#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p84 n ILE 4 N 0.00 0.00 -1.75 -0.08 5.41 -1.26 -4.85 119.36 116.83 2p84 n ILE 4 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 2p84 n ILE 4 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 38.99 2p84 n ILE 4 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2p84 s PRO 5 N 0.00 2.60 0.27 0.38 0.02 -1.26 -4.97 135.00 132.04 2p84 s PRO 5 Ca 0.00 1.82 -0.14 0.00 0.02 0.00 0.00 61.00 62.70 2p84 s PRO 5 Cb 0.00 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.56 2p84 s PRO 5 CO 0.00 -1.50 0.67 0.15 -0.33 0.00 0.00 177.00 175.99 2p84 s LYS 6 N -3.58 3.99 0.14 5.54 1.02 -1.26 -4.92 119.74 120.66 2p84 s LYS 6 Ca 0.77 0.58 0.09 0.00 0.02 0.00 0.00 55.97 57.43 2p84 s LYS 6 Cb -0.31 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 2p84 s LYS 6 CO 0.39 0.26 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.81 2p84 s PHE 7 N -1.82 1.94 0.04 3.18 0.08 -1.26 -0.35 117.98 119.78 2p84 s PHE 7 Ca 0.49 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 2p84 s PHE 7 Cb -0.12 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2p84 s PHE 7 CO 0.19 0.30 -0.03 -0.98 -0.10 0.00 0.00 175.22 174.60 2p84 s ARG 8 N -2.29 0.48 -0.01 0.44 1.70 -0.66 -1.23 118.95 117.39 2p84 s ARG 8 Ca 0.12 -0.96 0.04 0.00 -0.47 0.00 0.00 55.73 54.46 2p84 s ARG 8 Cb -0.08 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.45 2p84 s ARG 8 CO 0.06 -0.08 -0.13 -2.00 -1.08 0.00 0.00 175.30 172.07 2p84 s GLU 9 N -2.87 1.01 -0.12 3.89 2.12 0.17 -0.72 118.70 122.19 2p84 s GLU 9 Ca -0.03 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 2p84 s GLU 9 Cb 0.00 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.39 2p84 s GLU 9 CO -0.06 0.27 -0.07 0.12 -0.54 0.00 0.00 175.26 174.97 2p84 s PHE 10 N -0.34 2.94 -0.18 5.30 5.36 -0.62 -0.12 117.98 130.31 2p84 s PHE 10 Ca 0.05 -0.27 -0.00 0.00 -0.96 0.00 0.00 56.93 55.74 2p84 s PHE 10 Cb -0.05 -1.84 0.04 0.00 -0.34 0.00 0.00 43.02 40.83 2p84 s PHE 10 CO -0.00 0.05 -0.07 0.34 -1.46 0.00 0.00 175.22 174.08 2p84 s ASP 11 N -0.05 3.07 0.43 6.13 -1.08 -0.41 -4.14 116.67 120.63 2p84 s ASP 11 Ca -0.00 -0.77 0.18 0.00 -0.52 0.00 0.00 52.55 51.44 2p84 s ASP 11 Cb -0.13 -1.02 0.99 0.00 -1.46 0.00 0.00 42.92 41.30 2p84 s ASP 11 CO 0.03 -0.18 1.93 -0.09 0.52 0.00 0.00 175.17 177.38 2p84 h ARG 12 N 8.07 0.00 -0.06 4.34 9.65 -1.99 -1.44 114.38 132.94 2p84 h ARG 12 Ca -0.25 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.45 2p84 h ARG 12 Cb 1.10 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2p84 h ARG 12 CO 0.42 0.25 -0.69 0.93 2.80 0.00 0.00 179.97 183.69 2p84 h GLU 13 N 0.00 0.58 -0.92 0.20 4.39 -1.95 -1.84 114.58 115.04 2p84 h GLU 13 Ca -0.00 -0.54 0.10 0.00 0.34 0.00 0.00 59.36 59.26 2p84 h GLU 13 Cb 0.51 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 2p84 h GLU 13 CO 0.03 1.16 0.56 0.00 -1.16 0.00 0.00 179.01 179.60 2p84 h ARG 14 N 0.18 0.90 -0.62 2.33 3.08 -1.82 -1.91 114.38 116.52 2p84 h ARG 14 Ca -0.07 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2p84 h ARG 14 Cb 1.35 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 2p84 h ARG 14 CO 0.14 0.59 0.24 1.25 -1.07 0.00 0.00 179.97 181.12 2p84 h HIS 15 N 0.92 0.95 -0.31 3.04 2.76 -1.07 -2.84 115.15 118.60 2p84 h HIS 15 Ca 0.44 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.57 2p84 h HIS 15 Cb 0.38 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 2p84 h HIS 15 CO -0.03 0.76 0.09 0.00 -1.30 0.00 0.00 177.93 177.45 2p84 h ARG 16 N 0.87 0.21 -6.50 5.26 3.08 -0.86 -3.43 114.38 113.02 2p84 h ARG 16 Ca 0.21 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.71 2p84 h ARG 16 Cb 0.22 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.24 2p84 h ARG 16 CO -0.02 0.14 0.89 0.99 -1.07 0.00 0.00 179.97 180.90 2p84 s THR 17 N -6.17 3.09 0.06 2.04 2.01 -0.76 -4.96 115.64 110.96 2p84 s THR 17 Ca -0.13 0.67 -0.26 0.00 0.31 0.00 0.00 61.69 62.27 2p84 s THR 17 Cb 0.11 -3.43 -0.17 0.00 0.01 0.00 0.00 72.50 69.03 2p84 s THR 17 CO 0.70 0.02 1.60 0.44 -0.69 0.00 0.00 174.62 176.70 2p84 h ASP 18 N 7.55 -0.26 0.96 3.53 3.32 -1.83 -3.07 116.42 126.62 2p84 h ASP 18 Ca -0.42 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2p84 h ASP 18 Cb 1.20 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2p84 h ASP 18 CO 0.91 -0.11 0.00 0.10 -1.72 0.00 0.00 179.24 178.41 2p84 h TYR 19 N -0.39 0.00 -2.91 4.55 -0.00 -1.93 -3.45 116.97 112.84 2p84 h TYR 19 Ca -0.03 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 58.17 2p84 h TYR 19 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.01 2p84 h TYR 19 CO -0.04 0.00 -0.29 -0.65 -0.00 0.00 0.00 178.16 177.18 2p84 s GLN 20 N -3.45 3.54 -0.21 0.10 -0.21 -1.16 -5.09 119.66 113.18 2p84 s GLN 20 Ca 0.03 -0.27 -0.09 0.00 0.02 0.00 0.00 55.36 55.06 2p84 s GLN 20 Cb 0.09 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2p84 s GLN 20 CO 0.48 0.35 0.11 0.15 -2.12 0.00 0.00 175.29 174.26 2p84 s LYS 21 N -3.40 4.00 0.25 2.91 1.02 -1.26 -4.67 119.74 118.58 2p84 s LYS 21 Ca 0.40 -0.32 -0.05 0.00 0.02 0.00 0.00 55.97 56.01 2p84 s LYS 21 Cb -0.11 -3.37 0.27 0.00 -0.52 0.00 0.00 37.83 34.09 2p84 s LYS 21 CO 0.29 0.14 1.86 0.78 -0.92 0.00 0.00 175.35 177.50 2p84 h GLY 22 N 7.19 1.25 -6.58 -3.33 0.00 -1.82 -3.42 103.07 96.37 2p84 h GLY 22 Ca -0.38 -0.59 -0.61 0.00 0.00 0.00 0.00 47.33 45.76 2p84 h GLY 22 CO 0.68 0.56 -0.41 -0.29 0.00 0.00 0.00 176.54 177.08 2p84 s MET 23 N -5.72 4.15 -0.17 4.80 -2.45 -1.26 -1.28 119.30 117.36 2p84 s MET 23 Ca -0.12 -0.10 0.00 0.00 -1.25 0.00 0.00 55.69 54.22 2p84 s MET 23 Cb 0.17 -3.50 0.01 0.00 1.25 0.00 0.00 34.83 32.76 2p84 s MET 23 CO 0.82 0.12 -0.17 0.45 1.05 0.00 0.00 175.02 177.29 2p84 s SER 24 N 0.82 3.45 -0.19 1.11 0.15 0.82 -4.96 113.70 114.90 2p84 s SER 24 Ca 0.12 -0.56 -0.25 0.00 0.70 0.00 0.00 55.95 55.96 2p84 s SER 24 Cb -0.13 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 2p84 s SER 24 CO 0.04 0.03 0.82 -0.31 1.20 0.00 0.00 173.24 175.02 2p84 s TYR 25 N 1.12 3.38 0.68 3.44 2.02 -1.26 -0.65 117.35 126.08 2p84 s TYR 25 Ca 0.01 1.21 -0.16 0.00 -0.37 0.00 0.00 57.07 57.76 2p84 s TYR 25 Cb -0.14 -3.02 0.01 0.00 -0.40 0.00 0.00 41.96 38.41 2p84 s TYR 25 CO -0.06 -0.29 1.17 0.00 -1.57 0.00 0.00 175.55 174.80 2p84 s ALA 26 N 2.36 2.31 -0.15 3.71 0.00 -0.37 -4.89 121.76 124.74 2p84 s ALA 26 Ca 0.37 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 2p84 s ALA 26 Cb -0.16 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2p84 s ALA 26 CO 0.11 -1.53 -0.03 -2.00 0.00 0.00 0.00 175.76 172.30 2p84 s GLU 27 N -3.88 3.64 -0.12 0.00 2.12 -0.70 -4.89 118.70 114.87 2p84 s GLU 27 Ca 0.72 -0.50 -0.11 0.00 0.36 0.00 0.00 54.97 55.44 2p84 s GLU 27 Cb -0.26 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 2p84 s GLU 27 CO 0.42 0.28 0.25 -1.14 -0.54 0.00 0.00 175.26 174.52 2p84 s GLN 28 N 0.26 3.94 -0.17 4.30 0.74 -1.26 -1.11 119.66 126.36 2p84 s GLN 28 Ca -0.02 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.43 2p84 s GLN 28 Cb -0.14 -3.31 0.03 0.00 1.10 0.00 0.00 33.01 30.69 2p84 s GLN 28 CO 0.03 0.50 -0.13 -1.14 -0.55 0.00 0.00 175.29 173.99 2p84 s GLN 29 N -0.30 2.26 0.14 1.67 0.74 0.02 -4.96 119.66 119.24 2p84 s GLN 29 Ca 0.16 -0.67 -0.24 0.00 0.05 0.00 0.00 55.36 54.67 2p84 s GLN 29 Cb -0.13 -2.24 -0.08 0.00 1.10 0.00 0.00 33.01 31.67 2p84 s GLN 29 CO 0.05 -0.30 0.72 -0.51 -0.55 0.00 0.00 175.29 174.70 2p84 s ASP 30 N 1.44 7.30 0.14 6.67 1.01 -1.26 -1.12 116.67 130.85 2p84 s ASP 30 Ca 0.03 1.54 0.02 0.00 0.71 0.00 0.00 52.55 54.85 2p84 s ASP 30 Cb -0.14 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2p84 s ASP 30 CO -0.10 0.23 0.14 2.22 0.21 0.00 0.00 175.17 177.86 2p84 n PHE 31 N 1.61 -0.45 0.34 4.23 1.16 -0.39 -4.99 117.46 118.98 2p84 n PHE 31 Ca -0.07 -1.14 0.14 0.00 -1.87 0.00 0.00 57.45 54.52 2p84 n PHE 31 Cb 0.49 0.15 0.48 0.00 -1.61 0.00 0.00 39.48 38.99 2p84 n PHE 31 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 2p84 h ASP 32 N 0.85 0.00 -0.02 5.98 3.32 -2.04 -2.91 116.42 121.61 2p84 h ASP 32 Ca -0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2p84 h ASP 32 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2p84 h ASP 32 CO 0.15 0.00 -0.17 0.23 -1.72 0.00 0.00 179.24 177.73 2p84 n MET 33 N -2.80 1.45 0.00 3.56 2.81 -1.26 -5.10 117.12 115.78 2p84 n MET 33 Ca 0.02 -2.85 0.00 0.00 -1.81 0.00 0.00 57.70 53.07 2p84 n MET 33 Cb 0.36 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2p84 n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2p84 n GLY 34 N -1.29 0.21 3.25 3.03 0.00 -1.10 -5.12 105.19 104.17 2p84 n GLY 34 Ca 0.18 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 2p84 n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2p84 s PHE 35 N -4.00 -0.07 -0.07 1.61 -0.12 -1.26 -1.26 117.98 112.80 2p84 s PHE 35 Ca 0.00 -0.14 0.04 0.00 -0.05 0.00 0.00 56.93 56.77 2p84 s PHE 35 Cb 0.00 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 2p84 s PHE 35 CO 0.00 -0.54 -0.19 0.99 -0.05 0.00 0.00 175.22 175.43 2p84 s THR 36 N -2.97 1.63 -0.38 -4.49 2.01 -0.27 -4.96 115.64 106.20 2p84 s THR 36 Ca -0.02 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 2p84 s THR 36 Cb 0.01 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.10 2p84 s THR 36 CO -0.06 0.46 0.29 -0.63 -0.69 0.00 0.00 174.62 173.99 2p84 s ILE 37 N 0.34 5.26 -0.25 1.82 -1.09 -1.26 -0.80 121.20 125.22 2p84 s ILE 37 Ca -0.13 -0.45 -0.09 0.00 -2.23 0.00 0.00 60.65 57.75 2p84 s ILE 37 Cb -0.16 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 2p84 s ILE 37 CO 0.05 -0.19 0.13 0.26 -1.23 0.00 0.00 174.94 173.96 2p84 s TRP 38 N 1.73 3.21 0.46 3.97 0.52 -0.26 -4.94 118.94 123.62 2p84 s TRP 38 Ca 0.06 -0.02 0.06 0.00 0.02 0.00 0.00 56.10 56.22 2p84 s TRP 38 Cb -0.18 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 2p84 s TRP 38 CO 0.10 -0.12 0.22 -0.06 0.02 0.00 0.00 176.95 177.12 2p84 s PHE 39 N 1.33 2.29 0.80 -1.98 0.08 -1.26 -1.72 117.98 117.52 2p84 s PHE 39 Ca 0.06 -0.69 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 2p84 s PHE 39 Cb -0.15 -1.92 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2p84 s PHE 39 CO 0.06 0.02 0.65 -0.25 -0.10 0.00 0.00 175.22 175.60 2p84 n ASP 40 N -1.38 -0.90 -4.75 1.36 8.00 -1.26 -4.90 116.55 112.71 2p84 n ASP 40 Ca -0.03 0.52 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 2p84 n ASP 40 Cb 0.65 -1.28 -0.01 0.00 -0.02 0.00 0.00 41.12 40.46 2p84 n ASP 40 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2p84 n HIS 41 N -2.89 2.84 -1.93 1.24 -0.00 -1.26 -4.94 115.22 108.27 2p84 n HIS 41 Ca 0.10 0.42 -0.37 0.00 0.46 0.00 0.00 57.72 58.34 2p84 n HIS 41 Cb 0.51 -2.53 0.04 0.00 -0.12 0.00 0.00 29.99 27.89 2p84 n HIS 41 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 2p84 s ILE 42 N -0.86 2.43 0.00 3.57 2.07 -1.26 -4.97 121.20 122.18 2p84 s ILE 42 Ca 0.56 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 60.09 2p84 s ILE 42 Cb -0.50 -3.12 0.00 0.00 0.13 0.00 0.00 42.46 38.97 2p84 s ILE 42 CO 0.60 -0.04 0.00 -0.62 -1.91 0.00 0.00 174.94 172.97 2p84 n GLU 43 N -1.43 2.59 -2.65 3.50 -0.58 -1.26 -4.91 120.64 115.90 2p84 n GLU 43 Ca 0.13 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.44 2p84 n GLU 43 Cb 0.48 -0.70 -0.00 0.00 -0.57 0.00 0.00 31.44 30.64 2p84 n GLU 43 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2p84 s ASP 44 N -1.32 6.84 0.51 1.62 -1.08 -1.26 -4.83 116.67 117.16 2p84 s ASP 44 Ca 0.00 -2.44 0.30 0.00 -0.52 0.00 0.00 52.55 49.89 2p84 s ASP 44 Cb 0.00 -2.55 0.98 0.00 -1.46 0.00 0.00 42.92 39.90 2p84 s ASP 44 CO 0.00 -1.13 1.84 -0.07 0.52 0.00 0.00 175.17 176.33 2p84 h LEU 45 N 12.07 0.00 -1.75 -1.34 3.38 -1.99 -1.56 115.31 124.13 2p84 h LEU 45 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2p84 h LEU 45 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2p84 h LEU 45 CO 1.41 0.00 0.04 0.44 0.09 0.00 0.00 178.44 180.43 2p84 h ASP 46 N 0.00 0.00 1.13 -0.43 5.19 -2.03 -2.19 116.42 118.09 2p84 h ASP 46 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2p84 h ASP 46 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2p84 h ASP 46 CO 0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 2p84 n LEU 47 N -2.44 0.77 -4.56 1.55 4.77 -0.59 -4.72 117.00 111.78 2p84 n LEU 47 Ca -0.02 0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 2p84 n LEU 47 Cb 0.09 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2p84 n LEU 47 CO 0.12 -0.37 0.47 -0.63 -1.33 0.00 0.00 177.39 175.65 2p84 s ILE 48 N -3.21 4.79 0.69 -0.08 1.01 -0.82 -1.64 121.20 121.94 2p84 s ILE 48 Ca 0.07 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 2p84 s ILE 48 Cb 0.11 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2p84 s ILE 48 CO 0.50 -0.47 1.08 -1.61 0.00 0.00 0.00 174.94 174.44 2p84 s GLU 49 N 2.95 2.84 0.22 2.79 2.02 -0.08 -4.99 118.70 124.46 2p84 s GLU 49 Ca 0.27 0.39 -0.08 0.00 0.02 0.00 0.00 54.97 55.58 2p84 s GLU 49 Cb -0.14 -2.05 0.29 0.00 0.10 0.00 0.00 34.13 32.33 2p84 s GLU 49 CO 0.18 -1.01 1.81 0.87 0.02 0.00 0.00 175.26 177.13 2p84 h LYS 50 N -0.60 0.70 0.00 1.61 1.57 -1.97 -2.47 116.57 115.41 2p84 h LYS 50 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2p84 h LYS 50 Cb 1.26 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2p84 h LYS 50 CO 0.63 0.47 0.00 -0.40 -0.57 0.00 0.00 179.45 179.58 2p84 n ASP 51 N -4.77 0.00 0.00 0.86 5.75 -1.26 -4.85 116.55 112.28 2p84 n ASP 51 Ca 0.10 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 2p84 n ASP 51 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2p84 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2p84 n GLY 52 N 0.05 2.82 3.77 6.12 0.00 -0.93 -5.04 105.19 111.97 2p84 n GLY 52 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2p84 n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p84 s THR 53 N -2.40 2.82 -0.16 2.61 -4.23 -1.26 -4.78 115.64 108.25 2p84 s THR 53 Ca 0.00 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2p84 s THR 53 Cb 0.00 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.36 2p84 s THR 53 CO 0.00 0.17 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.48 2p84 s ILE 54 N -1.19 1.61 -0.47 2.99 1.01 -1.26 -0.90 121.20 122.99 2p84 s ILE 54 Ca 0.50 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 2p84 s ILE 54 Cb -0.38 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2p84 s ILE 54 CO 0.50 0.42 2.89 0.59 0.00 0.00 0.00 174.94 179.34 2p84 n ASN 55 N 4.75 6.43 -4.77 3.58 3.02 -0.65 -4.95 115.26 122.68 2p84 n ASN 55 Ca -0.17 -3.07 -0.39 0.00 -0.03 0.00 0.00 54.58 50.92 2p84 n ASN 55 Cb 0.49 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 2p84 n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p84 s ARG 56 N -1.15 3.85 -0.61 3.52 1.70 -1.26 -4.96 118.95 120.04 2p84 s ARG 56 Ca 0.60 2.19 -0.28 0.00 -0.47 0.00 0.00 55.73 57.77 2p84 s ARG 56 Cb 0.35 -2.68 0.03 0.00 -0.57 0.00 0.00 34.95 32.08 2p84 s ARG 56 CO -0.17 -0.61 1.23 0.42 -1.08 0.00 0.00 175.30 175.09 2p84 s ILE 57 N -1.27 3.94 -0.03 4.99 1.01 -1.26 -5.00 121.20 123.59 2p84 s ILE 57 Ca 0.59 0.80 0.08 0.00 0.00 0.00 0.00 60.65 62.12 2p84 s ILE 57 Cb -0.39 -4.74 -0.02 0.00 0.01 0.00 0.00 42.46 37.33 2p84 s ILE 57 CO 0.49 -1.42 -0.26 -0.69 0.00 0.00 0.00 174.94 173.07 2p84 s VAL 58 N 5.19 2.07 -0.00 2.92 1.01 -1.26 -1.59 120.40 128.74 2p84 s VAL 58 Ca 0.42 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2p84 s VAL 58 Cb -0.08 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2p84 s VAL 58 CO 0.24 0.58 -0.18 -0.04 0.00 0.00 0.00 175.10 175.69 2p84 s MET 59 N -0.53 1.41 -0.01 2.72 -1.94 0.10 -4.99 119.30 116.06 2p84 s MET 59 Ca 0.08 -0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 53.36 2p84 s MET 59 Cb -0.11 -1.39 -0.04 0.00 2.01 0.00 0.00 34.83 35.30 2p84 s MET 59 CO -0.00 0.38 0.09 1.41 -0.01 0.00 0.00 175.02 176.89 2p84 s MET 60 N -0.56 3.13 0.42 2.03 1.75 -1.26 -1.65 119.30 123.16 2p84 s MET 60 Ca 0.07 -0.44 -0.26 0.00 -1.25 0.00 0.00 55.69 53.80 2p84 s MET 60 Cb -0.07 -2.90 -0.09 0.00 2.84 0.00 0.00 34.83 34.60 2p84 s MET 60 CO -0.00 0.66 1.45 0.45 -0.65 0.00 0.00 175.02 176.93 2p84 s SER 61 N -1.71 6.05 0.13 1.11 0.15 0.52 -1.39 113.70 118.56 2p84 s SER 61 Ca 0.23 2.98 0.23 0.00 0.70 0.00 0.00 55.95 60.09 2p84 s SER 61 Cb -0.12 -2.66 0.91 0.00 -1.71 0.00 0.00 66.02 62.44 2p84 s SER 61 CO 0.14 -1.06 1.72 0.35 1.20 0.00 0.00 173.24 175.58 2p84 n THR 62 N 0.05 0.62 -1.02 6.45 -2.24 -0.15 -4.73 114.28 113.28 2p84 n THR 62 Ca 0.03 0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.86 2p84 n THR 62 Cb 0.41 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2p84 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p84 n GLY 63 N 0.68 0.45 3.38 3.38 0.00 -1.26 -5.03 105.19 106.78 2p84 n GLY 63 Ca 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2p84 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p84 s LEU 64 N -0.12 2.30 -0.01 0.99 1.43 -1.26 -5.03 118.68 116.97 2p84 s LEU 64 Ca 0.00 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 2p84 s LEU 64 Cb 0.00 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2p84 s LEU 64 CO 0.00 0.24 0.19 -0.54 0.23 0.00 0.00 176.35 176.47 2p84 s LYS 65 N -1.46 3.46 0.16 1.70 -0.14 -1.26 -0.95 119.74 121.24 2p84 s LYS 65 Ca 0.13 -0.28 -0.01 0.00 -1.36 0.00 0.00 55.97 54.45 2p84 s LYS 65 Cb -0.10 -3.10 0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2p84 s LYS 65 CO 0.04 0.68 0.22 -0.40 -0.76 0.00 0.00 175.35 175.12 2p84 n ASP 66 N 1.02 0.15 0.13 2.83 5.75 0.33 -3.08 116.55 123.68 2p84 n ASP 66 Ca -0.11 -1.16 0.11 0.00 -0.01 0.00 0.00 54.79 53.62 2p84 n ASP 66 Cb 0.53 -0.16 0.50 0.00 -1.03 0.00 0.00 41.12 40.96 2p84 n ASP 66 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2p84 n LYS 67 N -1.44 0.17 -0.47 0.11 2.85 -0.09 -1.14 118.16 118.15 2p84 n LYS 67 Ca 0.03 0.47 0.08 0.00 -1.05 0.00 0.00 58.31 57.84 2p84 n LYS 67 Cb 0.11 -1.88 0.27 0.00 -0.65 0.00 0.00 35.03 32.89 2p84 n LYS 67 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2p84 n ASN 68 N -2.21 4.07 -2.63 -5.58 3.02 -1.26 -4.96 115.26 105.71 2p84 n ASN 68 Ca 0.01 -2.67 -0.19 0.00 -0.03 0.00 0.00 54.58 51.70 2p84 n ASN 68 Cb 0.18 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 2p84 n ASN 68 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2p84 n VAL 69 N 0.18 -1.12 -3.22 2.41 3.14 -0.30 -4.98 118.33 114.45 2p84 n VAL 69 Ca 0.21 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.20 2p84 n VAL 69 Cb 0.82 -2.68 -0.06 0.00 -1.06 0.00 0.00 33.84 30.86 2p84 n VAL 69 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2p84 s LYS 70 N -5.27 4.30 0.18 1.45 2.20 -1.26 -4.80 119.74 116.55 2p84 s LYS 70 Ca 0.10 0.73 -0.32 0.00 -0.36 0.00 0.00 55.97 56.13 2p84 s LYS 70 Cb -0.05 -3.33 -0.11 0.00 -1.51 0.00 0.00 37.83 32.84 2p84 s LYS 70 CO 0.12 0.40 1.61 -2.00 -0.36 0.00 0.00 175.35 175.12 2p84 s GLU 71 N -0.31 4.19 -0.11 4.03 2.56 -1.26 -0.52 118.70 127.29 2p84 s GLU 71 Ca 0.31 2.43 -0.21 0.00 0.00 0.00 0.00 54.97 57.49 2p84 s GLU 71 Cb -0.18 -3.13 -0.04 0.00 2.00 0.00 0.00 34.13 32.78 2p84 s GLU 71 CO 0.17 -0.64 0.62 0.42 -0.56 0.00 0.00 175.26 175.27 2p84 s ILE 72 N 1.10 5.09 0.19 -3.70 1.01 -0.13 -4.88 121.20 119.87 2p84 s ILE 72 Ca 0.71 1.24 0.09 0.00 0.00 0.00 0.00 60.65 62.69 2p84 s ILE 72 Cb -0.45 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2p84 s ILE 72 CO 0.32 0.25 -0.12 -0.31 0.00 0.00 0.00 174.94 175.08 2p84 s TYR 73 N 0.97 2.58 -0.20 3.97 2.02 -1.26 -0.97 117.35 124.46 2p84 s TYR 73 Ca 0.32 -0.24 -0.42 0.00 -0.37 0.00 0.00 57.07 56.35 2p84 s TYR 73 Cb -0.16 -1.26 -0.19 0.00 -0.40 0.00 0.00 41.96 39.94 2p84 s TYR 73 CO 0.14 0.52 1.34 -1.91 -1.57 0.00 0.00 175.55 174.06 2p84 n GLU 74 N 0.04 0.17 -1.00 -0.62 2.13 -0.49 -1.78 120.64 119.09 2p84 n GLU 74 Ca -0.11 0.06 -0.00 0.00 0.66 0.00 0.00 57.16 57.77 2p84 n GLU 74 Cb 0.56 -1.59 -0.00 0.00 0.27 0.00 0.00 31.44 30.68 2p84 n GLU 74 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2p84 n SER 75 N 2.79 -3.03 -4.77 4.31 7.64 0.24 -4.75 113.62 116.04 2p84 n SER 75 Ca 0.24 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.75 2p84 n SER 75 Cb 0.04 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2p84 n SER 75 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2p84 s ASP 76 N -2.10 5.97 -0.18 6.43 1.01 -0.74 -1.85 116.67 125.21 2p84 s ASP 76 Ca 0.00 2.44 -0.13 0.00 0.71 0.00 0.00 52.55 55.57 2p84 s ASP 76 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2p84 s ASP 76 CO 0.00 -1.06 0.27 -0.63 0.21 0.00 0.00 175.17 173.95 2p84 s ILE 77 N -1.46 5.31 0.07 0.77 1.01 0.01 -0.91 121.20 126.00 2p84 s ILE 77 Ca 0.65 0.47 0.05 0.00 0.00 0.00 0.00 60.65 61.82 2p84 s ILE 77 Cb -0.32 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2p84 s ILE 77 CO 0.39 0.37 -0.13 0.68 0.00 0.00 0.00 174.94 176.24 2p84 s VAL 78 N 0.65 1.06 -0.03 2.92 -7.23 -0.80 0.07 120.40 117.05 2p84 s VAL 78 Ca 0.14 -1.30 0.07 0.00 -1.81 0.00 0.00 61.98 59.09 2p84 s VAL 78 Cb -0.13 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 2p84 s VAL 78 CO 0.03 -0.25 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.73 2p84 s ARG 79 N -1.76 2.20 0.72 4.82 3.52 0.13 -1.13 118.95 127.44 2p84 s ARG 79 Ca -0.02 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.70 2p84 s ARG 79 Cb -0.10 -2.10 0.14 0.00 -1.56 0.00 0.00 34.95 31.33 2p84 s ARG 79 CO 0.02 0.56 0.99 0.54 -0.81 0.00 0.00 175.30 176.59 2p84 s ASN 80 N -0.59 4.35 0.30 -2.12 2.20 -0.46 -0.47 114.94 118.15 2p84 s ASN 80 Ca 0.09 -0.56 0.25 0.00 -0.94 0.00 0.00 52.86 51.70 2p84 s ASN 80 Cb -0.10 0.24 1.07 0.00 -2.00 0.00 0.00 41.25 40.45 2p84 s ASN 80 CO -0.00 -1.87 1.74 -0.07 -2.94 0.00 0.00 177.10 173.95 2p84 h LEU 81 N -0.46 0.00 -1.85 3.54 3.38 -1.89 -2.26 115.31 115.77 2p84 h LEU 81 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2p84 h LEU 81 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2p84 h LEU 81 CO 0.38 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.69 2p84 n TYR 82 N -2.33 0.33 -0.62 1.13 4.01 -1.26 -4.94 117.16 113.47 2p84 n TYR 82 Ca 0.01 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2p84 n TYR 82 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 2p84 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2p84 n GLY 83 N 1.36 0.76 3.77 2.72 0.00 -0.85 -5.05 105.19 107.90 2p84 n GLY 83 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2p84 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p84 s GLU 84 N -0.38 4.56 0.01 1.61 2.02 -1.26 -4.82 118.70 120.44 2p84 s GLU 84 Ca 0.00 1.16 -0.00 0.00 0.02 0.00 0.00 54.97 56.14 2p84 s GLU 84 Cb 0.00 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2p84 s GLU 84 CO 0.00 0.48 0.10 -0.51 0.02 0.00 0.00 175.26 175.35 2p84 s LEU 85 N -0.80 3.96 0.07 1.80 1.02 -1.26 -1.36 118.68 122.11 2p84 s LEU 85 Ca 0.37 0.16 -0.05 0.00 0.02 0.00 0.00 54.13 54.63 2p84 s LEU 85 Cb -0.22 -2.37 -0.02 0.00 0.02 0.00 0.00 46.19 43.60 2p84 s LEU 85 CO 0.26 0.26 0.07 -0.31 0.02 0.00 0.00 176.35 176.64 2p84 s TYR 86 N -1.25 0.34 -0.10 0.29 2.02 -0.29 -4.51 117.35 113.86 2p84 s TYR 86 Ca 0.25 -0.83 -0.03 0.00 -0.37 0.00 0.00 57.07 56.09 2p84 s TYR 86 Cb -0.12 -0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 2p84 s TYR 86 CO 0.16 -0.45 0.01 0.08 -1.57 0.00 0.00 175.55 173.78 2p84 s VAL 87 N -3.83 4.38 -0.17 0.71 1.01 -0.42 -1.90 120.40 120.19 2p84 s VAL 87 Ca 0.05 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 2p84 s VAL 87 Cb 0.06 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2p84 s VAL 87 CO -0.10 0.58 0.94 -0.69 0.00 0.00 0.00 175.10 175.83 2p84 s VAL 88 N -0.67 4.80 0.05 2.92 1.01 -0.09 -0.61 120.40 127.81 2p84 s VAL 88 Ca 0.11 1.85 0.06 0.00 0.00 0.00 0.00 61.98 64.00 2p84 s VAL 88 Cb -0.12 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 2p84 s VAL 88 CO 0.02 -0.03 -0.16 -1.61 0.00 0.00 0.00 175.10 173.32 2p84 s GLU 89 N 2.38 1.02 -0.22 2.72 2.02 0.10 -0.59 118.70 126.13 2p84 s GLU 89 Ca 0.43 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 54.36 2p84 s GLU 89 Cb -0.17 -1.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 2p84 s GLU 89 CO 0.12 0.26 0.59 -0.46 0.02 0.00 0.00 175.26 175.80 2p84 s TRP 90 N -0.94 3.34 -0.23 1.61 -0.11 -1.26 -0.58 118.94 120.78 2p84 s TRP 90 Ca 0.03 0.84 -0.03 0.00 1.22 0.00 0.00 56.10 58.16 2p84 s TRP 90 Cb -0.09 -2.77 0.12 0.00 -1.50 0.00 0.00 33.47 29.23 2p84 s TRP 90 CO 0.02 -0.20 0.32 -1.17 -4.62 0.00 0.00 176.95 171.30 2p84 s LEU 91 N 2.01 -0.44 -1.26 5.86 2.96 0.14 -4.98 118.68 122.99 2p84 s LEU 91 Ca 0.26 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.12 2p84 s LEU 91 Cb -0.16 0.84 -0.00 0.00 0.50 0.00 0.00 46.19 47.37 2p84 s LEU 91 CO 0.10 -0.31 0.64 0.47 -1.32 0.00 0.00 176.35 175.93 2p84 n ASP 92 N 5.35 -3.02 0.00 3.68 8.00 -1.26 -2.25 116.55 127.05 2p84 n ASP 92 Ca -0.04 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2p84 n ASP 92 Cb 0.50 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.33 2p84 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p84 n GLY 93 N -1.80 0.75 3.29 0.44 0.00 -1.26 -5.03 105.19 101.58 2p84 n GLY 93 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2p84 n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2p84 s SER 94 N -2.50 -0.16 0.21 1.61 0.15 -0.95 -5.14 113.70 106.92 2p84 s SER 94 Ca 0.00 -0.37 -0.19 0.00 0.70 0.00 0.00 55.95 56.09 2p84 s SER 94 Cb 0.00 0.44 -0.08 0.00 -1.71 0.00 0.00 66.02 64.67 2p84 s SER 94 CO 0.00 -0.81 0.71 -0.36 1.20 0.00 0.00 173.24 173.98 2p84 s PHE 95 N -3.71 3.65 0.07 3.44 0.08 -1.26 -0.68 117.98 119.58 2p84 s PHE 95 Ca 0.03 1.37 -0.02 0.00 0.12 0.00 0.00 56.93 58.43 2p84 s PHE 95 Cb 0.02 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 2p84 s PHE 95 CO -0.11 0.35 0.02 0.14 -0.10 0.00 0.00 175.22 175.52 2p84 s VAL 96 N -1.51 0.18 -0.22 -0.44 -7.23 0.26 -2.27 120.40 109.18 2p84 s VAL 96 Ca 0.42 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.77 2p84 s VAL 96 Cb -0.17 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2p84 s VAL 96 CO 0.21 -0.83 0.05 -0.76 -0.31 0.00 0.00 175.10 173.46 2p84 s LEU 97 N -2.94 3.49 -0.23 1.32 1.43 0.14 -0.72 118.68 121.17 2p84 s LEU 97 Ca 0.11 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2p84 s LEU 97 Cb 0.07 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2p84 s LEU 97 CO -0.07 0.04 0.05 -0.89 0.23 0.00 0.00 176.35 175.71 2p84 s THR 98 N 1.15 4.28 0.32 5.49 2.01 0.22 -0.93 115.64 128.17 2p84 s THR 98 Ca 0.04 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 2p84 s THR 98 Cb -0.14 -2.97 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 2p84 s THR 98 CO 0.03 0.38 1.19 -1.61 -0.69 0.00 0.00 174.62 173.92 2p84 s GLU 99 N 1.26 4.44 0.00 4.92 2.02 -0.22 -1.30 118.70 129.82 2p84 s GLU 99 Ca 0.04 1.98 0.00 0.00 0.02 0.00 0.00 54.97 57.01 2p84 s GLU 99 Cb -0.15 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.02 2p84 s GLU 99 CO 0.03 -0.03 0.23 1.97 0.02 0.00 0.00 175.26 177.48 2p84 n PHE 100 N 0.86 0.00 -0.11 1.61 -1.74 -1.25 -3.90 117.46 112.94 2p84 n PHE 100 Ca 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.78 2p84 n PHE 100 Cb 0.44 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.40 2p84 n PHE 100 CO 0.00 0.00 0.00 1.88 -0.56 0.00 0.00 176.76 178.08 2p84 h TYR 101 N 0.00 0.67 0.00 2.97 -1.99 -1.92 -3.44 116.97 113.25 2p84 h TYR 101 Ca 0.00 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.59 2p84 h TYR 101 Cb 0.22 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.78 2p84 h TYR 101 CO 0.00 0.78 0.00 0.09 -0.00 0.00 0.00 178.16 179.03 2p84 n ASN 102 N -4.47 0.00 -4.47 3.88 5.03 -1.26 -4.99 115.26 108.98 2p84 n ASN 102 Ca -0.03 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.09 2p84 n ASN 102 Cb 0.32 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.19 2p84 n ASN 102 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2p84 n GLY 103 N 0.00 -1.62 0.33 7.41 0.00 -1.26 -4.96 105.19 105.09 2p84 n GLY 103 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.40 2p84 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p84 n GLY 104 N 1.36 1.77 3.77 -0.02 0.00 -1.25 -3.89 105.19 106.93 2p84 n GLY 104 Ca 0.08 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2p84 n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p84 s TYR 105 N -0.92 2.85 -0.01 1.61 4.12 -1.26 -4.71 117.35 119.03 2p84 s TYR 105 Ca 0.10 1.55 0.05 0.00 0.02 0.00 0.00 57.07 58.79 2p84 s TYR 105 Cb 0.09 -3.32 -0.03 0.00 -1.52 0.00 0.00 41.96 37.17 2p84 s TYR 105 CO 0.01 -1.44 -0.17 -0.51 0.02 0.00 0.00 175.55 173.46 2p84 s ASP 106 N -1.52 3.86 -0.08 2.29 1.01 -1.26 -1.05 116.67 119.93 2p84 s ASP 106 Ca 0.66 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.62 2p84 s ASP 106 Cb -0.26 -0.71 0.02 0.00 1.01 0.00 0.00 42.92 42.98 2p84 s ASP 106 CO 0.31 0.30 -0.10 -1.00 0.21 0.00 0.00 175.17 174.90 2p84 s HIS 107 N -0.81 1.38 0.14 4.23 3.76 -0.11 -4.92 115.29 118.96 2p84 s HIS 107 Ca 0.13 -0.55 -0.35 0.00 -0.15 0.00 0.00 55.06 54.15 2p84 s HIS 107 Cb -0.11 -1.06 -0.15 0.00 1.11 0.00 0.00 32.58 32.37 2p84 s HIS 107 CO 0.03 -0.33 1.43 2.48 -0.85 0.00 0.00 174.74 177.49 2p84 n TYR 108 N 4.14 1.87 -1.73 1.40 0.18 -1.26 0.25 117.16 122.01 2p84 n TYR 108 Ca -0.20 0.47 -0.42 0.00 1.88 0.00 0.00 57.90 59.62 2p84 n TYR 108 Cb 0.51 -2.43 -0.01 0.00 -0.38 0.00 0.00 39.34 37.04 2p84 n TYR 108 CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 2p84 n ILE 109 N 2.71 1.56 -4.00 -3.48 3.06 -0.96 -4.77 119.36 113.49 2p84 n ILE 109 Ca 0.17 -0.39 -0.33 0.00 -2.50 0.00 0.00 62.75 59.69 2p84 n ILE 109 Cb 0.25 -1.77 -0.14 0.00 0.54 0.00 0.00 39.64 38.52 2p84 n ILE 109 CO 0.00 0.00 0.00 -0.51 -2.50 0.00 0.00 176.55 173.54 2p84 s ILE 110 N -0.63 2.55 -1.83 9.51 1.10 -1.26 -4.94 121.20 125.70 2p84 s ILE 110 Ca 0.59 -1.50 0.00 0.00 -0.51 0.00 0.00 60.65 59.23 2p84 s ILE 110 Cb -0.54 -2.47 0.00 0.00 0.15 0.00 0.00 42.46 39.60 2p84 s ILE 110 CO 0.57 -0.05 0.11 -0.67 -2.11 0.00 0.00 174.94 172.79 2p84 n ASP 111 N 4.52 0.02 -1.05 4.50 -0.08 -1.26 -0.85 116.55 122.35 2p84 n ASP 111 Ca -0.14 -0.25 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 2p84 n ASP 111 Cb 0.43 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.88 2p84 n ASP 111 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2p84 n SER 112 N -0.34 0.00 0.23 1.67 2.88 -1.26 -4.27 113.62 112.54 2p84 n SER 112 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2p84 n SER 112 Cb 0.01 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.10 2p84 n SER 112 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2p84 h SER 113 N 1.11 0.02 0.10 -3.46 4.64 -1.25 0.44 113.55 115.15 2p84 h SER 113 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p84 h SER 113 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2p84 h SER 113 CO 0.00 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 2p84 n THR 114 N -4.53 0.04 -0.57 2.95 -2.24 -1.18 -1.39 114.28 107.37 2p84 n THR 114 Ca -0.02 0.01 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 2p84 n THR 114 Cb 0.12 -0.60 0.35 0.00 -2.10 0.00 0.00 70.33 68.11 2p84 n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p84 n GLU 115 N -1.06 4.00 -4.35 -0.78 4.71 0.15 -3.72 120.64 119.59 2p84 n GLU 115 Ca 0.18 -2.77 -0.22 0.00 -0.01 0.00 0.00 57.16 54.34 2p84 n GLU 115 Cb 0.11 -2.01 -0.11 0.00 -1.01 0.00 0.00 31.44 28.43 2p84 n GLU 115 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2p84 s TYR 116 N -2.17 1.87 -0.07 -0.32 2.02 -0.49 -3.26 117.35 114.95 2p84 s TYR 116 Ca 0.49 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2p84 s TYR 116 Cb 0.34 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 2p84 s TYR 116 CO 0.20 0.38 -0.13 -2.00 -1.57 0.00 0.00 175.55 172.42 2p84 s GLU 117 N -3.01 1.78 -0.12 -0.62 2.12 0.38 -0.91 118.70 118.32 2p84 s GLU 117 Ca 0.19 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 2p84 s GLU 117 Cb -0.05 -1.46 -0.01 0.00 0.26 0.00 0.00 34.13 32.87 2p84 s GLU 117 CO 0.08 0.05 1.09 0.08 -0.54 0.00 0.00 175.26 176.01 2p84 s VAL 118 N 0.61 4.57 -0.04 3.70 1.01 -1.26 -0.70 120.40 128.29 2p84 s VAL 118 Ca -0.14 1.87 0.20 0.00 0.00 0.00 0.00 61.98 63.91 2p84 s VAL 118 Cb -0.16 -4.20 -0.32 0.00 0.00 0.00 0.00 36.38 31.71 2p84 s VAL 118 CO 0.04 -0.04 0.45 0.18 0.00 0.00 0.00 175.10 175.73 2p84 n LEU 119 N 5.44 0.02 0.00 3.92 4.77 0.11 -4.97 117.00 126.28 2p84 n LEU 119 Ca 0.10 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2p84 n LEU 119 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2p84 n LEU 119 CO 0.53 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2p84 n GLY 120 N 1.35 -0.50 3.39 -0.72 0.00 -1.19 -5.01 105.19 102.51 2p84 n GLY 120 Ca -0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 2p84 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p84 s ASN 121 N -4.00 0.04 0.46 1.61 2.20 -1.26 -0.81 114.94 113.17 2p84 s ASN 121 Ca 0.00 -1.11 0.25 0.00 -0.94 0.00 0.00 52.86 51.07 2p84 s ASN 121 Cb 0.00 0.47 0.99 0.00 -2.00 0.00 0.00 41.25 40.71 2p84 s ASN 121 CO 0.00 -0.97 1.85 0.16 -2.94 0.00 0.00 177.10 175.20 2p84 h ILE 122 N 2.46 0.47 0.12 0.54 3.07 -1.65 0.11 117.51 122.62 2p84 h ILE 122 Ca -0.31 -1.02 -0.26 0.00 1.55 0.00 0.00 64.86 64.82 2p84 h ILE 122 Cb 1.24 1.72 -0.00 0.00 -0.27 0.00 0.00 36.82 39.51 2p84 h ILE 122 CO 0.45 0.18 -1.34 1.88 -1.05 0.00 0.00 178.15 178.27 2p84 h TYR 123 N 0.00 0.44 0.00 0.16 0.05 -1.97 -3.33 116.97 112.32 2p84 h TYR 123 Ca -0.00 -0.32 -0.20 0.00 0.05 0.00 0.00 58.73 58.26 2p84 h TYR 123 Cb 0.70 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 2p84 h TYR 123 CO 0.00 1.52 -1.38 0.93 -1.05 0.00 0.00 178.16 178.19 2p84 h GLU 124 N -0.33 0.00 -1.32 4.88 5.08 -1.97 -3.41 114.58 117.51 2p84 h GLU 124 Ca -0.29 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.63 2p84 h GLU 124 Cb 1.74 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.58 2p84 h GLU 124 CO 0.06 0.40 -1.06 0.09 -1.00 0.00 0.00 179.01 177.50 2p84 n ASN 125 N -2.99 2.26 0.32 1.42 3.02 0.37 -4.91 115.26 114.75 2p84 n ASN 125 Ca -0.10 -3.03 0.20 0.00 -0.03 0.00 0.00 54.58 51.62 2p84 n ASN 125 Cb 0.89 -0.53 1.08 0.00 -0.61 0.00 0.00 39.78 40.61 2p84 n ASN 125 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2p84 h PRO 126 N 2.90 0.00 -0.50 3.52 0.13 -1.68 -1.48 132.00 134.90 2p84 h PRO 126 Ca 0.03 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.27 2p84 h PRO 126 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2p84 h PRO 126 CO 0.60 0.01 0.34 1.05 -0.23 0.00 0.00 178.00 179.77 2p84 h GLU 127 N 0.00 0.19 0.00 0.86 9.09 -1.91 -0.85 114.58 121.96 2p84 h GLU 127 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2p84 h GLU 127 Cb 0.08 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 2p84 h GLU 127 CO 0.00 0.13 0.00 -0.07 0.05 0.00 0.00 179.01 179.12 2p84 h LEU 128 N 0.19 0.00 -0.63 3.06 3.38 -1.43 -2.25 115.31 117.64 2p84 h LEU 128 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2p84 h LEU 128 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2p84 h LEU 128 CO -0.04 0.00 -0.26 0.18 0.09 0.00 0.00 178.44 178.41 2p84 n LEU 129 N -2.73 1.23 -4.73 1.67 4.77 -0.32 -4.86 117.00 112.02 2p84 n LEU 129 Ca -0.01 -0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.20 2p84 n LEU 129 Cb 0.13 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2p84 n LEU 129 CO 0.18 0.23 0.63 -1.61 -1.33 0.00 0.00 177.39 175.49 2p84 s GLU 130 N -2.44 4.67 0.35 3.23 2.02 -0.86 -4.94 118.70 120.72 2p84 s GLU 130 Ca 0.25 1.38 0.06 0.00 0.02 0.00 0.00 54.97 56.68 2p84 s GLU 130 Cb 0.19 -3.37 0.72 0.00 0.10 0.00 0.00 34.13 31.77 2p84 s GLU 130 CO 0.51 0.24 1.93 -0.44 0.02 0.00 0.00 175.26 177.52 2p84 h ASP 131 N 5.52 0.70 -0.68 -0.19 5.19 -1.90 -1.67 116.42 123.38 2p84 h ASP 131 Ca -0.43 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2p84 h ASP 131 Cb 1.21 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2p84 h ASP 131 CO 0.71 0.44 0.00 0.47 -3.12 0.00 0.00 179.24 177.74 2p84 n ASP 132 N -4.50 4.34 0.00 6.45 8.00 -1.26 -4.97 116.55 124.62 2p84 n ASP 132 Ca 0.13 -2.23 0.00 0.00 0.71 0.00 0.00 54.79 53.40 2p84 n ASP 132 Cb 0.27 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 2p84 n ASP 132 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2p84 n ASN 133 N 1.36 0.00 0.00 -2.24 5.03 -0.63 -5.05 115.26 113.73 2p84 n ASN 133 Ca 0.25 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.70 2p84 n ASN 133 Cb 0.75 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.51 2p84 n ASN 133 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2p84 n HIS 134 N 0.00 0.00 0.00 3.10 1.44 -1.14 -4.18 115.22 114.44 2p84 n HIS 134 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2p84 n HIS 134 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2p84 n HIS 134 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53