#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5l s ILE 4 N 0.00 4.61 -0.27 -0.18 1.01 -0.21 -4.52 121.20 121.63 2e5l s ILE 4 Ca 0.00 0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.76 2e5l s ILE 4 Cb 0.00 -4.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 2e5l s ILE 4 CO 0.00 -0.80 0.77 -0.60 0.00 0.00 0.00 174.94 174.31 2e5l s ARG 5 N 3.38 4.07 -0.24 2.79 3.52 -1.05 -2.71 118.95 128.72 2e5l s ARG 5 Ca 0.29 0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 56.59 2e5l s ARG 5 Cb -0.13 -3.68 0.03 0.00 -1.56 0.00 0.00 34.95 29.61 2e5l s ARG 5 CO 0.21 -0.57 -0.08 0.42 -0.81 0.00 0.00 175.30 174.47 2e5l s ILE 6 N 2.82 2.69 -0.10 4.11 1.01 -0.93 -2.85 121.20 127.96 2e5l s ILE 6 Ca 0.32 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 2e5l s ILE 6 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2e5l s ILE 6 CO 0.10 0.22 0.05 -0.75 0.00 0.00 0.00 174.94 174.55 2e5l s LYS 7 N 1.29 3.13 -0.27 2.79 2.20 -1.04 -0.89 119.74 126.96 2e5l s LYS 7 Ca -0.00 -0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2e5l s LYS 7 Cb -0.17 -2.93 0.08 0.00 -1.51 0.00 0.00 37.83 33.31 2e5l s LYS 7 CO -0.06 0.73 0.06 -0.51 -0.36 0.00 0.00 175.35 175.21 2e5l s LEU 8 N -0.95 2.05 -0.19 5.43 1.43 0.23 -3.10 118.68 123.58 2e5l s LEU 8 Ca 0.14 -1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 51.80 2e5l s LEU 8 Cb -0.12 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 2e5l s LEU 8 CO 0.03 -0.36 0.06 0.00 0.23 0.00 0.00 176.35 176.31 2e5l s ARG 9 N 1.64 3.95 0.25 1.70 1.70 -1.06 0.14 118.95 127.27 2e5l s ARG 9 Ca 0.05 -0.35 -0.18 0.00 -0.47 0.00 0.00 55.73 54.78 2e5l s ARG 9 Cb -0.17 -3.22 0.02 0.00 -0.57 0.00 0.00 34.95 31.00 2e5l s ARG 9 CO -0.18 0.24 0.60 0.20 -1.08 0.00 0.00 175.30 175.08 2e5l s GLY 10 N 0.46 0.07 -0.10 3.88 0.00 -0.88 -2.44 107.32 108.31 2e5l s GLY 10 Ca 0.03 -0.42 0.09 0.00 0.00 0.00 0.00 44.72 44.42 2e5l s GLY 10 CO 0.01 -0.28 0.44 0.69 0.00 0.00 0.00 173.10 173.96 2e5l n PHE 11 N -0.41 0.81 -3.80 1.90 0.99 -1.26 -0.98 117.46 114.71 2e5l n PHE 11 Ca -0.05 0.26 -0.36 0.00 -0.00 0.00 0.00 57.45 57.29 2e5l n PHE 11 Cb 0.61 -1.14 -0.12 0.00 -1.00 0.00 0.00 39.48 37.83 2e5l n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2e5l s ASP 12 N -6.18 5.26 0.52 4.37 2.15 -1.26 -4.81 116.67 116.72 2e5l s ASP 12 Ca -0.11 -0.15 0.34 0.00 0.43 0.00 0.00 52.55 53.06 2e5l s ASP 12 Cb 0.07 -1.94 1.54 0.00 -0.30 0.00 0.00 42.92 42.30 2e5l s ASP 12 CO 0.80 -0.00 2.02 1.12 -0.17 0.00 0.00 175.17 178.94 2e5l h HIS 13 N 7.99 0.00 0.11 -5.34 2.07 -1.97 -2.22 115.15 115.79 2e5l h HIS 13 Ca -0.37 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 56.87 2e5l h HIS 13 Cb 1.18 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.18 2e5l h HIS 13 CO 0.66 0.00 -1.14 0.87 -3.07 0.00 0.00 177.93 175.25 2e5l h LYS 14 N 0.00 0.57 -0.44 5.12 1.57 -1.99 -1.22 116.57 120.18 2e5l h LYS 14 Ca 0.00 -0.77 -0.05 0.00 -1.87 0.00 0.00 60.65 57.97 2e5l h LYS 14 Cb 0.35 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2e5l h LYS 14 CO 0.00 1.34 0.07 0.00 -0.57 0.00 0.00 179.45 180.29 2e5l h THR 15 N 0.17 1.21 0.08 -0.16 1.03 -1.88 -2.18 112.91 111.17 2e5l h THR 15 Ca -0.17 -0.78 -0.00 0.00 -0.01 0.00 0.00 66.41 65.44 2e5l h THR 15 Cb 1.83 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 2e5l h THR 15 CO 0.22 0.28 -0.04 -0.07 -0.01 0.00 0.00 175.52 175.90 2e5l h LEU 16 N 0.66 -0.09 -0.91 0.00 3.38 -1.47 -2.78 115.31 114.10 2e5l h LEU 16 Ca 0.14 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2e5l h LEU 16 Cb 0.30 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 2e5l h LEU 16 CO 0.00 0.52 -0.39 0.47 0.09 0.00 0.00 178.44 179.13 2e5l n ASP 17 N -4.81 -0.67 0.34 -0.43 8.00 -0.46 0.10 116.55 118.62 2e5l n ASP 17 Ca -0.05 1.59 -0.17 0.00 0.71 0.00 0.00 54.79 56.87 2e5l n ASP 17 Cb 0.18 -0.33 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 2e5l n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e5l h ALA 18 N 1.07 -0.83 -0.79 2.24 0.00 -1.52 0.78 119.26 120.21 2e5l h ALA 18 Ca 0.28 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2e5l h ALA 18 Cb 0.50 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2e5l h ALA 18 CO -0.89 -0.95 0.52 1.03 0.00 0.00 0.00 179.25 178.96 2e5l h SER 19 N -0.85 0.48 1.83 0.00 0.87 -0.92 1.05 113.55 116.00 2e5l h SER 19 Ca -0.08 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2e5l h SER 19 Cb 0.64 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2e5l h SER 19 CO 0.14 0.25 0.00 0.00 -0.53 0.00 0.00 176.83 176.69 2e5l h ALA 20 N 1.63 1.00 0.20 6.23 0.00 0.10 -2.86 119.26 125.55 2e5l h ALA 20 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.98 2e5l h ALA 20 Cb 0.79 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2e5l h ALA 20 CO -0.14 0.00 -1.50 0.37 0.00 0.00 0.00 179.25 177.98 2e5l h GLN 21 N 0.00 0.41 -0.56 0.00 4.15 0.32 -2.90 115.11 116.53 2e5l h GLN 21 Ca 0.00 -0.71 0.12 0.00 0.77 0.00 0.00 58.65 58.83 2e5l h GLN 21 Cb 0.91 0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 2e5l h GLN 21 CO 0.00 1.34 0.39 0.87 -1.93 0.00 0.00 178.83 179.50 2e5l h LYS 22 N 0.00 0.23 0.02 1.69 1.57 0.49 0.22 116.57 120.80 2e5l h LYS 22 Ca -0.29 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.24 2e5l h LYS 22 Cb 2.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.25 2e5l h LYS 22 CO 0.19 0.15 -1.25 0.82 -0.57 0.00 0.00 179.45 178.79 2e5l h ILE 23 N 0.23 1.42 -0.12 1.86 5.03 -1.61 -3.33 117.51 121.00 2e5l h ILE 23 Ca 0.27 -3.15 -0.21 0.00 -0.12 0.00 0.00 64.86 61.65 2e5l h ILE 23 Cb 0.74 2.74 0.00 0.00 -3.03 0.00 0.00 36.82 37.27 2e5l h ILE 23 CO -0.05 0.83 -0.75 0.58 -0.68 0.00 0.00 178.15 178.08 2e5l h VAL 24 N 0.01 1.32 0.61 1.67 2.07 -0.47 -3.28 116.25 118.19 2e5l h VAL 24 Ca -0.11 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 2e5l h VAL 24 Cb 1.87 2.04 0.01 0.00 -1.52 0.00 0.00 31.29 33.68 2e5l h VAL 24 CO 0.13 0.63 -0.29 -0.33 0.02 0.00 0.00 177.57 177.73 2e5l h GLU 25 N 0.42 -0.78 -0.21 1.57 5.08 -0.98 -3.17 114.58 116.51 2e5l h GLU 25 Ca -0.04 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2e5l h GLU 25 Cb 1.36 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2e5l h GLU 25 CO 0.14 -0.48 0.00 0.00 -1.00 0.00 0.00 179.01 177.67 2e5l n ALA 26 N -2.66 2.37 -0.08 3.43 0.00 -1.25 -3.10 120.51 119.22 2e5l n ALA 26 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 2e5l n ALA 26 Cb 0.34 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 2e5l n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5l n ALA 27 N -0.37 1.49 0.53 0.00 0.00 -1.20 -3.91 120.51 117.06 2e5l n ALA 27 Ca 0.00 -1.19 0.12 0.00 0.00 0.00 0.00 53.44 52.37 2e5l n ALA 27 Cb 0.05 -0.34 0.15 0.00 0.00 0.00 0.00 19.45 19.31 2e5l n ALA 27 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2e5l h ARG 28 N 0.00 0.00 -0.07 0.00 1.12 -1.58 0.74 114.38 114.59 2e5l h ARG 28 Ca -0.49 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.21 2e5l h ARG 28 Cb 2.18 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 32.13 2e5l h ARG 28 CO 0.04 0.00 -0.70 0.00 -3.11 0.00 0.00 179.97 176.20 2e5l h ARG 29 N 0.00 0.34 0.00 0.20 3.08 -1.71 -3.38 114.38 112.91 2e5l h ARG 29 Ca 0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2e5l h ARG 29 Cb 0.76 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2e5l h ARG 29 CO 0.00 0.91 0.00 0.43 -1.07 0.00 0.00 179.97 180.24 2e5l n SER 30 N -3.83 0.39 0.00 7.04 7.64 -1.25 -5.09 113.62 118.52 2e5l n SER 30 Ca -0.04 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2e5l n SER 30 Cb 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2e5l n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5l n GLY 31 N -0.03 3.86 3.18 0.23 0.00 0.25 -3.32 105.19 109.36 2e5l n GLY 31 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 2e5l n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5l s ALA 32 N -2.38 -0.54 0.00 4.61 0.00 -1.25 -4.83 121.76 117.37 2e5l s ALA 32 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2e5l s ALA 32 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2e5l s ALA 32 CO 0.00 -0.26 0.00 0.94 0.00 0.00 0.00 175.76 176.44 2e5l n GLN 33 N 1.21 0.00 -4.54 0.00 7.27 -1.26 -4.50 117.38 115.56 2e5l n GLN 33 Ca -0.21 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.52 2e5l n GLN 33 Cb 0.56 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.09 2e5l n GLN 33 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2e5l s VAL 34 N 0.00 3.63 -1.41 1.69 1.01 -1.26 -4.11 120.40 119.95 2e5l s VAL 34 Ca 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 61.98 61.65 2e5l s VAL 34 Cb 0.00 -2.56 0.22 0.00 0.00 0.00 0.00 36.38 34.04 2e5l s VAL 34 CO 0.00 0.52 1.33 -1.20 0.00 0.00 0.00 175.10 175.75 2e5l n SER 35 N 3.35 0.00 -0.42 3.32 7.64 -1.18 -5.00 113.62 121.33 2e5l n SER 35 Ca -0.18 0.12 0.06 0.00 1.01 0.00 0.00 58.87 59.88 2e5l n SER 35 Cb 0.53 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.41 2e5l n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5l n GLY 36 N -0.19 -1.99 3.72 0.23 0.00 -1.26 -4.86 105.19 100.83 2e5l n GLY 36 Ca 0.06 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2e5l n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e5l s PRO 37 N -2.14 4.63 -0.06 1.61 0.04 -1.25 -4.17 135.00 133.67 2e5l s PRO 37 Ca 0.00 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.46 2e5l s PRO 37 Cb 0.00 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.15 2e5l s PRO 37 CO 0.00 0.12 -0.07 0.96 0.04 0.00 0.00 177.00 178.05 2e5l s ILE 38 N 0.38 0.77 1.21 0.56 -4.36 0.43 -4.91 121.20 115.28 2e5l s ILE 38 Ca 0.48 -0.25 -0.18 0.00 -0.26 0.00 0.00 60.65 60.44 2e5l s ILE 38 Cb -0.22 -0.76 0.29 0.00 1.25 0.00 0.00 42.46 43.01 2e5l s ILE 38 CO 0.28 0.28 1.06 -2.16 0.24 0.00 0.00 174.94 174.65 2e5l s PRO 39 N 0.93 -1.29 0.00 0.37 0.04 -1.26 -1.60 135.00 132.19 2e5l s PRO 39 Ca -0.10 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2e5l s PRO 39 Cb -0.15 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2e5l s PRO 39 CO 0.01 -3.80 0.00 1.28 0.04 0.00 0.00 177.00 174.52 2e5l n LEU 40 N -4.87 0.15 -0.01 -3.56 4.77 -0.91 -4.83 117.00 107.74 2e5l n LEU 40 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2e5l n LEU 40 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2e5l n LEU 40 CO 0.48 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.89 2e5l n PRO 41 N -0.19 0.00 -3.33 3.23 -0.02 -1.26 -5.14 135.00 128.29 2e5l n PRO 41 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 2e5l n PRO 41 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 33.50 33.42 2e5l n PRO 41 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2e5l s THR 42 N -0.92 -0.16 -0.17 3.45 2.01 -1.26 -4.14 115.64 114.45 2e5l s THR 42 Ca 0.00 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2e5l s THR 42 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2e5l s THR 42 CO 0.00 0.00 0.15 -0.13 -0.69 0.00 0.00 174.62 173.95 2e5l s ARG 43 N 1.95 4.01 0.08 4.92 0.52 -1.12 -4.88 118.95 124.43 2e5l s ARG 43 Ca -0.02 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2e5l s ARG 43 Cb -0.02 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2e5l s ARG 43 CO -0.15 0.42 0.10 0.08 0.02 0.00 0.00 175.30 175.76 2e5l s VAL 44 N 0.01 4.65 -0.48 3.52 1.01 -1.26 -0.64 120.40 127.21 2e5l s VAL 44 Ca 0.11 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2e5l s VAL 44 Cb -0.11 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.15 2e5l s VAL 44 CO 0.00 0.13 0.23 -0.13 0.00 0.00 0.00 175.10 175.33 2e5l s ARG 45 N -2.41 1.76 0.67 2.72 1.81 -1.01 -4.92 118.95 117.57 2e5l s ARG 45 Ca 0.30 -2.39 -0.16 0.00 -1.72 0.00 0.00 55.73 51.76 2e5l s ARG 45 Cb -0.12 -3.08 0.01 0.00 -0.45 0.00 0.00 34.95 31.31 2e5l s ARG 45 CO 0.23 -1.10 1.17 1.03 -0.68 0.00 0.00 175.30 175.95 2e5l s ARG 46 N -0.01 2.59 -0.22 3.54 1.81 -1.26 -3.19 118.95 122.21 2e5l s ARG 46 Ca 0.16 1.65 -0.04 0.00 -1.72 0.00 0.00 55.73 55.78 2e5l s ARG 46 Cb -0.25 -1.90 0.08 0.00 -0.45 0.00 0.00 34.95 32.43 2e5l s ARG 46 CO -0.01 -1.47 0.12 -0.06 -0.68 0.00 0.00 175.30 173.20 2e5l s PHE 47 N -2.00 0.18 -0.65 -0.53 0.40 0.29 -4.94 117.98 110.73 2e5l s PHE 47 Ca 0.73 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.46 2e5l s PHE 47 Cb -0.26 -0.73 0.17 0.00 0.51 0.00 0.00 43.02 42.70 2e5l s PHE 47 CO 0.40 -0.65 0.57 0.99 0.70 0.00 0.00 175.22 177.23 2e5l s THR 48 N 2.15 4.99 0.24 0.64 2.01 -1.26 -1.21 115.64 123.19 2e5l s THR 48 Ca 0.05 -2.11 0.08 0.00 0.31 0.00 0.00 61.69 60.02 2e5l s THR 48 Cb -0.16 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2e5l s THR 48 CO -0.20 -0.91 0.07 -0.69 -0.69 0.00 0.00 174.62 172.19 2e5l s VAL 49 N 0.80 3.89 0.12 3.82 1.01 -0.91 -4.97 120.40 124.15 2e5l s VAL 49 Ca 0.11 -1.59 -0.20 0.00 0.00 0.00 0.00 61.98 60.30 2e5l s VAL 49 Cb -0.20 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 2e5l s VAL 49 CO -0.03 -0.29 0.62 -0.63 0.00 0.00 0.00 175.10 174.77 2e5l s ILE 50 N -2.10 4.66 0.01 2.22 1.01 -1.26 0.94 121.20 126.67 2e5l s ILE 50 Ca 0.31 1.28 -0.16 0.00 0.00 0.00 0.00 60.65 62.08 2e5l s ILE 50 Cb -0.08 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 2e5l s ILE 50 CO 0.21 0.48 0.98 0.03 0.00 0.00 0.00 174.94 176.64 2e5l h ARG 51 N 4.27 -0.56 -6.84 2.79 3.08 -1.86 -3.44 114.38 111.82 2e5l h ARG 51 Ca -0.49 0.04 -0.51 0.00 0.07 0.00 0.00 59.98 59.09 2e5l h ARG 51 Cb 1.21 0.13 0.04 0.00 0.08 0.00 0.00 29.97 31.42 2e5l h ARG 51 CO 0.64 -0.38 0.53 0.20 -1.07 0.00 0.00 179.97 179.90 2e5l s GLY 52 N -1.93 3.03 0.00 0.04 0.00 -1.26 -4.92 107.32 102.28 2e5l s GLY 52 Ca -0.09 1.03 0.24 0.00 0.00 0.00 0.00 44.72 45.90 2e5l s GLY 52 CO 0.26 1.64 1.82 -1.55 0.00 0.00 0.00 173.10 175.26 2e5l n PRO 53 N 1.00 0.80 0.00 2.90 -0.04 -1.26 -4.35 135.00 134.05 2e5l n PRO 53 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2e5l n PRO 53 Cb 0.44 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2e5l n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2e5l n PHE 54 N -0.97 0.00 0.00 0.54 7.35 -1.26 -5.05 117.46 118.07 2e5l n PHE 54 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 2e5l n PHE 54 Cb 0.08 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 39.71 2e5l n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2e5l n LYS 55 N -1.82 0.00 -3.23 -4.13 2.85 -1.26 -5.11 118.16 105.46 2e5l n LYS 55 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2e5l n LYS 55 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 2e5l n LYS 55 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2e5l s HIS 56 N 0.00 -0.44 0.35 5.58 0.09 -1.26 -5.01 115.29 114.59 2e5l s HIS 56 Ca 0.00 -0.97 0.09 0.00 -0.00 0.00 0.00 55.06 54.19 2e5l s HIS 56 Cb 0.00 -0.28 0.83 0.00 -0.00 0.00 0.00 32.58 33.13 2e5l s HIS 56 CO 0.00 -1.03 1.84 1.57 -0.00 0.00 0.00 174.74 177.12 2e5l h LYS 57 N 6.33 0.66 0.00 1.40 2.10 -1.99 -1.46 116.57 123.60 2e5l h LYS 57 Ca 0.10 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2e5l h LYS 57 Cb 1.05 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 2e5l h LYS 57 CO 0.18 0.43 0.00 -0.25 -2.00 0.00 0.00 179.45 177.82 2e5l n ASP 58 N -4.60 0.00 0.00 7.07 8.00 -1.26 -4.14 116.55 121.62 2e5l n ASP 58 Ca 0.19 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.91 2e5l n ASP 58 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2e5l n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2e5l n SER 59 N -0.68 0.00 -2.22 -2.24 7.64 -0.55 -5.08 113.62 110.49 2e5l n SER 59 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2e5l n SER 59 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2e5l n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e5l n ARG 60 N 0.00 -5.47 -4.14 1.43 1.74 -1.25 -4.77 116.66 104.20 2e5l n ARG 60 Ca 0.00 3.89 -0.36 0.00 -0.77 0.00 0.00 57.85 60.61 2e5l n ARG 60 Cb 0.00 -4.48 -0.08 0.00 -1.02 0.00 0.00 32.46 26.88 2e5l n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2e5l s GLU 61 N -0.55 3.30 -0.18 5.56 2.12 0.27 -4.76 118.70 124.45 2e5l s GLU 61 Ca 0.00 -0.30 -0.13 0.00 0.36 0.00 0.00 54.97 54.90 2e5l s GLU 61 Cb 0.00 -3.00 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 2e5l s GLU 61 CO 0.00 0.66 0.27 -1.01 -0.54 0.00 0.00 175.26 174.64 2e5l s HIS 62 N -0.74 3.42 0.00 5.30 3.76 -1.26 -2.15 115.29 123.62 2e5l s HIS 62 Ca 0.12 0.51 0.05 0.00 -0.15 0.00 0.00 55.06 55.60 2e5l s HIS 62 Cb -0.12 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.22 2e5l s HIS 62 CO 0.03 0.19 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.87 2e5l s PHE 63 N 0.66 1.49 0.34 1.40 0.40 -0.35 -4.97 117.98 116.95 2e5l s PHE 63 Ca 0.14 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 2e5l s PHE 63 Cb -0.13 -0.94 -0.07 0.00 0.51 0.00 0.00 43.02 42.40 2e5l s PHE 63 CO 0.04 0.00 0.04 -1.83 0.70 0.00 0.00 175.22 174.16 2e5l s GLU 64 N -0.62 1.72 -0.39 0.44 -1.05 -1.26 0.11 118.70 117.64 2e5l s GLU 64 Ca 0.06 -1.95 0.05 0.00 -0.15 0.00 0.00 54.97 52.98 2e5l s GLU 64 Cb -0.07 -1.08 0.17 0.00 -0.44 0.00 0.00 34.13 32.71 2e5l s GLU 64 CO 0.00 -0.13 0.50 -1.17 0.95 0.00 0.00 175.26 175.40 2e5l s LEU 65 N -3.54 -0.75 -0.06 1.83 0.20 -1.19 -4.91 118.68 110.26 2e5l s LEU 65 Ca 0.36 -1.22 -0.25 0.00 0.69 0.00 0.00 54.13 53.70 2e5l s LEU 65 Cb 0.09 1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 47.04 2e5l s LEU 65 CO 0.16 -0.22 0.78 0.00 -0.29 0.00 0.00 176.35 176.79 2e5l s ARG 66 N 1.61 4.46 -0.83 1.98 1.70 -1.26 -2.39 118.95 124.21 2e5l s ARG 66 Ca 0.17 1.03 -0.03 0.00 -0.47 0.00 0.00 55.73 56.43 2e5l s ARG 66 Cb -0.10 -3.46 0.21 0.00 -0.57 0.00 0.00 34.95 31.03 2e5l s ARG 66 CO -0.05 0.00 0.71 0.99 -1.08 0.00 0.00 175.30 175.87 2e5l s THR 67 N 0.97 4.34 0.77 4.99 2.01 0.19 -4.54 115.64 124.37 2e5l s THR 67 Ca 0.41 -3.55 -0.13 0.00 0.31 0.00 0.00 61.69 58.73 2e5l s THR 67 Cb -0.18 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.68 2e5l s THR 67 CO 0.20 -1.04 1.17 -1.00 -0.69 0.00 0.00 174.62 173.27 2e5l s HIS 68 N -0.95 2.05 -0.05 4.92 0.09 -0.15 -2.80 115.29 118.41 2e5l s HIS 68 Ca 0.24 1.64 0.01 0.00 -0.00 0.00 0.00 55.06 56.95 2e5l s HIS 68 Cb -0.11 -3.37 0.02 0.00 -0.00 0.00 0.00 32.58 29.13 2e5l s HIS 68 CO -0.10 -2.48 -0.05 -0.80 -0.00 0.00 0.00 174.74 171.31 2e5l s ASN 69 N -2.39 1.03 0.14 1.40 0.01 -1.26 -2.06 114.94 111.81 2e5l s ASN 69 Ca 0.70 -0.14 0.08 0.00 -0.71 0.00 0.00 52.86 52.79 2e5l s ASN 69 Cb -0.25 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 40.89 2e5l s ASN 69 CO 0.49 -0.05 -0.18 -0.13 -1.51 0.00 0.00 177.10 175.72 2e5l s ARG 70 N 0.92 1.17 -0.03 -0.60 1.81 0.12 -2.15 118.95 120.19 2e5l s ARG 70 Ca -0.11 -1.30 -0.02 0.00 -1.72 0.00 0.00 55.73 52.58 2e5l s ARG 70 Cb -0.14 -1.22 0.02 0.00 -0.45 0.00 0.00 34.95 33.15 2e5l s ARG 70 CO 0.00 0.26 0.08 -1.17 -0.68 0.00 0.00 175.30 173.79 2e5l s LEU 71 N -2.42 1.47 -0.14 2.53 1.98 -0.63 0.75 118.68 122.23 2e5l s LEU 71 Ca 0.11 0.17 -0.02 0.00 -2.89 0.00 0.00 54.13 51.50 2e5l s LEU 71 Cb -0.07 0.25 0.04 0.00 0.66 0.00 0.00 46.19 47.08 2e5l s LEU 71 CO 0.05 -0.06 0.02 -0.69 -1.89 0.00 0.00 176.35 173.78 2e5l s VAL 72 N 0.34 0.45 -0.01 1.68 1.01 -0.06 -0.43 120.40 123.38 2e5l s VAL 72 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2e5l s VAL 72 Cb -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2e5l s VAL 72 CO -0.01 0.02 0.17 -1.81 0.00 0.00 0.00 175.10 173.47 2e5l s ASP 73 N 1.92 6.28 -0.28 3.32 1.01 -1.26 -2.19 116.67 125.46 2e5l s ASP 73 Ca 0.02 0.32 -0.03 0.00 0.71 0.00 0.00 52.55 53.56 2e5l s ASP 73 Cb -0.15 -1.95 0.10 0.00 1.01 0.00 0.00 42.92 41.93 2e5l s ASP 73 CO -0.07 0.26 0.12 -0.63 0.21 0.00 0.00 175.17 175.06 2e5l s ILE 74 N -1.32 0.12 0.21 0.77 1.01 -1.10 -3.10 121.20 117.80 2e5l s ILE 74 Ca 0.27 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 2e5l s ILE 74 Cb -0.13 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 2e5l s ILE 74 CO 0.19 -0.67 0.46 -0.63 0.00 0.00 0.00 174.94 174.28 2e5l s ILE 75 N 2.01 5.09 -0.59 2.92 1.01 -1.26 -1.05 121.20 129.33 2e5l s ILE 75 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2e5l s ILE 75 Cb -0.16 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2e5l s ILE 75 CO -0.32 -0.13 0.54 0.59 0.00 0.00 0.00 174.94 175.62 2e5l n ASN 76 N -0.41 -5.85 -4.66 3.58 3.02 -1.26 -4.53 115.26 105.15 2e5l n ASN 76 Ca -0.02 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 53.92 2e5l n ASN 76 Cb 0.53 -3.98 -0.02 0.00 -0.61 0.00 0.00 39.78 35.70 2e5l n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2e5l s PRO 77 N -3.29 4.18 0.12 3.52 0.04 -1.26 -4.45 135.00 133.86 2e5l s PRO 77 Ca 0.10 1.65 0.07 0.00 0.04 0.00 0.00 61.00 62.86 2e5l s PRO 77 Cb -0.01 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2e5l s PRO 77 CO 0.53 -0.78 -0.06 1.21 0.04 0.00 0.00 177.00 177.93 2e5l s ASN 78 N 2.24 4.59 0.67 6.66 3.84 -1.26 -4.98 114.94 126.69 2e5l s ASN 78 Ca 0.57 -0.36 0.45 0.00 0.21 0.00 0.00 52.86 53.72 2e5l s ASN 78 Cb -0.22 -0.94 2.41 0.00 -0.55 0.00 0.00 41.25 41.96 2e5l s ASN 78 CO 0.17 0.15 2.37 0.03 -2.79 0.00 0.00 177.10 177.03 2e5l h ARG 79 N 3.32 0.00 0.01 0.43 2.47 -1.96 -1.64 114.38 117.01 2e5l h ARG 79 Ca -0.48 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.24 2e5l h ARG 79 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2e5l h ARG 79 CO 0.55 0.00 -0.01 -0.22 0.56 0.00 0.00 179.97 180.85 2e5l h LYS 80 N 0.00 -0.02 -0.52 0.04 1.63 -1.94 -3.22 116.57 112.54 2e5l h LYS 80 Ca 0.00 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 2e5l h LYS 80 Cb 0.02 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.57 2e5l h LYS 80 CO 0.00 0.55 0.01 1.15 -3.45 0.00 0.00 179.45 177.71 2e5l h THR 81 N -0.59 0.60 0.00 1.00 2.02 -1.30 0.75 112.91 115.39 2e5l h THR 81 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2e5l h THR 81 Cb 0.57 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2e5l h THR 81 CO 0.00 0.02 0.00 -0.38 0.37 0.00 0.00 175.52 175.54 2e5l n ILE 82 N -5.23 0.00 -0.12 3.11 5.41 -1.06 -2.39 119.36 119.09 2e5l n ILE 82 Ca 0.06 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.60 2e5l n ILE 82 Cb 0.28 -0.27 -0.07 0.00 -0.71 0.00 0.00 39.64 38.87 2e5l n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2e5l n GLU 83 N -0.21 0.56 -0.25 0.38 4.07 0.25 -3.77 120.64 121.68 2e5l n GLU 83 Ca 0.00 0.24 -0.04 0.00 -0.06 0.00 0.00 57.16 57.30 2e5l n GLU 83 Cb 0.03 -1.45 0.12 0.00 -0.06 0.00 0.00 31.44 30.09 2e5l n GLU 83 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2e5l h GLN 84 N -0.99 1.08 -0.89 5.31 1.08 -1.53 -2.34 115.11 116.84 2e5l h GLN 84 Ca -0.42 -0.18 -0.39 0.00 -1.45 0.00 0.00 58.65 56.21 2e5l h GLN 84 Cb 1.36 -0.19 -0.24 0.00 -0.05 0.00 0.00 27.48 28.37 2e5l h GLN 84 CO -0.25 0.87 0.50 1.28 -0.95 0.00 0.00 178.83 180.27 2e5l n LEU 85 N -4.30 6.48 -0.04 1.46 4.77 -1.05 -4.23 117.00 120.09 2e5l n LEU 85 Ca 0.07 -3.46 -0.02 0.00 -0.03 0.00 0.00 56.01 52.57 2e5l n LEU 85 Cb 0.17 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.45 2e5l n LEU 85 CO 0.40 0.96 -0.14 -0.03 -1.33 0.00 0.00 177.39 177.25 2e5l h MET 86 N 1.69 0.00 -1.97 3.23 4.05 -1.51 -3.45 114.93 116.98 2e5l h MET 86 Ca 0.49 0.00 -0.54 0.00 -0.28 0.00 0.00 59.70 59.37 2e5l h MET 86 Cb 2.66 0.00 -0.37 0.00 -0.80 0.00 0.00 31.60 33.09 2e5l h MET 86 CO 0.96 0.00 -1.02 2.41 0.23 0.00 0.00 176.91 179.49 2e5l n THR 87 N -3.75 -0.80 -2.32 -0.77 -1.04 -1.26 -4.91 114.28 99.42 2e5l n THR 87 Ca -0.03 -3.61 0.03 0.00 -2.04 0.00 0.00 64.05 58.40 2e5l n THR 87 Cb 0.10 -1.59 0.07 0.00 -1.82 0.00 0.00 70.33 67.09 2e5l n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2e5l n LEU 88 N 1.90 1.61 -4.93 -4.42 4.77 -1.26 -5.11 117.00 109.57 2e5l n LEU 88 Ca 0.23 -2.66 -0.26 0.00 -0.03 0.00 0.00 56.01 53.29 2e5l n LEU 88 Cb 0.52 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2e5l n LEU 88 CO 0.14 0.83 0.53 1.51 -1.33 0.00 0.00 177.39 179.07 2e5l s ASP 89 N -2.56 5.40 0.00 -1.43 -4.77 -1.26 -5.04 116.67 107.01 2e5l s ASP 89 Ca 0.35 0.58 0.00 0.00 -3.30 0.00 0.00 52.55 50.18 2e5l s ASP 89 Cb 0.38 -1.50 0.00 0.00 -1.09 0.00 0.00 42.92 40.71 2e5l s ASP 89 CO -0.12 -1.18 0.00 0.18 0.70 0.00 0.00 175.17 174.75 2e5l n LEU 90 N -2.62 0.00 -4.76 2.11 4.77 -1.26 -5.14 117.00 110.10 2e5l n LEU 90 Ca 0.05 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 2e5l n LEU 90 Cb 0.58 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2e5l n LEU 90 CO 0.52 0.00 0.80 -2.16 -1.33 0.00 0.00 177.39 175.22 2e5l s PRO 91 N -1.00 2.95 -0.07 3.23 0.04 -1.26 -5.01 135.00 133.89 2e5l s PRO 91 Ca 0.00 1.67 0.12 0.00 0.04 0.00 0.00 61.00 62.83 2e5l s PRO 91 Cb 0.00 -1.94 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 2e5l s PRO 91 CO 0.00 -1.18 0.16 2.41 0.04 0.00 0.00 177.00 178.43 2e5l n THR 92 N -1.80 0.40 -1.51 1.26 -1.04 -1.26 -4.59 114.28 105.75 2e5l n THR 92 Ca 0.12 -0.40 -0.24 0.00 -2.04 0.00 0.00 64.05 61.50 2e5l n THR 92 Cb 0.51 -0.23 0.11 0.00 -1.82 0.00 0.00 70.33 68.89 2e5l n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2e5l n GLY 93 N 2.01 5.57 3.10 3.41 0.00 -1.26 -4.97 105.19 113.06 2e5l n GLY 93 Ca -0.11 -1.96 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 2e5l n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e5l s VAL 94 N -4.18 1.16 -0.02 1.61 1.01 -1.26 -4.03 120.40 114.69 2e5l s VAL 94 Ca 0.56 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2e5l s VAL 94 Cb 0.46 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2e5l s VAL 94 CO 0.02 0.33 -0.19 -0.70 0.00 0.00 0.00 175.10 174.57 2e5l s GLU 95 N -0.16 2.28 0.07 2.72 2.12 -1.02 -5.05 118.70 119.66 2e5l s GLU 95 Ca 0.02 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.57 2e5l s GLU 95 Cb -0.08 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.06 2e5l s GLU 95 CO 0.00 0.58 -0.15 0.42 -0.54 0.00 0.00 175.26 175.58 2e5l s ILE 96 N -0.74 1.16 -0.11 -3.70 1.01 -1.26 -2.56 121.20 115.00 2e5l s ILE 96 Ca 0.12 -1.31 -0.06 0.00 0.00 0.00 0.00 60.65 59.39 2e5l s ILE 96 Cb -0.10 -1.11 0.04 0.00 0.01 0.00 0.00 42.46 41.30 2e5l s ILE 96 CO 0.01 -0.20 0.26 -1.61 0.00 0.00 0.00 174.94 173.40 2e5l s GLU 97 N -1.72 0.24 0.02 2.79 0.41 -1.18 -5.05 118.70 114.21 2e5l s GLU 97 Ca -0.01 0.52 0.08 0.00 -0.41 0.00 0.00 54.97 55.15 2e5l s GLU 97 Cb -0.10 -0.06 -0.02 0.00 -1.78 0.00 0.00 34.13 32.17 2e5l s GLU 97 CO 0.02 -0.14 -0.24 0.42 -0.49 0.00 0.00 175.26 174.84 2e5l s ILE 98 N 1.06 1.92 -0.09 -1.63 1.01 -1.26 -2.51 121.20 119.70 2e5l s ILE 98 Ca -0.08 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.34 2e5l s ILE 98 Cb -0.09 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.80 2e5l s ILE 98 CO -0.07 0.38 0.17 -0.54 0.00 0.00 0.00 174.94 174.88 2e5l s LYS 99 N -0.98 0.06 0.00 2.79 1.02 -1.13 -5.03 119.74 116.47 2e5l s LYS 99 Ca 0.10 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.63 2e5l s LYS 99 Cb -0.09 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 2e5l s LYS 99 CO 0.01 -0.27 0.51 -2.37 -0.92 0.00 0.00 175.35 172.31