#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5l s ILE 3 N 0.00 2.10 0.22 4.25 1.09 -1.26 -5.02 121.20 122.58 2e5l s ILE 3 Ca 0.00 0.09 0.09 0.00 -1.10 0.00 0.00 60.65 59.73 2e5l s ILE 3 Cb 0.00 -3.06 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 2e5l s ILE 3 CO 0.00 0.02 -0.05 0.42 -0.10 0.00 0.00 174.94 175.22 2e5l s THR 4 N -1.17 3.33 0.23 2.92 -4.23 -1.26 -5.00 115.64 110.45 2e5l s THR 4 Ca 0.58 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 59.26 2e5l s THR 4 Cb -0.44 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 70.88 2e5l s THR 4 CO 0.58 -0.23 1.73 0.11 -0.54 0.00 0.00 174.62 176.27 2e5l h LYS 5 N 2.45 0.39 -0.54 3.99 1.57 -1.98 0.58 116.57 123.03 2e5l h LYS 5 Ca -0.45 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.38 2e5l h LYS 5 Cb 1.22 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 33.35 2e5l h LYS 5 CO 0.57 0.26 -0.47 0.93 -0.57 0.00 0.00 179.45 180.17 2e5l h GLU 6 N 0.40 -0.26 -0.19 3.15 4.39 -2.00 0.60 114.58 120.67 2e5l h GLU 6 Ca 0.37 0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.92 2e5l h GLU 6 Cb 0.54 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2e5l h GLU 6 CO -0.38 -0.17 -0.56 0.93 -1.16 0.00 0.00 179.01 177.66 2e5l h GLU 7 N -0.27 0.57 0.22 2.33 4.39 -1.76 -3.19 114.58 116.86 2e5l h GLU 7 Ca 0.15 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2e5l h GLU 7 Cb 0.57 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2e5l h GLU 7 CO -0.66 0.98 -0.10 -0.22 -1.16 0.00 0.00 179.01 177.84 2e5l h LYS 8 N 0.44 -0.28 0.00 2.33 3.64 -0.21 -2.74 116.57 119.74 2e5l h LYS 8 Ca 0.01 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2e5l h LYS 8 Cb 1.11 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2e5l h LYS 8 CO 0.11 0.03 -0.01 1.96 -2.27 0.00 0.00 179.45 179.26 2e5l h GLN 9 N -0.60 0.00 -0.72 1.90 4.20 -1.01 0.01 115.11 118.89 2e5l h GLN 9 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2e5l h GLN 9 Cb 0.44 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2e5l h GLN 9 CO 0.05 0.01 0.33 -0.22 -0.67 0.00 0.00 178.83 178.33 2e5l h LYS 10 N 0.00 1.04 -0.60 1.46 3.64 -1.49 -0.93 116.57 119.69 2e5l h LYS 10 Ca -0.00 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 2e5l h LYS 10 Cb 0.03 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2e5l h LYS 10 CO 0.00 0.83 0.07 0.28 -2.27 0.00 0.00 179.45 178.36 2e5l h VAL 11 N 1.01 1.26 1.00 2.00 2.07 -0.72 -1.72 116.25 121.15 2e5l h VAL 11 Ca 0.24 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 2e5l h VAL 11 Cb 0.14 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2e5l h VAL 11 CO -0.03 0.38 -0.49 0.40 0.02 0.00 0.00 177.57 177.86 2e5l h ILE 12 N 0.91 0.00 -1.04 4.57 2.04 -0.94 -1.99 117.51 121.06 2e5l h ILE 12 Ca 0.18 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.33 2e5l h ILE 12 Cb 0.47 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 2e5l h ILE 12 CO 0.02 0.00 0.73 1.56 0.00 0.00 0.00 178.15 180.45 2e5l h GLN 13 N -1.35 0.13 0.00 2.37 4.20 -1.15 0.90 115.11 120.21 2e5l h GLN 13 Ca -0.14 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 2e5l h GLN 13 Cb 1.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2e5l h GLN 13 CO 0.22 0.08 -0.30 1.49 -0.67 0.00 0.00 178.83 179.66 2e5l h GLU 14 N 0.13 0.00 0.00 1.46 4.57 -0.59 -3.36 114.58 116.79 2e5l h GLU 14 Ca 0.52 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.61 2e5l h GLU 14 Cb 1.83 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.40 2e5l h GLU 14 CO -0.09 0.30 -1.38 1.19 -1.18 0.00 0.00 179.01 177.85 2e5l n PHE 15 N -3.52 0.00 -1.46 0.92 3.01 0.28 -5.06 117.46 111.63 2e5l n PHE 15 Ca -0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.99 2e5l n PHE 15 Cb 0.45 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 2e5l n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2e5l n ALA 16 N -2.17 -2.01 0.02 4.37 0.00 0.36 -4.75 120.51 116.33 2e5l n ALA 16 Ca -0.09 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.70 2e5l n ALA 16 Cb 0.64 -1.75 0.08 0.00 0.00 0.00 0.00 19.45 18.42 2e5l n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5l h ARG 17 N 1.37 0.49 -3.53 0.00 2.47 -1.91 -3.46 114.38 109.81 2e5l h ARG 17 Ca -0.32 -0.30 -0.14 0.00 -1.26 0.00 0.00 59.98 57.95 2e5l h ARG 17 Cb 1.41 0.03 -0.20 0.00 -1.65 0.00 0.00 29.97 29.56 2e5l h ARG 17 CO 0.58 0.90 -0.49 -0.59 0.56 0.00 0.00 179.97 180.93 2e5l s PHE 18 N -3.99 0.05 0.34 3.04 -0.12 -1.26 -5.14 117.98 110.90 2e5l s PHE 18 Ca -0.07 -0.16 -0.28 0.00 -0.05 0.00 0.00 56.93 56.38 2e5l s PHE 18 Cb 0.12 -0.05 -0.12 0.00 -0.63 0.00 0.00 43.02 42.33 2e5l s PHE 18 CO 0.83 -0.29 1.22 -2.30 -0.05 0.00 0.00 175.22 174.62 2e5l n PRO 19 N 1.40 1.92 -1.52 1.99 -0.02 -1.26 -2.98 135.00 134.53 2e5l n PRO 19 Ca -0.23 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2e5l n PRO 19 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2e5l n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2e5l n GLY 20 N 0.88 0.45 3.28 -1.23 0.00 -1.26 -5.06 105.19 102.25 2e5l n GLY 20 Ca 0.06 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 2e5l n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e5l s ASP 21 N -2.94 3.85 0.00 1.61 -1.08 -1.16 -5.01 116.67 111.94 2e5l s ASP 21 Ca 0.00 -0.44 0.09 0.00 -0.52 0.00 0.00 52.55 51.68 2e5l s ASP 21 Cb 0.00 -1.62 0.19 0.00 -1.46 0.00 0.00 42.92 40.04 2e5l s ASP 21 CO 0.00 0.05 1.06 0.35 0.52 0.00 0.00 175.17 177.15 2e5l n THR 22 N 4.28 0.62 -3.20 1.71 -2.24 -1.26 -4.87 114.28 109.33 2e5l n THR 22 Ca -0.19 -0.81 0.01 0.00 -2.27 0.00 0.00 64.05 60.79 2e5l n THR 22 Cb 0.51 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 2e5l n THR 22 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2e5l s GLY 23 N -0.92 -1.15 0.04 3.38 0.00 -1.26 -4.95 107.32 102.46 2e5l s GLY 23 Ca 0.17 0.52 -0.07 0.00 0.00 0.00 0.00 44.72 45.34 2e5l s GLY 23 CO 0.13 3.58 0.13 -0.56 0.00 0.00 0.00 173.10 176.38 2e5l s SER 24 N 2.30 0.13 0.22 1.64 0.01 -1.26 -4.99 113.70 111.76 2e5l s SER 24 Ca 0.13 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 2e5l s SER 24 Cb -0.08 0.25 0.21 0.00 0.21 0.00 0.00 66.02 66.61 2e5l s SER 24 CO -0.17 -0.53 1.55 0.74 0.41 0.00 0.00 173.24 175.25 2e5l h THR 25 N 3.58 0.01 -0.60 1.44 2.02 -2.00 0.81 112.91 118.17 2e5l h THR 25 Ca -0.32 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.95 2e5l h THR 25 Cb 1.19 0.01 -0.11 0.00 -1.74 0.00 0.00 68.15 67.50 2e5l h THR 25 CO 0.50 0.00 -0.39 -0.33 0.37 0.00 0.00 175.52 175.67 2e5l h GLU 26 N -0.01 -0.18 0.32 6.66 3.07 -1.97 0.37 114.58 122.84 2e5l h GLU 26 Ca 0.33 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 2e5l h GLU 26 Cb 0.58 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2e5l h GLU 26 CO -0.96 -0.12 -0.15 0.28 -1.40 0.00 0.00 179.01 176.65 2e5l h VAL 27 N -0.19 0.70 -0.56 3.13 2.07 -0.63 -0.67 116.25 120.11 2e5l h VAL 27 Ca 0.21 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.63 2e5l h VAL 27 Cb 0.56 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 31.04 2e5l h VAL 27 CO -0.70 0.04 -0.29 1.56 0.02 0.00 0.00 177.57 178.21 2e5l h GLN 28 N -0.54 -0.14 0.06 1.57 4.20 0.19 0.26 115.11 120.71 2e5l h GLN 28 Ca -0.04 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2e5l h GLN 28 Cb 0.40 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2e5l h GLN 28 CO 0.07 -0.09 -0.03 0.28 -0.67 0.00 0.00 178.83 178.39 2e5l h VAL 29 N -0.15 1.11 -0.71 -0.54 2.07 -0.26 -2.60 116.25 115.18 2e5l h VAL 29 Ca 0.24 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.30 2e5l h VAL 29 Cb 0.53 1.47 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 2e5l h VAL 29 CO -0.64 0.14 -0.49 0.00 0.02 0.00 0.00 177.57 176.60 2e5l h ALA 30 N 0.61 -0.39 -0.50 1.67 0.00 0.13 -0.53 119.26 120.24 2e5l h ALA 30 Ca -0.01 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2e5l h ALA 30 Cb 0.29 1.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2e5l h ALA 30 CO 0.01 -0.87 0.10 -0.07 0.00 0.00 0.00 179.25 178.42 2e5l h LEU 31 N -0.17 -0.01 0.38 0.00 4.07 -0.90 -2.04 115.31 116.64 2e5l h LEU 31 Ca 0.18 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 2e5l h LEU 31 Cb 0.54 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 2e5l h LEU 31 CO -0.77 0.02 -0.52 -0.07 -1.08 0.00 0.00 178.44 176.02 2e5l h LEU 32 N 0.23 -1.47 -1.47 1.67 3.38 -0.72 -0.98 115.31 115.95 2e5l h LEU 32 Ca 0.25 0.13 0.43 0.00 0.09 0.00 0.00 57.88 58.78 2e5l h LEU 32 Cb 0.34 0.51 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 2e5l h LEU 32 CO -0.33 -0.64 0.88 0.74 0.09 0.00 0.00 178.44 179.18 2e5l h THR 33 N -0.94 0.16 0.11 0.22 2.02 -0.66 0.57 112.91 114.38 2e5l h THR 33 Ca -0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2e5l h THR 33 Cb 0.85 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2e5l h THR 33 CO -0.14 0.02 -0.08 0.25 0.37 0.00 0.00 175.52 175.94 2e5l h LEU 34 N 0.10 -0.20 -0.83 2.58 6.46 -0.79 0.09 115.31 122.72 2e5l h LEU 34 Ca 0.80 0.01 0.20 0.00 -0.12 0.00 0.00 57.88 58.77 2e5l h LEU 34 Cb 2.57 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 42.43 2e5l h LEU 34 CO -0.36 -0.11 0.27 0.03 -0.62 0.00 0.00 178.44 177.65 2e5l h ARG 35 N -0.17 0.30 0.70 1.25 3.08 0.25 0.14 114.38 119.93 2e5l h ARG 35 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2e5l h ARG 35 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2e5l h ARG 35 CO 0.01 0.20 -0.48 0.82 -1.07 0.00 0.00 179.97 179.45 2e5l h ILE 36 N 0.31 0.05 -0.39 2.04 2.04 -0.74 1.05 117.51 121.86 2e5l h ILE 36 Ca 0.50 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.43 2e5l h ILE 36 Cb 0.92 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 2e5l h ILE 36 CO -0.55 0.00 -0.06 0.78 0.00 0.00 0.00 178.15 178.32 2e5l h ASN 37 N -1.12 -0.29 -0.86 1.72 -0.26 0.22 0.80 115.58 115.80 2e5l h ASN 37 Ca -0.09 0.11 0.14 0.00 -0.56 0.00 0.00 56.30 55.90 2e5l h ASN 37 Cb 0.92 0.21 -0.09 0.00 -1.06 0.00 0.00 38.32 38.30 2e5l h ASN 37 CO 0.06 -0.10 0.46 0.03 -1.06 0.00 0.00 177.43 176.82 2e5l h ARG 38 N 0.03 0.65 0.52 0.81 2.47 -0.34 -1.24 114.38 117.29 2e5l h ARG 38 Ca 0.19 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 2e5l h ARG 38 Cb 0.28 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2e5l h ARG 38 CO -0.37 0.43 -0.25 1.25 0.56 0.00 0.00 179.97 181.59 2e5l h LEU 39 N 0.67 -0.59 -0.70 3.04 6.46 0.41 -2.77 115.31 121.84 2e5l h LEU 39 Ca 0.46 -0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.22 2e5l h LEU 39 Cb 0.60 0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 40.59 2e5l h LEU 39 CO -0.34 -0.23 -0.57 0.28 -0.62 0.00 0.00 178.44 176.96 2e5l h SER 40 N -1.00 -2.01 -1.00 1.25 0.02 0.12 0.51 113.55 111.42 2e5l h SER 40 Ca -0.07 0.29 0.24 0.00 -0.84 0.00 0.00 61.79 61.41 2e5l h SER 40 Cb 0.62 0.86 -0.09 0.00 0.14 0.00 0.00 62.40 63.93 2e5l h SER 40 CO 0.12 -0.32 0.65 -0.08 -1.14 0.00 0.00 176.83 176.05 2e5l h GLU 41 N -0.21 0.42 0.00 3.45 4.57 -1.28 1.34 114.58 122.88 2e5l h GLU 41 Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2e5l h GLU 41 Cb 0.51 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2e5l h GLU 41 CO -0.76 0.28 0.00 1.58 -1.18 0.00 0.00 179.01 178.93 2e5l n HIS 42 N -4.61 0.59 1.10 0.92 -0.00 0.16 -2.80 115.22 110.58 2e5l n HIS 42 Ca 0.24 0.19 0.12 0.00 0.46 0.00 0.00 57.72 58.72 2e5l n HIS 42 Cb 0.80 -0.80 0.15 0.00 -0.12 0.00 0.00 29.99 30.01 2e5l n HIS 42 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2e5l n LEU 43 N -2.00 1.87 0.09 0.27 4.77 0.46 -3.62 117.00 118.84 2e5l n LEU 43 Ca 0.05 -0.65 -0.07 0.00 -0.03 0.00 0.00 56.01 55.32 2e5l n LEU 43 Cb 0.35 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2e5l n LEU 43 CO 0.26 0.34 0.37 0.11 -1.33 0.00 0.00 177.39 177.14 2e5l h LYS 44 N 2.43 0.20 -6.16 3.23 1.57 -1.30 -3.37 116.57 113.16 2e5l h LYS 44 Ca 0.00 -0.17 -0.51 0.00 -1.87 0.00 0.00 60.65 58.10 2e5l h LYS 44 Cb 0.71 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 2e5l h LYS 44 CO 0.00 0.85 -0.46 0.08 -0.57 0.00 0.00 179.45 179.35 2e5l s VAL 45 N -3.47 3.29 -1.16 0.50 1.01 -1.24 -4.60 120.40 114.72 2e5l s VAL 45 Ca -0.03 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.44 2e5l s VAL 45 Cb 0.11 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2e5l s VAL 45 CO 0.81 -0.15 0.85 1.41 0.00 0.00 0.00 175.10 178.02 2e5l n HIS 46 N -1.33 -2.16 1.27 5.22 8.25 -1.26 -4.81 115.22 120.40 2e5l n HIS 46 Ca -0.02 0.80 0.13 0.00 -0.26 0.00 0.00 57.72 58.37 2e5l n HIS 46 Cb 0.60 -4.27 0.66 0.00 1.12 0.00 0.00 29.99 28.11 2e5l n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e5l n LYS 47 N -3.86 0.43 0.00 -0.41 5.02 -1.26 -2.83 118.16 115.25 2e5l n LYS 47 Ca -0.18 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.28 2e5l n LYS 47 Cb 0.64 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.62 2e5l n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2e5l n LYS 48 N -1.25 1.29 -2.29 1.97 5.02 -1.26 -4.62 118.16 117.02 2e5l n LYS 48 Ca 0.13 -0.74 -0.43 0.00 -2.02 0.00 0.00 58.31 55.26 2e5l n LYS 48 Cb 0.19 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2e5l n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2e5l n ASP 49 N -0.21 4.92 0.27 4.39 -0.08 -1.13 -4.74 116.55 119.98 2e5l n ASP 49 Ca 0.16 -3.06 0.15 0.00 -1.51 0.00 0.00 54.79 50.53 2e5l n ASP 49 Cb 0.35 -1.51 0.76 0.00 2.34 0.00 0.00 41.12 43.05 2e5l n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 2e5l h HIS 50 N 5.89 0.00 0.41 -0.67 3.86 -1.89 -2.46 115.15 120.29 2e5l h HIS 50 Ca 0.42 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.61 2e5l h HIS 50 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2e5l h HIS 50 CO 1.27 0.08 -0.20 0.45 0.86 0.00 0.00 177.93 180.40 2e5l h HIS 51 N 0.00 -0.51 0.00 2.45 3.86 -1.99 -2.53 115.15 116.43 2e5l h HIS 51 Ca -0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2e5l h HIS 51 Cb 0.40 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 2e5l h HIS 51 CO 0.00 -0.19 -0.03 0.77 0.86 0.00 0.00 177.93 179.34 2e5l h SER 52 N -0.97 0.00 0.36 2.45 0.02 -1.95 -0.68 113.55 112.79 2e5l h SER 52 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2e5l h SER 52 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2e5l h SER 52 CO 0.09 0.03 -0.05 -0.74 -1.14 0.00 0.00 176.83 175.02 2e5l h HIS 53 N 0.00 0.00 0.21 3.45 6.17 -1.01 -2.26 115.15 121.71 2e5l h HIS 53 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 2e5l h HIS 53 Cb 0.10 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.03 2e5l h HIS 53 CO 0.00 0.05 -0.10 -0.09 0.71 0.00 0.00 177.93 178.50 2e5l h ARG 54 N 0.00 -0.27 -1.59 5.26 2.43 -0.97 -2.94 114.38 116.30 2e5l h ARG 54 Ca -0.00 0.02 0.51 0.00 -0.81 0.00 0.00 59.98 59.70 2e5l h ARG 54 Cb 0.25 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.74 2e5l h ARG 54 CO 0.01 -0.18 1.07 0.78 -1.51 0.00 0.00 179.97 180.14 2e5l h GLY 55 N -0.71 0.90 0.71 2.80 0.00 -1.52 1.02 103.07 106.27 2e5l h GLY 55 Ca -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2e5l h GLY 55 CO 0.05 -0.32 -0.34 -2.00 0.00 0.00 0.00 176.54 173.93 2e5l h LEU 56 N 0.01 -0.81 -0.82 3.11 5.85 -1.42 0.61 115.31 121.84 2e5l h LEU 56 Ca 0.90 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.85 2e5l h LEU 56 Cb 3.15 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 44.27 2e5l h LEU 56 CO -0.31 -0.54 0.24 -0.07 -0.34 0.00 0.00 178.44 177.42 2e5l h LEU 57 N -1.05 0.07 -0.27 2.25 4.07 0.12 0.14 115.31 120.63 2e5l h LEU 57 Ca -0.10 0.17 0.06 0.00 0.08 0.00 0.00 57.88 58.09 2e5l h LEU 57 Cb 0.74 0.21 -0.06 0.00 1.08 0.00 0.00 40.66 42.63 2e5l h LEU 57 CO 0.16 -0.07 -0.09 0.24 -1.08 0.00 0.00 178.44 177.60 2e5l h MET 58 N 0.28 -0.03 0.48 1.13 2.86 -0.67 0.77 114.93 119.74 2e5l h MET 58 Ca 0.49 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.12 2e5l h MET 58 Cb 0.92 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2e5l h MET 58 CO -0.57 -0.02 -0.35 0.52 1.06 0.00 0.00 176.91 177.55 2e5l h MET 59 N -0.03 -0.79 -0.99 1.72 2.86 0.12 0.14 114.93 117.97 2e5l h MET 59 Ca 0.14 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.98 2e5l h MET 59 Cb 0.24 0.18 -0.09 0.00 0.06 0.00 0.00 31.60 31.99 2e5l h MET 59 CO -0.30 -0.53 0.62 0.28 1.06 0.00 0.00 176.91 178.04 2e5l h VAL 60 N -0.82 0.83 -0.10 -2.22 2.07 -0.26 0.25 116.25 116.01 2e5l h VAL 60 Ca -0.05 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2e5l h VAL 60 Cb 0.69 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2e5l h VAL 60 CO 0.01 0.16 -0.09 1.23 0.02 0.00 0.00 177.57 178.91 2e5l h GLY 61 N 0.86 -0.01 0.95 2.17 0.00 0.19 -2.00 103.07 105.24 2e5l h GLY 61 Ca 0.51 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.94 2e5l h GLY 61 CO -0.29 -0.10 -0.13 -1.61 0.00 0.00 0.00 176.54 174.41 2e5l h GLN 62 N -0.10 -0.33 -0.50 4.80 5.75 0.20 -1.02 115.11 123.91 2e5l h GLN 62 Ca 0.07 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 2e5l h GLN 62 Cb 0.20 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.75 2e5l h GLN 62 CO -0.16 -0.22 -0.48 -0.09 -2.65 0.00 0.00 178.83 175.23 2e5l h ARG 63 N -0.34 -0.22 0.00 1.69 2.43 -0.32 0.26 114.38 117.88 2e5l h ARG 63 Ca -0.02 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2e5l h ARG 63 Cb 0.28 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2e5l h ARG 63 CO 0.03 -0.15 -0.10 0.07 -1.51 0.00 0.00 179.97 178.31 2e5l h ARG 64 N -0.23 0.00 -0.41 0.20 0.11 -1.19 0.89 114.38 113.74 2e5l h ARG 64 Ca 0.08 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.14 2e5l h ARG 64 Cb 0.45 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 2e5l h ARG 64 CO -0.59 0.10 0.14 -0.09 0.10 0.00 0.00 179.97 179.62 2e5l h ARG 65 N 0.00 0.59 0.01 0.08 9.65 0.87 -1.58 114.38 124.00 2e5l h ARG 65 Ca -0.00 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2e5l h ARG 65 Cb 0.25 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2e5l h ARG 65 CO 0.01 0.51 -0.05 -0.07 2.80 0.00 0.00 179.97 183.18 2e5l h LEU 66 N 0.58 0.03 -1.66 3.80 3.38 0.01 -3.16 115.31 118.29 2e5l h LEU 66 Ca 0.14 -0.94 0.13 0.00 0.09 0.00 0.00 57.88 57.30 2e5l h LEU 66 Cb 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2e5l h LEU 66 CO -0.01 0.97 0.45 -0.07 0.09 0.00 0.00 178.44 179.87 2e5l h LEU 67 N -0.91 0.33 -1.13 1.67 3.38 -1.34 1.44 115.31 118.76 2e5l h LEU 67 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2e5l h LEU 67 Cb 0.98 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2e5l h LEU 67 CO 0.01 0.18 0.47 -0.09 0.09 0.00 0.00 178.44 179.10 2e5l h ARG 68 N 0.36 1.07 -0.16 1.13 2.43 -1.30 0.21 114.38 118.12 2e5l h ARG 68 Ca 0.32 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2e5l h ARG 68 Cb 0.74 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2e5l h ARG 68 CO -0.09 0.75 -0.03 -0.92 -1.51 0.00 0.00 179.97 178.18 2e5l h TYR 69 N 1.08 0.23 0.03 2.20 3.20 0.19 -2.22 116.97 121.69 2e5l h TYR 69 Ca 0.28 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2e5l h TYR 69 Cb -0.04 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2e5l h TYR 69 CO 0.00 0.27 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.71 2e5l h LEU 70 N 0.23 -0.03 -0.52 2.82 -0.00 0.10 -2.33 115.31 115.58 2e5l h LEU 70 Ca 0.05 -0.51 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2e5l h LEU 70 Cb 0.21 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2e5l h LEU 70 CO 0.01 0.50 0.12 1.67 -0.00 0.00 0.00 178.44 180.74 2e5l n GLN 71 N -4.85 0.05 0.00 1.13 7.27 -0.44 -2.25 117.38 118.30 2e5l n GLN 71 Ca -0.09 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.48 2e5l n GLN 71 Cb 0.27 -1.79 0.00 0.00 2.41 0.00 0.00 30.24 31.13 2e5l n GLN 71 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2e5l n ARG 72 N -1.74 0.00 0.00 3.69 0.63 -0.91 -4.67 116.66 113.66 2e5l n ARG 72 Ca -0.01 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 2e5l n ARG 72 Cb 0.13 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.11 2e5l n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2e5l n GLU 73 N -2.00 0.00 -2.81 -0.14 -0.58 -0.95 -4.75 120.64 109.41 2e5l n GLU 73 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2e5l n GLU 73 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2e5l n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2e5l s ASP 74 N -1.66 6.40 0.38 1.62 -1.08 -1.24 -4.90 116.67 116.19 2e5l s ASP 74 Ca 0.00 -0.15 0.07 0.00 -0.52 0.00 0.00 52.55 51.95 2e5l s ASP 74 Cb 0.00 -2.45 0.79 0.00 -1.46 0.00 0.00 42.92 39.80 2e5l s ASP 74 CO 0.00 -1.18 1.98 1.55 0.52 0.00 0.00 175.17 178.04 2e5l h PRO 75 N 9.24 0.67 -0.71 4.34 0.13 -1.83 -1.78 132.00 142.06 2e5l h PRO 75 Ca -0.25 -0.04 0.15 0.00 -0.87 0.00 0.00 66.00 64.99 2e5l h PRO 75 Cb 1.07 -0.15 -0.13 0.00 0.13 0.00 0.00 31.00 31.92 2e5l h PRO 75 CO 1.07 0.44 -0.10 1.49 -0.23 0.00 0.00 178.00 180.68 2e5l h GLU 76 N 0.69 0.04 -0.49 0.86 4.57 -1.92 0.45 114.58 118.79 2e5l h GLU 76 Ca 0.27 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.37 2e5l h GLU 76 Cb 0.20 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2e5l h GLU 76 CO -0.08 0.03 -0.01 0.00 -1.18 0.00 0.00 179.01 177.77 2e5l h ARG 77 N 0.04 0.81 0.37 1.92 3.08 -1.71 -2.80 114.38 116.09 2e5l h ARG 77 Ca 0.36 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2e5l h ARG 77 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2e5l h ARG 77 CO -0.68 0.82 -0.18 -0.92 -1.07 0.00 0.00 179.97 177.94 2e5l h TYR 78 N 0.76 -0.46 -1.16 3.04 3.20 -1.11 -1.99 116.97 119.25 2e5l h TYR 78 Ca 0.15 -0.01 0.34 0.00 3.14 0.00 0.00 58.73 62.34 2e5l h TYR 78 Cb 0.47 0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.78 2e5l h TYR 78 CO 0.03 -0.13 0.75 0.00 -1.64 0.00 0.00 178.16 177.17 2e5l h ARG 79 N -0.94 0.24 0.00 1.82 3.08 -0.96 0.65 114.38 118.27 2e5l h ARG 79 Ca -0.05 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 2e5l h ARG 79 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2e5l h ARG 79 CO 0.08 0.16 -0.73 0.00 -1.07 0.00 0.00 179.97 178.41 2e5l h ALA 80 N 1.60 0.70 -0.09 0.04 0.00 -1.48 -3.33 119.26 116.69 2e5l h ALA 80 Ca 0.69 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2e5l h ALA 80 Cb 1.99 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2e5l h ALA 80 CO -0.33 0.40 -0.27 1.25 0.00 0.00 0.00 179.25 180.29 2e5l h LEU 81 N 0.00 0.40 -0.58 0.00 6.46 0.11 -2.73 115.31 118.97 2e5l h LEU 81 Ca -0.04 -0.60 0.04 0.00 -0.12 0.00 0.00 57.88 57.16 2e5l h LEU 81 Cb 1.25 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.02 2e5l h LEU 81 CO 0.03 0.93 0.34 0.40 -0.62 0.00 0.00 178.44 179.52 2e5l h ILE 82 N -0.11 1.02 -0.79 4.05 2.04 -1.62 -0.30 117.51 121.81 2e5l h ILE 82 Ca -0.01 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2e5l h ILE 82 Cb 0.89 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2e5l h ILE 82 CO 0.06 0.12 0.52 -0.08 0.00 0.00 0.00 178.15 178.77 2e5l h GLU 83 N 0.66 0.85 0.00 2.37 4.81 -1.66 1.93 114.58 123.53 2e5l h GLU 83 Ca 0.25 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2e5l h GLU 83 Cb 0.08 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2e5l h GLU 83 CO -0.13 0.56 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.44 2e5l h LYS 84 N 0.87 0.00 0.00 1.92 3.64 -0.82 -3.34 116.57 118.84 2e5l h LYS 84 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2e5l h LYS 84 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2e5l h LYS 84 CO -0.12 0.05 -0.67 1.28 -2.27 0.00 0.00 179.45 177.73 2e5l n LEU 85 N -3.13 1.37 0.00 5.20 4.77 -0.27 -5.08 117.00 119.86 2e5l n LEU 85 Ca 0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2e5l n LEU 85 Cb 0.45 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2e5l n LEU 85 CO 0.32 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2e5l n GLY 86 N 1.66 0.70 0.00 -0.72 0.00 0.64 -5.07 105.19 102.39 2e5l n GLY 86 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2e5l n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2e5l n ILE 87 N 0.00 0.00 -4.25 -0.61 5.41 -1.24 -5.05 119.36 113.62 2e5l n ILE 87 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2e5l n ILE 87 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2e5l n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2e5l n ARG 88 N 0.00 0.00 0.00 0.38 5.12 -1.26 -5.05 116.66 115.85 2e5l n ARG 88 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2e5l n ARG 88 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2e5l n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11