#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbj s SER 2 N 0.00 0.25 -0.09 1.61 0.01 -1.26 -5.18 113.70 109.05 2dbj s SER 2 Ca 0.00 -1.32 -0.28 0.00 1.31 0.00 0.00 55.95 55.66 2dbj s SER 2 Cb 0.00 0.45 0.06 0.00 0.21 0.00 0.00 66.02 66.75 2dbj s SER 2 CO 0.00 -0.95 0.64 -0.94 0.41 0.00 0.00 173.24 172.40 2dbj s SER 3 N -3.15 -0.62 0.00 2.44 1.04 -1.26 -5.18 113.70 106.98 2dbj s SER 3 Ca 0.35 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2dbj s SER 3 Cb 0.05 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2dbj s SER 3 CO 0.13 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2dbj n GLY 4 N 1.32 3.69 3.05 7.32 0.00 -1.26 -5.16 105.19 114.15 2dbj n GLY 4 Ca -0.18 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 2dbj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbj s SER 5 N 0.13 0.01 0.04 1.61 0.01 -1.26 -5.16 113.70 109.08 2dbj s SER 5 Ca 0.00 -0.11 -0.27 0.00 1.31 0.00 0.00 55.95 56.87 2dbj s SER 5 Cb 0.00 0.20 0.10 0.00 0.21 0.00 0.00 66.02 66.53 2dbj s SER 5 CO 0.00 -0.25 1.20 -0.55 0.41 0.00 0.00 173.24 174.05 2dbj s SER 6 N -0.92 -0.03 0.00 2.44 0.15 -1.26 -5.18 113.70 108.90 2dbj s SER 6 Ca -0.10 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dbj s SER 6 Cb -0.06 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2dbj s SER 6 CO 0.01 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2dbj n GLY 7 N -0.68 -1.26 3.51 9.45 0.00 -1.26 -5.12 105.19 109.84 2dbj n GLY 7 Ca -0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 2dbj n GLY 7 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2dbj s TRP 8 N 0.00 -0.39 0.29 1.61 -2.14 -1.26 -5.15 118.94 111.90 2dbj s TRP 8 Ca 0.00 0.37 -0.29 0.00 2.66 0.00 0.00 56.10 58.84 2dbj s TRP 8 Cb 0.00 0.51 -0.10 0.00 -3.10 0.00 0.00 33.47 30.79 2dbj s TRP 8 CO 0.00 -0.54 1.31 0.42 -2.66 0.00 0.00 176.95 175.48 2dbj s ILE 9 N -2.66 2.86 -0.70 0.66 -1.09 -1.26 -4.93 121.20 114.09 2dbj s ILE 9 Ca 0.02 0.81 -0.27 0.00 -2.23 0.00 0.00 60.65 58.98 2dbj s ILE 9 Cb -0.01 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 2dbj s ILE 9 CO -0.06 0.17 1.54 -0.22 -1.23 0.00 0.00 174.94 175.14 2dbj s LEU 10 N -1.20 3.22 -0.75 2.97 2.96 -1.26 -4.92 118.68 119.71 2dbj s LEU 10 Ca 0.52 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2dbj s LEU 10 Cb -0.39 -2.55 0.18 0.00 0.50 0.00 0.00 46.19 43.94 2dbj s LEU 10 CO 0.47 -2.07 0.56 0.00 -1.32 0.00 0.00 176.35 174.00 2dbj s ALA 11 N 7.19 3.91 0.50 5.97 0.00 -1.26 -5.09 121.76 132.99 2dbj s ALA 11 Ca 0.49 -3.79 -0.21 0.00 0.00 0.00 0.00 51.96 48.46 2dbj s ALA 11 Cb -0.10 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.54 2dbj s ALA 11 CO 0.16 -2.11 0.63 -1.13 0.00 0.00 0.00 175.76 173.32 2dbj n SER 12 N 2.20 -0.53 -3.39 0.00 3.41 -1.26 -4.58 113.62 109.47 2dbj n SER 12 Ca 0.19 0.85 -0.44 0.00 -0.26 0.00 0.00 58.87 59.20 2dbj n SER 12 Cb 0.35 -1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 63.01 2dbj n SER 12 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dbj n THR 13 N -1.22 0.00 0.20 6.66 -2.24 -1.26 -4.70 114.28 111.72 2dbj n THR 13 Ca 0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 2dbj n THR 13 Cb 0.43 -0.39 0.68 0.00 -2.10 0.00 0.00 70.33 68.95 2dbj n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dbj h THR 14 N 5.69 0.00 -2.84 4.28 1.03 -2.04 -3.40 112.91 115.62 2dbj h THR 14 Ca -0.07 0.00 -0.64 0.00 -0.01 0.00 0.00 66.41 65.69 2dbj h THR 14 Cb 1.10 0.55 -0.07 0.00 -1.07 0.00 0.00 68.15 68.66 2dbj h THR 14 CO 0.91 0.00 -0.40 -1.83 -0.01 0.00 0.00 175.52 174.19 2dbj s GLU 15 N -3.64 3.69 0.00 0.00 -1.05 -1.26 -4.92 118.70 111.52 2dbj s GLU 15 Ca -0.03 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.81 2dbj s GLU 15 Cb 0.07 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 2dbj s GLU 15 CO 0.23 0.67 0.00 0.41 0.95 0.00 0.00 175.26 177.52 2dbj n GLY 16 N 2.19 0.15 3.60 -3.83 0.00 -1.26 -5.19 105.19 100.85 2dbj n GLY 16 Ca -0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 2dbj n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dbj s ALA 17 N 0.00 -2.06 -0.90 4.61 0.00 -1.26 -4.32 121.76 117.84 2dbj s ALA 17 Ca 0.00 1.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.37 2dbj s ALA 17 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2dbj s ALA 17 CO 0.00 -0.47 1.94 -1.25 0.00 0.00 0.00 175.76 175.98 2dbj s PRO 18 N -1.90 2.56 0.00 0.00 0.04 -1.26 -4.83 135.00 129.61 2dbj s PRO 18 Ca 0.08 -0.27 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 2dbj s PRO 18 Cb -0.01 -5.05 -0.09 0.00 0.04 0.00 0.00 34.50 29.39 2dbj s PRO 18 CO -0.05 -3.36 2.45 0.43 0.04 0.00 0.00 177.00 176.52 2dbj n SER 19 N 13.93 5.06 -3.75 6.66 7.64 -1.26 -3.99 113.62 137.92 2dbj n SER 19 Ca 0.40 -2.38 -0.13 0.00 1.01 0.00 0.00 58.87 57.77 2dbj n SER 19 Cb 0.47 -1.17 -0.09 0.00 -1.01 0.00 0.00 64.21 62.40 2dbj n SER 19 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dbj s VAL 20 N 0.44 0.03 0.36 0.44 -7.23 -1.26 -4.97 120.40 108.22 2dbj s VAL 20 Ca 0.22 -0.28 0.08 0.00 -1.81 0.00 0.00 61.98 60.19 2dbj s VAL 20 Cb 0.11 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 2dbj s VAL 20 CO 0.00 -0.15 0.29 0.00 -0.31 0.00 0.00 175.10 174.92 2dbj s ALA 21 N -0.73 3.83 0.75 1.32 0.00 -1.26 -4.00 121.76 121.68 2dbj s ALA 21 Ca -0.08 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 49.99 2dbj s ALA 21 Cb -0.04 -1.00 0.05 0.00 0.00 0.00 0.00 23.12 22.12 2dbj s ALA 21 CO 0.03 -0.07 1.09 -1.25 0.00 0.00 0.00 175.76 175.57 2dbj s PRO 22 N -4.00 2.34 0.23 0.00 0.04 -1.26 -4.73 135.00 127.61 2dbj s PRO 22 Ca 0.43 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2dbj s PRO 22 Cb -0.04 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2dbj s PRO 22 CO 0.26 -1.58 0.20 1.28 0.04 0.00 0.00 177.00 177.19 2dbj n LEU 23 N -3.34 0.00 -2.46 -3.56 7.99 -1.19 -4.61 117.00 109.83 2dbj n LEU 23 Ca 0.09 -1.18 -0.04 0.00 -0.01 0.00 0.00 56.01 54.87 2dbj n LEU 23 Cb 0.53 -0.04 -0.00 0.00 -0.11 0.00 0.00 43.42 43.80 2dbj n LEU 23 CO 0.52 -0.42 -0.05 0.59 -1.51 0.00 0.00 177.39 176.52 2dbj n ASN 24 N -2.05 -1.90 -4.59 -1.43 3.02 -1.26 0.27 115.26 107.32 2dbj n ASN 24 Ca 0.00 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.53 2dbj n ASN 24 Cb 0.26 -1.72 -0.03 0.00 -0.61 0.00 0.00 39.78 37.68 2dbj n ASN 24 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2dbj s VAL 25 N -2.18 3.43 0.30 2.41 1.01 -1.25 -3.89 120.40 120.23 2dbj s VAL 25 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.46 2dbj s VAL 25 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 2dbj s VAL 25 CO 0.00 -0.47 -0.05 0.42 0.00 0.00 0.00 175.10 175.01 2dbj s THR 26 N 7.44 1.68 -0.08 3.92 -4.23 -0.74 -5.03 115.64 118.59 2dbj s THR 26 Ca 0.79 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 2dbj s THR 26 Cb -0.21 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.13 2dbj s THR 26 CO 0.31 -0.24 0.06 -0.69 -0.54 0.00 0.00 174.62 173.52 2dbj s VAL 27 N -2.98 -0.06 -0.14 2.29 1.01 -1.26 -3.58 120.40 115.68 2dbj s VAL 27 Ca 0.31 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2dbj s VAL 27 Cb 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2dbj s VAL 27 CO 0.13 0.06 -0.22 -0.36 0.00 0.00 0.00 175.10 174.71 2dbj s PHE 28 N 2.14 2.67 -0.55 5.22 0.08 -0.57 -5.03 117.98 121.94 2dbj s PHE 28 Ca 0.04 -1.36 -0.24 0.00 0.12 0.00 0.00 56.93 55.49 2dbj s PHE 28 Cb -0.13 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2dbj s PHE 28 CO -0.05 -0.62 0.91 -1.17 -0.10 0.00 0.00 175.22 174.19 2dbj s LEU 29 N 0.85 4.19 -0.29 -0.37 2.96 -1.26 -1.01 118.68 123.76 2dbj s LEU 29 Ca -0.06 -0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 53.13 2dbj s LEU 29 Cb -0.15 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 2dbj s LEU 29 CO -0.03 -1.21 2.07 0.20 -1.32 0.00 0.00 176.35 176.07 2dbj s ASN 30 N 2.87 5.53 0.06 3.68 0.01 -0.98 -4.84 114.94 121.28 2dbj s ASN 30 Ca 0.29 1.59 -0.10 0.00 -0.71 0.00 0.00 52.86 53.93 2dbj s ASN 30 Cb -0.13 -2.52 -0.29 0.00 0.41 0.00 0.00 41.25 38.72 2dbj s ASN 30 CO 0.18 -1.95 1.10 -0.33 -1.51 0.00 0.00 177.10 174.60 2dbj h GLU 31 N 14.60 0.42 -0.03 -0.60 5.08 -1.94 -3.28 114.58 128.83 2dbj h GLU 31 Ca -0.37 -0.67 -0.11 0.00 -1.00 0.00 0.00 59.36 57.21 2dbj h GLU 31 Cb 1.21 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2dbj h GLU 31 CO 1.01 1.31 -0.49 0.77 -1.00 0.00 0.00 179.01 180.60 2dbj h SER 32 N 0.14 0.07 -3.66 1.42 0.02 -1.96 -3.42 113.55 106.15 2dbj h SER 32 Ca -0.18 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.20 2dbj h SER 32 Cb 2.00 -0.02 -0.32 0.00 0.14 0.00 0.00 62.40 64.20 2dbj h SER 32 CO 0.23 0.55 -0.82 -0.44 -1.14 0.00 0.00 176.83 175.21 2dbj s SER 33 N -6.89 1.95 -0.92 3.07 0.01 -1.24 -5.04 113.70 104.64 2dbj s SER 33 Ca -0.03 -0.32 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 2dbj s SER 33 Cb 0.13 -0.71 -0.17 0.00 0.21 0.00 0.00 66.02 65.48 2dbj s SER 33 CO 0.75 0.10 1.92 -0.67 0.41 0.00 0.00 173.24 175.75 2dbj n ASP 34 N 3.45 2.35 -3.45 2.44 2.03 -1.26 -4.40 116.55 117.71 2dbj n ASP 34 Ca -0.20 -2.63 -0.06 0.00 0.52 0.00 0.00 54.79 52.42 2dbj n ASP 34 Cb 0.53 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 2dbj n ASP 34 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2dbj s ASN 35 N 6.56 -0.11 -0.13 1.67 0.01 -1.26 -4.01 114.94 117.68 2dbj s ASN 35 Ca 0.68 -0.73 0.01 0.00 -0.71 0.00 0.00 52.86 52.11 2dbj s ASN 35 Cb 0.04 0.66 0.02 0.00 0.41 0.00 0.00 41.25 42.38 2dbj s ASN 35 CO 0.17 -1.27 -0.17 -0.69 -1.51 0.00 0.00 177.10 173.63 2dbj s VAL 36 N -2.92 1.72 -0.06 1.60 1.01 -0.64 -2.32 120.40 118.80 2dbj s VAL 36 Ca 0.15 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 2dbj s VAL 36 Cb -0.04 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2dbj s VAL 36 CO 0.07 0.48 0.39 -0.62 0.00 0.00 0.00 175.10 175.42 2dbj s ASP 37 N 1.10 6.70 -0.00 3.32 -1.08 -0.18 -2.73 116.67 123.80 2dbj s ASP 37 Ca -0.03 0.83 0.03 0.00 -0.52 0.00 0.00 52.55 52.86 2dbj s ASP 37 Cb -0.14 -2.24 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 2dbj s ASP 37 CO -0.05 0.22 -0.08 -0.63 0.52 0.00 0.00 175.17 175.15 2dbj s ILE 38 N -0.44 0.64 -0.03 4.11 1.09 -0.84 -1.51 121.20 124.21 2dbj s ILE 38 Ca 0.23 -0.39 -0.02 0.00 -1.10 0.00 0.00 60.65 59.36 2dbj s ILE 38 Cb -0.15 -0.55 0.02 0.00 -1.06 0.00 0.00 42.46 40.72 2dbj s ILE 38 CO 0.11 0.15 0.07 -0.60 -0.10 0.00 0.00 174.94 174.56 2dbj s ARG 39 N -0.28 0.05 0.27 2.79 6.06 -1.23 -2.33 118.95 124.27 2dbj s ARG 39 Ca 0.02 0.15 -0.02 0.00 -2.50 0.00 0.00 55.73 53.39 2dbj s ARG 39 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 34.95 34.89 2dbj s ARG 39 CO -0.00 -0.07 0.30 1.67 -2.50 0.00 0.00 175.30 174.70 2dbj s TRP 40 N 0.45 1.11 0.34 5.12 -2.14 -1.25 -1.80 118.94 120.77 2dbj s TRP 40 Ca -0.03 -1.30 0.08 0.00 2.66 0.00 0.00 56.10 57.51 2dbj s TRP 40 Cb -0.05 -0.35 -0.03 0.00 -3.10 0.00 0.00 33.47 29.94 2dbj s TRP 40 CO -0.02 -0.86 0.22 -1.64 -2.66 0.00 0.00 176.95 171.99 2dbj s MET 41 N -3.75 2.54 0.19 3.25 -1.94 0.14 -4.91 119.30 114.82 2dbj s MET 41 Ca 0.34 -1.43 -0.30 0.00 -1.71 0.00 0.00 55.69 52.59 2dbj s MET 41 Cb 0.03 -2.32 -0.08 0.00 2.01 0.00 0.00 34.83 34.47 2dbj s MET 41 CO 0.16 0.09 1.06 0.15 -0.01 0.00 0.00 175.02 176.48 2dbj s LYS 42 N -3.92 4.65 0.85 2.03 1.02 -1.26 -3.15 119.74 119.95 2dbj s LYS 42 Ca 0.40 1.66 -0.11 0.00 0.02 0.00 0.00 55.97 57.94 2dbj s LYS 42 Cb -0.04 -3.28 0.10 0.00 -0.52 0.00 0.00 37.83 34.09 2dbj s LYS 42 CO 0.25 0.16 1.09 -1.25 -0.92 0.00 0.00 175.35 174.68 2dbj s PRO 43 N -0.53 1.60 0.00 -1.68 0.04 -1.26 -4.75 135.00 128.42 2dbj s PRO 43 Ca 0.47 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.53 2dbj s PRO 43 Cb -0.28 -1.84 0.47 0.00 0.04 0.00 0.00 34.50 32.89 2dbj s PRO 43 CO 0.35 -2.03 0.92 -0.35 0.04 0.00 0.00 177.00 175.93 2dbj n PRO 44 N -3.76 0.49 -1.84 0.56 -0.04 -1.26 -4.67 135.00 124.48 2dbj n PRO 44 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 2dbj n PRO 44 Cb 0.54 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 2dbj n PRO 44 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dbj s THR 45 N -2.00 3.26 0.00 0.52 -4.23 -1.26 -4.42 115.64 107.51 2dbj s THR 45 Ca 0.12 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2dbj s THR 45 Cb 0.05 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2dbj s THR 45 CO 0.09 -0.55 0.00 1.17 -0.54 0.00 0.00 174.62 174.80 2dbj n LYS 46 N 8.79 0.00 0.00 3.99 4.81 -1.25 -4.44 118.16 130.05 2dbj n LYS 46 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2dbj n LYS 46 Cb 0.45 -0.62 0.00 0.00 0.02 0.00 0.00 35.03 34.88 2dbj n LYS 46 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2dbj n GLN 47 N -2.46 2.87 0.07 1.64 6.02 -1.26 -4.42 117.38 119.83 2dbj n GLN 47 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2dbj n GLN 47 Cb 0.34 -0.86 -0.02 0.00 1.02 0.00 0.00 30.24 30.72 2dbj n GLN 47 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2dbj h GLN 48 N 0.00 -0.19 0.01 -1.09 4.15 -1.92 -3.37 115.11 112.70 2dbj h GLN 48 Ca 0.00 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 2dbj h GLN 48 Cb 0.71 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2dbj h GLN 48 CO 0.00 -0.13 -0.72 -0.44 -1.93 0.00 0.00 178.83 175.62 2dbj h ASP 49 N -0.20 0.03 0.00 -0.69 3.32 -1.91 -3.51 116.42 113.46 2dbj h ASP 49 Ca -0.02 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2dbj h ASP 49 Cb 0.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2dbj h ASP 49 CO 0.02 1.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.43 2dbj n GLY 50 N 1.53 -0.43 3.09 2.75 0.00 -1.26 -5.02 105.19 105.85 2dbj n GLY 50 Ca -0.22 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2dbj n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dbj s GLU 51 N 0.00 0.62 -0.03 1.61 -1.05 -1.26 -3.89 118.70 114.70 2dbj s GLU 51 Ca 0.00 -0.87 -0.29 0.00 -0.15 0.00 0.00 54.97 53.65 2dbj s GLU 51 Cb 0.00 -0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 33.31 2dbj s GLU 51 CO 0.00 0.06 0.95 -1.17 0.95 0.00 0.00 175.26 176.05 2dbj s LEU 52 N -1.83 4.34 -0.06 1.83 1.98 -1.26 -4.41 118.68 119.27 2dbj s LEU 52 Ca -0.06 1.58 0.08 0.00 -2.89 0.00 0.00 54.13 52.85 2dbj s LEU 52 Cb -0.08 -3.51 -0.12 0.00 0.66 0.00 0.00 46.19 43.14 2dbj s LEU 52 CO -0.00 -0.28 0.09 1.33 -1.89 0.00 0.00 176.35 175.60 2dbj n VAL 53 N 4.00 0.40 -4.02 1.68 0.24 -1.08 -4.80 118.33 114.75 2dbj n VAL 53 Ca 0.06 -0.32 0.03 0.00 -2.04 0.00 0.00 64.34 62.08 2dbj n VAL 53 Cb 0.51 -0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.46 2dbj n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dbj n GLY 54 N 2.30 0.19 3.42 7.63 0.00 -1.02 -0.25 105.19 117.46 2dbj n GLY 54 Ca -0.10 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 2dbj n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dbj s TYR 55 N -2.07 1.89 -0.24 1.61 1.51 0.00 -0.34 117.35 119.71 2dbj s TYR 55 Ca 0.25 -0.80 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 2dbj s TYR 55 Cb -0.00 -1.13 0.07 0.00 -0.11 0.00 0.00 41.96 40.79 2dbj s TYR 55 CO -0.02 0.16 0.04 0.50 -1.11 0.00 0.00 175.55 175.12 2dbj s ARG 56 N -3.79 0.83 -0.11 -0.62 6.06 0.14 -2.99 118.95 118.46 2dbj s ARG 56 Ca 0.31 -0.73 -0.11 0.00 -2.50 0.00 0.00 55.73 52.71 2dbj s ARG 56 Cb 0.05 -2.14 -0.05 0.00 0.06 0.00 0.00 34.95 32.88 2dbj s ARG 56 CO 0.12 -0.75 0.23 0.42 -2.50 0.00 0.00 175.30 172.82 2dbj s ILE 57 N 1.71 5.34 -0.31 4.11 1.01 -1.22 -0.12 121.20 131.72 2dbj s ILE 57 Ca 0.02 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.11 2dbj s ILE 57 Cb -0.17 -3.53 0.09 0.00 0.01 0.00 0.00 42.46 38.86 2dbj s ILE 57 CO -0.14 0.54 0.05 -0.94 0.00 0.00 0.00 174.94 174.45 2dbj s SER 58 N -0.53 4.34 -0.29 3.58 1.04 0.13 -2.45 113.70 119.53 2dbj s SER 58 Ca 0.16 -1.81 -0.01 0.00 0.48 0.00 0.00 55.95 54.77 2dbj s SER 58 Cb -0.13 -1.26 0.05 0.00 0.10 0.00 0.00 66.02 64.77 2dbj s SER 58 CO 0.05 -0.37 -0.02 -1.38 0.98 0.00 0.00 173.24 172.50 2dbj s HIS 59 N 1.26 3.24 0.11 5.02 -3.43 -1.21 -2.49 115.29 117.79 2dbj s HIS 59 Ca 0.08 -1.90 0.05 0.00 -0.80 0.00 0.00 55.06 52.49 2dbj s HIS 59 Cb -0.18 -2.07 -0.04 0.00 -1.43 0.00 0.00 32.58 28.85 2dbj s HIS 59 CO -0.15 -0.81 0.01 0.08 -2.00 0.00 0.00 174.74 171.88 2dbj s VAL 60 N 1.24 4.00 -0.02 -5.38 1.01 -1.11 -2.27 120.40 117.87 2dbj s VAL 60 Ca -0.05 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.91 2dbj s VAL 60 Cb -0.19 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2dbj s VAL 60 CO -0.02 0.06 -0.17 0.26 0.00 0.00 0.00 175.10 175.23 2dbj s TRP 61 N -1.41 2.60 -0.10 5.22 0.52 -0.01 -1.53 118.94 124.22 2dbj s TRP 61 Ca 0.26 -0.23 -0.03 0.00 0.02 0.00 0.00 56.10 56.12 2dbj s TRP 61 Cb -0.11 -1.56 0.04 0.00 -1.15 0.00 0.00 33.47 30.69 2dbj s TRP 61 CO 0.19 0.17 0.07 -0.65 0.02 0.00 0.00 176.95 176.74 2dbj s GLN 62 N -0.90 0.05 0.18 4.98 -0.21 -0.42 -1.39 119.66 121.95 2dbj s GLN 62 Ca 0.12 0.15 0.07 0.00 0.02 0.00 0.00 55.36 55.73 2dbj s GLN 62 Cb -0.10 -1.12 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 2dbj s GLN 62 CO 0.02 -0.47 -0.15 0.45 -2.12 0.00 0.00 175.29 173.01 2dbj s SER 63 N 2.13 2.47 -0.53 5.90 0.15 0.26 -1.03 113.70 123.05 2dbj s SER 63 Ca 0.04 -0.96 -0.26 0.00 0.70 0.00 0.00 55.95 55.46 2dbj s SER 63 Cb -0.14 -0.12 -0.06 0.00 -1.71 0.00 0.00 66.02 63.99 2dbj s SER 63 CO -0.06 -0.15 2.26 0.00 1.20 0.00 0.00 173.24 176.49 2dbj s ALA 64 N -2.73 1.76 0.00 5.45 0.00 -1.26 -1.28 121.76 123.70 2dbj s ALA 64 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2dbj s ALA 64 Cb -0.02 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2dbj s ALA 64 CO 0.06 -4.34 0.00 0.41 0.00 0.00 0.00 175.76 171.89 2dbj n GLY 65 N 5.94 2.58 2.75 0.00 0.00 -1.26 -5.02 105.19 110.18 2dbj n GLY 65 Ca 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 2dbj n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dbj s ILE 66 N -2.71 0.37 -0.17 -0.61 -1.09 -0.40 -5.12 121.20 111.47 2dbj s ILE 66 Ca 0.00 -0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2dbj s ILE 66 Cb 0.00 -0.62 0.04 0.00 -1.58 0.00 0.00 42.46 40.30 2dbj s ILE 66 CO 0.00 0.14 -0.07 -0.94 -1.23 0.00 0.00 174.94 172.84 2dbj s SER 67 N 1.96 2.88 0.30 3.58 1.04 -1.26 0.91 113.70 123.11 2dbj s SER 67 Ca 0.04 -0.67 0.10 0.00 0.48 0.00 0.00 55.95 55.90 2dbj s SER 67 Cb -0.13 -0.98 -0.06 0.00 0.10 0.00 0.00 66.02 64.95 2dbj s SER 67 CO -0.06 -0.17 -0.15 -0.54 0.98 0.00 0.00 173.24 173.31 2dbj s LYS 68 N 1.59 1.71 -0.05 4.02 1.02 -0.49 -5.00 119.74 122.54 2dbj s LYS 68 Ca 0.01 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.17 2dbj s LYS 68 Cb -0.15 -1.67 0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2dbj s LYS 68 CO -0.08 0.23 -0.02 -2.00 -0.92 0.00 0.00 175.35 172.55 2dbj s GLU 69 N -3.57 0.67 0.25 1.68 2.12 -1.26 -0.83 118.70 117.75 2dbj s GLU 69 Ca 0.31 -0.01 0.11 0.00 0.36 0.00 0.00 54.97 55.73 2dbj s GLU 69 Cb -0.01 -0.81 -0.05 0.00 0.26 0.00 0.00 34.13 33.53 2dbj s GLU 69 CO 0.15 -0.15 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.09 2dbj s LEU 70 N 1.22 2.83 -0.12 2.70 2.01 -0.96 -4.96 118.68 121.40 2dbj s LEU 70 Ca -0.07 -0.82 -0.04 0.00 0.01 0.00 0.00 54.13 53.22 2dbj s LEU 70 Cb -0.14 -1.39 0.06 0.00 0.01 0.00 0.00 46.19 44.73 2dbj s LEU 70 CO -0.02 0.04 0.18 -0.22 1.01 0.00 0.00 176.35 177.35 2dbj s LEU 71 N -3.38 -0.08 0.19 1.79 1.98 -1.26 -3.30 118.68 114.61 2dbj s LEU 71 Ca 0.29 0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.73 2dbj s LEU 71 Cb -0.06 0.31 -0.04 0.00 0.66 0.00 0.00 46.19 47.06 2dbj s LEU 71 CO 0.16 -0.27 0.34 -0.70 -1.89 0.00 0.00 176.35 173.99 2dbj s GLU 72 N 2.30 3.47 -0.11 1.98 2.56 -1.03 -5.03 118.70 122.85 2dbj s GLU 72 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 54.97 54.48 2dbj s GLU 72 Cb -0.13 -2.90 0.02 0.00 2.00 0.00 0.00 34.13 33.12 2dbj s GLU 72 CO -0.07 0.45 -0.10 -1.21 -0.56 0.00 0.00 175.26 173.77 2dbj s GLU 73 N -3.42 1.68 0.15 4.30 2.02 -1.26 -3.38 118.70 118.79 2dbj s GLU 73 Ca 0.36 -0.34 0.08 0.00 0.02 0.00 0.00 54.97 55.09 2dbj s GLU 73 Cb -0.11 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 2dbj s GLU 73 CO 0.29 -0.18 -0.17 0.14 0.02 0.00 0.00 175.26 175.35 2dbj s VAL 74 N 1.40 1.69 0.54 2.63 -7.23 -1.16 -5.04 120.40 113.23 2dbj s VAL 74 Ca -0.00 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 2dbj s VAL 74 Cb -0.13 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.09 2dbj s VAL 74 CO -0.05 -0.33 0.36 -0.83 -0.31 0.00 0.00 175.10 173.94 2dbj s GLY 75 N -2.58 2.45 0.47 2.32 0.00 -1.26 -0.82 107.32 107.90 2dbj s GLY 75 Ca 0.14 -1.15 0.37 0.00 0.00 0.00 0.00 44.72 44.08 2dbj s GLY 75 CO 0.06 -1.97 1.58 0.06 0.00 0.00 0.00 173.10 172.83 2dbj h GLN 76 N 0.81 0.01 -6.61 2.90 3.07 -0.90 -3.39 115.11 111.00 2dbj h GLN 76 Ca -0.37 -0.00 -0.49 0.00 0.09 0.00 0.00 58.65 57.87 2dbj h GLN 76 Cb 1.30 -0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.87 2dbj h GLN 76 CO 0.59 0.01 -0.11 1.21 0.09 0.00 0.00 178.83 180.62 2dbj s ASN 77 N -4.19 6.33 0.00 0.06 3.84 -1.26 -4.66 114.94 115.06 2dbj s ASN 77 Ca -0.07 0.63 0.00 0.00 0.21 0.00 0.00 52.86 53.64 2dbj s ASN 77 Cb 0.30 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.89 2dbj s ASN 77 CO 0.85 -0.33 0.00 0.61 -2.79 0.00 0.00 177.10 175.43 2dbj n GLY 78 N -1.66 0.50 0.51 1.21 0.00 -1.26 -4.92 105.19 99.57 2dbj n GLY 78 Ca -0.03 -0.24 0.28 0.00 0.00 0.00 0.00 46.02 46.03 2dbj n GLY 78 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dbj h SER 79 N 0.00 0.00 -3.41 1.61 0.02 -1.88 -3.35 113.55 106.54 2dbj h SER 79 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2dbj h SER 79 Cb 0.49 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.77 2dbj h SER 79 CO 0.00 0.00 -0.75 -0.60 -1.14 0.00 0.00 176.83 174.34 2dbj s ARG 80 N -4.51 3.31 0.24 3.45 3.52 -1.26 -3.89 118.95 119.80 2dbj s ARG 80 Ca -0.03 -0.66 0.08 0.00 -0.13 0.00 0.00 55.73 54.99 2dbj s ARG 80 Cb 0.15 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 2dbj s ARG 80 CO 0.51 0.28 0.04 0.00 -0.81 0.00 0.00 175.30 175.32 2dbj s ALA 81 N 0.19 3.26 0.02 6.12 0.00 -0.98 -4.97 121.76 125.40 2dbj s ALA 81 Ca -0.07 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2dbj s ALA 81 Cb -0.15 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2dbj s ALA 81 CO 0.05 0.33 -0.04 0.50 0.00 0.00 0.00 175.76 176.60 2dbj s ARG 82 N -3.49 0.35 0.05 0.00 3.52 -1.26 -1.99 118.95 116.13 2dbj s ARG 82 Ca 0.30 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 2dbj s ARG 82 Cb -0.08 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.32 2dbj s ARG 82 CO 0.20 -0.03 -0.04 0.42 -0.81 0.00 0.00 175.30 175.04 2dbj s ILE 83 N -1.44 0.31 -0.39 4.11 1.01 -1.10 -4.94 121.20 118.75 2dbj s ILE 83 Ca -0.15 -1.48 -0.13 0.00 0.00 0.00 0.00 60.65 58.90 2dbj s ILE 83 Cb -0.10 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.33 2dbj s ILE 83 CO -0.01 -0.75 0.25 -0.55 0.00 0.00 0.00 174.94 173.88 2dbj s SER 84 N -2.34 5.91 -0.56 3.58 0.15 -1.26 -1.61 113.70 117.57 2dbj s SER 84 Ca -0.01 -0.95 -0.32 0.00 0.70 0.00 0.00 55.95 55.36 2dbj s SER 84 Cb -0.00 -2.09 -0.17 0.00 -1.71 0.00 0.00 66.02 62.06 2dbj s SER 84 CO -0.05 -0.42 1.92 0.52 1.20 0.00 0.00 173.24 176.41 2dbj n VAL 85 N 5.07 0.00 0.03 4.45 0.31 -1.26 -4.77 118.33 122.16 2dbj n VAL 85 Ca -0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 2dbj n VAL 85 Cb 0.46 -0.41 -0.13 0.00 -0.91 0.00 0.00 33.84 32.85 2dbj n VAL 85 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2dbj h GLN 86 N 8.27 0.09 -3.78 5.55 1.08 -1.97 -3.46 115.11 120.89 2dbj h GLN 86 Ca -0.07 -0.15 -0.29 0.00 -1.45 0.00 0.00 58.65 56.69 2dbj h GLN 86 Cb 1.14 0.06 -0.31 0.00 -0.05 0.00 0.00 27.48 28.31 2dbj h GLN 86 CO 0.98 0.86 -0.74 0.08 -0.95 0.00 0.00 178.83 179.06 2dbj s VAL 87 N -2.63 0.11 0.20 -0.54 1.01 -1.26 -5.16 120.40 112.12 2dbj s VAL 87 Ca -0.05 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2dbj s VAL 87 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 2dbj s VAL 87 CO 0.83 0.08 0.18 -1.00 0.00 0.00 0.00 175.10 175.19 2dbj s HIS 88 N 0.50 3.17 -1.38 5.22 3.76 -1.26 -4.52 115.29 120.78 2dbj s HIS 88 Ca -0.05 -0.04 -0.06 0.00 -0.15 0.00 0.00 55.06 54.77 2dbj s HIS 88 Cb -0.07 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.14 2dbj s HIS 88 CO -0.01 0.52 0.73 -1.71 -0.85 0.00 0.00 174.74 173.42 2dbj n ASN 89 N -0.69 -5.89 -4.28 1.40 2.85 0.19 -4.86 115.26 103.98 2dbj n ASN 89 Ca -0.08 -0.34 -0.15 0.00 -0.11 0.00 0.00 54.58 53.90 2dbj n ASN 89 Cb 0.56 -4.65 -0.10 0.00 1.24 0.00 0.00 39.78 36.83 2dbj n ASN 89 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dbj s ALA 90 N -3.19 1.53 -0.34 5.20 0.00 -1.15 -4.82 121.76 119.00 2dbj s ALA 90 Ca 0.36 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 2dbj s ALA 90 Cb -0.16 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2dbj s ALA 90 CO 0.45 -0.46 0.21 0.95 0.00 0.00 0.00 175.76 176.91 2dbj s THR 91 N -3.83 4.97 0.02 0.00 -4.23 -0.20 -1.67 115.64 110.70 2dbj s THR 91 Ca 0.35 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 2dbj s THR 91 Cb 0.07 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 2dbj s THR 91 CO 0.11 -0.03 -0.04 0.00 -0.54 0.00 0.00 174.62 174.12 2dbj s THR 93 N -1.07 2.82 0.09 0.00 2.01 -0.58 -0.25 115.64 118.66 2dbj s THR 93 Ca 0.19 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 2dbj s THR 93 Cb -0.11 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 2dbj s THR 93 CO 0.10 0.32 0.48 -0.69 -0.69 0.00 0.00 174.62 174.13 2dbj s VAL 94 N 1.35 4.96 -0.00 3.82 1.01 -1.08 -2.77 120.40 127.68 2dbj s VAL 94 Ca 0.02 0.74 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 2dbj s VAL 94 Cb -0.15 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2dbj s VAL 94 CO -0.06 0.34 0.54 -0.13 0.00 0.00 0.00 175.10 175.79 2dbj s ARG 95 N -1.72 0.97 0.01 2.72 0.52 -1.04 -2.86 118.95 117.56 2dbj s ARG 95 Ca 0.33 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 2dbj s ARG 95 Cb -0.15 0.45 -0.01 0.00 0.52 0.00 0.00 34.95 35.75 2dbj s ARG 95 CO 0.18 -0.32 -0.02 0.42 0.02 0.00 0.00 175.30 175.58 2dbj s ILE 96 N -1.73 0.11 0.01 1.52 1.01 -1.26 -0.69 121.20 120.18 2dbj s ILE 96 Ca -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2dbj s ILE 96 Cb -0.01 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 2dbj s ILE 96 CO 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 174.94 174.67 2dbj s ALA 97 N -0.84 0.25 -0.13 9.38 0.00 0.82 0.14 121.76 131.38 2dbj s ALA 97 Ca -0.09 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 2dbj s ALA 97 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2dbj s ALA 97 CO -0.00 -0.02 1.02 0.00 0.00 0.00 0.00 175.76 176.75 2dbj s ALA 98 N -0.67 3.46 -0.13 0.00 0.00 -1.26 0.28 121.76 123.45 2dbj s ALA 98 Ca -0.05 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 2dbj s ALA 98 Cb -0.05 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2dbj s ALA 98 CO -0.00 -0.70 0.01 0.08 0.00 0.00 0.00 175.76 175.15 2dbj s VAL 99 N 2.26 4.34 0.38 0.00 1.01 0.53 -3.20 120.40 125.73 2dbj s VAL 99 Ca 0.48 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2dbj s VAL 99 Cb -0.18 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 2dbj s VAL 99 CO 0.16 0.54 0.09 0.35 0.00 0.00 0.00 175.10 176.24 2dbj n THR 100 N 2.84 0.00 0.87 3.92 -2.24 -1.20 -2.45 114.28 116.02 2dbj n THR 100 Ca -0.18 -2.09 0.09 0.00 -2.27 0.00 0.00 64.05 59.60 2dbj n THR 100 Cb 0.53 0.65 0.46 0.00 -2.10 0.00 0.00 70.33 69.87 2dbj n THR 100 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dbj n ARG 101 N -0.90 0.28 -0.12 -0.78 5.12 -1.26 -3.28 116.66 115.73 2dbj n ARG 101 Ca -0.09 0.11 -0.25 0.00 -1.93 0.00 0.00 57.85 55.68 2dbj n ARG 101 Cb 0.55 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.24 2dbj n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dbj n GLY 102 N 0.22 -0.62 0.00 -0.13 0.00 -1.26 -5.10 105.19 98.30 2dbj n GLY 102 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2dbj n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dbj n GLY 103 N 1.43 0.25 3.64 -0.02 0.00 -1.21 -4.88 105.19 104.39 2dbj n GLY 103 Ca -0.43 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2dbj n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dbj s VAL 104 N -2.00 4.83 0.26 1.61 1.01 -1.26 -3.21 120.40 121.63 2dbj s VAL 104 Ca 0.00 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 2dbj s VAL 104 Cb 0.00 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.31 2dbj s VAL 104 CO 0.00 -0.10 0.36 0.61 0.00 0.00 0.00 175.10 175.97 2dbj n GLY 105 N 3.79 -0.21 3.77 4.51 0.00 -1.19 -4.89 105.19 110.97 2dbj n GLY 105 Ca 0.06 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 2dbj n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbj s PRO 106 N -3.54 3.47 0.89 1.61 0.04 -1.26 -4.73 135.00 131.49 2dbj s PRO 106 Ca 0.22 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 2dbj s PRO 106 Cb -0.01 -2.12 0.16 0.00 0.04 0.00 0.00 34.50 32.57 2dbj s PRO 106 CO 0.15 -0.76 1.24 -0.06 0.04 0.00 0.00 177.00 177.61 2dbj s PHE 107 N -1.71 2.02 0.78 0.56 0.40 -1.26 -4.29 117.98 114.48 2dbj s PHE 107 Ca 0.70 0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 57.32 2dbj s PHE 107 Cb -0.25 -3.83 0.17 0.00 0.51 0.00 0.00 43.02 39.62 2dbj s PHE 107 CO 0.29 -2.29 1.07 -1.13 0.70 0.00 0.00 175.22 173.86 2dbj n SER 108 N -3.54 0.39 -4.71 1.36 3.41 0.36 -4.78 113.62 106.12 2dbj n SER 108 Ca 0.13 -1.58 -0.43 0.00 -0.26 0.00 0.00 58.87 56.73 2dbj n SER 108 Cb 0.60 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2dbj n SER 108 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2dbj n ASP 109 N -3.51 3.82 -4.71 4.04 5.68 -1.26 -4.66 116.55 115.95 2dbj n ASP 109 Ca 0.14 1.07 -0.42 0.00 -0.50 0.00 0.00 54.79 55.09 2dbj n ASP 109 Cb 0.50 -1.55 -0.03 0.00 -1.14 0.00 0.00 41.12 38.90 2dbj n ASP 109 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2dbj s PRO 110 N 0.96 4.32 -0.27 0.11 0.04 -1.26 -4.83 135.00 134.06 2dbj s PRO 110 Ca 0.75 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.81 2dbj s PRO 110 Cb -0.54 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 30.70 2dbj s PRO 110 CO 0.35 -0.47 -0.05 0.08 0.04 0.00 0.00 177.00 176.96 2dbj s VAL 111 N 1.46 2.77 -0.11 -0.36 1.01 -1.13 -4.98 120.40 119.06 2dbj s VAL 111 Ca 0.64 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2dbj s VAL 111 Cb -0.35 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2dbj s VAL 111 CO 0.29 0.02 1.35 -0.75 0.00 0.00 0.00 175.10 176.02 2dbj s LYS 112 N 1.25 4.24 -0.07 2.72 2.20 -1.26 -2.65 119.74 126.17 2dbj s LYS 112 Ca -0.04 1.81 0.03 0.00 -0.36 0.00 0.00 55.97 57.41 2dbj s LYS 112 Cb -0.19 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 2dbj s LYS 112 CO -0.03 -0.68 -0.15 -1.50 -0.36 0.00 0.00 175.35 172.63 2dbj s ILE 113 N 3.29 3.00 -0.33 5.43 1.10 0.66 -4.99 121.20 129.35 2dbj s ILE 113 Ca 0.60 -0.73 -0.16 0.00 -0.51 0.00 0.00 60.65 59.85 2dbj s ILE 113 Cb -0.26 -2.19 -0.01 0.00 0.15 0.00 0.00 42.46 40.15 2dbj s ILE 113 CO 0.20 0.57 0.43 0.12 -2.11 0.00 0.00 174.94 174.15 2dbj s PHE 114 N -0.41 3.21 -0.48 3.50 5.36 -1.26 -1.77 117.98 126.12 2dbj s PHE 114 Ca 0.05 0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.95 2dbj s PHE 114 Cb -0.12 -2.75 0.04 0.00 -0.34 0.00 0.00 43.02 39.84 2dbj s PHE 114 CO 0.02 -0.44 0.69 0.42 -1.46 0.00 0.00 175.22 174.45 2dbj s ILE 115 N 2.18 4.77 0.31 3.12 -1.09 -0.67 -5.01 121.20 124.81 2dbj s ILE 115 Ca 0.15 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 2dbj s ILE 115 Cb -0.16 -4.29 -0.10 0.00 -1.58 0.00 0.00 42.46 36.33 2dbj s ILE 115 CO 0.12 -0.75 1.23 -2.16 -1.23 0.00 0.00 174.94 172.15 2dbj s PRO 116 N 2.95 4.46 0.81 2.79 0.04 -1.26 0.58 135.00 145.37 2dbj s PRO 116 Ca 0.22 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 2dbj s PRO 116 Cb -0.15 -3.12 0.08 0.00 0.04 0.00 0.00 34.50 31.35 2dbj s PRO 116 CO 0.17 -0.04 1.17 0.00 0.04 0.00 0.00 177.00 178.34 2dbj s ALA 117 N -1.10 1.88 -1.02 8.56 0.00 -1.26 -3.30 121.76 125.51 2dbj s ALA 117 Ca 0.48 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2dbj s ALA 117 Cb -0.37 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.32 2dbj s ALA 117 CO 0.48 -2.22 0.22 1.58 0.00 0.00 0.00 175.76 175.82 2dbj n HIS 118 N -3.39 -0.95 -1.45 0.00 -0.00 -1.26 -4.61 115.22 103.57 2dbj n HIS 118 Ca 0.12 0.26 -0.48 0.00 -0.00 0.00 0.00 57.72 57.62 2dbj n HIS 118 Cb 0.51 -2.02 -0.08 0.00 -0.00 0.00 0.00 29.99 28.40 2dbj n HIS 118 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2dbj n SER 119 N -1.70 1.79 -3.63 0.26 2.88 -1.21 -4.85 113.62 107.16 2dbj n SER 119 Ca -0.17 0.29 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 2dbj n SER 119 Cb 0.46 -1.23 -0.06 0.00 -0.75 0.00 0.00 64.21 62.64 2dbj n SER 119 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dbj s GLY 120 N 8.04 0.11 0.24 0.46 0.00 -1.26 -4.91 107.32 109.99 2dbj s GLY 120 Ca 1.13 2.95 -0.30 0.00 0.00 0.00 0.00 44.72 48.50 2dbj s GLY 120 CO 0.48 1.48 1.27 2.56 0.00 0.00 0.00 173.10 178.89 2dbj s PRO 121 N -0.52 4.42 -0.65 2.90 0.04 -1.26 -4.93 135.00 134.99 2dbj s PRO 121 Ca 0.06 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 2dbj s PRO 121 Cb -0.03 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2dbj s PRO 121 CO -0.09 -0.17 1.81 -1.12 0.04 0.00 0.00 177.00 177.47 2dbj s SER 122 N -0.01 5.35 -1.30 6.66 0.01 -1.26 -3.13 113.70 120.02 2dbj s SER 122 Ca 0.53 0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.87 2dbj s SER 122 Cb -0.36 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.34 2dbj s SER 122 CO 0.42 -2.35 1.00 -1.20 0.41 0.00 0.00 173.24 171.51 2dbj n SER 123 N 12.51 -6.05 -0.06 2.44 7.64 -1.26 -5.34 113.62 123.50 2dbj n SER 123 Ca 0.21 -0.45 0.01 0.00 1.01 0.00 0.00 58.87 59.64 2dbj n SER 123 Cb 0.51 -4.71 0.01 0.00 -1.01 0.00 0.00 64.21 59.01 2dbj n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64