#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 0.37 0.08 1.61 1.04 -1.26 -5.18 113.70 110.36 2dbj s SER 2 Ca 0.00 -1.16 -0.04 0.00 0.48 0.00 0.00 55.95 55.22 2dbj s SER 2 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2dbj s SER 2 CO 0.00 -0.70 0.08 -0.94 0.98 0.00 0.00 173.24 172.66 2dbj s SER 3 N -3.03 0.31 -0.31 7.02 1.04 -1.26 -5.12 113.70 112.35 2dbj s SER 3 Ca 0.21 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 55.68 2dbj s SER 3 Cb 0.08 0.27 0.22 0.00 0.10 0.00 0.00 66.02 66.68 2dbj s SER 3 CO -0.01 -0.67 1.16 -0.83 0.98 0.00 0.00 173.24 173.87 2dbj s GLY 4 N -2.91 -2.01 1.16 7.32 0.00 -1.26 -5.17 107.32 104.46 2dbj s GLY 4 Ca 0.08 0.78 -0.15 0.00 0.00 0.00 0.00 44.72 45.43 2dbj s GLY 4 CO -0.09 4.42 0.61 1.44 0.00 0.00 0.00 173.10 179.47 2dbj n SER 5 N 2.58 -2.03 0.01 1.64 7.64 -1.26 -5.01 113.62 117.19 2dbj n SER 5 Ca 0.10 -0.15 -0.02 0.00 1.01 0.00 0.00 58.87 59.81 2dbj n SER 5 Cb 0.66 -1.14 -0.01 0.00 -1.01 0.00 0.00 64.21 62.72 2dbj n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbj n SER 6 N -3.65 1.08 0.00 6.43 2.88 -1.26 -5.16 113.62 113.93 2dbj n SER 6 Ca 0.02 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2dbj n SER 6 Cb 0.57 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2dbj n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbj n GLY 7 N 3.02 -0.53 2.71 0.46 0.00 -1.26 -5.07 105.19 104.52 2dbj n GLY 7 Ca -0.03 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2dbj n GLY 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dbj s TRP 8 N -3.07 2.49 -0.16 1.61 0.52 -1.26 -5.09 118.94 113.98 2dbj s TRP 8 Ca 0.00 -2.85 -0.14 0.00 0.02 0.00 0.00 56.10 53.13 2dbj s TRP 8 Cb 0.00 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 2dbj s TRP 8 CO 0.00 -0.68 0.29 0.42 0.02 0.00 0.00 176.95 177.00 2dbj s ILE 9 N -0.62 5.30 -0.21 2.03 1.01 -1.26 -5.07 121.20 122.38 2dbj s ILE 9 Ca 0.26 0.54 -0.00 0.00 0.00 0.00 0.00 60.65 61.45 2dbj s ILE 9 Cb -0.06 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.84 2dbj s ILE 9 CO -0.14 0.40 -0.03 -0.22 0.00 0.00 0.00 174.94 174.94 2dbj s LEU 10 N 0.40 2.06 -0.04 2.97 2.96 -1.26 -5.11 118.68 120.65 2dbj s LEU 10 Ca 0.17 -1.00 -0.22 0.00 -0.22 0.00 0.00 54.13 52.86 2dbj s LEU 10 Cb -0.13 -0.99 0.04 0.00 0.50 0.00 0.00 46.19 45.61 2dbj s LEU 10 CO 0.04 -0.24 0.48 0.00 -1.32 0.00 0.00 176.35 175.31 2dbj s ALA 11 N 1.55 -1.24 -0.81 5.97 0.00 -1.26 -5.11 121.76 120.87 2dbj s ALA 11 Ca -0.03 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 2dbj s ALA 11 Cb -0.18 -0.01 0.20 0.00 0.00 0.00 0.00 23.12 23.13 2dbj s ALA 11 CO -0.07 -0.31 0.66 -1.54 0.00 0.00 0.00 175.76 174.51 2dbj s SER 12 N -1.17 5.61 0.05 0.00 1.04 -1.26 -4.88 113.70 113.09 2dbj s SER 12 Ca -0.12 -3.61 -0.16 0.00 0.48 0.00 0.00 55.95 52.54 2dbj s SER 12 Cb -0.03 -1.84 -0.24 0.00 0.10 0.00 0.00 66.02 64.01 2dbj s SER 12 CO 0.06 -0.19 1.14 0.00 0.98 0.00 0.00 173.24 175.23 2dbj h THR 13 N 4.34 1.33 -3.75 2.02 1.03 -2.05 -3.45 112.91 112.38 2dbj h THR 13 Ca 0.12 -2.23 -0.32 0.00 -0.01 0.00 0.00 66.41 63.97 2dbj h THR 13 Cb 0.82 2.52 -0.30 0.00 -1.07 0.00 0.00 68.15 70.12 2dbj h THR 13 CO 0.80 0.68 -0.75 -0.89 -0.01 0.00 0.00 175.52 175.35 2dbj s THR 14 N -3.21 0.30 0.32 0.00 2.01 -1.26 -5.15 115.64 108.64 2dbj s THR 14 Ca -0.11 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 2dbj s THR 14 Cb 0.05 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.30 2dbj s THR 14 CO 0.89 0.11 0.65 -1.83 -0.69 0.00 0.00 174.62 173.75 2dbj s GLU 15 N 0.23 1.91 -1.31 4.92 -1.05 -1.26 -5.06 118.70 117.07 2dbj s GLU 15 Ca -0.02 -1.33 -0.16 0.00 -0.15 0.00 0.00 54.97 53.30 2dbj s GLU 15 Cb -0.05 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 2dbj s GLU 15 CO -0.00 -0.85 2.07 0.41 0.95 0.00 0.00 175.26 177.83 2dbj n GLY 16 N -0.48 3.59 3.25 -3.83 0.00 -1.26 -4.86 105.19 101.60 2dbj n GLY 16 Ca -0.04 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 4.07 -0.70 -0.91 4.61 0.00 -1.26 -3.99 121.76 123.58 2dbj s ALA 17 Ca 0.51 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 2dbj s ALA 17 Cb 0.11 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 2dbj s ALA 17 CO -0.01 -0.41 1.95 -1.25 0.00 0.00 0.00 175.76 176.04 2dbj s PRO 18 N -2.51 2.55 0.00 0.00 0.04 -1.26 -4.82 135.00 128.99 2dbj s PRO 18 Ca -0.05 -0.32 -0.02 0.00 0.04 0.00 0.00 61.00 60.65 2dbj s PRO 18 Cb -0.01 -5.07 -0.09 0.00 0.04 0.00 0.00 34.50 29.37 2dbj s PRO 18 CO -0.03 -3.40 2.46 0.43 0.04 0.00 0.00 177.00 176.49 2dbj n SER 19 N 14.01 5.04 -3.41 6.66 7.64 -1.26 -3.89 113.62 138.41 2dbj n SER 19 Ca 0.40 -2.37 -0.10 0.00 1.01 0.00 0.00 58.87 57.81 2dbj n SER 19 Cb 0.47 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 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 0.46 0.00 0.23 0.44 -7.23 -1.26 -4.96 120.40 108.07 2dbj s VAL 20 Ca 0.23 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2dbj s VAL 20 Cb 0.11 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2dbj s VAL 20 CO 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.75 2dbj s ALA 21 N -3.17 1.88 0.63 1.32 0.00 -1.26 -4.16 121.76 117.00 2dbj s ALA 21 Ca 0.20 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 2dbj s ALA 21 Cb -0.03 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 2dbj s ALA 21 CO 0.12 -0.16 1.12 -1.25 0.00 0.00 0.00 175.76 175.58 2dbj s PRO 22 N -3.80 2.94 0.30 0.00 0.04 -1.26 -4.71 135.00 128.51 2dbj s PRO 22 Ca 0.26 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2dbj s PRO 22 Cb 0.04 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dbj s PRO 22 CO 0.08 -1.15 0.34 1.28 0.04 0.00 0.00 177.00 177.59 2dbj n LEU 23 N -2.13 0.00 -3.46 -3.56 4.32 -1.15 -4.59 117.00 106.43 2dbj n LEU 23 Ca 0.11 -1.39 -0.23 0.00 -0.02 0.00 0.00 56.01 54.48 2dbj n LEU 23 Cb 0.52 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 2dbj n LEU 23 CO 0.46 -0.54 -0.07 0.59 -1.22 0.00 0.00 177.39 176.62 2dbj n ASN 24 N -2.35 -2.43 -4.60 -1.43 5.03 -1.26 0.01 115.26 108.23 2dbj n ASN 24 Ca 0.05 -0.39 -0.43 0.00 0.87 0.00 0.00 54.58 54.68 2dbj n ASN 24 Cb 0.32 -2.09 -0.02 0.00 -1.02 0.00 0.00 39.78 36.97 2dbj n ASN 24 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2dbj s VAL 25 N -2.77 3.74 0.25 2.41 1.01 -1.26 -3.94 120.40 119.85 2dbj s VAL 25 Ca 0.41 0.74 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2dbj s VAL 25 Cb -0.23 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2dbj s VAL 25 CO 0.51 -0.69 0.01 0.42 0.00 0.00 0.00 175.10 175.35 2dbj s THR 26 N 6.04 1.05 -0.14 3.92 -4.23 -0.69 -5.04 115.64 116.56 2dbj s THR 26 Ca 0.67 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2dbj s THR 26 Cb -0.16 -2.44 0.05 0.00 1.34 0.00 0.00 72.50 71.29 2dbj s THR 26 CO 0.32 -0.25 0.07 -0.69 -0.54 0.00 0.00 174.62 173.53 2dbj s VAL 27 N -3.41 0.03 -0.25 2.29 1.01 -1.26 -3.06 120.40 115.76 2dbj s VAL 27 Ca 0.30 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 2dbj s VAL 27 Cb 0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2dbj s VAL 27 CO 0.10 -0.13 0.18 -0.36 0.00 0.00 0.00 175.10 174.90 2dbj s PHE 28 N 2.09 3.30 -0.38 5.22 0.40 0.33 -4.97 117.98 123.97 2dbj s PHE 28 Ca 0.02 0.22 -0.15 0.00 -0.60 0.00 0.00 56.93 56.43 2dbj s PHE 28 Cb -0.15 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.07 2dbj s PHE 28 CO -0.07 0.01 0.33 -1.17 0.70 0.00 0.00 175.22 175.02 2dbj s LEU 29 N 1.24 4.73 -0.09 -0.37 2.96 -1.26 0.26 118.68 126.15 2dbj s LEU 29 Ca 0.08 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 2dbj s LEU 29 Cb -0.14 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2dbj s LEU 29 CO 0.06 -0.39 1.08 0.21 -1.32 0.00 0.00 176.35 175.99 2dbj s ASN 30 N 1.73 7.17 -0.09 3.68 3.84 -0.98 -4.94 114.94 125.36 2dbj s ASN 30 Ca 0.09 1.63 -0.20 0.00 0.21 0.00 0.00 52.86 54.59 2dbj s ASN 30 Cb -0.18 -2.56 -0.28 0.00 -0.55 0.00 0.00 41.25 37.68 2dbj s ASN 30 CO 0.11 -0.50 0.71 -0.33 -2.79 0.00 0.00 177.10 174.30 2dbj h GLU 31 N 7.23 0.23 -0.62 0.43 4.39 -1.97 -3.35 114.58 120.93 2dbj h GLU 31 Ca -0.32 -0.40 -0.04 0.00 0.34 0.00 0.00 59.36 58.95 2dbj h GLU 31 Cb 1.15 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 2dbj h GLU 31 CO 0.87 1.19 0.24 0.66 -1.16 0.00 0.00 179.01 180.80 2dbj h SER 32 N -0.44 0.83 -4.06 1.42 4.64 -1.94 -3.43 113.55 110.58 2dbj h SER 32 Ca -0.21 -0.11 -0.69 0.00 -0.47 0.00 0.00 61.79 60.31 2dbj h SER 32 Cb 1.62 -0.21 -0.23 0.00 -0.31 0.00 0.00 62.40 63.26 2dbj h SER 32 CO 0.08 0.75 -0.79 -0.55 -0.87 0.00 0.00 176.83 175.45 2dbj s SER 33 N -6.51 3.88 -1.18 4.97 0.15 -1.26 -5.02 113.70 108.74 2dbj s SER 33 Ca -0.10 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 2dbj s SER 33 Cb 0.16 -0.73 -0.12 0.00 -1.71 0.00 0.00 66.02 63.62 2dbj s SER 33 CO 0.80 0.31 2.93 0.47 1.20 0.00 0.00 173.24 178.96 2dbj n ASP 34 N 2.06 7.38 -4.07 5.45 9.92 -1.26 -4.40 116.55 131.62 2dbj n ASP 34 Ca -0.17 -2.50 -0.07 0.00 -0.53 0.00 0.00 54.79 51.52 2dbj n ASP 34 Cb 0.52 -1.44 -0.10 0.00 -0.64 0.00 0.00 41.12 39.46 2dbj n ASP 34 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dbj s ASN 35 N 2.33 0.45 -0.19 -2.24 2.20 -1.26 -1.29 114.94 114.95 2dbj s ASN 35 Ca 0.64 -0.95 0.01 0.00 -0.94 0.00 0.00 52.86 51.62 2dbj s ASN 35 Cb 0.19 0.20 0.03 0.00 -2.00 0.00 0.00 41.25 39.68 2dbj s ASN 35 CO -0.04 -0.59 -0.14 -0.69 -2.94 0.00 0.00 177.10 172.70 2dbj s VAL 36 N -3.77 1.77 0.34 3.54 1.01 0.10 -2.31 120.40 121.07 2dbj s VAL 36 Ca 0.06 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 2dbj s VAL 36 Cb 0.07 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 2dbj s VAL 36 CO -0.10 0.31 0.82 -1.81 0.00 0.00 0.00 175.10 174.33 2dbj s ASP 37 N 1.37 6.95 -0.04 3.32 1.01 0.14 -1.95 116.67 127.47 2dbj s ASP 37 Ca 0.01 1.50 -0.01 0.00 0.71 0.00 0.00 52.55 54.76 2dbj s ASP 37 Cb -0.15 -2.46 0.03 0.00 1.01 0.00 0.00 42.92 41.36 2dbj s ASP 37 CO -0.10 -0.19 0.08 -0.63 0.21 0.00 0.00 175.17 174.55 2dbj s ILE 38 N -1.91 -0.09 0.04 0.77 1.09 0.99 -0.51 121.20 121.59 2dbj s ILE 38 Ca 0.54 0.27 0.05 0.00 -1.10 0.00 0.00 60.65 60.41 2dbj s ILE 38 Cb -0.12 -0.16 -0.02 0.00 -1.06 0.00 0.00 42.46 41.10 2dbj s ILE 38 CO 0.18 0.11 -0.15 -0.13 -0.10 0.00 0.00 174.94 174.84 2dbj s ARG 39 N 1.46 1.00 0.27 2.79 1.81 -1.17 -1.18 118.95 123.92 2dbj s ARG 39 Ca -0.05 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.15 2dbj s ARG 39 Cb -0.12 -1.04 -0.00 0.00 -0.45 0.00 0.00 34.95 33.34 2dbj s ARG 39 CO -0.04 0.25 0.34 -2.67 -0.68 0.00 0.00 175.30 172.50 2dbj n TRP 40 N 1.81 -1.05 -4.40 -0.53 2.14 -1.23 -1.71 117.44 112.46 2dbj n TRP 40 Ca -0.18 -1.95 -0.21 0.00 2.07 0.00 0.00 57.50 57.23 2dbj n TRP 40 Cb 0.54 0.37 -0.10 0.00 -0.81 0.00 0.00 31.31 31.31 2dbj n TRP 40 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 2dbj s MET 41 N -2.75 1.48 0.08 -2.67 -1.94 0.10 -4.92 119.30 108.68 2dbj s MET 41 Ca 0.25 -1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 52.27 2dbj s MET 41 Cb -0.00 -1.43 -0.05 0.00 2.01 0.00 0.00 34.83 35.35 2dbj s MET 41 CO 0.18 0.26 1.01 0.21 -0.01 0.00 0.00 175.02 176.67 2dbj s LYS 42 N -3.51 4.61 0.89 2.03 2.36 -1.26 -2.93 119.74 121.92 2dbj s LYS 42 Ca 0.25 1.51 -0.11 0.00 -2.55 0.00 0.00 55.97 55.07 2dbj s LYS 42 Cb -0.03 -3.39 0.12 0.00 -1.05 0.00 0.00 37.83 33.49 2dbj s LYS 42 CO 0.10 0.06 1.09 -1.25 1.55 0.00 0.00 175.35 176.90 2dbj s PRO 43 N 0.40 1.34 0.00 4.03 0.04 -1.26 -4.78 135.00 134.76 2dbj s PRO 43 Ca 0.50 0.85 0.08 0.00 0.04 0.00 0.00 61.00 62.47 2dbj s PRO 43 Cb -0.24 -1.82 0.48 0.00 0.04 0.00 0.00 34.50 32.96 2dbj s PRO 43 CO 0.30 -2.19 0.93 -0.35 0.04 0.00 0.00 177.00 175.73 2dbj n PRO 44 N -3.85 0.49 -1.96 0.56 -0.04 -1.26 -4.56 135.00 124.38 2dbj n PRO 44 Ca 0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 2dbj n PRO 44 Cb 0.55 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2dbj n PRO 44 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dbj n THR 45 N -0.76 2.09 -0.08 0.52 -2.24 -1.26 -4.45 114.28 108.10 2dbj n THR 45 Ca 0.06 -2.12 -0.10 0.00 -2.27 0.00 0.00 64.05 59.62 2dbj n THR 45 Cb 0.03 -2.21 -0.10 0.00 -2.10 0.00 0.00 70.33 65.95 2dbj n THR 45 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2dbj n LYS 46 N 8.06 1.05 0.00 -0.78 2.85 -1.26 -4.52 118.16 123.56 2dbj n LYS 46 Ca 0.46 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.77 2dbj n LYS 46 Cb 0.45 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 2dbj n LYS 46 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dbj n GLN 47 N -2.78 1.79 0.10 -1.58 10.64 -1.26 -4.19 117.38 120.10 2dbj n GLN 47 Ca -0.28 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.76 2dbj n GLN 47 Cb 0.89 -0.84 -0.08 0.00 -0.86 0.00 0.00 30.24 29.35 2dbj n GLN 47 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 2dbj h GLN 48 N 0.00 -0.22 0.00 2.61 4.15 -1.85 -3.38 115.11 116.42 2dbj h GLN 48 Ca 0.00 0.01 -0.43 0.00 0.77 0.00 0.00 58.65 59.01 2dbj h GLN 48 Cb 0.00 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 2dbj h GLN 48 CO 0.00 -0.00 -2.42 -3.47 -1.93 0.00 0.00 178.83 171.00 2dbj n ASP 49 N -5.11 1.85 0.00 -0.69 -0.08 -1.26 -4.95 116.55 106.31 2dbj n ASP 49 Ca -0.09 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 2dbj n ASP 49 Cb 0.18 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.86 2dbj n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dbj n GLY 50 N 1.36 0.93 3.01 0.27 0.00 -1.26 -5.03 105.19 104.46 2dbj n GLY 50 Ca -0.51 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 0.16 0.08 1.61 -1.05 -1.26 -4.59 118.70 113.65 2dbj s GLU 51 Ca 0.00 0.62 -0.31 0.00 -0.15 0.00 0.00 54.97 55.14 2dbj s GLU 51 Cb 0.00 -0.10 -0.06 0.00 -0.44 0.00 0.00 34.13 33.53 2dbj s GLU 51 CO 0.00 -0.23 1.22 -1.17 0.95 0.00 0.00 175.26 176.03 2dbj s LEU 52 N 1.86 4.38 -0.01 1.83 0.20 -1.26 -4.54 118.68 121.13 2dbj s LEU 52 Ca -0.04 2.08 0.21 0.00 0.69 0.00 0.00 54.13 57.08 2dbj s LEU 52 Cb -0.11 -3.58 -0.26 0.00 -0.43 0.00 0.00 46.19 41.80 2dbj s LEU 52 CO -0.08 -0.48 0.75 1.33 -0.29 0.00 0.00 176.35 177.58 2dbj n VAL 53 N 3.77 0.00 -3.33 1.68 0.24 -0.87 -4.75 118.33 115.06 2dbj n VAL 53 Ca 0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2dbj n VAL 53 Cb 0.46 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.41 -0.89 3.40 7.63 0.00 -1.14 0.21 105.19 115.82 2dbj n GLY 54 Ca 0.01 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.00 1.73 -0.24 1.61 1.51 -0.98 -0.96 117.35 117.01 2dbj s TYR 55 Ca 0.00 -1.41 -0.02 0.00 -1.01 0.00 0.00 57.07 54.63 2dbj s TYR 55 Cb 0.00 -0.95 0.08 0.00 -0.11 0.00 0.00 41.96 40.97 2dbj s TYR 55 CO 0.00 -0.52 0.05 1.03 -1.11 0.00 0.00 175.55 175.00 2dbj s ARG 56 N -3.67 0.78 -0.18 -0.62 1.81 -0.10 -4.04 118.95 112.93 2dbj s ARG 56 Ca 0.32 -0.73 -0.07 0.00 -1.72 0.00 0.00 55.73 53.52 2dbj s ARG 56 Cb 0.03 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.40 2dbj s ARG 56 CO 0.19 -0.77 0.06 0.42 -0.68 0.00 0.00 175.30 174.51 2dbj s ILE 57 N 1.72 4.73 -0.28 1.52 1.01 -1.25 -0.99 121.20 127.66 2dbj s ILE 57 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.64 2dbj s ILE 57 Cb -0.17 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.24 2dbj s ILE 57 CO -0.15 0.46 -0.03 -0.55 0.00 0.00 0.00 174.94 174.67 2dbj s SER 58 N 0.39 4.30 -0.27 3.58 0.15 0.58 -2.10 113.70 120.33 2dbj s SER 58 Ca 0.03 -1.55 -0.05 0.00 0.70 0.00 0.00 55.95 55.08 2dbj s SER 58 Cb -0.13 -1.39 0.01 0.00 -1.71 0.00 0.00 66.02 62.81 2dbj s SER 58 CO 0.00 -0.27 0.03 -1.38 1.20 0.00 0.00 173.24 172.82 2dbj s HIS 59 N 1.19 3.11 0.08 3.44 -3.43 -1.13 -2.74 115.29 115.81 2dbj s HIS 59 Ca -0.01 -1.14 0.07 0.00 -0.80 0.00 0.00 55.06 53.18 2dbj s HIS 59 Cb -0.19 -2.18 -0.04 0.00 -1.43 0.00 0.00 32.58 28.74 2dbj s HIS 59 CO -0.08 -0.61 -0.11 0.08 -2.00 0.00 0.00 174.74 172.02 2dbj s VAL 60 N 1.45 3.32 -0.18 -5.38 1.01 -1.17 -2.02 120.40 117.42 2dbj s VAL 60 Ca 0.02 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2dbj s VAL 60 Cb -0.17 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.72 2dbj s VAL 60 CO -0.00 0.18 -0.20 0.26 0.00 0.00 0.00 175.10 175.34 2dbj s TRP 61 N -1.15 2.73 -0.31 5.22 0.52 0.94 -2.21 118.94 124.68 2dbj s TRP 61 Ca 0.20 -1.61 0.03 0.00 0.02 0.00 0.00 56.10 54.74 2dbj s TRP 61 Cb -0.11 -1.89 0.09 0.00 -1.15 0.00 0.00 33.47 30.41 2dbj s TRP 61 CO 0.12 -0.79 0.01 -0.65 0.02 0.00 0.00 176.95 175.65 2dbj s GLN 62 N 1.29 1.57 0.26 4.98 -0.21 -0.73 -0.40 119.66 126.42 2dbj s GLN 62 Ca 0.05 -1.56 0.08 0.00 0.02 0.00 0.00 55.36 53.94 2dbj s GLN 62 Cb -0.13 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 2dbj s GLN 62 CO -0.13 -0.83 0.15 0.45 -2.12 0.00 0.00 175.29 172.82 2dbj s SER 63 N 1.09 5.25 -0.53 5.90 0.15 0.23 -2.11 113.70 123.68 2dbj s SER 63 Ca 0.05 -0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.06 2dbj s SER 63 Cb -0.19 -1.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.84 2dbj s SER 63 CO -0.09 -0.05 2.23 0.00 1.20 0.00 0.00 173.24 176.53 2dbj s ALA 64 N -2.20 1.80 0.00 5.45 0.00 -1.26 -1.23 121.76 124.32 2dbj s ALA 64 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2dbj s ALA 64 Cb -0.07 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2dbj s ALA 64 CO 0.24 -4.29 0.00 0.41 0.00 0.00 0.00 175.76 172.11 2dbj n GLY 65 N 5.91 2.52 2.88 0.00 0.00 -1.26 -5.05 105.19 110.18 2dbj n GLY 65 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.51 0.38 -0.27 -0.61 -1.09 -0.36 -5.12 121.20 111.61 2dbj s ILE 66 Ca 0.00 -0.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.36 2dbj s ILE 66 Cb 0.00 -0.42 0.08 0.00 -1.58 0.00 0.00 42.46 40.55 2dbj s ILE 66 CO 0.00 0.18 0.05 -0.94 -1.23 0.00 0.00 174.94 173.00 2dbj s SER 67 N 0.78 3.83 0.12 3.58 1.04 -1.26 0.77 113.70 122.55 2dbj s SER 67 Ca -0.09 -1.42 0.10 0.00 0.48 0.00 0.00 55.95 55.02 2dbj s SER 67 Cb -0.12 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 2dbj s SER 67 CO -0.01 -0.35 -0.24 -0.54 0.98 0.00 0.00 173.24 173.08 2dbj s LYS 68 N 1.56 1.56 0.01 4.02 1.02 0.46 -5.01 119.74 123.36 2dbj s LYS 68 Ca 0.04 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 54.80 2dbj s LYS 68 Cb -0.18 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 2dbj s LYS 68 CO -0.16 0.47 -0.12 -2.00 -0.92 0.00 0.00 175.35 172.62 2dbj s GLU 69 N -1.99 0.90 0.10 1.68 -6.30 -1.26 -0.04 118.70 111.79 2dbj s GLU 69 Ca 0.15 -0.52 0.03 0.00 -2.50 0.00 0.00 54.97 52.13 2dbj s GLU 69 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 34.13 33.12 2dbj s GLU 69 CO 0.07 0.23 -0.08 -0.51 0.02 0.00 0.00 175.26 174.99 2dbj s LEU 70 N -0.57 2.47 -0.06 2.70 1.43 -0.86 -4.96 118.68 118.83 2dbj s LEU 70 Ca 0.03 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2dbj s LEU 70 Cb -0.06 -0.18 0.02 0.00 0.03 0.00 0.00 46.19 46.00 2dbj s LEU 70 CO 0.00 -0.37 -0.07 -0.22 0.23 0.00 0.00 176.35 175.92 2dbj s LEU 71 N -2.79 1.35 0.20 1.79 1.98 -1.26 -2.84 118.68 117.11 2dbj s LEU 71 Ca 0.09 -0.20 0.04 0.00 -2.89 0.00 0.00 54.13 51.17 2dbj s LEU 71 Cb 0.02 -0.63 -0.03 0.00 0.66 0.00 0.00 46.19 46.21 2dbj s LEU 71 CO -0.02 -0.05 0.29 -0.70 -1.89 0.00 0.00 176.35 173.98 2dbj s GLU 72 N 1.03 3.32 -0.10 1.98 2.56 -0.89 -5.01 118.70 121.59 2dbj s GLU 72 Ca -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 54.97 54.16 2dbj s GLU 72 Cb -0.14 -2.86 0.01 0.00 2.00 0.00 0.00 34.13 33.14 2dbj s GLU 72 CO -0.00 0.47 -0.15 -1.21 -0.56 0.00 0.00 175.26 173.80 2dbj s GLU 73 N -3.57 2.19 0.03 4.30 2.02 -1.26 -3.96 118.70 118.45 2dbj s GLU 73 Ca 0.34 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.80 2dbj s GLU 73 Cb -0.10 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 2dbj s GLU 73 CO 0.28 -0.02 -0.09 0.14 0.02 0.00 0.00 175.26 175.59 2dbj s VAL 74 N 0.86 0.66 0.36 2.63 -7.23 -1.26 -5.06 120.40 111.36 2dbj s VAL 74 Ca -0.09 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 2dbj s VAL 74 Cb -0.15 -0.64 0.06 0.00 0.56 0.00 0.00 36.38 36.21 2dbj s VAL 74 CO 0.01 -0.11 0.49 0.61 -0.31 0.00 0.00 175.10 175.79 2dbj n GLY 75 N 2.07 1.58 0.31 2.32 0.00 -1.26 -2.31 105.19 107.90 2dbj n GLY 75 Ca -0.18 -2.13 0.13 0.00 0.00 0.00 0.00 46.02 43.84 2dbj n GLY 75 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2dbj h GLN 76 N 0.00 0.00 -2.11 1.61 3.07 0.21 -2.54 115.11 115.35 2dbj h GLN 76 Ca -0.16 0.00 -0.77 0.00 0.09 0.00 0.00 58.65 57.81 2dbj h GLN 76 Cb 0.71 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 28.01 2dbj h GLN 76 CO 0.21 0.00 1.07 -1.71 0.09 0.00 0.00 178.83 178.49 2dbj n ASN 77 N -4.39 7.44 -2.72 0.06 5.15 -1.26 -4.55 115.26 114.99 2dbj n ASN 77 Ca 0.02 -3.73 -0.06 0.00 -0.60 0.00 0.00 54.58 50.22 2dbj n ASN 77 Cb 0.30 -1.13 0.05 0.00 -0.53 0.00 0.00 39.78 38.47 2dbj n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dbj n GLY 78 N -0.21 1.60 0.31 8.20 0.00 -0.95 -4.90 105.19 109.23 2dbj n GLY 78 Ca 0.51 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.59 2dbj n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dbj h SER 79 N 2.71 0.00 -4.01 1.61 4.64 -1.84 -3.38 113.55 113.28 2dbj h SER 79 Ca -0.14 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.60 2dbj h SER 79 Cb 1.22 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.00 2dbj h SER 79 CO 0.33 0.00 -0.84 -0.60 -0.87 0.00 0.00 176.83 174.84 2dbj s ARG 80 N -3.97 1.81 0.08 4.77 3.52 -1.26 -3.55 118.95 120.34 2dbj s ARG 80 Ca -0.03 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 2dbj s ARG 80 Cb 0.07 -1.60 -0.03 0.00 -1.56 0.00 0.00 34.95 31.83 2dbj s ARG 80 CO 0.24 0.29 -0.11 0.00 -0.81 0.00 0.00 175.30 174.90 2dbj s ALA 81 N -0.08 1.03 0.01 6.12 0.00 -0.33 -4.98 121.76 123.53 2dbj s ALA 81 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2dbj s ALA 81 Cb -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2dbj s ALA 81 CO 0.02 0.04 -0.02 0.50 0.00 0.00 0.00 175.76 176.30 2dbj s ARG 82 N -2.15 0.20 -0.03 0.00 3.00 -1.26 -0.00 118.95 118.71 2dbj s ARG 82 Ca -0.00 -0.29 0.03 0.00 -1.00 0.00 0.00 55.73 54.46 2dbj s ARG 82 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 34.95 34.84 2dbj s ARG 82 CO 0.01 0.00 -0.10 0.42 0.00 0.00 0.00 175.30 175.63 2dbj s ILE 83 N -0.62 0.88 -0.58 4.11 1.01 -0.82 -4.92 121.20 120.26 2dbj s ILE 83 Ca -0.06 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 2dbj s ILE 83 Cb -0.04 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.68 2dbj s ILE 83 CO -0.00 0.27 1.17 -0.55 0.00 0.00 0.00 174.94 175.83 2dbj s SER 84 N 0.17 6.44 -0.42 3.58 0.15 -1.26 -0.72 113.70 121.64 2dbj s SER 84 Ca -0.03 0.08 -0.37 0.00 0.70 0.00 0.00 55.95 56.33 2dbj s SER 84 Cb -0.09 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.52 2dbj s SER 84 CO 0.01 -1.46 1.65 0.52 1.20 0.00 0.00 173.24 175.15 2dbj n VAL 85 N 6.64 0.00 0.01 4.45 0.31 -0.41 -4.81 118.33 124.52 2dbj n VAL 85 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.22 2dbj n VAL 85 Cb 0.49 -0.42 -0.14 0.00 -0.91 0.00 0.00 33.84 32.86 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 6.53 0.23 -5.39 5.55 1.08 -1.91 -3.48 115.11 117.72 2dbj h GLN 86 Ca -0.16 -0.39 -0.46 0.00 -1.45 0.00 0.00 58.65 56.19 2dbj h GLN 86 Cb 1.17 0.14 -0.25 0.00 -0.05 0.00 0.00 27.48 28.49 2dbj h GLN 86 CO 0.88 1.08 -0.80 0.08 -0.95 0.00 0.00 178.83 179.12 2dbj s VAL 87 N -2.57 1.17 0.18 -0.54 1.01 -1.26 -5.15 120.40 113.23 2dbj s VAL 87 Ca -0.17 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 60.91 2dbj s VAL 87 Cb 0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2dbj s VAL 87 CO 0.79 0.05 -0.11 -1.00 0.00 0.00 0.00 175.10 174.83 2dbj s HIS 88 N -0.80 2.59 -1.19 5.22 3.76 -1.26 -4.64 115.29 118.97 2dbj s HIS 88 Ca 0.02 -0.24 -0.03 0.00 -0.15 0.00 0.00 55.06 54.67 2dbj s HIS 88 Cb -0.08 -1.27 0.00 0.00 1.11 0.00 0.00 32.58 32.35 2dbj s HIS 88 CO 0.01 0.51 0.39 -1.71 -0.85 0.00 0.00 174.74 173.09 2dbj n ASN 89 N 0.07 -4.93 -4.25 1.40 2.85 0.44 -4.87 115.26 105.96 2dbj n ASN 89 Ca -0.11 -0.19 -0.21 0.00 -0.11 0.00 0.00 54.58 53.97 2dbj n ASN 89 Cb 0.55 -3.83 -0.10 0.00 1.24 0.00 0.00 39.78 37.65 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 -2.98 2.30 -0.35 5.20 0.00 -1.23 -4.75 121.76 119.95 2dbj s ALA 90 Ca 0.19 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.30 2dbj s ALA 90 Cb -0.09 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.90 2dbj s ALA 90 CO 0.24 -0.39 0.20 0.95 0.00 0.00 0.00 175.76 176.76 2dbj s THR 91 N -3.43 4.77 -0.10 0.00 -4.23 -0.90 -1.68 115.64 110.08 2dbj s THR 91 Ca 0.33 -0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 2dbj s THR 91 Cb 0.06 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 2dbj s THR 91 CO 0.15 -0.09 0.02 0.00 -0.54 0.00 0.00 174.62 174.17 2dbj s THR 93 N -0.81 2.74 0.02 0.00 2.01 -0.94 -0.94 115.64 117.71 2dbj s THR 93 Ca 0.12 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 2dbj s THR 93 Cb -0.12 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 2dbj s THR 93 CO 0.02 0.35 0.37 -0.69 -0.69 0.00 0.00 174.62 173.99 2dbj s VAL 94 N 1.35 5.12 -0.20 3.82 1.01 -0.81 -3.05 120.40 127.64 2dbj s VAL 94 Ca 0.03 0.60 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2dbj s VAL 94 Cb -0.15 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.67 2dbj s VAL 94 CO -0.07 0.47 0.45 -0.13 0.00 0.00 0.00 175.10 175.82 2dbj s ARG 95 N -1.40 0.38 0.07 2.72 0.52 -1.11 -2.58 118.95 117.55 2dbj s ARG 95 Ca 0.26 1.02 0.09 0.00 -0.52 0.00 0.00 55.73 56.58 2dbj s ARG 95 Cb -0.15 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 2dbj s ARG 95 CO 0.14 -0.22 -0.23 0.42 0.02 0.00 0.00 175.30 175.43 2dbj s ILE 96 N 2.28 2.43 0.19 1.52 1.01 -1.26 -0.31 121.20 127.06 2dbj s ILE 96 Ca -0.04 -1.43 -0.02 0.00 0.00 0.00 0.00 60.65 59.15 2dbj s ILE 96 Cb -0.11 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2dbj s ILE 96 CO -0.14 0.27 0.15 0.00 0.00 0.00 0.00 174.94 175.22 2dbj s ALA 97 N -0.93 0.94 0.06 9.38 0.00 -0.16 -0.39 121.76 130.65 2dbj s ALA 97 Ca 0.14 -1.55 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 2dbj s ALA 97 Cb -0.10 1.24 -0.07 0.00 0.00 0.00 0.00 23.12 24.19 2dbj s ALA 97 CO 0.05 -0.60 0.56 0.00 0.00 0.00 0.00 175.76 175.77 2dbj s ALA 98 N -4.12 3.59 -0.12 0.00 0.00 -1.26 -0.92 121.76 118.93 2dbj s ALA 98 Ca 0.34 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.35 2dbj s ALA 98 Cb 0.06 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.57 2dbj s ALA 98 CO 0.09 0.39 -0.23 0.08 0.00 0.00 0.00 175.76 176.10 2dbj s VAL 99 N -1.06 2.03 0.45 0.00 1.01 -0.14 -2.41 120.40 120.28 2dbj s VAL 99 Ca 0.29 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2dbj s VAL 99 Cb -0.19 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2dbj s VAL 99 CO 0.18 0.55 0.11 0.42 0.00 0.00 0.00 175.10 176.36 2dbj s THR 100 N 0.58 0.66 -1.49 3.92 -4.23 -1.23 -2.05 115.64 111.80 2dbj s THR 100 Ca -0.13 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 2dbj s THR 100 Cb -0.17 -2.25 0.15 0.00 1.34 0.00 0.00 72.50 71.57 2dbj s THR 100 CO 0.04 0.00 0.95 0.54 -0.54 0.00 0.00 174.62 175.61 2dbj n ARG 101 N -1.03 1.54 -0.00 3.99 1.74 -1.26 -3.57 116.66 118.06 2dbj n ARG 101 Ca -0.10 -0.58 -0.00 0.00 -0.77 0.00 0.00 57.85 56.40 2dbj n ARG 101 Cb 0.65 -1.35 -0.01 0.00 -1.02 0.00 0.00 32.46 30.73 2dbj n ARG 101 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dbj n GLY 102 N 0.47 -0.03 0.00 -0.13 0.00 -1.26 -5.13 105.19 99.10 2dbj n GLY 102 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.98 2.15 3.69 -0.02 0.00 -1.23 -4.78 105.19 107.98 2dbj n GLY 103 Ca -0.01 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2dbj n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dbj s VAL 104 N -2.00 4.98 0.85 1.61 0.11 -1.26 -3.47 120.40 121.23 2dbj s VAL 104 Ca 0.00 1.50 -0.10 0.00 -2.93 0.00 0.00 61.98 60.45 2dbj s VAL 104 Cb 0.00 -4.07 0.16 0.00 -1.53 0.00 0.00 36.38 30.94 2dbj s VAL 104 CO 0.00 0.16 1.18 -0.83 -3.33 0.00 0.00 175.10 172.28 2dbj s GLY 105 N 0.97 1.76 0.37 6.54 0.00 -1.01 -4.84 107.32 111.10 2dbj s GLY 105 Ca 0.37 -1.35 -0.27 0.00 0.00 0.00 0.00 44.72 43.48 2dbj s GLY 105 CO 0.16 -0.68 1.20 2.56 0.00 0.00 0.00 173.10 176.34 2dbj s PRO 106 N -5.57 4.20 0.64 2.90 0.04 -1.25 -4.66 135.00 131.29 2dbj s PRO 106 Ca 0.70 1.95 -0.14 0.00 0.04 0.00 0.00 61.00 63.55 2dbj s PRO 106 Cb -0.05 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 2dbj s PRO 106 CO 0.49 -0.23 1.06 -0.06 0.04 0.00 0.00 177.00 178.30 2dbj s PHE 107 N -1.30 3.01 0.87 0.56 0.40 -1.26 -4.27 117.98 115.99 2dbj s PHE 107 Ca 0.53 1.48 -0.15 0.00 -0.60 0.00 0.00 56.93 58.20 2dbj s PHE 107 Cb -0.34 -2.96 0.21 0.00 0.51 0.00 0.00 43.02 40.44 2dbj s PHE 107 CO 0.43 -1.19 0.85 -1.13 0.70 0.00 0.00 175.22 174.88 2dbj n SER 108 N -2.50 -1.38 -4.73 1.36 3.41 0.47 -4.92 113.62 105.33 2dbj n SER 108 Ca 0.08 -1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 2dbj n SER 108 Cb 0.53 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 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 -4.21 3.69 -4.75 4.04 5.75 -1.26 -4.72 116.55 115.07 2dbj n ASP 109 Ca 0.12 1.15 -0.41 0.00 -0.01 0.00 0.00 54.79 55.63 2dbj n ASP 109 Cb 0.43 -1.57 -0.03 0.00 -1.03 0.00 0.00 41.12 38.93 2dbj n ASP 109 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2dbj s PRO 110 N -0.52 4.43 -0.22 0.11 0.04 -1.26 -4.81 135.00 132.77 2dbj s PRO 110 Ca 0.64 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.76 2dbj s PRO 110 Cb -0.52 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 30.91 2dbj s PRO 110 CO 0.49 -0.12 -0.15 0.54 0.04 0.00 0.00 177.00 177.80 2dbj s VAL 111 N -0.62 2.06 -0.50 -0.36 0.11 -1.07 -4.96 120.40 115.06 2dbj s VAL 111 Ca 0.51 -1.24 -0.22 0.00 -2.93 0.00 0.00 61.98 58.10 2dbj s VAL 111 Cb -0.37 -2.02 0.04 0.00 -1.53 0.00 0.00 36.38 32.51 2dbj s VAL 111 CO 0.44 0.25 0.75 -0.75 -3.33 0.00 0.00 175.10 172.46 2dbj s LYS 112 N 1.22 3.26 -0.16 1.54 2.20 -1.26 -1.92 119.74 124.62 2dbj s LYS 112 Ca -0.02 -0.48 -0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2dbj s LYS 112 Cb -0.16 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 2dbj s LYS 112 CO -0.09 -1.24 0.02 -1.50 -0.36 0.00 0.00 175.35 172.18 2dbj s ILE 113 N 3.16 4.46 -0.35 5.43 2.07 -0.11 -4.95 121.20 130.91 2dbj s ILE 113 Ca 0.23 -0.16 -0.26 0.00 -1.41 0.00 0.00 60.65 59.05 2dbj s ILE 113 Cb -0.15 -2.98 0.01 0.00 0.13 0.00 0.00 42.46 39.47 2dbj s ILE 113 CO 0.17 0.49 0.95 0.12 -1.91 0.00 0.00 174.94 174.76 2dbj s PHE 114 N 0.23 3.11 -0.43 3.50 2.19 -1.26 -2.32 117.98 123.00 2dbj s PHE 114 Ca 0.02 0.91 -0.28 0.00 0.33 0.00 0.00 56.93 57.90 2dbj s PHE 114 Cb -0.13 -3.61 0.02 0.00 -1.31 0.00 0.00 43.02 38.00 2dbj s PHE 114 CO 0.01 -0.78 1.06 0.42 1.83 0.00 0.00 175.22 177.77 2dbj s ILE 115 N 3.47 4.36 0.03 3.12 -1.09 -0.68 -5.00 121.20 125.41 2dbj s ILE 115 Ca 0.40 1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 59.74 2dbj s ILE 115 Cb -0.12 -4.50 -0.06 0.00 -1.58 0.00 0.00 42.46 36.19 2dbj s ILE 115 CO 0.17 -0.82 1.43 -2.16 -1.23 0.00 0.00 174.94 172.33 2dbj s PRO 116 N 4.05 4.28 0.18 2.79 0.04 -1.26 -0.42 135.00 144.65 2dbj s PRO 116 Ca 0.44 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.29 2dbj s PRO 116 Cb -0.09 -3.52 0.08 0.00 0.04 0.00 0.00 34.50 31.01 2dbj s PRO 116 CO 0.26 -0.57 1.42 0.00 0.04 0.00 0.00 177.00 178.15 2dbj n ALA 117 N 5.16 -0.34 -2.58 8.56 0.00 -1.26 -4.47 120.51 125.57 2dbj n ALA 117 Ca 0.13 0.85 -0.27 0.00 0.00 0.00 0.00 53.44 54.15 2dbj n ALA 117 Cb 0.43 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 2dbj n ALA 117 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dbj s HIS 118 N -5.67 1.84 0.00 0.00 3.76 -1.26 -4.78 115.29 109.18 2dbj s HIS 118 Ca -0.12 -1.17 -0.01 0.00 -0.15 0.00 0.00 55.06 53.62 2dbj s HIS 118 Cb 0.15 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 2dbj s HIS 118 CO 0.62 -0.13 0.01 -1.12 -0.85 0.00 0.00 174.74 173.27 2dbj s SER 119 N -3.67 0.08 0.13 1.40 0.01 -1.26 -5.14 113.70 105.24 2dbj s SER 119 Ca 0.20 -0.17 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 2dbj s SER 119 Cb 0.03 0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.40 2dbj s SER 119 CO 0.12 -0.14 0.96 -0.83 0.41 0.00 0.00 173.24 173.76 2dbj s GLY 120 N -0.61 -0.27 -0.73 3.44 0.00 -1.26 -4.99 107.32 102.90 2dbj s GLY 120 Ca -0.07 0.26 -0.26 0.00 0.00 0.00 0.00 44.72 44.66 2dbj s GLY 120 CO -0.00 0.05 1.90 2.56 0.00 0.00 0.00 173.10 177.61 2dbj s PRO 121 N -3.24 2.59 -0.75 2.90 0.04 -1.26 -4.89 135.00 130.39 2dbj s PRO 121 Ca 0.11 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.14 2dbj s PRO 121 Cb -0.01 -4.67 -0.15 0.00 0.04 0.00 0.00 34.50 29.71 2dbj s PRO 121 CO 0.01 -3.01 2.40 0.43 0.04 0.00 0.00 177.00 176.87 2dbj n SER 122 N 13.30 1.58 -3.82 6.66 7.64 -1.26 -2.65 113.62 135.07 2dbj n SER 122 Ca 0.29 -1.12 -0.23 0.00 1.01 0.00 0.00 58.87 58.81 2dbj n SER 122 Cb 0.50 -1.52 0.01 0.00 -1.01 0.00 0.00 64.21 62.19 2dbj n SER 122 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dbj n SER 123 N 16.63 -0.77 0.00 6.43 7.64 -1.26 -5.35 113.62 136.93 2dbj n SER 123 Ca 0.47 -0.91 0.01 0.00 1.01 0.00 0.00 58.87 59.46 2dbj n SER 123 Cb 0.42 -3.59 0.08 0.00 -1.01 0.00 0.00 64.21 60.11 2dbj n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64