#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5n s GLY 2 N 0.00 1.86 -0.59 3.03 0.00 -1.26 -4.99 107.32 105.38 2h5n s GLY 2 Ca 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 44.72 42.74 2h5n s GLY 2 CO 0.00 1.36 0.39 1.08 0.00 0.00 0.00 173.10 175.94 2h5n s LEU 3 N 2.32 5.17 0.00 0.66 1.43 -1.26 -5.00 118.68 122.01 2h5n s LEU 3 Ca 0.11 -2.75 0.00 0.00 -1.03 0.00 0.00 54.13 50.46 2h5n s LEU 3 Cb -0.22 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2h5n s LEU 3 CO 0.09 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2h5n n GLY 4 N 3.61 2.00 3.77 -3.19 0.00 -1.26 -4.99 105.19 105.14 2h5n n GLY 4 Ca 0.06 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2h5n n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h5n s ARG 5 N -3.59 4.10 0.11 1.61 1.81 -1.26 -4.98 118.95 116.75 2h5n s ARG 5 Ca 0.00 2.60 -0.17 0.00 -1.72 0.00 0.00 55.73 56.45 2h5n s ARG 5 Cb 0.00 -2.98 -0.07 0.00 -0.45 0.00 0.00 34.95 31.45 2h5n s ARG 5 CO 0.00 -0.60 0.56 -0.65 -0.68 0.00 0.00 175.30 173.93 2h5n s GLN 6 N -1.50 4.08 -0.12 3.54 -0.21 -1.26 -5.08 119.66 119.10 2h5n s GLN 6 Ca 0.57 0.60 0.02 0.00 0.02 0.00 0.00 55.36 56.58 2h5n s GLN 6 Cb -0.48 -3.06 0.01 0.00 1.00 0.00 0.00 33.01 30.48 2h5n s GLN 6 CO 0.58 0.55 -0.20 0.45 -2.12 0.00 0.00 175.29 174.55 2h5n s SER 7 N -1.44 2.84 -0.03 5.90 0.15 -1.26 -5.13 113.70 114.72 2h5n s SER 7 Ca 0.34 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.51 2h5n s SER 7 Cb -0.17 -1.30 -0.02 0.00 -1.71 0.00 0.00 66.02 62.82 2h5n s SER 7 CO 0.19 0.07 -0.19 -0.76 1.20 0.00 0.00 173.24 173.75 2h5n s LEU 8 N 0.81 2.47 0.09 3.45 1.02 -1.26 -5.13 118.68 120.13 2h5n s LEU 8 Ca -0.09 -0.31 0.04 0.00 0.02 0.00 0.00 54.13 53.79 2h5n s LEU 8 Cb -0.16 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.55 2h5n s LEU 8 CO -0.00 0.33 -0.10 0.20 0.02 0.00 0.00 176.35 176.80 2h5n s ASN 9 N -0.71 1.42 -0.02 2.29 0.01 -1.26 -5.15 114.94 111.52 2h5n s ASN 9 Ca 0.11 -0.77 0.02 0.00 -0.71 0.00 0.00 52.86 51.52 2h5n s ASN 9 Cb -0.10 0.00 0.00 0.00 0.41 0.00 0.00 41.25 41.56 2h5n s ASN 9 CO 0.00 -0.24 -0.08 -0.51 -1.51 0.00 0.00 177.10 174.76 2h5n s ILE 10 N -2.22 0.68 -0.28 0.60 2.07 -1.26 -5.11 121.20 115.68 2h5n s ILE 10 Ca 0.03 -0.33 -0.22 0.00 -1.41 0.00 0.00 60.65 58.72 2h5n s ILE 10 Cb -0.04 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 2h5n s ILE 10 CO 0.00 0.21 0.73 -0.32 -1.91 0.00 0.00 174.94 173.65 2h5n s MET 11 N 0.09 4.03 0.10 3.50 -2.45 -1.26 -5.04 119.30 118.26 2h5n s MET 11 Ca -0.01 0.59 0.08 0.00 -1.25 0.00 0.00 55.69 55.10 2h5n s MET 11 Cb -0.07 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.28 2h5n s MET 11 CO 0.00 -0.57 -0.17 0.95 1.05 0.00 0.00 175.02 176.28 2h5n s THR 12 N 2.76 2.89 -0.04 10.11 -4.23 -1.26 -4.98 115.64 120.90 2h5n s THR 12 Ca 0.30 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2h5n s THR 12 Cb -0.15 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.41 2h5n s THR 12 CO 0.10 0.16 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.95 2h5n s PHE 13 N -1.10 0.58 0.82 3.99 0.08 -1.26 -5.12 117.98 115.97 2h5n s PHE 13 Ca 0.18 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 2h5n s PHE 13 Cb -0.11 -0.55 0.09 0.00 -0.57 0.00 0.00 43.02 41.88 2h5n s PHE 13 CO 0.09 -0.15 1.14 -1.54 -0.10 0.00 0.00 175.22 174.66 2h5n s SER 14 N 0.86 3.79 0.31 1.36 1.04 -1.26 -4.80 113.70 115.00 2h5n s SER 14 Ca -0.10 2.10 0.07 0.00 0.48 0.00 0.00 55.95 58.50 2h5n s SER 14 Cb -0.13 -2.56 0.79 0.00 0.10 0.00 0.00 66.02 64.22 2h5n s SER 14 CO -0.00 -2.52 1.75 1.23 0.98 0.00 0.00 173.24 174.68 2h5n h GLY 15 N -1.21 1.81 1.02 7.32 0.00 -2.01 -1.22 103.07 108.77 2h5n h GLY 15 Ca -0.44 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.46 2h5n h GLY 15 CO 0.47 -0.15 -0.11 1.46 0.00 0.00 0.00 176.54 178.21 2h5n h GLN 16 N 0.66 0.85 -0.42 4.80 7.50 -1.99 -1.78 115.11 124.73 2h5n h GLN 16 Ca 0.60 -0.33 -0.05 0.00 0.50 0.00 0.00 58.65 59.37 2h5n h GLN 16 Cb 1.03 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.49 2h5n h GLN 16 CO -0.43 0.96 0.07 0.93 -1.50 0.00 0.00 178.83 178.86 2h5n h GLU 17 N 0.68 0.70 -0.62 1.46 5.08 -1.83 -1.10 114.58 118.95 2h5n h GLU 17 Ca 0.11 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2h5n h GLU 17 Cb 0.65 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2h5n h GLU 17 CO 0.04 0.73 0.40 -0.07 -1.00 0.00 0.00 179.01 179.12 2h5n h LEU 18 N 0.55 0.72 -0.81 1.33 3.38 -1.17 -0.30 115.31 119.01 2h5n h LEU 18 Ca 0.13 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2h5n h LEU 18 Cb 0.37 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2h5n h LEU 18 CO 0.01 0.53 0.53 0.74 0.09 0.00 0.00 178.44 180.34 2h5n h THR 19 N 0.84 1.15 -0.47 0.22 2.02 -1.16 -2.32 112.91 113.19 2h5n h THR 19 Ca 0.23 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2h5n h THR 19 Cb -0.08 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 2h5n h THR 19 CO -0.05 0.19 0.26 0.00 0.37 0.00 0.00 175.52 176.29 2h5n h ALA 20 N 1.33 0.60 -0.02 6.16 0.00 -0.54 -1.21 119.26 125.58 2h5n h ALA 20 Ca 0.32 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2h5n h ALA 20 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2h5n h ALA 20 CO -0.10 0.12 -0.13 0.82 0.00 0.00 0.00 179.25 179.97 2h5n h ILE 21 N 0.62 0.68 -0.25 0.00 2.04 -0.86 -1.16 117.51 118.57 2h5n h ILE 21 Ca 0.16 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.95 2h5n h ILE 21 Cb 0.05 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2h5n h ILE 21 CO -0.03 0.00 -0.16 -0.29 0.00 0.00 0.00 178.15 177.68 2h5n h ILE 22 N -0.20 1.23 -0.53 -0.67 6.09 -1.35 -1.98 117.51 120.09 2h5n h ILE 22 Ca 0.05 -1.03 -0.06 0.00 -1.37 0.00 0.00 64.86 62.45 2h5n h ILE 22 Cb 0.27 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 2h5n h ILE 22 CO -0.14 0.33 0.07 0.50 -3.07 0.00 0.00 178.15 175.84 2h5n h LYS 23 N 0.39 0.85 -0.61 2.19 1.63 -1.03 -0.49 116.57 119.50 2h5n h LYS 23 Ca 0.07 -0.21 -0.10 0.00 -0.85 0.00 0.00 60.65 59.57 2h5n h LYS 23 Cb 0.51 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 2h5n h LYS 23 CO 0.03 0.81 0.01 0.52 -3.45 0.00 0.00 179.45 177.37 2h5n h MET 24 N 0.80 1.08 -0.22 1.90 2.86 -0.74 -1.50 114.93 119.11 2h5n h MET 24 Ca 0.17 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 2h5n h MET 24 Cb 0.39 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2h5n h MET 24 CO 0.01 1.04 -0.04 0.00 1.06 0.00 0.00 176.91 178.98 2h5n h ALA 25 N 1.01 0.31 -0.36 6.32 0.00 -1.09 -1.05 119.26 124.39 2h5n h ALA 25 Ca 0.18 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2h5n h ALA 25 Cb 0.55 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2h5n h ALA 25 CO 0.03 0.08 0.02 0.87 0.00 0.00 0.00 179.25 180.24 2h5n h LYS 26 N 0.16 0.12 -0.42 0.00 1.57 -1.09 -2.30 116.57 114.61 2h5n h LYS 26 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2h5n h LYS 26 Cb 0.48 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2h5n h LYS 26 CO 0.02 0.08 0.22 0.77 -0.57 0.00 0.00 179.45 179.96 2h5n h SER 27 N 0.12 0.55 -0.07 0.86 0.02 -1.06 -0.55 113.55 113.42 2h5n h SER 27 Ca 0.17 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2h5n h SER 27 Cb 0.23 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2h5n h SER 27 CO -0.28 0.50 0.03 -0.03 -1.14 0.00 0.00 176.83 175.91 2h5n h MET 28 N 0.55 0.06 0.00 3.45 1.85 -1.14 -2.62 114.93 117.09 2h5n h MET 28 Ca 0.15 -0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.14 2h5n h MET 28 Cb 0.09 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 2h5n h MET 28 CO -0.02 0.04 -0.45 -0.39 -0.40 0.00 0.00 176.91 175.69 2h5n h VAL 29 N 0.07 1.03 0.00 -5.77 -1.51 -1.27 -2.70 116.25 106.10 2h5n h VAL 29 Ca 0.03 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 63.76 2h5n h VAL 29 Cb 0.01 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2h5n h VAL 29 CO -0.02 0.44 0.00 0.23 -1.23 0.00 0.00 177.57 176.99 2h5n n MET 30 N -3.58 0.20 -0.26 5.19 2.81 -0.23 -4.38 117.12 116.87 2h5n n MET 30 Ca -0.00 0.19 0.04 0.00 -1.81 0.00 0.00 57.70 56.11 2h5n n MET 30 Cb 0.55 -1.75 0.17 0.00 -0.71 0.00 0.00 33.22 31.49 2h5n n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2h5n h ALA 31 N 2.60 1.08 -0.07 3.04 0.00 -1.11 0.16 119.26 124.96 2h5n h ALA 31 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2h5n h ALA 31 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2h5n h ALA 31 CO 0.00 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 178.76 2h5n n ASP 32 N -4.89 0.73 -0.02 0.00 5.75 -1.26 -4.89 116.55 111.96 2h5n n ASP 32 Ca 0.13 -1.53 -0.00 0.00 -0.01 0.00 0.00 54.79 53.38 2h5n n ASP 32 Cb 0.35 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.39 2h5n n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2h5n n GLY 33 N 0.95 0.42 3.44 6.12 0.00 0.57 -5.00 105.19 111.68 2h5n n GLY 33 Ca 0.15 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2h5n n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h5n s LYS 34 N -0.52 1.90 -0.24 1.61 1.02 -1.26 -5.12 119.74 117.13 2h5n s LYS 34 Ca 0.00 -1.08 -0.09 0.00 0.02 0.00 0.00 55.97 54.82 2h5n s LYS 34 Cb 0.00 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 2h5n s LYS 34 CO 0.00 0.51 0.11 0.96 -0.92 0.00 0.00 175.35 176.01 2h5n s ILE 35 N -0.96 4.79 -0.48 2.17 -4.36 -1.26 -4.78 121.20 116.33 2h5n s ILE 35 Ca 0.15 -0.01 -0.05 0.00 -0.26 0.00 0.00 60.65 60.47 2h5n s ILE 35 Cb -0.10 -3.23 0.12 0.00 1.25 0.00 0.00 42.46 40.50 2h5n s ILE 35 CO 0.06 0.35 0.30 -0.54 0.24 0.00 0.00 174.94 175.35 2h5n s LYS 36 N 1.28 2.28 0.44 0.37 1.02 -1.26 -5.00 119.74 118.87 2h5n s LYS 36 Ca 0.06 -1.94 0.25 0.00 0.02 0.00 0.00 55.97 54.36 2h5n s LYS 36 Cb -0.14 -3.73 1.28 0.00 -0.52 0.00 0.00 37.83 34.71 2h5n s LYS 36 CO 0.05 -1.13 1.75 -1.35 -0.92 0.00 0.00 175.35 173.75 2h5n h PRO 37 N 7.99 0.23 -0.52 -1.68 0.11 -2.00 -0.95 132.00 135.19 2h5n h PRO 37 Ca -0.13 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 2h5n h PRO 37 Cb 1.04 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 2h5n h PRO 37 CO 0.75 0.15 0.27 0.00 -0.21 0.00 0.00 178.00 178.97 2h5n h ALA 38 N 1.56 0.66 -0.74 -0.75 0.00 -2.00 -1.95 119.26 116.04 2h5n h ALA 38 Ca 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 2h5n h ALA 38 Cb 1.90 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2h5n h ALA 38 CO -0.24 0.20 0.43 0.93 0.00 0.00 0.00 179.25 180.57 2h5n h GLU 39 N 0.69 1.02 -0.77 0.00 5.08 -1.43 -2.64 114.58 116.53 2h5n h GLU 39 Ca 0.18 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2h5n h GLU 39 Cb 0.07 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2h5n h GLU 39 CO -0.03 0.74 0.35 0.82 -1.00 0.00 0.00 179.01 179.90 2h5n h ILE 40 N 1.02 1.25 -0.50 3.13 1.08 -1.40 -0.94 117.51 121.16 2h5n h ILE 40 Ca 0.26 -0.73 -0.06 0.00 -0.39 0.00 0.00 64.86 63.95 2h5n h ILE 40 Cb -0.00 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 2h5n h ILE 40 CO -0.05 0.31 0.08 0.00 -0.69 0.00 0.00 178.15 177.80 2h5n h ALA 41 N 1.18 0.66 -0.65 1.87 0.00 -1.27 -1.30 119.26 119.74 2h5n h ALA 41 Ca 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2h5n h ALA 41 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2h5n h ALA 41 CO -0.03 0.39 0.34 0.28 0.00 0.00 0.00 179.25 180.23 2h5n h VAL 42 N 0.70 1.21 -0.08 0.00 2.07 -1.39 0.81 116.25 119.56 2h5n h VAL 42 Ca 0.15 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2h5n h VAL 42 Cb 0.39 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2h5n h VAL 42 CO 0.01 0.24 -0.24 -0.03 0.02 0.00 0.00 177.57 177.57 2h5n h MET 43 N 0.89 -0.32 -0.10 1.57 -1.53 -0.95 0.11 114.93 114.60 2h5n h MET 43 Ca 0.23 0.02 -0.22 0.00 -3.44 0.00 0.00 59.70 56.29 2h5n h MET 43 Cb 0.08 0.07 0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2h5n h MET 43 CO -0.03 -0.21 -0.81 1.79 0.14 0.00 0.00 176.91 177.78 2h5n h THR 44 N -0.33 1.32 -0.02 -0.77 1.35 -1.05 -2.39 112.91 111.01 2h5n h THR 44 Ca 0.09 -2.10 -0.00 0.00 -0.55 0.00 0.00 66.41 63.85 2h5n h THR 44 Cb 0.46 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2h5n h THR 44 CO -0.28 0.65 0.01 -0.09 -0.25 0.00 0.00 175.52 175.56 2h5n h ARG 45 N 0.42 0.03 0.00 4.72 2.43 -0.64 -3.06 114.38 118.29 2h5n h ARG 45 Ca -0.06 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2h5n h ARG 45 Cb 1.43 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2h5n h ARG 45 CO 0.16 0.15 -0.17 0.93 -1.51 0.00 0.00 179.97 179.53 2h5n h GLU 46 N -0.09 0.00 -0.57 0.20 4.39 -0.85 -2.79 114.58 114.87 2h5n h GLU 46 Ca 0.01 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 2h5n h GLU 46 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2h5n h GLU 46 CO -0.00 0.17 0.38 0.35 -1.16 0.00 0.00 179.01 178.75 2h5n h PHE 47 N 0.00 0.49 -0.09 4.33 3.57 -1.31 -1.38 116.94 122.55 2h5n h PHE 47 Ca -0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2h5n h PHE 47 Cb 0.74 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 2h5n h PHE 47 CO 0.00 0.25 0.08 0.52 -2.23 0.00 0.00 178.31 176.92 2h5n h MET 48 N 0.47 0.00 0.00 1.11 2.86 -1.54 -1.26 114.93 116.57 2h5n h MET 48 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2h5n h MET 48 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2h5n h MET 48 CO -0.07 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.44 2h5n n ARG 49 N -4.21 0.02 0.00 1.72 5.12 -0.52 -1.05 116.66 117.75 2h5n n ARG 49 Ca -0.01 0.40 0.15 0.00 -1.93 0.00 0.00 57.85 56.46 2h5n n ARG 49 Cb 0.18 -1.56 0.75 0.00 -1.16 0.00 0.00 32.46 30.68 2h5n n ARG 49 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2h5n n PHE 50 N -1.60 0.00 0.00 -1.55 3.72 -0.47 -4.90 117.46 112.65 2h5n n PHE 50 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2h5n n PHE 50 Cb 0.09 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 2h5n n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h5n n GLY 51 N 1.19 1.83 3.60 1.37 0.00 -0.21 -4.75 105.19 108.22 2h5n n GLY 51 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2h5n n GLY 51 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2h5n s ILE 52 N -2.00 3.22 0.34 -0.61 -0.00 -1.22 -5.10 121.20 115.83 2h5n s ILE 52 Ca 0.00 -1.97 -0.20 0.00 -0.00 0.00 0.00 60.65 58.48 2h5n s ILE 52 Cb 0.00 -2.69 -0.10 0.00 -0.00 0.00 0.00 42.46 39.67 2h5n s ILE 52 CO 0.00 -0.34 0.84 -0.76 -0.00 0.00 0.00 174.94 174.69 2h5n s LEU 53 N -3.50 4.11 0.37 0.37 2.01 -1.26 -4.82 118.68 115.96 2h5n s LEU 53 Ca 0.30 1.54 0.10 0.00 0.01 0.00 0.00 54.13 56.08 2h5n s LEU 53 Cb -0.07 -4.15 0.87 0.00 0.01 0.00 0.00 46.19 42.85 2h5n s LEU 53 CO 0.18 -0.20 1.89 -0.61 1.01 0.00 0.00 176.35 178.62 2h5n h GLN 54 N 2.47 0.62 0.00 1.70 4.15 -2.00 0.46 115.11 122.51 2h5n h GLN 54 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.90 2h5n h GLN 54 Cb 1.18 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2h5n h GLN 54 CO 0.64 0.41 0.00 -0.40 -1.93 0.00 0.00 178.83 177.54 2h5n n ASP 55 N -4.53 0.00 0.03 -0.69 5.68 -1.26 -2.20 116.55 113.57 2h5n n ASP 55 Ca 0.16 -0.62 0.11 0.00 -0.50 0.00 0.00 54.79 53.94 2h5n n ASP 55 Cb 0.46 -0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.27 2h5n n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2h5n n GLN 56 N -1.11 0.46 -0.12 0.11 6.02 0.15 -4.53 117.38 118.35 2h5n n GLN 56 Ca 0.19 -0.05 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 2h5n n GLN 56 Cb 0.15 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 29.80 2h5n n GLN 56 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2h5n h VAL 57 N 0.00 1.15 -0.88 5.09 2.07 -1.43 -2.72 116.25 119.54 2h5n h VAL 57 Ca 0.00 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2h5n h VAL 57 Cb 0.86 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2h5n h VAL 57 CO 0.00 0.16 0.50 0.44 0.02 0.00 0.00 177.57 178.68 2h5n h ASP 58 N 0.48 1.09 1.11 0.57 3.32 -1.80 -1.43 116.42 119.76 2h5n h ASP 58 Ca 0.13 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 2h5n h ASP 58 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2h5n h ASP 58 CO -0.02 0.87 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.79 2h5n h LEU 59 N 1.23 0.00 -0.47 1.55 3.38 -1.82 -1.70 115.31 117.47 2h5n h LEU 59 Ca 0.31 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 2h5n h LEU 59 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2h5n h LEU 59 CO -0.05 0.50 -0.54 -0.07 0.09 0.00 0.00 178.44 178.37 2h5n h LEU 60 N 0.00 0.70 -0.86 1.67 3.38 -1.13 0.15 115.31 119.23 2h5n h LEU 60 Ca -0.01 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 2h5n h LEU 60 Cb 1.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2h5n h LEU 60 CO 0.07 1.10 -0.19 -0.07 0.09 0.00 0.00 178.44 179.44 2h5n h LEU 61 N 0.49 0.64 -0.44 1.67 3.38 -1.06 -1.91 115.31 118.08 2h5n h LEU 61 Ca 0.01 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 2h5n h LEU 61 Cb 1.10 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2h5n h LEU 61 CO 0.11 0.83 -0.65 0.50 0.09 0.00 0.00 178.44 179.31 2h5n h LYS 62 N 0.57 0.50 -0.16 1.13 3.64 -1.24 -3.01 116.57 117.99 2h5n h LYS 62 Ca 0.09 -0.36 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 2h5n h LYS 62 Cb 0.64 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2h5n h LYS 62 CO 0.05 0.98 -0.11 0.00 -2.27 0.00 0.00 179.45 178.10 2h5n h ALA 63 N 0.93 1.53 0.00 5.00 0.00 -0.56 -3.02 119.26 123.15 2h5n h ALA 63 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2h5n h ALA 63 Cb 1.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2h5n h ALA 63 CO 0.12 0.34 -0.10 0.66 0.00 0.00 0.00 179.25 180.26 2h5n h SER 64 N 0.23 0.00 1.02 0.00 4.64 -1.21 -2.04 113.55 116.19 2h5n h SER 64 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2h5n h SER 64 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2h5n h SER 64 CO 0.02 0.10 0.00 0.44 -0.87 0.00 0.00 176.83 176.52 2h5n h ASP 65 N 0.00 0.00 -0.05 4.97 3.32 -1.62 -2.92 116.42 120.12 2h5n h ASP 65 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2h5n h ASP 65 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2h5n h ASP 65 CO 0.01 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.99 2h5n n SER 66 N -2.69 2.23 -4.47 6.45 3.41 -0.77 -4.91 113.62 112.88 2h5n n SER 66 Ca 0.02 -1.75 -0.30 0.00 -0.26 0.00 0.00 58.87 56.59 2h5n n SER 66 Cb 0.30 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 2h5n n SER 66 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2h5n s ILE 67 N -1.96 2.74 0.32 -1.33 -4.36 -1.10 -5.12 121.20 110.39 2h5n s ILE 67 Ca 0.34 -1.48 -0.29 0.00 -0.26 0.00 0.00 60.65 58.96 2h5n s ILE 67 Cb 0.20 -2.23 -0.10 0.00 1.25 0.00 0.00 42.46 41.59 2h5n s ILE 67 CO 0.31 0.15 1.21 -1.61 0.24 0.00 0.00 174.94 175.24 2h5n s GLU 68 N -1.99 4.45 0.37 0.37 0.41 -1.26 -4.94 118.70 116.11 2h5n s GLU 68 Ca 0.17 2.01 0.10 0.00 -0.41 0.00 0.00 54.97 56.84 2h5n s GLU 68 Cb -0.10 -3.08 0.87 0.00 -1.78 0.00 0.00 34.13 30.03 2h5n s GLU 68 CO 0.09 -0.03 1.88 0.00 -0.49 0.00 0.00 175.26 176.70 2h5n h ALA 69 N 3.49 1.90 -0.04 5.21 0.00 -1.96 -1.30 119.26 126.56 2h5n h ALA 69 Ca -0.48 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2h5n h ALA 69 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2h5n h ALA 69 CO 0.66 -0.13 -0.32 0.66 0.00 0.00 0.00 179.25 180.11 2h5n h SER 70 N 0.63 0.07 0.19 0.00 4.64 -2.00 -2.17 113.55 114.90 2h5n h SER 70 Ca 0.43 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.54 2h5n h SER 70 Cb 0.76 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2h5n h SER 70 CO -0.19 0.39 -0.74 -0.61 -0.87 0.00 0.00 176.83 174.81 2h5n h GLN 71 N 0.06 0.47 -0.73 4.77 5.75 -1.64 -2.59 115.11 121.21 2h5n h GLN 71 Ca 0.01 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.10 2h5n h GLN 71 Cb 0.60 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 2h5n h GLN 71 CO 0.04 1.02 0.41 0.00 -2.65 0.00 0.00 178.83 177.65 2h5n h ALA 72 N 0.86 0.94 0.21 3.38 0.00 -1.03 -1.43 119.26 122.18 2h5n h ALA 72 Ca -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2h5n h ALA 72 Cb 1.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2h5n h ALA 72 CO 0.13 0.44 -0.25 0.28 0.00 0.00 0.00 179.25 179.86 2h5n h VAL 73 N 1.01 0.46 -0.79 0.00 2.07 -1.33 -1.16 116.25 116.51 2h5n h VAL 73 Ca 0.26 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.95 2h5n h VAL 73 Cb 0.03 0.46 -0.11 0.00 -1.52 0.00 0.00 31.29 30.15 2h5n h VAL 73 CO -0.04 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.82 2h5n h ALA 74 N 0.17 1.11 -0.41 1.67 0.00 -1.33 0.29 119.26 120.77 2h5n h ALA 74 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2h5n h ALA 74 Cb 0.49 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2h5n h ALA 74 CO -0.08 -0.30 -0.17 -0.07 0.00 0.00 0.00 179.25 178.63 2h5n h LEU 75 N 0.36 0.76 0.03 0.00 3.38 -0.92 -3.00 115.31 115.92 2h5n h LEU 75 Ca 0.45 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 2h5n h LEU 75 Cb 0.77 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2h5n h LEU 75 CO -0.48 0.93 -0.61 0.40 0.09 0.00 0.00 178.44 178.77 2h5n h ILE 76 N 0.68 1.47 -0.23 1.22 1.08 -0.74 -3.32 117.51 117.67 2h5n h ILE 76 Ca 0.11 -2.18 0.07 0.00 -0.39 0.00 0.00 64.86 62.46 2h5n h ILE 76 Cb 0.66 2.77 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 2h5n h ILE 76 CO 0.05 0.62 0.23 0.00 -0.69 0.00 0.00 178.15 178.36 2h5n h ALA 77 N 0.25 1.92 -0.39 1.87 0.00 -0.41 -0.86 119.26 121.65 2h5n h ALA 77 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2h5n h ALA 77 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2h5n h ALA 77 CO 0.12 -0.35 0.00 2.89 0.00 0.00 0.00 179.25 181.91 2h5n n ARG 78 N -3.91 2.15 -2.11 0.00 1.85 -1.14 -4.92 116.66 108.59 2h5n n ARG 78 Ca 0.03 -1.76 -0.32 0.00 -1.00 0.00 0.00 57.85 54.80 2h5n n ARG 78 Cb 0.37 -1.43 -0.01 0.00 -1.05 0.00 0.00 32.46 30.34 2h5n n ARG 78 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2h5n s MET 79 N -1.49 3.65 0.87 2.89 -1.94 -0.33 -5.05 119.30 117.90 2h5n s MET 79 Ca 0.35 0.94 -0.11 0.00 -1.71 0.00 0.00 55.69 55.17 2h5n s MET 79 Cb 0.19 -2.09 0.12 0.00 2.01 0.00 0.00 34.83 35.06 2h5n s MET 79 CO 0.26 -0.53 1.11 0.16 -0.01 0.00 0.00 175.02 176.02 2h5n s ASP 80 N -3.40 3.51 0.40 3.03 -4.77 -1.26 -4.76 116.67 109.42 2h5n s ASP 80 Ca 0.59 1.93 0.09 0.00 -3.30 0.00 0.00 52.55 51.86 2h5n s ASP 80 Cb -0.12 -2.49 0.85 0.00 -1.09 0.00 0.00 42.92 40.07 2h5n s ASP 80 CO 0.41 -2.69 1.97 -0.33 0.70 0.00 0.00 175.17 175.23 2h5n h GLU 81 N -1.58 0.30 -0.40 2.11 4.39 -1.98 -2.03 114.58 115.38 2h5n h GLU 81 Ca -0.45 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 2h5n h GLU 81 Cb 1.26 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2h5n h GLU 81 CO 0.47 0.34 0.18 1.49 -1.16 0.00 0.00 179.01 180.33 2h5n h GLU 82 N 0.29 0.59 -0.38 2.33 4.81 -2.00 -1.32 114.58 118.90 2h5n h GLU 82 Ca 0.07 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 2h5n h GLU 82 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2h5n h GLU 82 CO 0.01 0.53 -0.37 0.00 -0.73 0.00 0.00 179.01 178.44 2h5n h ARG 83 N 0.51 0.91 -0.77 1.92 3.08 -1.86 -2.64 114.38 115.53 2h5n h ARG 83 Ca 0.14 -0.47 0.09 0.00 0.07 0.00 0.00 59.98 59.80 2h5n h ARG 83 Cb 0.15 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 2h5n h ARG 83 CO -0.01 1.12 0.43 0.87 -1.07 0.00 0.00 179.97 181.31 2h5n h LYS 84 N 0.75 0.71 -0.76 0.04 1.57 -1.23 -0.21 116.57 117.43 2h5n h LYS 84 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2h5n h LYS 84 Cb 0.96 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 2h5n h LYS 84 CO 0.09 0.47 0.44 -0.22 -0.57 0.00 0.00 179.45 179.66 2h5n h LYS 85 N 0.74 1.05 -0.29 3.15 3.64 -1.09 0.95 116.57 124.72 2h5n h LYS 85 Ca 0.37 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 2h5n h LYS 85 Cb 0.33 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2h5n h LYS 85 CO -0.24 0.77 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.71 2h5n h TYR 86 N 1.05 0.63 -0.47 1.91 5.03 -1.05 -0.19 116.97 123.88 2h5n h TYR 86 Ca 0.27 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 2h5n h TYR 86 Cb 0.00 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.11 2h5n h TYR 86 CO -0.00 0.76 0.27 0.28 -1.32 0.00 0.00 178.16 178.15 2h5n h VAL 87 N 0.32 1.16 -0.73 1.81 2.07 -0.78 -1.15 116.25 118.95 2h5n h VAL 87 Ca 0.07 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2h5n h VAL 87 Cb 0.56 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2h5n h VAL 87 CO 0.03 0.16 0.48 0.00 0.02 0.00 0.00 177.57 178.26 2h5n h ALA 88 N 1.12 1.50 -0.43 1.67 0.00 -0.72 -1.55 119.26 120.85 2h5n h ALA 88 Ca 0.17 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2h5n h ALA 88 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2h5n h ALA 88 CO -0.03 0.45 -0.06 0.77 0.00 0.00 0.00 179.25 180.38 2h5n h SER 89 N 0.96 0.80 -0.33 0.00 0.02 -0.48 -1.46 113.55 113.07 2h5n h SER 89 Ca 0.27 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2h5n h SER 89 Cb -0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2h5n h SER 89 CO -0.06 0.96 0.20 0.22 -1.14 0.00 0.00 176.83 177.00 2h5n h TYR 90 N 0.63 0.37 -0.27 3.45 3.20 -1.01 -1.57 116.97 121.79 2h5n h TYR 90 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2h5n h TYR 90 Cb 0.58 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2h5n h TYR 90 CO 0.05 0.22 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.59 2h5n h LEU 91 N 0.41 0.43 -0.64 2.82 3.38 -1.10 -2.77 115.31 117.85 2h5n h LEU 91 Ca 0.13 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 2h5n h LEU 91 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2h5n h LEU 91 CO -0.05 0.60 -0.61 1.23 0.09 0.00 0.00 178.44 179.70 2h5n h GLY 92 N 0.91 0.27 1.83 0.83 0.00 -0.70 -3.10 103.07 103.11 2h5n h GLY 92 Ca 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2h5n h GLY 92 CO 0.03 0.30 -0.31 -0.39 0.00 0.00 0.00 176.54 176.17 2h5n h VAL 93 N 0.18 0.24 -0.54 4.60 -1.51 -1.11 -3.30 116.25 114.82 2h5n h VAL 93 Ca -0.01 -1.35 0.05 0.00 -1.23 0.00 0.00 66.70 64.17 2h5n h VAL 93 Cb 1.12 2.05 -0.05 0.00 -2.13 0.00 0.00 31.29 32.28 2h5n h VAL 93 CO 0.10 0.14 0.26 0.40 -1.23 0.00 0.00 177.57 177.23 2h5n h ILE 94 N 0.00 0.93 -0.01 7.19 2.04 -1.41 -2.89 117.51 123.36 2h5n h ILE 94 Ca -0.01 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2h5n h ILE 94 Cb 1.12 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2h5n h ILE 94 CO 0.02 0.09 -0.29 0.23 0.00 0.00 0.00 178.15 178.20 2h5n n MET 95 N -4.89 1.09 -2.44 2.37 2.81 -1.26 -4.61 117.12 110.20 2h5n n MET 95 Ca 0.05 -0.75 -0.37 0.00 -1.81 0.00 0.00 57.70 54.82 2h5n n MET 95 Cb 0.16 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 2h5n n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2h5n s ALA 96 N -2.43 3.12 -0.15 3.04 0.00 -1.09 -4.82 121.76 119.43 2h5n s ALA 96 Ca 0.24 0.81 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 2h5n s ALA 96 Cb 0.19 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 20.04 2h5n s ALA 96 CO 0.51 -0.34 0.04 0.45 0.00 0.00 0.00 175.76 176.42 2h5n s SER 97 N -1.37 2.31 -1.41 0.00 0.15 -0.37 -4.78 113.70 108.23 2h5n s SER 97 Ca 0.57 -0.51 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 2h5n s SER 97 Cb -0.26 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2h5n s SER 97 CO 0.32 -0.28 0.54 0.47 1.20 0.00 0.00 173.24 175.49 2h5n n ASP 98 N 5.14 -5.68 -0.10 5.45 9.92 -1.26 -2.87 116.55 127.15 2h5n n ASP 98 Ca -0.08 -0.25 -0.01 0.00 -0.53 0.00 0.00 54.79 53.92 2h5n n ASP 98 Cb 0.48 -4.51 -0.01 0.00 -0.64 0.00 0.00 41.12 36.45 2h5n n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2h5n n GLY 99 N -1.44 0.48 3.33 0.44 0.00 -1.26 -5.02 105.19 101.72 2h5n n GLY 99 Ca -0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2h5n n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2h5n s ASP 100 N -2.24 3.00 -0.04 1.61 1.01 -1.14 -4.72 116.67 114.15 2h5n s ASP 100 Ca 0.00 -0.61 0.04 0.00 0.71 0.00 0.00 52.55 52.69 2h5n s ASP 100 Cb 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 42.92 43.68 2h5n s ASP 100 CO 0.00 0.21 -0.14 -0.51 0.21 0.00 0.00 175.17 174.94 2h5n s ILE 101 N -0.86 1.23 0.82 0.77 2.07 -1.26 -1.24 121.20 122.73 2h5n s ILE 101 Ca 0.11 -0.59 -0.12 0.00 -1.41 0.00 0.00 60.65 58.64 2h5n s ILE 101 Cb -0.10 -1.07 0.09 0.00 0.13 0.00 0.00 42.46 41.51 2h5n s ILE 101 CO 0.03 0.36 1.16 1.51 -1.91 0.00 0.00 174.94 176.09 2h5n s ASP 102 N 0.18 4.35 0.40 4.50 1.47 -1.26 -4.82 116.67 121.48 2h5n s ASP 102 Ca -0.05 0.88 0.12 0.00 1.18 0.00 0.00 52.55 54.68 2h5n s ASP 102 Cb -0.11 -1.44 0.82 0.00 -0.34 0.00 0.00 42.92 41.84 2h5n s ASP 102 CO 0.02 -2.01 1.90 0.44 0.68 0.00 0.00 175.17 176.20 2h5n h ASP 103 N -1.13 0.10 -0.07 2.11 3.32 -2.01 -0.20 116.42 118.54 2h5n h ASP 103 Ca -0.47 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 2h5n h ASP 103 Cb 1.32 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.85 2h5n h ASP 103 CO 0.64 0.33 -0.43 0.78 -1.72 0.00 0.00 179.24 178.84 2h5n h ASN 104 N 0.10 0.51 -0.63 6.45 2.35 -1.99 -1.10 115.58 121.27 2h5n h ASN 104 Ca 0.02 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 2h5n h ASN 104 Cb 0.46 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2h5n h ASN 104 CO 0.03 1.09 0.41 -0.33 -1.65 0.00 0.00 177.43 176.98 2h5n h GLU 105 N -0.04 0.83 -0.72 0.81 5.08 -1.90 -1.64 114.58 117.00 2h5n h GLU 105 Ca -0.03 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2h5n h GLU 105 Cb 1.09 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 2h5n h GLU 105 CO 0.09 0.56 0.47 1.25 -1.00 0.00 0.00 179.01 180.38 2h5n h LEU 106 N 0.85 0.84 -0.93 1.33 5.85 -1.03 -1.11 115.31 121.12 2h5n h LEU 106 Ca 0.23 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2h5n h LEU 106 Cb -0.08 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 2h5n h LEU 106 CO -0.05 0.61 0.36 0.00 -0.34 0.00 0.00 178.44 179.03 2h5n h ALA 107 N 1.26 1.16 -0.39 1.25 0.00 -0.86 0.18 119.26 121.85 2h5n h ALA 107 Ca 0.26 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2h5n h ALA 107 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2h5n h ALA 107 CO -0.06 0.63 -0.23 -0.07 0.00 0.00 0.00 179.25 179.52 2h5n h LEU 108 N 1.12 0.88 -0.70 0.00 3.38 -0.84 0.21 115.31 119.36 2h5n h LEU 108 Ca 0.27 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2h5n h LEU 108 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2h5n h LEU 108 CO -0.03 1.11 0.18 -0.25 0.09 0.00 0.00 178.44 179.54 2h5n h TRP 109 N 0.65 1.17 -0.31 1.13 7.01 -1.08 -2.05 115.95 122.47 2h5n h TRP 109 Ca 0.08 -0.13 -0.04 0.00 2.11 0.00 0.00 58.89 60.91 2h5n h TRP 109 Cb 0.80 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 2h5n h TRP 109 CO 0.06 0.95 0.04 1.15 -2.79 0.00 0.00 178.44 177.84 2h5n h THR 110 N 1.05 1.24 -0.22 2.65 2.02 -0.39 -1.95 112.91 117.32 2h5n h THR 110 Ca 0.22 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2h5n h THR 110 Cb 0.36 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2h5n h THR 110 CO 0.00 0.28 0.14 0.25 0.37 0.00 0.00 175.52 176.55 2h5n h LEU 111 N 0.33 0.26 -0.63 2.58 5.85 -0.83 0.43 115.31 123.30 2h5n h LEU 111 Ca 0.09 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2h5n h LEU 111 Cb 0.37 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2h5n h LEU 111 CO 0.01 0.22 0.25 -0.29 -0.34 0.00 0.00 178.44 178.29 2h5n h ILE 112 N 0.27 1.24 -0.51 4.05 2.10 -1.34 -1.72 117.51 121.60 2h5n h ILE 112 Ca 0.08 -0.74 0.05 0.00 1.08 0.00 0.00 64.86 65.33 2h5n h ILE 112 Cb 0.01 0.54 -0.05 0.00 -1.09 0.00 0.00 36.82 36.23 2h5n h ILE 112 CO -0.02 0.29 0.25 0.28 -1.08 0.00 0.00 178.15 177.87 2h5n h SER 113 N 0.89 0.35 -0.29 2.19 0.02 -1.13 -1.32 113.55 114.25 2h5n h SER 113 Ca 0.21 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2h5n h SER 113 Cb 0.21 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 2h5n h SER 113 CO -0.02 0.24 0.07 0.74 -1.14 0.00 0.00 176.83 176.72 2h5n h THR 114 N 0.49 0.88 -0.21 -2.27 2.02 -0.40 0.19 112.91 113.60 2h5n h THR 114 Ca 0.23 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.25 2h5n h THR 114 Cb 0.15 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2h5n h THR 114 CO -0.16 0.03 -0.26 -0.07 0.37 0.00 0.00 175.52 175.43 2h5n h LEU 115 N 0.18 0.39 -0.98 2.58 3.38 -0.95 -2.58 115.31 117.34 2h5n h LEU 115 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h5n h LEU 115 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2h5n h LEU 115 CO -0.17 0.65 -0.14 0.00 0.09 0.00 0.00 178.44 178.87 2h5n n GLY 117 N 1.29 -0.10 3.87 0.00 0.00 -0.40 -3.67 105.19 106.18 2h5n n GLY 117 Ca 0.15 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2h5n n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h5n s LEU 118 N -4.21 3.88 0.47 0.99 1.43 -0.08 -5.03 118.68 116.13 2h5n s LEU 118 Ca 0.14 1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 54.20 2h5n s LEU 118 Cb -0.06 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.04 2h5n s LEU 118 CO 0.17 -0.36 1.04 -2.16 0.23 0.00 0.00 176.35 175.28 2h5n s PRO 119 N -3.66 3.87 0.29 1.29 0.04 -1.26 -4.63 135.00 130.94 2h5n s PRO 119 Ca 0.52 1.39 -0.28 0.00 0.04 0.00 0.00 61.00 62.67 2h5n s PRO 119 Cb -0.10 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 2h5n s PRO 119 CO 0.28 -0.38 0.97 0.95 0.04 0.00 0.00 177.00 178.86 2h5n s THR 120 N -1.92 4.04 0.13 1.26 -4.23 -1.26 -4.95 115.64 108.71 2h5n s THR 120 Ca 0.66 1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 62.88 2h5n s THR 120 Cb -0.17 -4.10 0.02 0.00 1.34 0.00 0.00 72.50 69.59 2h5n s THR 120 CO 0.21 0.30 0.37 0.00 -0.54 0.00 0.00 174.62 174.95 2h5n s MET 121 N -1.68 1.07 0.76 3.99 0.23 -1.26 -5.14 119.30 117.26 2h5n s MET 121 Ca 0.47 -0.80 -0.12 0.00 -1.03 0.00 0.00 55.69 54.21 2h5n s MET 121 Cb -0.23 0.45 0.05 0.00 -1.53 0.00 0.00 34.83 33.56 2h5n s MET 121 CO 0.29 -0.41 1.10 0.95 -2.03 0.00 0.00 175.02 174.93 2h5n s THR 122 N -3.83 3.12 0.31 3.16 -4.23 -1.26 -4.90 115.64 108.01 2h5n s THR 122 Ca 0.05 0.36 0.09 0.00 -1.18 0.00 0.00 61.69 61.01 2h5n s THR 122 Cb 0.02 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.67 2h5n s THR 122 CO -0.10 -0.48 1.72 1.62 -0.54 0.00 0.00 174.62 176.85 2h5n h VAL 123 N -0.92 1.32 0.14 2.29 3.04 -1.94 -0.90 116.25 119.28 2h5n h VAL 123 Ca -0.46 -1.55 0.00 0.00 -1.01 0.00 0.00 66.70 63.68 2h5n h VAL 123 Cb 1.27 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.30 2h5n h VAL 123 CO 0.62 0.45 -0.12 -0.03 -1.01 0.00 0.00 177.57 177.48 2h5n h MET 124 N 0.11 -0.27 -0.73 4.17 1.85 -1.93 0.10 114.93 118.23 2h5n h MET 124 Ca 0.01 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 2h5n h MET 124 Cb 0.82 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.87 2h5n h MET 124 CO 0.06 -0.18 0.42 0.93 -0.40 0.00 0.00 176.91 177.75 2h5n h GLU 125 N -0.28 1.00 -0.03 0.39 5.08 -1.84 -1.97 114.58 116.94 2h5n h GLU 125 Ca -0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2h5n h GLU 125 Cb 0.25 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2h5n h GLU 125 CO -0.02 0.72 -0.11 0.00 -1.00 0.00 0.00 179.01 178.60 2h5n h ALA 126 N 1.45 -0.10 -0.08 3.43 0.00 -0.97 -2.19 119.26 120.81 2h5n h ALA 126 Ca 0.26 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2h5n h ALA 126 Cb -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2h5n h ALA 126 CO -0.05 -0.59 -0.18 0.82 0.00 0.00 0.00 179.25 179.25 2h5n h ILE 127 N -0.17 1.17 0.20 0.00 2.04 -0.57 -2.84 117.51 117.34 2h5n h ILE 127 Ca 0.05 -0.79 -0.28 0.00 1.00 0.00 0.00 64.86 64.83 2h5n h ILE 127 Cb 0.24 1.32 0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2h5n h ILE 127 CO -0.13 0.24 -1.22 0.78 0.00 0.00 0.00 178.15 177.82 2h5n h ASN 128 N 0.11 0.72 -0.98 1.72 2.35 -1.35 -2.91 115.58 115.25 2h5n h ASN 128 Ca 0.02 -0.92 0.05 0.00 -0.55 0.00 0.00 56.30 54.90 2h5n h ASN 128 Cb 0.40 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 2h5n h ASN 128 CO 0.03 1.59 0.63 0.78 -1.65 0.00 0.00 177.43 178.81 2h5n h ASN 129 N -0.02 1.04 0.57 5.81 2.35 -1.29 -2.24 115.58 121.80 2h5n h ASN 129 Ca -0.21 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.42 2h5n h ASN 129 Cb 1.95 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 40.08 2h5n h ASN 129 CO 0.23 0.70 -0.54 0.24 -1.65 0.00 0.00 177.43 176.40 2h5n h MET 130 N 1.20 0.00 0.00 0.81 2.86 -1.56 -3.00 114.93 115.24 2h5n h MET 130 Ca 0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2h5n h MET 130 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2h5n h MET 130 CO -0.14 0.54 0.00 1.17 1.06 0.00 0.00 176.91 179.54 2h5n n LYS 131 N -3.86 0.72 -0.63 1.72 4.81 -0.85 -5.11 118.16 114.96 2h5n n LYS 131 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2h5n n LYS 131 Cb 0.56 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.14 2h5n n LYS 131 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84