#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p8i s THR 2 N 0.00 -0.11 0.28 2.61 2.01 -1.26 -5.25 115.64 113.92 2p8i s THR 2 Ca 0.00 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 2p8i s THR 2 Cb 0.00 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 72.12 2p8i s THR 2 CO 0.00 0.04 1.44 -0.36 -0.69 0.00 0.00 174.62 175.05 2p8i s PHE 3 N 2.17 2.94 0.12 4.92 0.40 -1.26 -5.03 117.98 122.25 2p8i s PHE 3 Ca 0.04 1.07 0.07 0.00 -0.60 0.00 0.00 56.93 57.51 2p8i s PHE 3 Cb -0.13 -3.85 -0.04 0.00 0.51 0.00 0.00 43.02 39.50 2p8i s PHE 3 CO -0.05 -2.70 -0.08 1.03 0.70 0.00 0.00 175.22 174.12 2p8i s ARG 4 N -0.80 2.18 0.34 0.44 0.52 -1.26 -5.14 118.95 115.24 2p8i s ARG 4 Ca 0.57 -1.06 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 2p8i s ARG 4 Cb -0.43 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 2p8i s ARG 4 CO 0.47 0.49 0.64 0.34 0.02 0.00 0.00 175.30 177.26 2p8i s ASP 5 N -2.42 6.44 0.22 0.23 2.15 -1.26 -4.99 116.67 117.05 2p8i s ASP 5 Ca 0.23 0.84 0.20 0.00 0.43 0.00 0.00 52.55 54.25 2p8i s ASP 5 Cb -0.11 -2.20 0.91 0.00 -0.30 0.00 0.00 42.92 41.22 2p8i s ASP 5 CO 0.15 -0.29 1.62 0.35 -0.17 0.00 0.00 175.17 176.83 2p8i n THR 6 N -1.20 0.97 0.29 1.71 -2.24 -1.26 -1.62 114.28 110.93 2p8i n THR 6 Ca -0.01 0.36 0.19 0.00 -2.27 0.00 0.00 64.05 62.32 2p8i n THR 6 Cb 0.54 -1.28 0.97 0.00 -2.10 0.00 0.00 70.33 68.46 2p8i n THR 6 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2p8i h SER 7 N 0.00 0.00 0.47 3.42 4.64 -2.05 -0.99 113.55 119.04 2p8i h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p8i h SER 7 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2p8i h SER 7 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2p8i h ALA 8 N 1.76 1.00 -2.23 5.18 0.00 -1.71 -3.42 119.26 119.84 2p8i h ALA 8 Ca 0.03 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.29 2p8i h ALA 8 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 2p8i h ALA 8 CO -0.00 0.00 0.14 0.42 0.00 0.00 0.00 179.25 179.81 2p8i s ILE 9 N -3.62 4.84 0.09 0.00 1.01 -0.38 -4.38 121.20 118.76 2p8i s ILE 9 Ca -0.00 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 2p8i s ILE 9 Cb 0.09 -4.16 -0.12 0.00 0.01 0.00 0.00 42.46 38.28 2p8i s ILE 9 CO 0.38 -0.50 1.35 0.00 0.00 0.00 0.00 174.94 176.17 2p8i h ALA 10 N 8.74 0.35 -2.51 9.38 0.00 -1.19 -3.46 119.26 130.57 2p8i h ALA 10 Ca -0.26 -0.47 0.13 0.00 0.00 0.00 0.00 54.91 54.31 2p8i h ALA 10 Cb 1.10 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 2p8i h ALA 10 CO 0.87 0.49 0.42 -1.54 0.00 0.00 0.00 179.25 179.49 2p8i s SER 11 N -6.71 -0.26 0.12 0.00 1.04 -1.22 -4.73 113.70 101.93 2p8i s SER 11 Ca -0.12 -0.34 0.09 0.00 0.48 0.00 0.00 55.95 56.06 2p8i s SER 11 Cb 0.08 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2p8i s SER 11 CO 0.85 -0.94 -0.16 0.26 0.98 0.00 0.00 173.24 174.23 2p8i s TRP 12 N -3.41 2.58 -0.05 5.02 0.52 0.17 -0.26 118.94 123.51 2p8i s TRP 12 Ca 0.10 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.00 2p8i s TRP 12 Cb -0.02 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.95 2p8i s TRP 12 CO -0.00 0.40 -0.12 -1.01 0.02 0.00 0.00 176.95 176.25 2p8i s HIS 13 N -1.20 1.32 0.11 -1.98 3.76 -0.39 -1.62 115.29 115.28 2p8i s HIS 13 Ca 0.19 -0.43 0.10 0.00 -0.15 0.00 0.00 55.06 54.76 2p8i s HIS 13 Cb -0.11 -0.96 -0.04 0.00 1.11 0.00 0.00 32.58 32.59 2p8i s HIS 13 CO 0.11 -0.21 -0.22 0.00 -0.85 0.00 0.00 174.74 173.57 2p8i s ALA 14 N 0.50 2.53 -0.18 -1.40 0.00 0.73 -1.38 121.76 122.56 2p8i s ALA 14 Ca -0.10 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 2p8i s ALA 14 Cb -0.14 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.49 2p8i s ALA 14 CO 0.03 0.57 0.01 -1.01 0.00 0.00 0.00 175.76 175.35 2p8i s HIS 15 N -1.07 1.17 -0.22 0.00 3.76 0.92 -0.29 115.29 119.58 2p8i s HIS 15 Ca 0.16 -0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 53.91 2p8i s HIS 15 Cb -0.10 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.51 2p8i s HIS 15 CO 0.07 -0.59 1.10 0.08 -0.85 0.00 0.00 174.74 174.56 2p8i s VAL 16 N 1.81 4.56 0.07 -0.90 1.01 -0.07 -0.92 120.40 125.95 2p8i s VAL 16 Ca -0.00 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 63.72 2p8i s VAL 16 Cb -0.16 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 2p8i s VAL 16 CO -0.07 -0.18 0.46 -0.31 0.00 0.00 0.00 175.10 174.99 2p8i s TYR 17 N 3.31 3.67 0.34 5.22 1.51 -0.27 -2.00 117.35 129.13 2p8i s TYR 17 Ca 0.47 0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 57.35 2p8i s TYR 17 Cb -0.17 -2.30 0.04 0.00 -0.11 0.00 0.00 41.96 39.42 2p8i s TYR 17 CO 0.09 0.55 0.74 -0.59 -1.11 0.00 0.00 175.55 175.23 2p8i s PHE 18 N -1.27 0.04 0.05 2.71 -0.71 -0.41 -4.11 117.98 114.28 2p8i s PHE 18 Ca 0.30 -0.61 -0.00 0.00 -1.04 0.00 0.00 56.93 55.59 2p8i s PHE 18 Cb -0.16 0.73 0.00 0.00 -1.21 0.00 0.00 43.02 42.38 2p8i s PHE 18 CO 0.17 -1.40 0.07 -0.40 -1.34 0.00 0.00 175.22 172.31 2p8i n ASP 19 N -1.00 -0.19 -0.31 1.98 5.68 -1.26 -2.06 116.55 119.40 2p8i n ASP 19 Ca -0.06 -1.28 0.06 0.00 -0.50 0.00 0.00 54.79 53.01 2p8i n ASP 19 Cb 0.60 0.35 0.21 0.00 -1.14 0.00 0.00 41.12 41.14 2p8i n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2p8i h ALA 20 N 1.48 1.31 0.00 2.12 0.00 -2.01 -1.47 119.26 120.69 2p8i h ALA 20 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2p8i h ALA 20 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2p8i h ALA 20 CO 0.05 0.06 -0.11 0.77 0.00 0.00 0.00 179.25 180.02 2p8i h SER 21 N 0.78 0.00 0.00 0.00 0.02 -2.05 -3.22 113.55 109.08 2p8i h SER 21 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2p8i h SER 21 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2p8i h SER 21 CO -0.30 0.11 -0.04 -1.54 -1.14 0.00 0.00 176.83 173.93 2p8i n SER 22 N -3.51 2.10 -0.16 3.07 3.41 -0.62 -4.81 113.62 113.10 2p8i n SER 22 Ca -0.01 -2.87 -0.03 0.00 -0.26 0.00 0.00 58.87 55.69 2p8i n SER 22 Cb 0.26 -0.37 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 2p8i n SER 22 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2p8i h ARG 23 N 0.00 0.29 -0.48 4.33 2.43 -1.40 -1.98 114.38 117.58 2p8i h ARG 23 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2p8i h ARG 23 Cb 0.99 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2p8i h ARG 23 CO 0.00 0.19 0.21 -0.44 -1.51 0.00 0.00 179.97 178.43 2p8i h ASP 24 N 0.30 0.64 -0.65 -3.80 3.32 -1.88 -0.14 116.42 114.21 2p8i h ASP 24 Ca 0.24 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2p8i h ASP 24 Cb 0.28 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2p8i h ASP 24 CO -0.27 0.61 0.26 0.00 -1.72 0.00 0.00 179.24 178.11 2p8i h ALA 25 N 1.06 0.84 -0.76 3.45 0.00 -1.88 0.25 119.26 122.22 2p8i h ALA 25 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2p8i h ALA 25 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2p8i h ALA 25 CO -0.02 0.46 0.35 0.00 0.00 0.00 0.00 179.25 180.04 2p8i h ALA 26 N 1.11 0.98 -0.18 0.00 0.00 -1.08 -1.03 119.26 119.05 2p8i h ALA 26 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2p8i h ALA 26 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2p8i h ALA 26 CO -0.02 0.56 -0.01 2.35 0.00 0.00 0.00 179.25 182.13 2p8i h TRP 27 N 1.07 0.36 -0.61 0.00 2.91 -0.80 -1.69 115.95 117.19 2p8i h TRP 27 Ca 0.26 -0.07 0.06 0.00 1.13 0.00 0.00 58.89 60.27 2p8i h TRP 27 Cb 0.14 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 28.64 2p8i h TRP 27 CO 0.01 0.55 0.31 1.15 -1.03 0.00 0.00 178.44 179.44 2p8i h THR 28 N 0.07 0.93 -0.57 2.65 2.02 -0.82 -0.47 112.91 116.72 2p8i h THR 28 Ca 0.05 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.04 2p8i h THR 28 Cb 0.41 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 2p8i h THR 28 CO 0.01 0.11 0.36 0.25 0.37 0.00 0.00 175.52 176.62 2p8i h LEU 29 N 0.58 0.62 -0.36 2.58 5.85 -1.11 -1.12 115.31 122.35 2p8i h LEU 29 Ca 0.28 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2p8i h LEU 29 Cb 0.21 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2p8i h LEU 29 CO -0.20 0.44 0.21 -0.09 -0.34 0.00 0.00 178.44 178.46 2p8i h ARG 30 N 0.74 0.50 -0.81 1.25 2.43 -0.62 0.15 114.38 118.02 2p8i h ARG 30 Ca 0.21 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2p8i h ARG 30 Cb -0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 2p8i h ARG 30 CO -0.06 0.39 0.47 0.93 -1.51 0.00 0.00 179.97 180.19 2p8i h GLU 31 N 0.47 1.11 -0.49 0.20 4.39 -0.98 -0.93 114.58 118.35 2p8i h GLU 31 Ca 0.13 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 2p8i h GLU 31 Cb 0.03 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 2p8i h GLU 31 CO -0.02 0.79 -0.10 1.96 -1.16 0.00 0.00 179.01 180.48 2p8i h GLN 32 N 1.12 0.89 -0.21 2.33 1.08 -0.74 -1.45 115.11 118.13 2p8i h GLN 32 Ca 0.29 -0.31 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2p8i h GLN 32 Cb -0.02 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2p8i h GLN 32 CO -0.05 0.95 0.12 0.82 -0.95 0.00 0.00 178.83 179.72 2p8i h ILE 33 N 0.80 1.03 -0.83 2.54 2.04 -0.57 0.24 117.51 122.76 2p8i h ILE 33 Ca 0.13 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2p8i h ILE 33 Cb 0.62 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 2p8i h ILE 33 CO 0.04 0.05 0.52 -0.08 0.00 0.00 0.00 178.15 178.68 2p8i h GLU 34 N 0.25 0.95 0.02 2.37 4.57 -0.94 -2.44 114.58 119.37 2p8i h GLU 34 Ca 0.08 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.03 2p8i h GLU 34 Cb -0.01 -0.21 0.02 0.00 -0.16 0.00 0.00 28.75 28.38 2p8i h GLU 34 CO -0.03 0.63 -0.70 0.00 -1.18 0.00 0.00 179.01 177.72 2p8i h ALA 35 N 1.37 0.05 -0.29 2.92 0.00 -1.06 0.01 119.26 122.27 2p8i h ALA 35 Ca 0.35 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 2p8i h ALA 35 Cb 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2p8i h ALA 35 CO -0.15 0.40 -0.27 1.25 0.00 0.00 0.00 179.25 180.49 2p8i h HIS 36 N -0.07 0.67 -0.67 0.00 -0.00 -0.42 -2.09 115.15 112.56 2p8i h HIS 36 Ca -0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 2p8i h HIS 36 Cb 1.42 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 2p8i h HIS 36 CO 0.15 0.80 0.00 0.91 -0.00 0.00 0.00 177.93 179.79 2p8i n TRP 37 N -4.10 0.88 -3.85 5.26 8.01 -0.93 -4.98 117.44 117.73 2p8i n TRP 37 Ca -0.00 -0.45 -0.30 0.00 -1.31 0.00 0.00 57.50 55.44 2p8i n TRP 37 Cb 0.43 -0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.76 2p8i n TRP 37 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2p8i n SER 38 N 1.63 -4.85 -0.15 -0.99 7.64 -0.32 -1.31 113.62 115.26 2p8i n SER 38 Ca 0.24 -0.74 -0.02 0.00 1.01 0.00 0.00 58.87 59.36 2p8i n SER 38 Cb 0.62 -3.88 -0.01 0.00 -1.01 0.00 0.00 64.21 59.94 2p8i n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2p8i n GLY 39 N -1.66 0.49 0.05 0.23 0.00 -0.16 -4.90 105.19 99.25 2p8i n GLY 39 Ca 0.04 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2p8i n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p8i n LYS 40 N -1.95 0.19 -2.86 1.61 5.02 -0.43 -4.83 118.16 114.91 2p8i n LYS 40 Ca -0.02 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.11 2p8i n LYS 40 Cb 0.19 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2p8i n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2p8i s LEU 41 N -3.89 3.66 -0.34 -0.35 1.43 -1.26 -5.04 118.68 112.88 2p8i s LEU 41 Ca 0.09 0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 53.63 2p8i s LEU 41 Cb 0.15 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 2p8i s LEU 41 CO 0.66 -0.62 0.60 -1.10 0.23 0.00 0.00 176.35 176.13 2p8i s GLN 42 N -4.64 3.71 -0.17 1.70 -1.52 -1.04 -4.96 119.66 112.74 2p8i s GLN 42 Ca 0.47 0.05 -0.03 0.00 -1.95 0.00 0.00 55.36 53.91 2p8i s GLN 42 Cb -0.10 -3.79 -0.02 0.00 -0.22 0.00 0.00 33.01 28.88 2p8i s GLN 42 CO 0.41 -0.68 -0.07 -0.51 -0.25 0.00 0.00 175.29 174.20 2p8i s LEU 43 N 2.61 2.95 0.00 2.90 1.43 -1.26 -0.74 118.68 126.57 2p8i s LEU 43 Ca 0.23 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2p8i s LEU 43 Cb -0.15 -1.71 0.12 0.00 0.03 0.00 0.00 46.19 44.47 2p8i s LEU 43 CO 0.14 0.10 0.73 0.61 0.23 0.00 0.00 176.35 178.16 2p8i n GLY 44 N 3.99 -0.24 3.76 -3.19 0.00 -0.22 -5.01 105.19 104.27 2p8i n GLY 44 Ca -0.18 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 2p8i n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p8i s ARG 45 N -4.45 3.29 -0.86 1.61 0.52 -1.26 -4.59 118.95 113.21 2p8i s ARG 45 Ca 0.45 2.00 -0.25 0.00 -0.52 0.00 0.00 55.73 57.41 2p8i s ARG 45 Cb -0.02 -2.23 0.04 0.00 0.52 0.00 0.00 34.95 33.26 2p8i s ARG 45 CO 0.31 -1.00 1.35 0.12 0.02 0.00 0.00 175.30 176.10 2p8i s PHE 46 N -1.44 2.39 -0.38 -0.53 5.36 -1.26 -4.40 117.98 117.71 2p8i s PHE 46 Ca 0.70 -0.39 -0.21 0.00 -0.96 0.00 0.00 56.93 56.08 2p8i s PHE 46 Cb -0.34 -4.66 0.01 0.00 -0.34 0.00 0.00 43.02 37.69 2p8i s PHE 46 CO 0.40 -2.02 0.65 -1.01 -1.46 0.00 0.00 175.22 171.78 2p8i s HIS 47 N 5.41 3.12 -0.47 10.12 3.76 -0.41 -4.93 115.29 131.89 2p8i s HIS 47 Ca 0.40 0.24 -0.02 0.00 -0.15 0.00 0.00 55.06 55.53 2p8i s HIS 47 Cb -0.05 -3.22 0.23 0.00 1.11 0.00 0.00 32.58 30.66 2p8i s HIS 47 CO 0.04 -0.70 2.22 0.39 -0.85 0.00 0.00 174.74 175.84 2p8i n GLU 48 N 6.13 2.21 -3.61 1.40 1.02 -1.26 -1.71 120.64 124.82 2p8i n GLU 48 Ca -0.01 -2.27 -0.10 0.00 -0.02 0.00 0.00 57.16 54.75 2p8i n GLU 48 Cb 0.48 -1.94 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2p8i n GLU 48 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2p8i s ARG 49 N -2.38 1.34 0.09 3.49 1.70 -1.26 -4.97 118.95 116.97 2p8i s ARG 49 Ca 0.47 -0.70 -0.31 0.00 -0.47 0.00 0.00 55.73 54.72 2p8i s ARG 49 Cb 0.35 0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 35.20 2p8i s ARG 49 CO -0.10 -0.58 1.46 -2.14 -1.08 0.00 0.00 175.30 172.87 2p8i s PRO 50 N -3.82 4.28 0.08 3.89 0.02 -1.26 -4.30 135.00 133.89 2p8i s PRO 50 Ca 0.05 2.13 0.07 0.00 0.02 0.00 0.00 61.00 63.27 2p8i s PRO 50 Cb -0.01 -3.36 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 2p8i s PRO 50 CO -0.07 -0.54 -0.17 0.14 -0.33 0.00 0.00 177.00 176.03 2p8i s VAL 51 N 1.62 1.39 0.00 3.83 -7.23 -1.23 -4.99 120.40 113.79 2p8i s VAL 51 Ca 0.67 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 2p8i s VAL 51 Cb -0.37 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2p8i s VAL 51 CO 0.30 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2p8i n GLY 52 N 1.23 3.01 0.08 2.32 0.00 -1.26 -1.19 105.19 109.38 2p8i n GLY 52 Ca -0.20 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.58 2p8i n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p8i n PRO 53 N 14.00 1.11 -3.32 1.61 -0.04 -1.26 -4.73 135.00 142.36 2p8i n PRO 53 Ca 0.00 -0.17 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 2p8i n PRO 53 Cb 0.00 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 2p8i n PRO 53 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2p8i s HIS 54 N -1.97 3.34 -0.71 0.54 3.76 -0.33 0.23 115.29 120.15 2p8i s HIS 54 Ca 0.27 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 2p8i s HIS 54 Cb 0.13 -2.60 0.00 0.00 1.11 0.00 0.00 32.58 31.21 2p8i s HIS 54 CO 0.21 -0.11 0.58 -0.35 -0.85 0.00 0.00 174.74 174.23 2p8i n PRO 55 N 4.84 0.90 -3.08 8.40 -0.04 -1.26 -3.56 135.00 141.20 2p8i n PRO 55 Ca -0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 2p8i n PRO 55 Cb 0.51 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2p8i n PRO 55 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2p8i s TRP 57 N -0.68 3.38 0.24 0.54 0.51 -0.87 -4.77 118.94 117.29 2p8i s TRP 57 Ca 0.00 1.23 -0.22 0.00 -2.12 0.00 0.00 56.10 55.00 2p8i s TRP 57 Cb 0.00 -2.55 0.04 0.00 -0.81 0.00 0.00 33.47 30.14 2p8i s TRP 57 CO 0.00 0.05 0.68 -1.54 -0.51 0.00 0.00 176.95 175.63 2p8i s SER 58 N -2.37 -0.36 -0.01 2.95 1.04 -0.69 -1.29 113.70 112.97 2p8i s SER 58 Ca 0.55 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 2p8i s SER 58 Cb -0.10 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.71 2p8i s SER 58 CO 0.19 -1.23 0.17 -0.72 0.98 0.00 0.00 173.24 172.63 2p8i s TYR 59 N -3.86 -0.02 0.07 5.02 -0.85 -0.84 -1.29 117.35 115.56 2p8i s TYR 59 Ca 0.08 0.01 0.01 0.00 -0.52 0.00 0.00 57.07 56.65 2p8i s TYR 59 Cb -0.04 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.25 2p8i s TYR 59 CO 0.01 -0.28 0.16 -1.14 -1.52 0.00 0.00 175.55 172.78 2p8i s GLN 60 N -1.20 3.25 -0.02 -3.49 0.74 -1.26 -0.89 119.66 116.78 2p8i s GLN 60 Ca -0.13 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 54.78 2p8i s GLN 60 Cb -0.06 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.11 2p8i s GLN 60 CO 0.02 0.60 -0.08 -1.17 -0.55 0.00 0.00 175.29 174.11 2p8i s LEU 61 N -2.46 1.83 0.03 3.68 2.96 0.61 -1.06 118.68 124.27 2p8i s LEU 61 Ca 0.33 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2p8i s LEU 61 Cb -0.13 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 2p8i s LEU 61 CO 0.26 0.06 -0.15 0.00 -1.32 0.00 0.00 176.35 175.20 2p8i s ALA 62 N 0.12 1.27 0.23 5.97 0.00 0.08 -0.20 121.76 129.24 2p8i s ALA 62 Ca -0.01 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2p8i s ALA 62 Cb -0.07 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2p8i s ALA 62 CO 0.00 0.26 0.79 -0.59 0.00 0.00 0.00 175.76 176.22 2p8i s PHE 63 N -0.79 -0.19 0.50 0.00 -0.71 -0.64 -2.49 117.98 113.66 2p8i s PHE 63 Ca 0.03 -0.20 0.00 0.00 -1.04 0.00 0.00 56.93 55.72 2p8i s PHE 63 Cb -0.08 0.68 0.01 0.00 -1.21 0.00 0.00 43.02 42.42 2p8i s PHE 63 CO 0.01 -1.08 0.73 0.95 -1.34 0.00 0.00 175.22 174.49 2p8i s THR 64 N -3.71 3.39 0.48 -4.49 -4.23 -1.26 -0.65 115.64 105.17 2p8i s THR 64 Ca 0.11 -0.54 0.12 0.00 -1.18 0.00 0.00 61.69 60.20 2p8i s THR 64 Cb -0.04 -3.27 0.27 0.00 1.34 0.00 0.00 72.50 70.80 2p8i s THR 64 CO 0.04 -0.19 2.11 -0.61 -0.54 0.00 0.00 174.62 175.43 2p8i h GLN 65 N 0.22 0.21 0.00 3.99 5.75 -1.89 -1.23 115.11 122.16 2p8i h GLN 65 Ca -0.44 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2p8i h GLN 65 Cb 1.27 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.78 2p8i h GLN 65 CO 0.55 0.14 0.00 0.93 -2.65 0.00 0.00 178.83 177.80 2p8i h GLU 66 N 0.22 0.00 0.00 1.69 3.07 -1.99 -2.66 114.58 114.91 2p8i h GLU 66 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2p8i h GLU 66 Cb -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2p8i h GLU 66 CO -0.01 0.00 -1.11 1.04 -1.40 0.00 0.00 179.01 177.53 2p8i n GLN 67 N -2.58 0.12 -0.04 2.33 6.02 -0.56 -4.69 117.38 117.98 2p8i n GLN 67 Ca 0.03 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 2p8i n GLN 67 Cb 0.37 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.10 2p8i n GLN 67 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2p8i h PHE 68 N 0.00 -0.32 -0.30 1.08 3.57 -0.91 -1.31 116.94 118.74 2p8i h PHE 68 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2p8i h PHE 68 Cb 0.59 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2p8i h PHE 68 CO 0.00 -0.19 0.09 0.00 -2.23 0.00 0.00 178.31 175.98 2p8i h ALA 69 N 1.03 0.40 -0.15 2.41 0.00 -1.84 0.19 119.26 121.30 2p8i h ALA 69 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2p8i h ALA 69 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2p8i h ALA 69 CO -0.28 0.03 0.00 0.22 0.00 0.00 0.00 179.25 179.22 2p8i h ASP 70 N 0.33 0.26 -0.23 0.00 3.58 -1.85 0.39 116.42 118.90 2p8i h ASP 70 Ca 0.10 -0.31 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 2p8i h ASP 70 Cb 0.24 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2p8i h ASP 70 CO -0.00 0.51 -0.05 0.25 -2.88 0.00 0.00 179.24 177.06 2p8i h LEU 71 N 0.01 0.44 -0.61 2.28 5.85 -1.14 -0.81 115.31 121.34 2p8i h LEU 71 Ca 0.04 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 2p8i h LEU 71 Cb 0.37 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2p8i h LEU 71 CO 0.01 0.70 -0.17 0.58 -0.34 0.00 0.00 178.44 179.22 2p8i h VAL 72 N 0.17 1.27 -0.58 1.05 2.07 -0.64 0.18 116.25 119.76 2p8i h VAL 72 Ca 0.06 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.32 2p8i h VAL 72 Cb 0.51 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2p8i h VAL 72 CO 0.02 0.45 0.31 1.23 0.02 0.00 0.00 177.57 179.60 2p8i h GLY 73 N 0.93 0.83 0.96 2.17 0.00 -0.83 -0.05 103.07 107.08 2p8i h GLY 73 Ca 0.12 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2p8i h GLY 73 CO 0.06 0.13 -0.06 -0.25 0.00 0.00 0.00 176.54 176.41 2p8i h TRP 74 N 0.58 0.80 -0.82 5.60 7.01 -0.75 -1.80 115.95 126.57 2p8i h TRP 74 Ca 0.26 -0.16 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 2p8i h TRP 74 Cb 0.16 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 2p8i h TRP 74 CO -0.09 0.84 0.36 -0.07 -2.79 0.00 0.00 178.44 176.69 2p8i h LEU 75 N 0.53 1.10 -0.97 0.65 3.38 -0.52 -0.51 115.31 118.96 2p8i h LEU 75 Ca 0.10 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2p8i h LEU 75 Cb 0.56 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2p8i h LEU 75 CO 0.03 0.94 0.64 0.74 0.09 0.00 0.00 178.44 180.88 2p8i h THR 76 N 1.17 1.18 0.00 0.22 2.02 -0.69 -0.39 112.91 116.41 2p8i h THR 76 Ca 0.28 -0.43 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 2p8i h THR 76 Cb 0.16 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 2p8i h THR 76 CO -0.03 0.23 -0.74 -0.07 0.37 0.00 0.00 175.52 175.28 2p8i h LEU 77 N 1.24 0.00 -2.29 2.58 3.38 -0.97 -3.38 115.31 115.86 2p8i h LEU 77 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2p8i h LEU 77 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2p8i h LEU 77 CO -0.12 0.74 0.00 0.59 0.09 0.00 0.00 178.44 179.74 2p8i n ASN 78 N -3.53 1.92 0.12 -0.43 3.02 -0.23 -4.68 115.26 111.45 2p8i n ASN 78 Ca -0.00 -1.68 0.13 0.00 -0.03 0.00 0.00 54.58 52.99 2p8i n ASN 78 Cb 0.75 -0.05 0.44 0.00 -0.61 0.00 0.00 39.78 40.32 2p8i n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p8i n HIS 79 N -0.05 0.93 -0.29 3.10 1.44 -0.19 -4.96 115.22 115.20 2p8i n HIS 79 Ca 0.03 0.31 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 2p8i n HIS 79 Cb 0.22 -1.00 0.00 0.00 0.12 0.00 0.00 29.99 29.34 2p8i n HIS 79 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2p8i n GLY 80 N 0.76 3.21 1.31 -1.39 0.00 -1.26 -2.07 105.19 105.75 2p8i n GLY 80 Ca 0.04 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2p8i n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p8i n ALA 81 N 11.60 2.96 -2.67 4.61 0.00 -1.26 -4.93 120.51 130.82 2p8i n ALA 81 Ca 0.00 -1.24 -0.40 0.00 0.00 0.00 0.00 53.44 51.80 2p8i n ALA 81 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 2p8i n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p8i s LEU 82 N -1.53 4.17 0.35 0.00 1.43 -0.88 -5.04 118.68 117.17 2p8i s LEU 82 Ca 0.41 0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 54.19 2p8i s LEU 82 Cb 0.26 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.41 2p8i s LEU 82 CO 0.20 -0.28 1.05 -1.81 0.23 0.00 0.00 176.35 175.74 2p8i s ASP 83 N 1.13 7.01 -0.08 2.29 1.01 -1.26 -4.79 116.67 121.98 2p8i s ASP 83 Ca 0.32 2.08 0.00 0.00 0.71 0.00 0.00 52.55 55.66 2p8i s ASP 83 Cb -0.16 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.19 2p8i s ASP 83 CO 0.11 -0.32 -0.07 -0.63 0.21 0.00 0.00 175.17 174.48 2p8i s ILE 84 N -1.48 0.84 -0.14 0.77 1.01 -0.58 -1.11 121.20 120.51 2p8i s ILE 84 Ca 0.52 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.76 2p8i s ILE 84 Cb -0.25 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2p8i s ILE 84 CO 0.31 0.32 0.51 0.12 0.00 0.00 0.00 174.94 176.21 2p8i s PHE 85 N 1.40 3.48 0.05 3.97 5.36 -0.10 -0.74 117.98 131.40 2p8i s PHE 85 Ca -0.02 0.89 0.06 0.00 -0.96 0.00 0.00 56.93 56.90 2p8i s PHE 85 Cb -0.13 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2p8i s PHE 85 CO -0.04 0.08 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.13 2p8i s LEU 86 N 0.94 2.19 -0.06 6.12 1.02 0.91 -0.05 118.68 129.74 2p8i s LEU 86 Ca 0.27 -0.51 -0.23 0.00 0.02 0.00 0.00 54.13 53.68 2p8i s LEU 86 Cb -0.15 -0.71 0.05 0.00 0.02 0.00 0.00 46.19 45.39 2p8i s LEU 86 CO 0.11 0.06 0.52 -1.38 0.02 0.00 0.00 176.35 175.68 2p8i s HIS 87 N -0.90 -0.47 0.59 0.29 -3.43 -0.48 -0.74 115.29 110.14 2p8i s HIS 87 Ca 0.03 0.87 -0.13 0.00 -0.80 0.00 0.00 55.06 55.02 2p8i s HIS 87 Cb -0.08 0.26 -0.05 0.00 -1.43 0.00 0.00 32.58 31.28 2p8i s HIS 87 CO 0.02 -0.48 1.02 -1.25 -2.00 0.00 0.00 174.74 172.05 2p8i s PRO 88 N -1.01 3.60 -0.36 -0.38 0.04 -1.26 -1.26 135.00 134.37 2p8i s PRO 88 Ca -0.10 0.90 -0.06 0.00 0.04 0.00 0.00 61.00 61.78 2p8i s PRO 88 Cb -0.03 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.49 2p8i s PRO 88 CO 0.06 -0.57 0.14 1.21 0.04 0.00 0.00 177.00 177.89 2p8i s ASN 89 N -3.60 5.32 0.00 6.66 2.47 0.64 -4.79 114.94 121.65 2p8i s ASN 89 Ca 0.58 -1.37 0.16 0.00 0.42 0.00 0.00 52.86 52.64 2p8i s ASN 89 Cb -0.12 -1.87 0.26 0.00 -1.45 0.00 0.00 41.25 38.08 2p8i s ASN 89 CO 0.45 -0.40 1.16 0.35 -3.72 0.00 0.00 177.10 174.93 2p8i n THR 90 N 4.78 0.43 -0.21 -5.21 -2.24 -1.26 -0.72 114.28 109.85 2p8i n THR 90 Ca -0.10 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2p8i n THR 90 Cb 0.44 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2p8i n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p8i n GLY 91 N 0.91 0.63 2.72 3.38 0.00 -1.26 -4.94 105.19 106.63 2p8i n GLY 91 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2p8i n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p8i s ASP 92 N -2.95 3.62 0.24 1.61 -1.08 -1.26 -5.00 116.67 111.86 2p8i s ASP 92 Ca 0.00 -2.95 -0.07 0.00 -0.52 0.00 0.00 52.55 49.01 2p8i s ASP 92 Cb 0.00 -1.12 0.26 0.00 -1.46 0.00 0.00 42.92 40.60 2p8i s ASP 92 CO 0.00 -0.22 1.90 0.00 0.52 0.00 0.00 175.17 177.37 2p8i h ALA 93 N 6.31 1.18 0.49 3.66 0.00 -1.95 -0.02 119.26 128.93 2p8i h ALA 93 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2p8i h ALA 93 Cb 0.89 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2p8i h ALA 93 CO 0.53 0.50 -0.24 1.25 0.00 0.00 0.00 179.25 181.29 2p8i h LEU 94 N 1.19 -0.57 -0.61 0.00 5.85 -1.94 -1.52 115.31 117.70 2p8i h LEU 94 Ca 0.35 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 2p8i h LEU 94 Cb -0.06 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2p8i h LEU 94 CO -0.10 -0.40 0.32 -0.09 -0.34 0.00 0.00 178.44 177.83 2p8i h ARG 95 N -0.67 0.86 -0.58 1.25 2.43 -1.90 0.54 114.38 116.31 2p8i h ARG 95 Ca -0.07 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2p8i h ARG 95 Cb 0.51 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2p8i h ARG 95 CO 0.11 0.67 0.34 -0.44 -1.51 0.00 0.00 179.97 179.14 2p8i h ASP 96 N 0.83 0.71 -0.02 -3.80 3.32 -0.92 0.69 116.42 117.23 2p8i h ASP 96 Ca 0.21 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 56.95 2p8i h ASP 96 Cb 0.07 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.46 2p8i h ASP 96 CO -0.03 0.57 -0.95 0.45 -1.72 0.00 0.00 179.24 177.56 2p8i h HIS 97 N 0.79 0.99 -0.19 4.55 3.86 -1.05 -2.17 115.15 121.93 2p8i h HIS 97 Ca 0.21 -0.53 -0.10 0.00 -1.16 0.00 0.00 60.37 58.79 2p8i h HIS 97 Cb -0.00 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 2p8i h HIS 97 CO -0.02 1.36 -0.27 -0.09 0.86 0.00 0.00 177.93 179.77 2p8i h ARG 98 N 0.34 0.52 0.00 2.45 2.43 -0.82 -3.37 114.38 115.92 2p8i h ARG 98 Ca -0.11 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2p8i h ARG 98 Cb 1.61 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 2p8i h ARG 98 CO 0.19 0.90 -0.58 -0.25 -1.51 0.00 0.00 179.97 178.72 2p8i n ASP 99 N -4.38 1.33 -1.14 -3.80 8.00 0.23 -4.66 116.55 112.14 2p8i n ASP 99 Ca -0.06 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2p8i n ASP 99 Cb 0.45 1.08 0.13 0.00 -0.02 0.00 0.00 41.12 42.77 2p8i n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p8i n ALA 100 N -1.31 3.57 -2.13 2.24 0.00 -0.82 -5.02 120.51 117.03 2p8i n ALA 100 Ca 0.00 -3.17 -0.41 0.00 0.00 0.00 0.00 53.44 49.87 2p8i n ALA 100 Cb 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 2p8i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p8i s ALA 101 N -2.69 3.38 0.04 0.00 0.00 -1.22 -4.26 121.76 117.02 2p8i s ALA 101 Ca 0.39 0.85 0.07 0.00 0.00 0.00 0.00 51.96 53.26 2p8i s ALA 101 Cb 0.38 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2p8i s ALA 101 CO -0.07 -0.29 -0.19 0.08 0.00 0.00 0.00 175.76 175.29 2p8i s VAL 102 N 0.04 1.55 -0.07 0.00 1.01 0.08 -5.00 120.40 118.00 2p8i s VAL 102 Ca 0.52 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2p8i s VAL 102 Cb -0.30 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2p8i s VAL 102 CO 0.34 0.17 -0.02 0.26 0.00 0.00 0.00 175.10 175.85 2p8i s TRP 103 N -0.79 0.84 -0.31 5.22 0.52 -1.26 -0.06 118.94 123.09 2p8i s TRP 103 Ca 0.06 -0.28 -0.24 0.00 0.02 0.00 0.00 56.10 55.66 2p8i s TRP 103 Cb -0.09 -0.86 0.00 0.00 -1.15 0.00 0.00 33.47 31.38 2p8i s TRP 103 CO 0.02 -0.34 0.80 0.42 0.02 0.00 0.00 176.95 177.87 2p8i s ILE 104 N 1.72 4.78 0.00 2.03 1.01 0.08 -4.67 121.20 126.15 2p8i s ILE 104 Ca 0.02 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.85 2p8i s ILE 104 Cb -0.13 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2p8i s ILE 104 CO -0.05 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.23 2p8i n GLY 105 N 4.21 1.01 3.18 6.18 0.00 -1.26 -1.52 105.19 116.99 2p8i n GLY 105 Ca 0.04 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 2p8i n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p8i s HIS 106 N 0.00 1.31 0.42 1.61 3.76 -1.26 -5.08 115.29 116.05 2p8i s HIS 106 Ca 0.00 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.31 2p8i s HIS 106 Cb 0.00 -0.75 -0.09 0.00 1.11 0.00 0.00 32.58 32.85 2p8i s HIS 106 CO 0.00 0.07 0.88 -1.54 -0.85 0.00 0.00 174.74 173.30 2p8i s SER 107 N -1.59 6.78 0.10 1.40 1.04 -1.26 -4.73 113.70 115.44 2p8i s SER 107 Ca 0.00 1.49 0.08 0.00 0.48 0.00 0.00 55.95 58.00 2p8i s SER 107 Cb -0.09 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 2p8i s SER 107 CO 0.02 -0.37 -0.19 -1.00 0.98 0.00 0.00 173.24 172.68 2p8i s HIS 108 N -2.24 1.67 -0.11 5.02 3.76 -1.26 -5.12 115.29 117.01 2p8i s HIS 108 Ca 0.58 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.76 2p8i s HIS 108 Cb -0.10 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 2p8i s HIS 108 CO 0.20 0.19 1.22 -1.21 -0.85 0.00 0.00 174.74 174.29 2p8i s GLU 109 N -2.02 4.30 0.73 1.40 2.02 -1.26 -5.03 118.70 118.84 2p8i s GLU 109 Ca 0.06 1.66 -0.11 0.00 0.02 0.00 0.00 54.97 56.60 2p8i s GLU 109 Cb -0.09 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.52 2p8i s GLU 109 CO 0.04 -0.56 1.08 -0.51 0.02 0.00 0.00 175.26 175.33 2p8i s LEU 110 N 2.77 2.90 -1.19 1.80 1.43 -1.26 -4.66 118.68 120.47 2p8i s LEU 110 Ca 0.55 1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 54.89 2p8i s LEU 110 Cb -0.23 -4.17 0.16 0.00 0.03 0.00 0.00 46.19 41.98 2p8i s LEU 110 CO 0.19 -1.55 1.43 -0.69 0.23 0.00 0.00 176.35 175.96 2p8i s VAL 111 N -3.17 4.95 0.51 -1.59 1.01 0.14 -4.85 120.40 117.40 2p8i s VAL 111 Ca 0.59 -2.51 0.22 0.00 0.00 0.00 0.00 61.98 60.28 2p8i s VAL 111 Cb -0.13 -4.92 0.28 0.00 0.00 0.00 0.00 36.38 31.61 2p8i s VAL 111 CO 0.54 -1.64 2.13 -0.07 0.00 0.00 0.00 175.10 176.06 2p8i h LEU 112 N 9.96 0.00 -1.62 3.92 3.38 -1.93 -1.72 115.31 127.31 2p8i h LEU 112 Ca 0.31 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.50 2p8i h LEU 112 Cb 0.88 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2p8i h LEU 112 CO 1.25 0.07 0.60 0.77 0.09 0.00 0.00 178.44 181.22 2p8i h SER 113 N 0.00 0.31 0.63 -0.43 4.64 -1.97 -0.60 113.55 116.14 2p8i h SER 113 Ca -0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2p8i h SER 113 Cb 0.14 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2p8i h SER 113 CO 0.01 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 2p8i n ALA 114 N -2.56 1.85 1.54 5.18 0.00 -0.65 -2.97 120.51 122.91 2p8i n ALA 114 Ca 0.19 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2p8i n ALA 114 Cb 0.75 -1.30 0.53 0.00 0.00 0.00 0.00 19.45 19.43 2p8i n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2p8i n LEU 115 N -1.49 1.13 -0.94 0.00 4.77 -0.23 -4.71 117.00 115.53 2p8i n LEU 115 Ca 0.05 -0.43 0.12 0.00 -0.03 0.00 0.00 56.01 55.72 2p8i n LEU 115 Cb 0.22 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2p8i n LEU 115 CO 0.17 0.21 0.64 -3.20 -1.33 0.00 0.00 177.39 173.89