3bdm s LEU 146 Cb -0.29 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.34 3bdm s LEU 146 CO 0.69 -2.24 0.76 -1.61 0.23 0.00 0.00 176.35 174.17 3bdm s GLU 147 N -4.62 3.61 0.37 1.70 0.41 -1.26 0.79 118.70 119.71 3bdm s GLU 147 Ca 0.65 0.25 0.17 0.00 -0.41 0.00 0.00 54.97 55.63 3bdm s GLU 147 Cb -0.20 -2.41 1.09 0.00 -1.78 0.00 0.00 34.13 30.83 3bdm s GLU 147 CO 0.53 -0.12 1.72 -1.35 -0.49 0.00 0.00 175.26 175.55 3bdm h PRO 148 N 0.64 0.37 0.00 0.39 0.11 -1.95 0.32 132.00 131.89 3bdm h PRO 148 Ca -0.47 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3bdm h PRO 148 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3bdm h PRO 148 CO 0.63 0.25 -0.57 0.93 -0.21 0.00 0.00 178.00 179.02 3bdm h GLU 149 N 0.39 0.00 0.06 1.05 3.07 -2.00 -2.75 114.58 114.40 3bdm h GLU 149 Ca 0.66 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.31 3bdm h GLU 149 Cb 1.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.51 3bdm h GLU 149 CO -0.41 0.57 -1.11 -0.44 -1.40 0.00 0.00 179.01 176.21 3bdm h ASP 150 N 0.00 0.20 -0.83 1.42 3.45 -1.12 -3.31 116.42 116.23 3bdm h ASP 150 Ca -0.01 -0.78 0.19 0.00 0.43 0.00 0.00 57.03 56.86 3bdm h ASP 150 Cb 1.11 -0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 39.76 3bdm h ASP 150 CO 0.07 1.47 0.56 0.25 -1.57 0.00 0.00 179.24 180.02 3bdm h LEU 151 N -0.63 0.34 -0.30 1.55 5.85 -0.59 0.74 115.31 122.28 3bdm h LEU 151 Ca -0.26 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3bdm h LEU 151 Cb 1.49 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 3bdm h LEU 151 CO -0.03 0.15 0.13 0.15 -0.34 0.00 0.00 178.44 178.51 3bdm h PHE 152 N 0.35 0.44 0.27 1.25 3.57 -1.60 0.32 116.94 121.55 3bdm h PHE 152 Ca 0.42 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 3bdm h PHE 152 Cb 1.09 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.70 3bdm h PHE 152 CO -0.00 0.41 -0.13 0.93 -2.23 0.00 0.00 178.31 177.29 3bdm h GLU 153 N 0.35 -0.34 0.05 1.11 4.39 -0.99 -1.64 114.58 117.50 3bdm h GLU 153 Ca 0.10 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3bdm h GLU 153 Cb 0.15 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3bdm h GLU 153 CO -0.01 -0.23 -0.13 1.15 -1.16 0.00 0.00 179.01 178.63 3bdm h THR 154 N -0.36 0.69 0.00 1.13 2.02 -1.08 0.01 112.91 115.32 3bdm h THR 154 Ca -0.04 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3bdm h THR 154 Cb 0.28 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3bdm h THR 154 CO 0.06 0.00 -0.27 -0.29 0.37 0.00 0.00 175.52 175.39 3bdm h ILE 155 N -0.25 0.95 -0.04 3.11 2.10 -0.95 -1.48 117.51 120.95 3bdm h ILE 155 Ca 0.03 -1.01 -0.21 0.00 1.08 0.00 0.00 64.86 64.75 3bdm h ILE 155 Cb 0.27 1.59 -0.00 0.00 -1.09 0.00 0.00 36.82 37.59 3bdm h ILE 155 CO -0.09 0.26 -0.84 0.28 -1.08 0.00 0.00 178.15 176.69 3bdm h SER 156 N 0.00 0.52 -0.08 2.19 0.02 -0.90 -2.03 113.55 113.27 3bdm h SER 156 Ca -0.00 -0.38 -0.20 0.00 -0.84 0.00 0.00 61.79 60.37 3bdm h SER 156 Cb 0.57 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3bdm h SER 156 CO 0.04 1.15 -0.69 1.56 -1.14 0.00 0.00 176.83 177.75 3bdm h GLN 157 N 0.26 0.71 0.24 3.45 1.08 -0.66 -1.35 115.11 118.85 3bdm h GLN 157 Ca -0.05 -0.53 -0.01 0.00 -1.45 0.00 0.00 58.65 56.60 3bdm h GLN 157 Cb 1.44 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.97 3bdm h GLN 157 CO 0.14 1.15 -0.12 0.00 -0.95 0.00 0.00 178.83 179.06 3bdm h ALA 158 N 0.71 -0.33 0.17 3.87 0.00 -1.30 -2.47 119.26 119.92 3bdm h ALA 158 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3bdm h ALA 158 Cb 1.29 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3bdm h ALA 158 CO 0.14 -0.58 -0.31 1.25 0.00 0.00 0.00 179.25 179.75 3bdm h LEU 159 N -0.53 -0.88 0.22 0.00 5.85 -1.38 -2.12 115.31 116.47 3bdm h LEU 159 Ca -0.03 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3bdm h LEU 159 Cb 0.39 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3bdm h LEU 159 CO 0.06 -0.41 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.28 3bdm h LEU 160 N -0.56 -1.12 -1.56 2.25 4.07 -1.28 -0.29 115.31 116.81 3bdm h LEU 160 Ca 0.02 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 3bdm h LEU 160 Cb 0.57 0.41 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 3bdm h LEU 160 CO -0.15 -0.49 -0.19 0.78 -1.08 0.00 0.00 178.44 177.31 3bdm h ASN 161 N -0.69 0.00 -0.00 -0.43 2.35 -1.47 -1.92 115.58 113.42 3bdm h ASN 161 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3bdm h ASN 161 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3bdm h ASN 161 CO -0.17 0.19 -0.02 0.00 -1.65 0.00 0.00 177.43 175.78 3bdm h ALA 162 N 1.81 0.01 -0.33 -0.83 0.00 -1.12 -3.26 119.26 115.53 3bdm h ALA 162 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3bdm h ALA 162 Cb 0.52 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3bdm h ALA 162 CO 0.02 -0.13 0.23 0.00 0.00 0.00 0.00 179.25 179.37 3bdm h ALA 163 N 0.32 2.00 0.00 0.00 0.00 -0.74 -2.12 119.26 118.72 3bdm h ALA 163 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bdm h ALA 163 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3bdm h ALA 163 CO 0.00 -0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 3bdm n ASP 164 N -4.48 0.00 -0.79 0.00 10.43 -0.75 -2.07 116.55 118.90 3bdm n ASP 164 Ca 0.04 0.41 0.07 0.00 2.57 0.00 0.00 54.79 57.88 3bdm n ASP 164 Cb 0.22 -0.46 0.19 0.00 1.84 0.00 0.00 41.12 42.91 3bdm n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3bdm n ARG 165 N -1.46 2.78 -3.96 -1.24 5.12 -0.80 -4.89 116.66 112.20 3bdm n ARG 165 Ca 0.05 -2.16 -0.30 0.00 -1.93 0.00 0.00 57.85 53.52 3bdm n ARG 165 Cb 0.21 -1.33 -0.16 0.00 -1.16 0.00 0.00 32.46 30.01 3bdm n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3bdm s ASP 166 N -1.01 3.06 0.62 0.55 3.68 -0.88 -5.00 116.67 117.70 3bdm s ASP 166 Ca 0.28 -0.73 0.38 0.00 2.13 0.00 0.00 52.55 54.62 3bdm s ASP 166 Cb 0.15 -1.11 2.10 0.00 -1.45 0.00 0.00 42.92 42.60 3bdm s ASP 166 CO 0.20 -0.14 2.29 0.00 0.13 0.00 0.00 175.17 177.64 3bdm h ALA 167 N 8.04 1.17 -0.56 3.66 0.00 -1.90 -2.46 119.26 127.21 3bdm h ALA 167 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3bdm h ALA 167 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3bdm h ALA 167 CO 0.46 0.02 0.00 1.28 0.00 0.00 0.00 179.25 181.00 3bdm n LEU 168 N -3.35 3.72 -4.28 0.00 4.77 -1.26 -4.95 117.00 111.64 3bdm n LEU 168 Ca -0.03 -1.73 -0.18 0.00 -0.03 0.00 0.00 56.01 54.04 3bdm n LEU 168 Cb 0.11 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 3bdm n LEU 168 CO 0.24 0.87 -0.45 -0.44 -1.33 0.00 0.00 177.39 176.27 3bdm s SER 169 N -1.26 2.22 0.00 -1.43 0.01 -0.93 -2.07 113.70 110.25 3bdm s SER 169 Ca 0.44 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3bdm s SER 169 Cb 0.24 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.38 3bdm s SER 169 CO 0.33 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.43 3bdm n GLY 170 N 0.16 0.23 2.28 3.44 0.00 -1.26 -4.76 105.19 105.28 3bdm n GLY 170 Ca -0.12 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.72 3bdm n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bdm n TRP 171 N 0.00 -0.56 0.00 1.61 7.02 -1.26 -2.28 117.44 121.97 3bdm n TRP 171 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3bdm n TRP 171 Cb 0.00 -2.89 0.00 0.00 -2.42 0.00 0.00 31.31 26.00 3bdm n TRP 171 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3bdm n GLY 172 N -1.05 3.07 3.42 6.99 0.00 -1.26 -4.52 105.19 111.84 3bdm n GLY 172 Ca -0.16 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 3bdm n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 173 N -2.98 -1.56 0.02 4.61 0.00 -1.26 -0.67 121.76 119.92 3bdm s ALA 173 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3bdm s ALA 173 Cb 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 3bdm s ALA 173 CO 0.00 -0.70 -0.07 0.54 0.00 0.00 0.00 175.76 175.53 3bdm s VAL 174 N -3.40 0.53 -0.05 0.00 0.11 -0.50 -1.18 120.40 115.91 3bdm s VAL 174 Ca -0.01 -0.63 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 3bdm s VAL 174 Cb -0.01 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 3bdm s VAL 174 CO -0.10 -0.09 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.79 3bdm s VAL 175 N -0.68 0.99 -0.17 2.04 1.01 0.44 -1.98 120.40 122.04 3bdm s VAL 175 Ca -0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3bdm s VAL 175 Cb -0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3bdm s VAL 175 CO 0.00 0.32 -0.01 -0.31 0.00 0.00 0.00 175.10 175.10 3bdm s TYR 176 N 0.57 3.07 -0.23 5.22 2.02 -0.41 -1.47 117.35 126.12 3bdm s TYR 176 Ca -0.11 -0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 3bdm s TYR 176 Cb -0.14 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.41 3bdm s TYR 176 CO 0.02 -0.07 -0.06 0.42 -1.57 0.00 0.00 175.55 174.30 3bdm s ILE 177 N 0.58 3.07 -0.15 2.71 -1.09 -0.45 -2.14 121.20 123.72 3bdm s ILE 177 Ca -0.01 -0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 57.61 3bdm s ILE 177 Cb -0.14 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 3bdm s ILE 177 CO 0.02 0.31 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.34 3bdm s ILE 178 N 1.40 3.47 0.21 2.92 1.09 -0.04 -1.43 121.20 128.82 3bdm s ILE 178 Ca 0.03 -0.50 0.08 0.00 -1.10 0.00 0.00 60.65 59.16 3bdm s ILE 178 Cb -0.15 -2.51 -0.05 0.00 -1.06 0.00 0.00 42.46 38.69 3bdm s ILE 178 CO -0.04 0.50 -0.15 -0.54 -0.10 0.00 0.00 174.94 174.61 3bdm s LYS 179 N 0.51 1.35 0.63 2.79 1.02 -0.38 -1.65 119.74 124.01 3bdm s LYS 179 Ca -0.06 -1.60 0.24 0.00 0.02 0.00 0.00 55.97 54.58 3bdm s LYS 179 Cb -0.15 -1.15 1.33 0.00 -0.52 0.00 0.00 37.83 37.34 3bdm s LYS 179 CO 0.03 0.19 1.74 0.87 -0.92 0.00 0.00 175.35 177.26 3bdm h LYS 181 N 2.54 0.00 0.00 1.68 1.79 -1.95 -3.16 116.57 117.47 3bdm h LYS 181 Ca -0.38 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.96 3bdm h LYS 181 Cb 1.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 3bdm h LYS 181 CO 0.62 0.00 -1.44 -0.40 -1.08 0.00 0.00 179.45 177.15 3bdm n ASP 182 N -2.75 1.99 -4.36 0.86 5.75 -1.26 -5.10 116.55 111.68 3bdm n ASP 182 Ca -0.02 0.03 -0.19 0.00 -0.01 0.00 0.00 54.79 54.60 3bdm n ASP 182 Cb 0.46 -0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 40.27 3bdm n ASP 182 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3bdm s GLU 183 N -2.15 1.37 -0.08 0.11 -1.05 -1.19 -5.14 118.70 110.57 3bdm s GLU 183 Ca -0.11 -1.64 -0.00 0.00 -0.15 0.00 0.00 54.97 53.07 3bdm s GLU 183 Cb 0.03 -1.07 0.02 0.00 -0.44 0.00 0.00 34.13 32.68 3bdm s GLU 183 CO 0.16 0.12 -0.04 0.08 0.95 0.00 0.00 175.26 176.53 3bdm s VAL 184 N -3.03 0.65 -0.17 1.83 1.01 -1.26 -1.25 120.40 118.17 3bdm s VAL 184 Ca 0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3bdm s VAL 184 Cb 0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3bdm s VAL 184 CO 0.08 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 174.75 3bdm s VAL 185 N 1.54 3.82 -0.27 2.92 1.01 -0.51 -4.95 120.40 123.96 3bdm s VAL 185 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3bdm s VAL 185 Cb -0.13 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3bdm s VAL 185 CO -0.04 0.47 0.02 -0.75 0.00 0.00 0.00 175.10 174.80 3bdm s LYS 186 N 0.67 3.11 0.07 2.72 2.20 -1.26 -1.34 119.74 125.90 3bdm s LYS 186 Ca -0.02 -0.82 0.09 0.00 -0.36 0.00 0.00 55.97 54.86 3bdm s LYS 186 Cb -0.14 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 3bdm s LYS 186 CO 0.02 -0.37 -0.24 1.03 -0.36 0.00 0.00 175.35 175.43 3bdm s ARG 187 N 1.46 1.78 -0.13 4.03 0.52 -0.54 -4.97 118.95 121.10 3bdm s ARG 187 Ca 0.03 -1.13 -0.06 0.00 -0.52 0.00 0.00 55.73 54.04 3bdm s ARG 187 Cb -0.16 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 3bdm s ARG 187 CO -0.00 0.50 0.08 0.71 0.02 0.00 0.00 175.30 176.61 3bdm s TYR 188 N -0.90 3.38 0.32 -0.53 1.51 -1.26 -0.42 117.35 119.45 3bdm s TYR 188 Ca 0.13 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.51 3bdm s TYR 188 Cb -0.10 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3bdm s TYR 188 CO 0.04 0.49 0.52 -0.51 -1.11 0.00 0.00 175.55 174.98 3bdm s LEU 189 N -0.53 4.06 -0.26 -1.29 1.43 -0.33 -4.99 118.68 116.77 3bdm s LEU 189 Ca 0.11 0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 53.57 3bdm s LEU 189 Cb -0.12 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3bdm s LEU 189 CO 0.02 -0.25 0.14 -0.75 0.23 0.00 0.00 176.35 175.74 3bdm s LYS 190 N -4.12 3.85 0.23 1.70 2.20 -1.26 -4.35 119.74 117.99 3bdm s LYS 190 Ca 0.40 -0.37 -0.12 0.00 -0.36 0.00 0.00 55.97 55.52 3bdm s LYS 190 Cb -0.10 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 3bdm s LYS 190 CO 0.34 -0.13 0.43 0.00 -0.36 0.00 0.00 175.35 175.63 3bdm s MET 191 N 1.56 1.46 0.86 4.03 0.23 -1.26 -5.09 119.30 121.09 3bdm s MET 191 Ca 0.07 -1.25 -0.15 0.00 -1.03 0.00 0.00 55.69 53.33 3bdm s MET 191 Cb -0.15 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 3bdm s MET 191 CO 0.07 -0.59 0.28 0.54 -2.03 0.00 0.00 175.02 173.29 3bdm n ARG 192 N -0.35 -0.04 -1.21 3.16 1.74 -1.26 -4.83 116.66 113.88 3bdm n ARG 192 Ca -0.03 0.03 0.01 0.00 -0.77 0.00 0.00 57.85 57.10 3bdm n ARG 192 Cb 0.62 -1.72 0.12 0.00 -1.02 0.00 0.00 32.46 30.46 3bdm n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3bdm n GLN 193 N -0.75 1.36 0.00 5.56 1.13 -1.26 -4.21 117.38 119.21 3bdm n GLN 193 Ca 0.07 -3.03 0.05 0.00 -1.94 0.00 0.00 57.00 52.15 3bdm n GLN 193 Cb 0.52 -1.21 0.04 0.00 0.11 0.00 0.00 30.24 29.71 3bdm n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22