#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 -0.12 0.26 2.61 2.01 -1.26 -5.25 115.64 113.89 2p8i s THR 2 Ca 0.00 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 2p8i s THR 2 Cb 0.00 -0.18 -0.09 0.00 0.01 0.00 0.00 72.50 72.24 2p8i s THR 2 CO 0.00 0.13 1.18 -0.36 -0.69 0.00 0.00 174.62 174.88 2p8i s PHE 3 N 1.70 3.40 0.15 4.92 0.40 -1.26 -5.06 117.98 122.24 2p8i s PHE 3 Ca -0.02 1.53 0.09 0.00 -0.60 0.00 0.00 56.93 57.93 2p8i s PHE 3 Cb -0.12 -3.43 -0.04 0.00 0.51 0.00 0.00 43.02 39.94 2p8i s PHE 3 CO -0.04 -1.10 -0.14 1.03 0.70 0.00 0.00 175.22 175.68 2p8i s ARG 4 N -1.10 1.93 0.44 0.44 0.52 -1.26 -5.15 118.95 114.78 2p8i s ARG 4 Ca 0.49 -1.24 -0.03 0.00 -0.52 0.00 0.00 55.73 54.43 2p8i s ARG 4 Cb -0.34 -2.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 2p8i s ARG 4 CO 0.42 0.45 0.71 -0.51 0.02 0.00 0.00 175.30 176.39 2p8i s ASP 5 N -2.53 6.19 0.39 0.23 1.01 -1.26 -4.98 116.67 115.72 2p8i s ASP 5 Ca 0.22 0.71 0.28 0.00 0.71 0.00 0.00 52.55 54.47 2p8i s ASP 5 Cb -0.09 -2.08 1.28 0.00 1.01 0.00 0.00 42.92 43.04 2p8i s ASP 5 CO 0.13 -0.53 1.85 0.71 0.21 0.00 0.00 175.17 177.54 2p8i h THR 6 N 0.38 0.00 0.00 -1.27 1.35 -2.01 -1.57 112.91 109.80 2p8i h THR 6 Ca -0.48 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2p8i h THR 6 Cb 1.22 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2p8i h THR 6 CO 0.61 0.00 0.14 0.77 -0.25 0.00 0.00 175.52 176.79 2p8i h SER 7 N 0.00 0.00 0.23 5.36 4.64 -2.05 -1.21 113.55 120.53 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 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2p8i h SER 7 CO 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.95 2p8i h ALA 8 N 1.72 1.08 -2.27 5.18 0.00 -1.67 -3.41 119.26 119.89 2p8i h ALA 8 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2p8i h ALA 8 Cb 0.28 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.94 2p8i h ALA 8 CO 0.00 0.02 0.24 0.42 0.00 0.00 0.00 179.25 179.92 2p8i s ILE 9 N -4.11 4.83 0.04 0.00 1.01 -0.46 -4.44 121.20 118.08 2p8i s ILE 9 Ca -0.04 0.74 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 2p8i s ILE 9 Cb 0.12 -4.12 -0.28 0.00 0.01 0.00 0.00 42.46 38.19 2p8i s ILE 9 CO 0.47 -0.34 1.02 0.00 0.00 0.00 0.00 174.94 176.09 2p8i h ALA 10 N 8.43 0.16 -2.36 9.38 0.00 -1.11 -3.47 119.26 130.29 2p8i h ALA 10 Ca -0.26 -0.98 0.21 0.00 0.00 0.00 0.00 54.91 53.89 2p8i h ALA 10 Cb 1.10 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2p8i h ALA 10 CO 0.86 1.04 0.66 -1.54 0.00 0.00 0.00 179.25 180.27 2p8i s SER 11 N -7.08 -0.02 0.10 0.00 1.04 -1.23 -4.72 113.70 101.80 2p8i s SER 11 Ca -0.06 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 55.92 2p8i s SER 11 Cb 0.07 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2p8i s SER 11 CO 0.87 -0.80 -0.18 0.26 0.98 0.00 0.00 173.24 174.38 2p8i s TRP 12 N -2.25 1.57 -0.04 5.02 0.52 0.16 -0.47 118.94 123.45 2p8i s TRP 12 Ca 0.22 -0.46 0.07 0.00 0.02 0.00 0.00 56.10 55.95 2p8i s TRP 12 Cb -0.02 -0.85 -0.02 0.00 -1.15 0.00 0.00 33.47 31.44 2p8i s TRP 12 CO 0.03 0.17 -0.24 -1.01 0.02 0.00 0.00 176.95 175.92 2p8i s HIS 13 N -1.46 2.42 0.08 -1.98 3.76 -0.60 -1.71 115.29 115.80 2p8i s HIS 13 Ca 0.06 -0.49 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 2p8i s HIS 13 Cb -0.09 -1.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 2p8i s HIS 13 CO 0.04 -0.06 -0.20 0.00 -0.85 0.00 0.00 174.74 173.67 2p8i s ALA 14 N -0.48 2.58 -0.15 -1.40 0.00 0.18 -1.41 121.76 121.08 2p8i s ALA 14 Ca 0.06 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 2p8i s ALA 14 Cb -0.11 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.42 2p8i s ALA 14 CO 0.01 0.57 -0.02 -1.01 0.00 0.00 0.00 175.76 175.31 2p8i s HIS 15 N -1.02 1.30 -0.08 0.00 3.76 0.14 0.08 115.29 119.47 2p8i s HIS 15 Ca 0.16 -0.82 -0.30 0.00 -0.15 0.00 0.00 55.06 53.95 2p8i s HIS 15 Cb -0.10 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.43 2p8i s HIS 15 CO 0.07 -0.55 1.20 0.08 -0.85 0.00 0.00 174.74 174.69 2p8i s VAL 16 N 1.77 4.30 -0.02 -0.90 1.01 -0.29 -1.07 120.40 125.20 2p8i s VAL 16 Ca 0.01 1.61 -0.03 0.00 0.00 0.00 0.00 61.98 63.58 2p8i s VAL 16 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2p8i s VAL 16 CO -0.07 -0.03 0.15 -0.31 0.00 0.00 0.00 175.10 174.83 2p8i s TYR 17 N 2.48 3.49 0.32 5.22 1.51 -0.14 -2.12 117.35 128.10 2p8i s TYR 17 Ca 0.55 0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 56.77 2p8i s TYR 17 Cb -0.23 -1.82 0.07 0.00 -0.11 0.00 0.00 41.96 39.86 2p8i s TYR 17 CO 0.20 0.63 0.89 -0.59 -1.11 0.00 0.00 175.55 175.57 2p8i s PHE 18 N -1.25 0.14 0.12 2.71 -0.71 -0.44 -4.10 117.98 114.45 2p8i s PHE 18 Ca 0.24 -0.74 -0.02 0.00 -1.04 0.00 0.00 56.93 55.38 2p8i s PHE 18 Cb -0.12 0.81 0.01 0.00 -1.21 0.00 0.00 43.02 42.50 2p8i s PHE 18 CO 0.15 -1.38 0.19 -0.40 -1.34 0.00 0.00 175.22 172.45 2p8i n ASP 19 N -1.46 -0.53 -0.33 1.98 5.68 -1.26 -1.03 116.55 119.60 2p8i n ASP 19 Ca -0.07 -1.60 0.08 0.00 -0.50 0.00 0.00 54.79 52.70 2p8i n ASP 19 Cb 0.60 0.95 0.28 0.00 -1.14 0.00 0.00 41.12 41.82 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 1.73 1.62 0.00 2.12 0.00 -2.00 -1.25 119.26 121.47 2p8i h ALA 20 Ca -0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2p8i h ALA 20 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2p8i h ALA 20 CO 0.13 0.14 -0.18 0.66 0.00 0.00 0.00 179.25 180.00 2p8i h SER 21 N 0.90 0.00 -0.04 0.00 4.64 -2.05 -3.16 113.55 113.85 2p8i h SER 21 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2p8i h SER 21 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2p8i h SER 21 CO -0.24 0.18 0.00 -1.54 -0.87 0.00 0.00 176.83 174.36 2p8i n SER 22 N -3.63 2.36 -0.15 4.97 3.41 -0.62 -4.74 113.62 115.22 2p8i n SER 22 Ca -0.01 -2.61 -0.08 0.00 -0.26 0.00 0.00 58.87 55.91 2p8i n SER 22 Cb 0.31 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.24 0.60 -0.48 4.33 2.43 -1.23 0.15 114.38 120.42 2p8i h ARG 23 Ca 0.00 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2p8i h ARG 23 Cb 0.83 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2p8i h ARG 23 CO 0.02 0.43 0.02 -0.44 -1.51 0.00 0.00 179.97 178.49 2p8i h ASP 24 N 0.60 0.81 -0.84 -3.80 3.32 -1.85 0.21 116.42 114.87 2p8i h ASP 24 Ca 0.16 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.93 2p8i h ASP 24 Cb -0.03 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 2p8i h ASP 24 CO -0.03 0.91 0.56 0.00 -1.72 0.00 0.00 179.24 178.95 2p8i h ALA 25 N 0.94 1.07 -0.50 3.45 0.00 -1.84 -0.83 119.26 121.55 2p8i h ALA 25 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2p8i h ALA 25 Cb 0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2p8i h ALA 25 CO 0.02 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.65 2p8i h ALA 26 N 1.31 0.90 -0.29 0.00 0.00 -0.41 -1.66 119.26 119.11 2p8i h ALA 26 Ca 0.31 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2p8i h ALA 26 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2p8i h ALA 26 CO -0.07 0.64 0.01 2.35 0.00 0.00 0.00 179.25 182.18 2p8i h TRP 27 N 0.82 0.55 -0.54 0.00 2.91 -0.71 -1.07 115.95 117.90 2p8i h TRP 27 Ca 0.14 -0.09 0.08 0.00 1.13 0.00 0.00 58.89 60.15 2p8i h TRP 27 Cb 0.61 -0.15 -0.07 0.00 -0.51 0.00 0.00 29.16 29.05 2p8i h TRP 27 CO 0.04 0.63 0.17 1.15 -1.03 0.00 0.00 178.44 179.40 2p8i h THR 28 N 0.31 0.77 -0.65 2.65 2.02 -1.04 -0.51 112.91 116.46 2p8i h THR 28 Ca 0.09 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 2p8i h THR 28 Cb 0.40 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2p8i h THR 28 CO 0.01 0.06 0.23 0.25 0.37 0.00 0.00 175.52 176.45 2p8i h LEU 29 N 0.34 0.90 -0.77 2.58 5.85 -1.12 -2.30 115.31 120.78 2p8i h LEU 29 Ca 0.27 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2p8i h LEU 29 Cb 0.33 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2p8i h LEU 29 CO -0.30 0.82 0.27 -0.09 -0.34 0.00 0.00 178.44 178.81 2p8i h ARG 30 N 0.95 1.17 -0.39 1.25 2.43 -0.39 0.18 114.38 119.58 2p8i h ARG 30 Ca 0.22 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2p8i h ARG 30 Cb 0.23 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2p8i h ARG 30 CO -0.01 0.97 -0.09 0.93 -1.51 0.00 0.00 179.97 180.26 2p8i h GLU 31 N 1.13 0.67 -0.28 0.20 4.39 -0.80 0.27 114.58 120.16 2p8i h GLU 31 Ca 0.25 -0.20 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 2p8i h GLU 31 Cb 0.27 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2p8i h GLU 31 CO -0.01 0.75 -0.38 0.37 -1.16 0.00 0.00 179.01 178.58 2p8i h GLN 32 N 0.62 0.64 -0.28 2.33 5.75 -0.79 -1.56 115.11 121.82 2p8i h GLN 32 Ca 0.11 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.26 2p8i h GLN 32 Cb 0.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 2p8i h GLN 32 CO 0.03 0.91 0.03 0.82 -2.65 0.00 0.00 178.83 177.98 2p8i h ILE 33 N 0.53 1.24 -0.41 2.39 2.04 -0.05 -1.30 117.51 121.95 2p8i h ILE 33 Ca 0.05 -0.82 0.08 0.00 1.00 0.00 0.00 64.86 65.17 2p8i h ILE 33 Cb 0.89 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 38.14 2p8i h ILE 33 CO 0.08 0.26 -0.07 -0.33 0.00 0.00 0.00 178.15 178.09 2p8i h GLU 34 N 0.28 0.03 -0.54 2.37 5.08 -0.86 0.87 114.58 121.81 2p8i h GLU 34 Ca 0.08 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2p8i h GLU 34 Cb 0.36 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2p8i h GLU 34 CO 0.01 0.02 -0.09 0.00 -1.00 0.00 0.00 179.01 177.94 2p8i h ALA 35 N 1.39 0.74 0.00 3.43 0.00 -1.13 -2.97 119.26 120.72 2p8i h ALA 35 Ca 0.20 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2p8i h ALA 35 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2p8i h ALA 35 CO -0.40 0.64 -1.51 1.58 0.00 0.00 0.00 179.25 179.57 2p8i n HIS 36 N -4.17 0.62 -1.13 0.00 -0.00 -0.50 -4.39 115.22 105.64 2p8i n HIS 36 Ca 0.01 0.19 0.05 0.00 -0.00 0.00 0.00 57.72 57.98 2p8i n HIS 36 Cb 0.39 -0.87 0.07 0.00 -0.00 0.00 0.00 29.99 29.59 2p8i n HIS 36 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 2p8i n TRP 37 N -2.62 0.00 -1.69 1.57 7.02 0.27 -5.03 117.44 116.95 2p8i n TRP 37 Ca -0.07 -0.60 -0.44 0.00 -1.02 0.00 0.00 57.50 55.37 2p8i n TRP 37 Cb 0.68 -0.10 -0.03 0.00 -2.42 0.00 0.00 31.31 29.44 2p8i n TRP 37 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2p8i n SER 38 N -0.84 3.43 0.00 -0.99 3.41 -1.12 -1.29 113.62 116.23 2p8i n SER 38 Ca 0.08 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 2p8i n SER 38 Cb 0.59 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 2p8i n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p8i n GLY 39 N 3.29 2.74 0.10 5.00 0.00 -1.26 -4.85 105.19 110.20 2p8i n GLY 39 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.00 2.07 -3.71 1.61 4.76 -0.41 -5.00 118.16 115.49 2p8i n LYS 40 Ca 0.00 -0.22 -0.09 0.00 -2.87 0.00 0.00 58.31 55.13 2p8i n LYS 40 Cb 0.00 -1.20 -0.02 0.00 -1.84 0.00 0.00 35.03 31.96 2p8i n LYS 40 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2p8i s LEU 41 N -2.49 -0.28 -0.22 -0.35 0.05 -1.23 -4.75 118.68 109.40 2p8i s LEU 41 Ca 0.07 -0.41 -0.08 0.00 0.05 0.00 0.00 54.13 53.76 2p8i s LEU 41 Cb 0.11 2.56 -0.04 0.00 -2.05 0.00 0.00 46.19 46.77 2p8i s LEU 41 CO 0.54 -1.17 0.10 -1.10 -0.55 0.00 0.00 176.35 174.16 2p8i s GLN 42 N -3.86 3.90 -0.22 1.48 -0.21 -0.44 -4.93 119.66 115.38 2p8i s GLN 42 Ca 0.08 -0.36 -0.07 0.00 0.02 0.00 0.00 55.36 55.03 2p8i s GLN 42 Cb -0.03 -3.37 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 2p8i s GLN 42 CO -0.01 0.04 0.05 -1.17 -2.12 0.00 0.00 175.29 172.09 2p8i s LEU 43 N 1.03 3.52 0.00 2.90 2.96 -1.26 -0.60 118.68 127.23 2p8i s LEU 43 Ca 0.05 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 2p8i s LEU 43 Cb -0.14 -1.92 0.14 0.00 0.50 0.00 0.00 46.19 44.77 2p8i s LEU 43 CO 0.04 0.05 0.90 0.61 -1.32 0.00 0.00 176.35 176.62 2p8i n GLY 44 N 4.37 -0.10 3.78 7.98 0.00 -0.04 -5.01 105.19 116.16 2p8i n GLY 44 Ca -0.16 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 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 -4.84 2.73 -0.66 1.61 3.00 -1.26 -4.61 118.95 114.91 2p8i s ARG 45 Ca 0.56 1.28 -0.24 0.00 0.00 0.00 0.00 55.73 57.32 2p8i s ARG 45 Cb -0.02 -1.95 0.05 0.00 0.00 0.00 0.00 34.95 33.03 2p8i s ARG 45 CO 0.38 -1.29 1.04 0.12 0.00 0.00 0.00 175.30 175.55 2p8i s PHE 46 N -2.55 2.59 -0.42 -0.53 5.36 -1.26 -4.40 117.98 116.77 2p8i s PHE 46 Ca 0.64 -0.31 -0.20 0.00 -0.96 0.00 0.00 56.93 56.10 2p8i s PHE 46 Cb -0.19 -4.35 0.02 0.00 -0.34 0.00 0.00 43.02 38.17 2p8i s PHE 46 CO 0.46 -1.70 0.59 -1.01 -1.46 0.00 0.00 175.22 172.09 2p8i s HIS 47 N 4.48 3.10 -0.47 10.12 3.76 -0.09 -4.93 115.29 131.27 2p8i s HIS 47 Ca 0.27 -0.09 -0.00 0.00 -0.15 0.00 0.00 55.06 55.09 2p8i s HIS 47 Cb -0.14 -3.20 0.40 0.00 1.11 0.00 0.00 32.58 30.75 2p8i s HIS 47 CO 0.13 -0.79 1.94 0.39 -0.85 0.00 0.00 174.74 175.56 2p8i n GLU 48 N 6.06 2.22 -3.65 1.40 1.02 -1.26 -1.48 120.64 124.96 2p8i n GLU 48 Ca -0.03 -2.50 -0.10 0.00 -0.02 0.00 0.00 57.16 54.51 2p8i n GLU 48 Cb 0.48 -1.98 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 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 -2.87 1.32 0.14 3.49 1.70 -1.26 -4.97 118.95 116.50 2p8i s ARG 49 Ca 0.49 -0.74 -0.31 0.00 -0.47 0.00 0.00 55.73 54.69 2p8i s ARG 49 Cb 0.39 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 35.20 2p8i s ARG 49 CO 0.02 -0.56 1.68 -2.14 -1.08 0.00 0.00 175.30 173.22 2p8i s PRO 50 N -3.83 4.17 0.10 3.89 0.02 -1.26 -4.41 135.00 133.68 2p8i s PRO 50 Ca 0.06 2.46 0.07 0.00 0.02 0.00 0.00 61.00 63.61 2p8i s PRO 50 Cb -0.01 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 2p8i s PRO 50 CO -0.07 -0.72 -0.18 0.14 -0.33 0.00 0.00 177.00 175.84 2p8i s VAL 51 N 1.89 1.49 0.00 3.83 -7.23 -1.22 -4.98 120.40 114.17 2p8i s VAL 51 Ca 0.74 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2p8i s VAL 51 Cb -0.44 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.08 2p8i s VAL 51 CO 0.33 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2p8i n GLY 52 N 1.04 3.28 0.30 2.32 0.00 -1.26 -1.03 105.19 109.84 2p8i n GLY 52 Ca -0.19 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 1.40 -3.17 1.61 -0.04 -1.26 -4.82 135.00 142.72 2p8i n PRO 53 Ca 0.00 -0.60 -0.40 0.00 -0.04 0.00 0.00 63.50 62.46 2p8i n PRO 53 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.90 3.37 -0.14 0.54 3.76 -0.20 -0.42 115.29 120.30 2p8i s HIS 54 Ca 0.32 0.86 0.01 0.00 -0.15 0.00 0.00 55.06 56.10 2p8i s HIS 54 Cb 0.16 -2.75 0.20 0.00 1.11 0.00 0.00 32.58 31.30 2p8i s HIS 54 CO 0.25 -0.15 1.33 -0.35 -0.85 0.00 0.00 174.74 174.98 2p8i n PRO 55 N 4.96 1.40 -3.11 8.40 -0.04 -1.26 -3.46 135.00 141.88 2p8i n PRO 55 Ca -0.03 -0.94 -0.31 0.00 -0.04 0.00 0.00 63.50 62.19 2p8i n PRO 55 Cb 0.50 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.03 3.44 0.12 0.54 0.52 -0.20 -4.77 118.94 117.56 2p8i s TRP 57 Ca 0.18 0.98 -0.25 0.00 0.02 0.00 0.00 56.10 57.03 2p8i s TRP 57 Cb 0.15 -2.37 0.08 0.00 -1.15 0.00 0.00 33.47 30.18 2p8i s TRP 57 CO 0.03 0.06 0.73 -1.54 0.02 0.00 0.00 176.95 176.26 2p8i s SER 58 N -2.81 -0.44 0.02 2.95 1.04 -0.55 -1.33 113.70 112.58 2p8i s SER 58 Ca 0.50 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.81 2p8i s SER 58 Cb -0.10 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 2p8i s SER 58 CO 0.26 -0.88 0.05 -0.72 0.98 0.00 0.00 173.24 172.92 2p8i s TYR 59 N -3.52 0.20 -0.03 5.02 -0.85 -0.90 -0.91 117.35 116.36 2p8i s TYR 59 Ca 0.04 -0.45 -0.02 0.00 -0.52 0.00 0.00 57.07 56.12 2p8i s TYR 59 Cb -0.01 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 2p8i s TYR 59 CO -0.09 -0.27 0.11 -1.14 -1.52 0.00 0.00 175.55 172.64 2p8i s GLN 60 N -1.85 3.20 -0.14 -3.49 0.74 -1.26 -1.13 119.66 115.73 2p8i s GLN 60 Ca -0.12 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 54.93 2p8i s GLN 60 Cb -0.06 -2.96 0.01 0.00 1.10 0.00 0.00 33.01 31.10 2p8i s GLN 60 CO -0.02 0.68 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.67 2p8i s LEU 61 N -1.59 2.11 -0.12 3.68 1.43 0.11 -0.86 118.68 123.44 2p8i s LEU 61 Ca 0.22 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2p8i s LEU 61 Cb -0.12 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2p8i s LEU 61 CO 0.12 0.08 -0.10 0.00 0.23 0.00 0.00 176.35 176.68 2p8i s ALA 62 N 0.80 2.76 0.23 4.21 0.00 0.23 -0.65 121.76 129.33 2p8i s ALA 62 Ca -0.07 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 2p8i s ALA 62 Cb -0.16 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.75 2p8i s ALA 62 CO -0.02 0.32 0.66 -0.59 0.00 0.00 0.00 175.76 176.14 2p8i s PHE 63 N 0.07 -0.34 0.48 0.00 -0.71 -0.69 -1.33 117.98 115.46 2p8i s PHE 63 Ca -0.04 -0.01 -0.00 0.00 -1.04 0.00 0.00 56.93 55.84 2p8i s PHE 63 Cb -0.14 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2p8i s PHE 63 CO 0.04 -1.06 0.71 0.95 -1.34 0.00 0.00 175.22 174.52 2p8i s THR 64 N -3.85 3.82 0.51 -4.49 -4.23 -1.26 -0.66 115.64 105.48 2p8i s THR 64 Ca 0.07 -0.44 0.19 0.00 -1.18 0.00 0.00 61.69 60.32 2p8i s THR 64 Cb -0.04 -3.43 0.32 0.00 1.34 0.00 0.00 72.50 70.70 2p8i s THR 64 CO -0.02 -0.32 2.07 -0.61 -0.54 0.00 0.00 174.62 175.20 2p8i h GLN 65 N 0.29 0.07 0.00 3.99 5.75 -1.91 -1.88 115.11 121.41 2p8i h GLN 65 Ca -0.46 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2p8i h GLN 65 Cb 1.26 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2p8i h GLN 65 CO 0.57 0.04 0.00 0.39 -2.65 0.00 0.00 178.83 177.19 2p8i n GLU 66 N -4.47 0.21 0.00 1.69 4.71 -1.26 -2.45 120.64 119.07 2p8i n GLU 66 Ca 0.03 0.32 0.09 0.00 -0.01 0.00 0.00 57.16 57.60 2p8i n GLU 66 Cb 0.32 -1.82 -0.01 0.00 -1.01 0.00 0.00 31.44 28.92 2p8i n GLU 66 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2p8i n GLN 67 N -2.19 1.43 0.13 3.49 1.13 -0.74 -4.69 117.38 115.94 2p8i n GLN 67 Ca 0.04 -0.87 -0.13 0.00 -1.94 0.00 0.00 57.00 54.10 2p8i n GLN 67 Cb 0.31 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 2p8i n GLN 67 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2p8i h PHE 68 N 2.03 -0.79 -0.48 1.08 3.04 -1.17 -1.31 116.94 119.35 2p8i h PHE 68 Ca 0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2p8i h PHE 68 Cb 0.65 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 2p8i h PHE 68 CO 0.00 -0.40 0.24 0.00 -2.02 0.00 0.00 178.31 176.13 2p8i h ALA 69 N 0.15 0.61 -0.21 2.41 0.00 -1.84 0.11 119.26 120.50 2p8i h ALA 69 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2p8i h ALA 69 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2p8i h ALA 69 CO -0.15 0.17 -0.02 -0.44 0.00 0.00 0.00 179.25 178.81 2p8i h ASP 70 N 0.63 0.38 -0.06 0.00 3.32 -1.85 -0.30 116.42 118.53 2p8i h ASP 70 Ca 0.16 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 2p8i h ASP 70 Cb 0.10 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2p8i h ASP 70 CO -0.02 0.62 -0.17 0.25 -1.72 0.00 0.00 179.24 178.20 2p8i h LEU 71 N 0.13 0.25 -0.59 1.55 5.85 -1.09 -2.03 115.31 119.38 2p8i h LEU 71 Ca 0.06 -0.60 -0.14 0.00 0.84 0.00 0.00 57.88 58.04 2p8i h LEU 71 Cb 0.43 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2p8i h LEU 71 CO 0.01 0.81 -0.37 0.58 -0.34 0.00 0.00 178.44 179.14 2p8i h VAL 72 N -0.30 1.29 -0.43 1.05 2.07 -0.82 0.88 116.25 119.98 2p8i h VAL 72 Ca -0.00 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.03 2p8i h VAL 72 Cb 0.78 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2p8i h VAL 72 CO 0.04 0.49 0.21 1.23 0.02 0.00 0.00 177.57 179.56 2p8i h GLY 73 N 0.96 0.59 0.96 2.17 0.00 -1.08 -0.37 103.07 106.30 2p8i h GLY 73 Ca 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 2p8i h GLY 73 CO 0.08 0.10 0.03 -0.25 0.00 0.00 0.00 176.54 176.49 2p8i h TRP 74 N 0.42 0.81 -0.58 5.60 7.01 -0.97 -2.02 115.95 126.23 2p8i h TRP 74 Ca 0.19 -0.13 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 2p8i h TRP 74 Cb 0.10 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 2p8i h TRP 74 CO -0.11 0.79 0.22 -0.07 -2.79 0.00 0.00 178.44 176.48 2p8i h LEU 75 N 0.59 0.77 -0.53 0.65 3.38 -0.70 -0.70 115.31 118.78 2p8i h LEU 75 Ca 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2p8i h LEU 75 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2p8i h LEU 75 CO 0.02 0.71 0.33 0.74 0.09 0.00 0.00 178.44 180.32 2p8i h THR 76 N 0.83 1.15 0.00 0.22 2.02 -0.76 -0.70 112.91 115.67 2p8i h THR 76 Ca 0.20 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2p8i h THR 76 Cb 0.19 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2p8i h THR 76 CO -0.02 0.15 -0.44 -0.07 0.37 0.00 0.00 175.52 175.52 2p8i h LEU 77 N 0.71 0.00 -2.13 2.58 3.38 -0.97 -3.38 115.31 115.50 2p8i h LEU 77 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2p8i h LEU 77 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2p8i h LEU 77 CO -0.04 0.44 0.00 0.59 0.09 0.00 0.00 178.44 179.52 2p8i n ASN 78 N -3.58 1.37 0.00 -0.43 3.02 -0.31 -4.73 115.26 110.60 2p8i n ASN 78 Ca -0.00 -1.59 0.14 0.00 -0.03 0.00 0.00 54.58 53.10 2p8i n ASN 78 Cb 0.54 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.39 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 -0.30 0.00 0.00 3.10 1.44 -0.30 -4.98 115.22 114.18 2p8i n HIS 79 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2p8i n HIS 79 Cb 0.25 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 29.95 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 1.39 3.56 1.30 -1.39 0.00 -1.26 -2.14 105.19 106.64 2p8i n GLY 80 Ca 0.10 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 11.63 2.39 -2.64 4.61 0.00 -1.26 -4.92 120.51 130.32 2p8i n ALA 81 Ca 0.00 -1.22 -0.42 0.00 0.00 0.00 0.00 53.44 51.80 2p8i n ALA 81 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.04 4.07 0.38 0.00 1.43 -0.91 -5.04 118.68 117.57 2p8i s LEU 82 Ca 0.47 1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 54.34 2p8i s LEU 82 Cb 0.25 -3.26 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 2p8i s LEU 82 CO 0.32 -0.59 1.20 -1.81 0.23 0.00 0.00 176.35 175.71 2p8i s ASP 83 N 1.39 6.59 -0.11 2.29 1.01 -1.26 -4.82 116.67 121.76 2p8i s ASP 83 Ca 0.37 2.44 0.01 0.00 0.71 0.00 0.00 52.55 56.08 2p8i s ASP 83 Cb -0.15 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.18 2p8i s ASP 83 CO 0.09 -0.64 -0.14 -0.63 0.21 0.00 0.00 175.17 174.06 2p8i s ILE 84 N -1.32 1.40 -0.15 0.77 1.01 -0.43 -0.97 121.20 121.50 2p8i s ILE 84 Ca 0.55 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 2p8i s ILE 84 Cb -0.33 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2p8i s ILE 84 CO 0.43 0.42 0.50 0.12 0.00 0.00 0.00 174.94 176.41 2p8i s PHE 85 N 1.13 3.45 0.03 3.97 5.36 -0.23 -0.77 117.98 130.91 2p8i s PHE 85 Ca -0.04 0.85 0.06 0.00 -0.96 0.00 0.00 56.93 56.84 2p8i s PHE 85 Cb -0.14 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 2p8i s PHE 85 CO -0.03 0.04 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.08 2p8i s LEU 86 N 1.09 2.13 -0.02 6.12 1.02 0.70 0.28 118.68 130.00 2p8i s LEU 86 Ca 0.25 -0.45 -0.19 0.00 0.02 0.00 0.00 54.13 53.77 2p8i s LEU 86 Cb -0.15 -0.83 0.03 0.00 0.02 0.00 0.00 46.19 45.26 2p8i s LEU 86 CO 0.10 0.13 0.40 -1.38 0.02 0.00 0.00 176.35 175.62 2p8i s HIS 87 N -0.71 -0.29 0.66 0.29 -3.43 -0.50 -0.66 115.29 110.64 2p8i s HIS 87 Ca 0.05 0.48 -0.11 0.00 -0.80 0.00 0.00 55.06 54.68 2p8i s HIS 87 Cb -0.08 0.17 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 2p8i s HIS 87 CO 0.01 -0.44 1.05 -1.25 -2.00 0.00 0.00 174.74 172.11 2p8i s PRO 88 N -1.27 3.27 -0.30 -0.38 0.04 -1.26 -1.56 135.00 133.54 2p8i s PRO 88 Ca -0.13 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 61.69 2p8i s PRO 88 Cb -0.04 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2p8i s PRO 88 CO 0.06 -0.82 0.03 -0.80 0.04 0.00 0.00 177.00 175.51 2p8i s ASN 89 N -4.03 4.93 0.00 6.66 0.01 0.39 -4.84 114.94 118.06 2p8i s ASN 89 Ca 0.56 -1.01 0.05 0.00 -0.71 0.00 0.00 52.86 51.75 2p8i s ASN 89 Cb -0.12 -1.78 0.03 0.00 0.41 0.00 0.00 41.25 39.79 2p8i s ASN 89 CO 0.54 -0.23 0.61 0.35 -1.51 0.00 0.00 177.10 176.86 2p8i n THR 90 N 4.74 0.00 0.00 1.60 -2.24 -1.26 -0.61 114.28 116.51 2p8i n THR 90 Ca -0.14 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2p8i n THR 90 Cb 0.46 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.31 0.72 2.59 3.38 0.00 -1.26 -4.93 105.19 106.00 2p8i n GLY 91 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.94 3.42 0.15 1.61 -1.08 -1.26 -5.03 116.67 112.54 2p8i s ASP 92 Ca 0.00 -2.09 -0.16 0.00 -0.52 0.00 0.00 52.55 49.78 2p8i s ASP 92 Cb 0.00 -0.65 0.01 0.00 -1.46 0.00 0.00 42.92 40.82 2p8i s ASP 92 CO 0.00 -0.33 1.80 0.00 0.52 0.00 0.00 175.17 177.16 2p8i h ALA 93 N 7.31 0.50 -0.17 3.66 0.00 -1.97 0.24 119.26 128.83 2p8i h ALA 93 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2p8i h ALA 93 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2p8i h ALA 93 CO 0.38 -0.03 0.03 1.25 0.00 0.00 0.00 179.25 180.88 2p8i h LEU 94 N 0.53 0.28 -0.61 0.00 5.85 -1.95 -1.48 115.31 117.92 2p8i h LEU 94 Ca 0.14 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2p8i h LEU 94 Cb -0.04 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2p8i h LEU 94 CO -0.03 0.47 0.38 -0.09 -0.34 0.00 0.00 178.44 178.83 2p8i h ARG 95 N 0.07 0.73 -0.73 1.25 2.43 -1.92 0.87 114.38 117.09 2p8i h ARG 95 Ca 0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2p8i h ARG 95 Cb 0.32 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2p8i h ARG 95 CO 0.00 0.48 0.44 -0.44 -1.51 0.00 0.00 179.97 178.95 2p8i h ASP 96 N 0.75 0.87 0.02 -3.80 3.32 -0.74 0.17 116.42 117.01 2p8i h ASP 96 Ca 0.24 -0.06 -0.27 0.00 0.02 0.00 0.00 57.03 56.96 2p8i h ASP 96 Cb 0.00 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.36 2p8i h ASP 96 CO -0.09 0.67 -1.07 0.45 -1.72 0.00 0.00 179.24 177.48 2p8i h HIS 97 N 0.99 1.05 -0.10 4.55 3.86 -1.02 -1.77 115.15 122.71 2p8i h HIS 97 Ca 0.26 -0.58 -0.19 0.00 -1.16 0.00 0.00 60.37 58.70 2p8i h HIS 97 Cb -0.04 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 28.32 2p8i h HIS 97 CO -0.01 1.42 -0.69 -0.09 0.86 0.00 0.00 177.93 179.41 2p8i h ARG 98 N 0.38 0.65 0.00 2.45 2.43 -0.75 -3.36 114.38 116.18 2p8i h ARG 98 Ca -0.14 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 2p8i h ARG 98 Cb 1.72 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2p8i h ARG 98 CO 0.21 1.18 -1.22 -0.25 -1.51 0.00 0.00 179.97 178.38 2p8i n ASP 99 N -4.06 2.50 -0.98 -3.80 8.00 0.59 -4.68 116.55 114.12 2p8i n ASP 99 Ca -0.08 -0.13 0.02 0.00 0.71 0.00 0.00 54.79 55.31 2p8i n ASP 99 Cb 0.70 1.33 0.15 0.00 -0.02 0.00 0.00 41.12 43.28 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 -1.69 3.56 -1.97 2.24 0.00 -0.67 -5.03 120.51 116.95 2p8i n ALA 100 Ca -0.01 -3.18 -0.41 0.00 0.00 0.00 0.00 53.44 49.84 2p8i n ALA 100 Cb 0.21 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.73 3.42 0.09 0.00 0.00 -1.20 -4.28 121.76 117.06 2p8i s ALA 101 Ca 0.38 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.35 2p8i s ALA 101 Cb 0.38 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2p8i s ALA 101 CO -0.07 -0.31 -0.20 0.08 0.00 0.00 0.00 175.76 175.26 2p8i s VAL 102 N -0.40 1.60 -0.03 0.00 1.01 0.16 -5.01 120.40 117.73 2p8i s VAL 102 Ca 0.50 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2p8i s VAL 102 Cb -0.32 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2p8i s VAL 102 CO 0.38 -0.04 -0.00 0.26 0.00 0.00 0.00 175.10 175.69 2p8i s TRP 103 N -1.12 0.35 -0.36 5.22 0.52 -1.26 -0.21 118.94 122.08 2p8i s TRP 103 Ca 0.05 -0.02 -0.15 0.00 0.02 0.00 0.00 56.10 56.00 2p8i s TRP 103 Cb -0.10 -0.44 -0.00 0.00 -1.15 0.00 0.00 33.47 31.78 2p8i s TRP 103 CO 0.04 -0.14 0.37 0.42 0.02 0.00 0.00 176.95 177.65 2p8i s ILE 104 N 1.05 5.16 0.00 2.03 1.01 0.05 -4.78 121.20 125.72 2p8i s ILE 104 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2p8i s ILE 104 Cb -0.14 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2p8i s ILE 104 CO -0.02 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.37 2p8i n GLY 105 N 5.00 0.94 3.39 6.18 0.00 -1.26 -1.32 105.19 118.13 2p8i n GLY 105 Ca -0.09 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 2.46 0.54 1.61 3.76 -1.26 -5.06 115.29 117.34 2p8i s HIS 106 Ca 0.00 -0.33 -0.16 0.00 -0.15 0.00 0.00 55.06 54.42 2p8i s HIS 106 Cb 0.00 -1.47 -0.06 0.00 1.11 0.00 0.00 32.58 32.16 2p8i s HIS 106 CO 0.00 0.15 1.01 -1.54 -0.85 0.00 0.00 174.74 173.50 2p8i s SER 107 N -1.12 6.39 0.05 1.40 1.04 -1.26 -4.74 113.70 115.46 2p8i s SER 107 Ca 0.12 1.61 0.06 0.00 0.48 0.00 0.00 55.95 58.22 2p8i s SER 107 Cb -0.10 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 2p8i s SER 107 CO 0.02 -0.75 -0.17 -1.00 0.98 0.00 0.00 173.24 172.32 2p8i s HIS 108 N -2.65 1.48 -0.27 5.02 3.76 -1.26 -5.10 115.29 116.27 2p8i s HIS 108 Ca 0.59 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 2p8i s HIS 108 Cb -0.11 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 2p8i s HIS 108 CO 0.35 0.07 1.45 -1.21 -0.85 0.00 0.00 174.74 174.56 2p8i s GLU 109 N -1.28 3.85 0.57 1.40 0.41 -1.26 -5.00 118.70 117.40 2p8i s GLU 109 Ca 0.04 1.43 -0.16 0.00 -0.41 0.00 0.00 54.97 55.87 2p8i s GLU 109 Cb -0.09 -3.96 -0.05 0.00 -1.78 0.00 0.00 34.13 28.26 2p8i s GLU 109 CO 0.02 -1.22 1.04 -0.51 -0.49 0.00 0.00 175.26 174.10 2p8i s LEU 110 N 4.80 3.53 -1.42 1.80 1.43 -1.26 -4.67 118.68 122.89 2p8i s LEU 110 Ca 0.64 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.35 2p8i s LEU 110 Cb -0.20 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.56 2p8i s LEU 110 CO 0.26 -1.00 2.14 0.52 0.23 0.00 0.00 176.35 178.50 2p8i n VAL 111 N -1.90 3.66 0.24 -1.59 0.31 0.44 -4.74 118.33 114.75 2p8i n VAL 111 Ca 0.08 -3.35 0.08 0.00 -0.01 0.00 0.00 64.34 61.14 2p8i n VAL 111 Cb 0.53 -2.55 0.61 0.00 -0.91 0.00 0.00 33.84 31.52 2p8i n VAL 111 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2p8i h LEU 112 N 9.61 0.00 -2.29 7.52 3.38 -1.92 -1.59 115.31 130.02 2p8i h LEU 112 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2p8i h LEU 112 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2p8i h LEU 112 CO 1.82 0.14 0.00 0.77 0.09 0.00 0.00 178.44 181.26 2p8i h SER 113 N 0.00 0.00 0.88 -0.43 4.64 -1.97 -2.03 113.55 114.64 2p8i h SER 113 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p8i h SER 113 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2p8i h SER 113 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2p8i n ALA 114 N -2.02 2.01 -2.71 5.18 0.00 -0.60 -4.87 120.51 117.49 2p8i n ALA 114 Ca -0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2p8i n ALA 114 Cb 0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 2p8i n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p8i s LEU 115 N -3.49 4.10 0.00 0.00 1.43 -0.77 -4.87 118.68 115.08 2p8i s LEU 115 Ca 0.10 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2p8i s LEU 115 Cb 0.13 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 43.11 2p8i s LEU 115 CO 0.44 -0.21 0.00 -3.20 0.23 0.00 0.00 176.35 173.61