#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 s ILE 2 N 0.00 2.90 -0.01 0.00 1.01 -1.26 -4.83 121.20 119.01 3h88 s ILE 2 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.00 3h88 s ILE 2 Cb 0.00 -2.22 -0.24 0.00 0.01 0.00 0.00 42.46 40.00 3h88 s ILE 2 CO 0.00 0.51 0.80 0.58 0.00 0.00 0.00 174.94 176.83 3h88 h VAL 3 N 5.53 1.06 -1.92 2.92 2.07 -1.03 -3.47 116.25 121.41 3h88 h VAL 3 Ca -0.29 -2.82 0.11 0.00 0.82 0.00 0.00 66.70 64.52 3h88 h VAL 3 Cb 1.20 2.60 -0.19 0.00 -1.52 0.00 0.00 31.29 33.38 3h88 h VAL 3 CO 0.56 0.71 0.53 -0.83 0.02 0.00 0.00 177.57 178.56 3h88 s GLY 4 N -5.05 -0.37 -0.03 2.17 0.00 -1.12 -4.97 107.32 97.95 3h88 s GLY 4 Ca -0.07 1.47 0.01 0.00 0.00 0.00 0.00 44.72 46.14 3h88 s GLY 4 CO 0.83 0.64 -0.04 -2.27 0.00 0.00 0.00 173.10 172.26 3h88 s LEU 5 N -1.88 1.48 0.02 0.66 2.96 -1.26 -1.53 118.68 119.14 3h88 s LEU 5 Ca 0.02 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3h88 s LEU 5 Cb -0.01 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.33 3h88 s LEU 5 CO -0.04 -0.03 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.07 3h88 s GLY 6 N 0.64 0.33 0.06 7.98 0.00 -0.30 -3.59 107.32 112.44 3h88 s GLY 6 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3h88 s GLY 6 CO -0.00 -0.50 -0.04 -1.08 0.00 0.00 0.00 173.10 171.47 3h88 s THR 7 N -0.83 0.34 -0.13 0.90 -1.32 -1.26 -0.88 115.64 112.46 3h88 s THR 7 Ca -0.06 -1.62 -0.29 0.00 -1.21 0.00 0.00 61.69 58.52 3h88 s THR 7 Cb -0.06 -1.26 0.08 0.00 -1.51 0.00 0.00 72.50 69.75 3h88 s THR 7 CO -0.00 -0.83 0.75 -0.62 -2.21 0.00 0.00 174.62 171.71 3h88 s ASP 8 N -2.57 -0.63 -0.03 8.08 2.15 -0.45 -4.50 116.67 118.72 3h88 s ASP 8 Ca 0.03 0.86 0.05 0.00 0.43 0.00 0.00 52.55 53.92 3h88 s ASP 8 Cb 0.03 0.75 -0.01 0.00 -0.30 0.00 0.00 42.92 43.39 3h88 s ASP 8 CO -0.06 -0.46 -0.17 -0.51 -0.17 0.00 0.00 175.17 173.79 3h88 s ILE 9 N -0.72 1.41 -0.03 4.11 2.07 -1.26 -1.64 121.20 125.14 3h88 s ILE 9 Ca -0.06 -0.74 0.04 0.00 -1.41 0.00 0.00 60.65 58.47 3h88 s ILE 9 Cb -0.02 -1.19 -0.00 0.00 0.13 0.00 0.00 42.46 41.38 3h88 s ILE 9 CO 0.06 0.40 -0.14 0.00 -1.91 0.00 0.00 174.94 173.35 3h88 s ALA 10 N -0.23 1.24 -0.26 1.50 0.00 0.80 -4.99 121.76 119.82 3h88 s ALA 10 Ca 0.03 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 3h88 s ALA 10 Cb -0.09 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 3h88 s ALA 10 CO 0.00 0.22 0.82 -2.00 0.00 0.00 0.00 175.76 174.81 3h88 s GLU 11 N 0.07 4.14 0.20 0.00 2.12 -1.26 -1.21 118.70 122.76 3h88 s GLU 11 Ca -0.03 0.87 -0.08 0.00 0.36 0.00 0.00 54.97 56.09 3h88 s GLU 11 Cb -0.10 -3.66 0.12 0.00 0.26 0.00 0.00 34.13 30.74 3h88 s GLU 11 CO 0.01 -0.56 1.70 0.82 -0.54 0.00 0.00 175.26 176.70 3h88 h ILE 12 N 5.47 1.26 -0.19 -3.70 2.04 -1.46 -2.39 117.51 118.54 3h88 h ILE 12 Ca -0.23 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3h88 h ILE 12 Cb 1.09 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3h88 h ILE 12 CO 0.88 0.39 0.04 -0.08 0.00 0.00 0.00 178.15 179.37 3h88 h GLU 13 N 1.05 0.26 -0.28 2.37 4.81 -1.92 -0.83 114.58 120.04 3h88 h GLU 13 Ca 0.21 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 3h88 h GLU 13 Cb 0.43 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3h88 h GLU 13 CO 0.01 0.26 -0.38 0.00 -0.73 0.00 0.00 179.01 178.17 3h88 h ARG 14 N 0.26 0.66 -0.36 1.92 3.08 -1.81 -0.56 114.38 117.56 3h88 h ARG 14 Ca 0.07 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 3h88 h ARG 14 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3h88 h ARG 14 CO -0.00 0.93 0.05 0.28 -1.07 0.00 0.00 179.97 180.16 3h88 h VAL 15 N 0.55 1.24 -0.61 2.04 2.07 -1.33 -1.56 116.25 118.64 3h88 h VAL 15 Ca 0.05 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3h88 h VAL 15 Cb 0.90 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3h88 h VAL 15 CO 0.08 0.29 0.39 -0.33 0.02 0.00 0.00 177.57 178.03 3h88 h GLU 16 N 0.45 0.77 -0.31 1.57 5.08 -0.87 -1.02 114.58 120.25 3h88 h GLU 16 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3h88 h GLU 16 Cb 0.38 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3h88 h GLU 16 CO 0.01 0.51 0.20 0.87 -1.00 0.00 0.00 179.01 179.60 3h88 h LYS 17 N 0.79 0.41 -0.86 2.33 1.57 -1.05 -0.87 116.57 118.88 3h88 h LYS 17 Ca 0.24 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3h88 h LYS 17 Cb -0.04 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 3h88 h LYS 17 CO -0.07 0.28 0.56 0.00 -0.57 0.00 0.00 179.45 179.64 3h88 h ALA 18 N 1.10 1.13 -0.53 3.86 0.00 -1.00 -2.07 119.26 121.75 3h88 h ALA 18 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 18 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3h88 h ALA 18 CO -0.02 0.40 0.01 -0.07 0.00 0.00 0.00 179.25 179.57 3h88 h LEU 19 N 1.08 0.86 -1.84 0.00 3.38 -0.84 0.10 115.31 118.06 3h88 h LEU 19 Ca 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3h88 h LEU 19 Cb -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3h88 h LEU 19 CO -0.11 0.92 -0.12 0.00 0.09 0.00 0.00 178.44 179.22 3h88 h ALA 20 N 1.17 1.69 0.05 1.53 0.00 -0.53 0.01 119.26 123.18 3h88 h ALA 20 Ca 0.16 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 3h88 h ALA 20 Cb 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3h88 h ALA 20 CO 0.02 0.15 -1.63 0.54 0.00 0.00 0.00 179.25 178.33 3h88 n ARG 21 N -4.23 0.64 -0.00 0.00 1.74 -0.84 -4.75 116.66 109.23 3h88 n ARG 21 Ca -0.03 0.44 0.01 0.00 -0.77 0.00 0.00 57.85 57.50 3h88 n ARG 21 Cb 0.19 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.90 3h88 n ARG 21 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h88 n SER 22 N -4.05 1.23 0.00 0.55 7.64 0.32 -5.06 113.62 114.25 3h88 n SER 22 Ca -0.34 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.13 3h88 n SER 22 Cb 0.83 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 65.06 3h88 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h88 n GLY 23 N 1.39 3.07 0.37 0.23 0.00 -0.01 -1.69 105.19 108.54 3h88 n GLY 23 Ca 0.00 0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.25 3h88 n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h88 h GLU 24 N 0.00 0.18 -0.14 1.61 4.57 -1.95 -0.35 114.58 118.49 3h88 h GLU 24 Ca 0.00 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 3h88 h GLU 24 Cb 0.00 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3h88 h GLU 24 CO 0.00 0.12 -0.39 -0.91 -1.18 0.00 0.00 179.01 176.64 3h88 h ASN 25 N 0.18 0.32 -0.01 1.04 2.35 -1.75 0.01 115.58 117.71 3h88 h ASN 25 Ca 0.26 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3h88 h ASN 25 Cb 0.80 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3h88 h ASN 25 CO -0.04 0.68 -0.16 0.15 -1.65 0.00 0.00 177.43 176.41 3h88 h PHE 26 N 0.25 0.19 -0.91 1.19 3.57 -1.33 -3.15 116.94 116.75 3h88 h PHE 26 Ca 0.02 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3h88 h PHE 26 Cb 0.81 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 3h88 h PHE 26 CO 0.02 0.84 0.58 0.00 -2.23 0.00 0.00 178.31 177.52 3h88 h ALA 27 N 0.30 1.16 0.00 2.41 0.00 -0.90 -1.82 119.26 120.42 3h88 h ALA 27 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3h88 h ALA 27 Cb 0.88 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3h88 h ALA 27 CO 0.03 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.81 3h88 h ARG 28 N 1.25 0.00 -0.19 0.00 3.08 -1.12 0.79 114.38 118.20 3h88 h ARG 28 Ca 0.33 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.31 3h88 h ARG 28 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3h88 h ARG 28 CO -0.07 0.07 -0.21 0.00 -1.07 0.00 0.00 179.97 178.69 3h88 h ARG 29 N 0.00 0.33 0.06 0.04 3.08 -1.28 -3.35 114.38 113.25 3h88 h ARG 29 Ca -0.00 -0.10 -0.36 0.00 0.07 0.00 0.00 59.98 59.59 3h88 h ARG 29 Cb 0.62 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3h88 h ARG 29 CO 0.01 0.53 -2.11 -0.89 -1.07 0.00 0.00 179.97 176.44 3h88 n ILE 30 N -4.18 1.64 -4.08 2.04 2.08 -0.65 -4.55 119.36 111.65 3h88 n ILE 30 Ca -0.01 -0.68 -0.33 0.00 0.56 0.00 0.00 62.75 62.29 3h88 n ILE 30 Cb 0.35 -1.39 -0.07 0.00 -0.75 0.00 0.00 39.64 37.78 3h88 n ILE 30 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3h88 s LEU 31 N -6.56 3.94 0.61 1.39 1.43 0.18 -4.41 118.68 115.24 3h88 s LEU 31 Ca -0.21 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 3h88 s LEU 31 Cb 0.07 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3h88 s LEU 31 CO 0.74 0.27 1.03 0.42 0.23 0.00 0.00 176.35 179.04 3h88 s THR 32 N -1.21 4.34 0.54 5.49 -4.23 -1.26 -4.61 115.64 114.69 3h88 s THR 32 Ca 0.23 0.91 0.23 0.00 -1.18 0.00 0.00 61.69 61.89 3h88 s THR 32 Cb -0.12 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.44 3h88 s THR 32 CO 0.15 -0.84 2.06 0.44 -0.54 0.00 0.00 174.62 175.89 3h88 h ASP 33 N 0.05 0.00 -0.14 3.99 3.32 -1.99 0.38 116.42 122.03 3h88 h ASP 33 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3h88 h ASP 33 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 3h88 h ASP 33 CO 0.60 0.00 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.79 3h88 h SER 34 N 0.00 0.29 0.76 6.45 0.87 -2.03 -2.90 113.55 116.98 3h88 h SER 34 Ca 0.14 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3h88 h SER 34 Cb 0.61 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3h88 h SER 34 CO -0.00 0.61 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.53 3h88 h GLU 35 N -0.04 0.00 0.00 2.24 5.08 -0.66 -2.88 114.58 118.32 3h88 h GLU 35 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3h88 h GLU 35 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h88 h GLU 35 CO 0.02 0.05 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.93 3h88 h LEU 36 N 0.00 0.00 -0.27 1.33 3.38 -0.96 -1.55 115.31 117.24 3h88 h LEU 36 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h88 h LEU 36 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3h88 h LEU 36 CO 0.01 0.08 0.13 -0.08 0.09 0.00 0.00 178.44 178.66 3h88 h GLU 37 N 0.00 0.38 -0.21 1.13 4.81 -1.56 0.64 114.58 119.78 3h88 h GLU 37 Ca -0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 3h88 h GLU 37 Cb 0.16 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3h88 h GLU 37 CO 0.01 0.38 -0.50 1.96 -0.73 0.00 0.00 179.01 180.12 3h88 h GLN 38 N 0.30 0.58 -0.29 1.92 4.20 -1.57 -2.75 115.11 117.49 3h88 h GLN 38 Ca 0.09 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3h88 h GLN 38 Cb 0.12 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3h88 h GLN 38 CO -0.01 0.95 0.16 0.35 -0.67 0.00 0.00 178.83 179.61 3h88 h PHE 39 N 0.45 0.31 -0.07 2.96 3.57 -1.02 -2.53 116.94 120.62 3h88 h PHE 39 Ca 0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3h88 h PHE 39 Cb 1.04 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3h88 h PHE 39 CO 0.04 0.18 -0.11 0.45 -2.23 0.00 0.00 178.31 176.64 3h88 h HIS 40 N 0.34 0.10 0.00 0.41 3.86 -0.80 -0.79 115.15 118.27 3h88 h HIS 40 Ca 0.12 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3h88 h HIS 40 Cb 0.01 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3h88 h HIS 40 CO -0.08 0.21 0.00 0.00 0.86 0.00 0.00 177.93 178.92 3h88 h ALA 41 N 1.79 1.00 -2.57 2.45 0.00 -1.16 -3.46 119.26 117.31 3h88 h ALA 41 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.43 3h88 h ALA 41 Cb 0.26 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.11 3h88 h ALA 41 CO 0.02 0.00 0.44 0.45 0.00 0.00 0.00 179.25 180.16 3h88 s SER 42 N -4.99 6.09 0.00 0.00 0.15 -0.30 -4.94 113.70 109.71 3h88 s SER 42 Ca 0.05 2.16 0.20 0.00 0.70 0.00 0.00 55.95 59.06 3h88 s SER 42 Cb 0.09 -2.59 0.39 0.00 -1.71 0.00 0.00 66.02 62.20 3h88 s SER 42 CO 0.52 -0.96 1.32 0.29 1.20 0.00 0.00 173.24 175.61 3h88 n LYS 43 N -0.83 2.36 -3.20 5.44 5.02 -1.26 -4.46 118.16 121.23 3h88 n LYS 43 Ca 0.09 -2.16 -0.23 0.00 -2.02 0.00 0.00 58.31 53.99 3h88 n LYS 43 Cb 0.50 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 3h88 n LYS 43 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3h88 n GLN 44 N 1.24 1.13 -0.28 1.97 1.13 -1.26 -5.00 117.38 116.31 3h88 n GLN 44 Ca 0.17 -3.52 -0.04 0.00 -1.94 0.00 0.00 57.00 51.67 3h88 n GLN 44 Cb 0.54 -1.53 0.10 0.00 0.11 0.00 0.00 30.24 29.46 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3h88 h GLN 45 N 3.67 1.16 -0.64 -1.09 4.20 -1.88 -0.51 115.11 120.02 3h88 h GLN 45 Ca 0.10 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3h88 h GLN 45 Cb 0.86 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3h88 h GLN 45 CO 0.53 0.91 0.32 0.78 -0.67 0.00 0.00 178.83 180.70 3h88 h GLY 46 N 1.17 0.99 0.89 3.46 0.00 -1.94 -0.18 103.07 107.44 3h88 h GLY 46 Ca 0.27 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3h88 h GLY 46 CO -0.03 0.46 0.08 3.21 0.00 0.00 0.00 176.54 180.25 3h88 h ARG 47 N 0.89 0.41 -0.26 4.80 3.08 -1.81 0.15 114.38 121.63 3h88 h ARG 47 Ca 0.22 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.24 3h88 h ARG 47 Cb 0.10 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 3h88 h ARG 47 CO -0.03 0.49 -0.15 0.35 -1.07 0.00 0.00 179.97 179.56 3h88 h PHE 48 N 0.26 -0.37 -0.33 3.04 3.57 -0.96 -2.30 116.94 119.85 3h88 h PHE 48 Ca 0.08 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 3h88 h PHE 48 Cb 0.26 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3h88 h PHE 48 CO 0.01 -0.22 -0.42 1.25 -2.23 0.00 0.00 178.31 176.70 3h88 h LEU 49 N -0.12 0.87 -0.79 0.59 5.85 -0.86 -2.24 115.31 118.61 3h88 h LEU 49 Ca 0.14 -0.41 0.12 0.00 0.84 0.00 0.00 57.88 58.58 3h88 h LEU 49 Cb 0.34 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 3h88 h LEU 49 CO -0.34 1.17 0.40 0.00 -0.34 0.00 0.00 178.44 179.33 3h88 h ALA 50 N 0.87 1.14 -0.53 1.25 0.00 -0.49 0.20 119.26 121.70 3h88 h ALA 50 Ca 0.05 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 50 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3h88 h ALA 50 CO 0.09 -0.05 -0.05 0.87 0.00 0.00 0.00 179.25 180.11 3h88 h LYS 51 N 0.63 0.94 -0.20 0.00 1.57 -1.19 -0.98 116.57 117.34 3h88 h LYS 51 Ca 0.41 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 3h88 h LYS 51 Cb 0.51 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3h88 h LYS 51 CO -0.32 0.96 -0.57 0.00 -0.57 0.00 0.00 179.45 178.95 3h88 h ARG 52 N 0.86 0.64 -0.08 3.15 2.47 -0.85 -1.23 114.38 119.33 3h88 h ARG 52 Ca 0.15 -0.42 0.01 0.00 -1.26 0.00 0.00 59.98 58.46 3h88 h ARG 52 Cb 0.57 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3h88 h ARG 52 CO 0.03 1.03 0.03 0.35 0.56 0.00 0.00 179.97 181.98 3h88 h PHE 53 N 0.48 0.05 -0.54 3.04 3.57 -0.33 -0.54 116.94 122.67 3h88 h PHE 53 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3h88 h PHE 53 Cb 1.14 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3h88 h PHE 53 CO 0.05 0.03 0.31 0.00 -2.23 0.00 0.00 178.31 176.47 3h88 h ALA 54 N 1.05 0.69 -0.75 2.41 0.00 -1.09 -0.84 119.26 120.72 3h88 h ALA 54 Ca 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3h88 h ALA 54 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3h88 h ALA 54 CO -0.04 0.20 0.31 0.00 0.00 0.00 0.00 179.25 179.73 3h88 h ALA 55 N 1.14 0.98 -0.20 0.00 0.00 -0.87 -0.68 119.26 119.62 3h88 h ALA 55 Ca 0.19 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3h88 h ALA 55 Cb 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3h88 h ALA 55 CO -0.03 0.59 -0.57 0.87 0.00 0.00 0.00 179.25 180.11 3h88 h LYS 56 N 1.08 0.74 -0.36 0.00 1.57 -0.94 -0.53 116.57 118.12 3h88 h LYS 56 Ca 0.25 -0.53 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3h88 h LYS 56 Cb 0.19 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3h88 h LYS 56 CO -0.02 1.15 0.24 0.93 -0.57 0.00 0.00 179.45 181.17 3h88 h GLU 57 N 0.46 0.47 -0.56 3.15 5.08 -1.03 -0.51 114.58 121.64 3h88 h GLU 57 Ca -0.01 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3h88 h GLU 57 Cb 1.19 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 3h88 h GLU 57 CO 0.12 0.31 0.24 0.00 -1.00 0.00 0.00 179.01 178.69 3h88 h ALA 58 N 1.14 0.72 -0.64 3.43 0.00 -1.04 -1.90 119.26 120.97 3h88 h ALA 58 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3h88 h ALA 58 Cb -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h88 h ALA 58 CO -0.03 -0.14 0.20 0.00 0.00 0.00 0.00 179.25 179.27 3h88 h ALA 59 N 1.35 1.14 -0.20 0.00 0.00 -0.75 -1.58 119.26 119.22 3h88 h ALA 59 Ca 0.27 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 59 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h88 h ALA 59 CO -0.23 0.60 -0.23 0.66 0.00 0.00 0.00 179.25 180.04 3h88 h SER 60 N 0.95 0.36 -0.20 0.00 4.64 -0.63 -1.02 113.55 117.65 3h88 h SER 60 Ca 0.21 -0.11 -0.20 0.00 -0.47 0.00 0.00 61.79 61.22 3h88 h SER 60 Cb 0.28 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3h88 h SER 60 CO -0.01 0.60 -0.66 0.11 -0.87 0.00 0.00 176.83 176.01 3h88 h LYS 61 N 0.33 0.82 -0.24 4.77 1.57 -1.06 -0.89 116.57 121.87 3h88 h LYS 61 Ca 0.05 -0.58 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 3h88 h LYS 61 Cb 0.60 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3h88 h LYS 61 CO 0.04 1.21 0.04 0.00 -0.57 0.00 0.00 179.45 180.17 3h88 h ALA 62 N 0.65 1.64 0.00 3.86 0.00 -0.88 -1.22 119.26 123.30 3h88 h ALA 62 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3h88 h ALA 62 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3h88 h ALA 62 CO 0.14 0.28 -0.23 1.25 0.00 0.00 0.00 179.25 180.69 3h88 h LEU 63 N 0.33 0.00 0.00 0.00 5.85 -1.11 -3.35 115.31 117.03 3h88 h LEU 63 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3h88 h LEU 63 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3h88 h LEU 63 CO -0.00 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.94 3h88 n GLY 64 N 0.29 0.38 0.02 3.75 0.00 -0.46 -4.94 105.19 104.22 3h88 n GLY 64 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -1.87 0.20 -4.76 2.61 -2.24 -1.08 -5.01 114.28 102.13 3h88 n THR 65 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3h88 n THR 65 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3h88 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h88 n GLY 66 N 1.88 -0.80 3.47 3.38 0.00 -0.36 -4.04 105.19 108.72 3h88 n GLY 66 Ca -0.07 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.46 3h88 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h88 s ILE 67 N 0.00 4.74 0.06 -0.61 -1.09 -1.26 -4.76 121.20 118.27 3h88 s ILE 67 Ca 0.00 -1.92 -0.26 0.00 -2.23 0.00 0.00 60.65 56.24 3h88 s ILE 67 Cb 0.00 -4.88 0.09 0.00 -1.58 0.00 0.00 42.46 36.09 3h88 s ILE 67 CO 0.00 -1.62 1.20 0.00 -1.23 0.00 0.00 174.94 173.29 3h88 s ALA 68 N 2.56 -2.16 -1.39 9.38 0.00 -0.92 -4.97 121.76 124.27 3h88 s ALA 68 Ca 0.39 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.14 3h88 s ALA 68 Cb -0.03 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.00 3h88 s ALA 68 CO -0.05 -1.12 0.57 1.04 0.00 0.00 0.00 175.76 176.20 3h88 n GLN 69 N -0.84 -4.04 -0.44 0.00 1.13 -1.26 -0.59 117.38 111.33 3h88 n GLN 69 Ca 0.02 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 3h88 n GLN 69 Cb 0.59 -5.39 0.00 0.00 0.11 0.00 0.00 30.24 25.55 3h88 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h88 n GLY 70 N -1.32 1.74 3.70 1.08 0.00 -1.26 -5.02 105.19 104.10 3h88 n GLY 70 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3h88 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h88 s VAL 71 N -3.30 5.02 0.37 1.61 1.01 0.24 -4.60 120.40 120.75 3h88 s VAL 71 Ca 0.00 1.39 0.09 0.00 0.00 0.00 0.00 61.98 63.45 3h88 s VAL 71 Cb 0.00 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 3h88 s VAL 71 CO 0.00 0.19 -0.04 0.42 0.00 0.00 0.00 175.10 175.67 3h88 s THR 72 N 1.23 2.20 0.52 3.92 -4.23 -1.26 -2.16 115.64 115.87 3h88 s THR 72 Ca 0.35 -2.10 0.20 0.00 -1.18 0.00 0.00 61.69 58.96 3h88 s THR 72 Cb -0.17 -2.79 0.33 0.00 1.34 0.00 0.00 72.50 71.21 3h88 s THR 72 CO 0.15 -0.13 2.07 -0.26 -0.54 0.00 0.00 174.62 175.91 3h88 h PHE 73 N 1.90 0.03 0.00 3.99 -1.00 -1.88 -0.85 116.94 119.13 3h88 h PHE 73 Ca -0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.35 3h88 h PHE 73 Cb 1.25 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.80 3h88 h PHE 73 CO 0.75 0.01 0.00 0.72 -1.61 0.00 0.00 178.31 178.18 3h88 n HIS 74 N -4.46 0.00 1.78 -0.55 8.25 -1.26 -2.66 115.22 116.32 3h88 n HIS 74 Ca 0.04 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.65 3h88 n HIS 74 Cb 0.34 -0.34 0.83 0.00 1.12 0.00 0.00 29.99 31.94 3h88 n HIS 74 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h88 n ASP 75 N -1.34 0.24 -4.22 0.41 8.00 -0.32 -4.76 116.55 114.56 3h88 n ASP 75 Ca 0.09 -0.88 -0.30 0.00 0.71 0.00 0.00 54.79 54.40 3h88 n ASP 75 Cb 0.19 -0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.07 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h88 s PHE 76 N -2.14 2.26 -0.06 1.24 0.40 -1.09 -0.38 117.98 118.20 3h88 s PHE 76 Ca 0.42 -0.71 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3h88 s PHE 76 Cb 0.21 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 42.25 3h88 s PHE 76 CO 0.39 -0.24 -0.19 0.99 0.70 0.00 0.00 175.22 176.88 3h88 s THR 77 N -0.02 1.58 -0.22 0.64 2.01 -0.04 -4.82 115.64 114.78 3h88 s THR 77 Ca -0.06 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 3h88 s THR 77 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3h88 s THR 77 CO 0.04 0.45 0.11 -0.63 -0.69 0.00 0.00 174.62 173.91 3h88 s ILE 78 N 0.18 5.02 0.00 1.82 1.09 -1.26 -1.38 121.20 126.66 3h88 s ILE 78 Ca -0.09 0.06 0.00 0.00 -1.10 0.00 0.00 60.65 59.52 3h88 s ILE 78 Cb -0.14 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.95 3h88 s ILE 78 CO 0.04 0.39 0.00 -1.54 -0.10 0.00 0.00 174.94 173.73 3h88 n SER 79 N 4.07 1.33 -3.99 3.58 3.41 0.48 -4.95 113.62 117.55 3h88 n SER 79 Ca -0.16 -0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 57.46 3h88 n SER 79 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3h88 n SER 79 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3h88 s HIS 80 N -1.18 0.30 0.61 7.33 3.76 -1.26 -0.28 115.29 124.57 3h88 s HIS 80 Ca 0.00 -0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 54.22 3h88 s HIS 80 Cb 0.00 -0.22 0.14 0.00 1.11 0.00 0.00 32.58 33.61 3h88 s HIS 80 CO 0.00 -0.24 0.83 -0.40 -0.85 0.00 0.00 174.74 174.08 3h88 n ASP 81 N 1.25 0.32 0.29 1.40 5.68 -0.45 -4.92 116.55 120.12 3h88 n ASP 81 Ca -0.22 -1.46 0.18 0.00 -0.50 0.00 0.00 54.79 52.79 3h88 n ASP 81 Cb 0.56 -0.61 0.83 0.00 -1.14 0.00 0.00 41.12 40.76 3h88 n ASP 81 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3h88 h LYS 82 N 0.00 0.00 -0.02 0.11 2.10 -2.02 -1.73 116.57 115.00 3h88 h LYS 82 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3h88 h LYS 82 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 3h88 h LYS 82 CO 0.21 0.04 -0.02 1.28 -2.00 0.00 0.00 179.45 178.96 3h88 n LEU 83 N -3.21 2.31 0.00 7.07 4.77 -1.26 -4.95 117.00 121.73 3h88 n LEU 83 Ca -0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3h88 n LEU 83 Cb 0.24 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3h88 n LEU 83 CO 0.26 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3h88 n GLY 84 N 1.28 0.66 3.72 -0.72 0.00 -0.65 -5.06 105.19 104.42 3h88 n GLY 84 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3h88 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h88 s LYS 85 N -0.81 4.20 0.35 1.61 2.20 -1.26 -4.75 119.74 121.28 3h88 s LYS 85 Ca 0.00 2.39 -0.26 0.00 -0.36 0.00 0.00 55.97 57.74 3h88 s LYS 85 Cb 0.00 -3.14 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 3h88 s LYS 85 CO 0.00 -0.62 1.06 -1.25 -0.36 0.00 0.00 175.35 174.18 3h88 s PRO 86 N 1.10 4.38 0.03 4.03 0.04 -1.26 -1.34 135.00 141.98 3h88 s PRO 86 Ca 0.70 1.62 0.08 0.00 0.04 0.00 0.00 61.00 63.43 3h88 s PRO 86 Cb -0.44 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 3h88 s PRO 86 CO 0.32 0.03 -0.22 -0.51 0.04 0.00 0.00 177.00 176.65 3h88 s LEU 87 N -2.12 2.14 -0.15 -3.56 1.43 0.62 -4.61 118.68 112.43 3h88 s LEU 87 Ca 0.52 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3h88 s LEU 87 Cb -0.26 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 44.91 3h88 s LEU 87 CO 0.33 0.20 -0.21 -0.22 0.23 0.00 0.00 176.35 176.68 3h88 s LEU 88 N -1.03 2.09 -0.09 1.79 2.96 -1.26 -0.39 118.68 122.75 3h88 s LEU 88 Ca 0.08 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3h88 s LEU 88 Cb -0.09 -1.43 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3h88 s LEU 88 CO 0.01 0.06 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.26 3h88 s ILE 89 N 0.92 1.86 0.23 6.68 1.01 -0.48 -4.92 121.20 126.49 3h88 s ILE 89 Ca -0.05 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 3h88 s ILE 89 Cb -0.15 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.64 3h88 s ILE 89 CO -0.04 0.52 0.50 -0.76 0.00 0.00 0.00 174.94 175.16 3h88 s LEU 90 N 0.40 4.16 0.00 2.97 1.43 -1.26 -0.86 118.68 125.52 3h88 s LEU 90 Ca -0.18 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3h88 s LEU 90 Cb -0.17 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.51 3h88 s LEU 90 CO 0.08 -0.08 0.22 -1.54 0.23 0.00 0.00 176.35 175.26 3h88 n SER 91 N -0.33 -0.62 0.00 2.29 3.41 0.48 -4.62 113.62 114.24 3h88 n SER 91 Ca -0.01 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3h88 n SER 91 Cb 0.53 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 3h88 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h88 n GLY 92 N -0.25 1.94 0.28 5.00 0.00 -1.26 -1.75 105.19 109.15 3h88 n GLY 92 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.62 3h88 n GLY 92 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h88 h GLN 93 N 0.00 0.56 -0.51 1.61 1.08 -1.94 -2.21 115.11 113.70 3h88 h GLN 93 Ca 0.00 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3h88 h GLN 93 Cb 0.00 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3h88 h GLN 93 CO 0.00 0.53 0.23 0.00 -0.95 0.00 0.00 178.83 178.63 3h88 h ALA 94 N 1.54 0.65 -0.60 3.87 0.00 -1.77 -0.26 119.26 122.69 3h88 h ALA 94 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 94 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3h88 h ALA 94 CO -0.00 0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.71 3h88 h ALA 95 N 1.07 1.26 -0.14 0.00 0.00 -0.86 0.36 119.26 120.94 3h88 h ALA 95 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 95 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 95 CO -0.02 0.54 0.01 0.93 0.00 0.00 0.00 179.25 180.71 3h88 h GLU 96 N 0.87 0.24 -0.37 0.00 5.08 -0.85 0.70 114.58 120.25 3h88 h GLU 96 Ca 0.20 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3h88 h GLU 96 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3h88 h GLU 96 CO -0.02 0.45 0.22 -0.07 -1.00 0.00 0.00 179.01 178.60 3h88 h LEU 97 N 0.00 0.37 -1.15 1.33 4.07 -0.95 -1.63 115.31 117.35 3h88 h LEU 97 Ca 0.04 -0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.03 3h88 h LEU 97 Cb 0.33 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 3h88 h LEU 97 CO 0.00 0.27 0.58 0.00 -1.08 0.00 0.00 178.44 178.21 3h88 h ALA 98 N 1.16 1.43 -0.50 1.53 0.00 -0.66 -0.17 119.26 122.04 3h88 h ALA 98 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3h88 h ALA 98 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3h88 h ALA 98 CO -0.06 0.49 0.15 0.77 0.00 0.00 0.00 179.25 180.60 3h88 h SER 99 N 1.12 0.73 -0.64 0.00 0.02 -0.54 -1.13 113.55 113.11 3h88 h SER 99 Ca 0.34 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3h88 h SER 99 Cb -0.02 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3h88 h SER 99 CO -0.10 0.75 0.39 1.56 -1.14 0.00 0.00 176.83 178.29 3h88 h GLN 100 N 0.68 0.89 0.00 3.45 4.20 -0.55 -1.25 115.11 122.53 3h88 h GLN 100 Ca 0.16 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3h88 h GLN 100 Cb 0.29 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3h88 h GLN 100 CO -0.00 0.63 0.00 1.28 -0.67 0.00 0.00 178.83 180.07 3h88 n LEU 101 N -4.40 0.00 -3.04 1.46 4.77 -0.15 -4.91 117.00 110.74 3h88 n LEU 101 Ca 0.07 0.14 -0.23 0.00 -0.03 0.00 0.00 56.01 55.96 3h88 n LEU 101 Cb 0.08 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3h88 n LEU 101 CO 0.37 -0.01 -0.00 0.00 -1.33 0.00 0.00 177.39 176.41 3h88 n GLN 102 N -1.14 -4.91 -2.01 3.23 6.02 -0.47 -4.87 117.38 113.23 3h88 n GLN 102 Ca 0.18 0.90 -0.42 0.00 -0.01 0.00 0.00 57.00 57.65 3h88 n GLN 102 Cb 0.16 -5.77 -0.03 0.00 1.02 0.00 0.00 30.24 25.62 3h88 n GLN 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h88 s VAL 103 N -3.18 2.82 0.00 5.09 1.01 -0.51 -4.41 120.40 121.22 3h88 s VAL 103 Ca 0.31 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.89 3h88 s VAL 103 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3h88 s VAL 103 CO 0.38 0.05 0.00 -1.84 0.00 0.00 0.00 175.10 173.69 3h88 n GLU 104 N 3.82 4.38 -3.75 2.72 0.28 -0.31 -4.81 120.64 122.97 3h88 n GLU 104 Ca 0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.99 3h88 n GLU 104 Cb 0.40 -0.60 -0.15 0.00 1.43 0.00 0.00 31.44 32.53 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3h88 s ASN 105 N -1.15 -0.09 -0.08 -1.84 0.01 -0.91 -5.03 114.94 105.87 3h88 s ASN 105 Ca 0.00 0.27 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 3h88 s ASN 105 Cb 0.00 0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.83 3h88 s ASN 105 CO 0.00 -0.15 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.68 3h88 s ILE 106 N 1.16 1.28 -0.03 0.60 1.01 -1.26 -0.79 121.20 123.17 3h88 s ILE 106 Ca -0.09 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3h88 s ILE 106 Cb -0.12 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 3h88 s ILE 106 CO -0.06 0.39 -0.17 -1.00 0.00 0.00 0.00 174.94 174.10 3h88 s HIS 107 N 0.70 1.65 -0.04 3.97 3.76 -0.06 -4.80 115.29 120.46 3h88 s HIS 107 Ca -0.14 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.34 3h88 s HIS 107 Cb -0.16 -1.10 0.02 0.00 1.11 0.00 0.00 32.58 32.46 3h88 s HIS 107 CO 0.03 -0.11 0.09 -1.17 -0.85 0.00 0.00 174.74 172.74 3h88 s LEU 108 N -0.13 1.27 0.02 0.89 2.96 -1.26 -0.98 118.68 121.45 3h88 s LEU 108 Ca 0.00 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3h88 s LEU 108 Cb -0.10 0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.83 3h88 s LEU 108 CO 0.01 -0.08 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.33 3h88 s SER 109 N 0.58 0.90 0.03 3.68 0.15 -0.34 -4.66 113.70 114.03 3h88 s SER 109 Ca -0.04 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.35 3h88 s SER 109 Cb -0.06 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 3h88 s SER 109 CO -0.02 -0.04 -0.19 -0.63 1.20 0.00 0.00 173.24 173.56 3h88 s ILE 110 N -0.71 1.53 -0.02 6.45 1.01 -1.26 -1.45 121.20 126.75 3h88 s ILE 110 Ca -0.02 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 3h88 s ILE 110 Cb -0.06 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3h88 s ILE 110 CO 0.00 0.22 0.22 -0.55 0.00 0.00 0.00 174.94 174.83 3h88 s SER 111 N -1.01 -0.11 0.03 3.58 0.15 -1.26 -5.01 113.70 110.07 3h88 s SER 111 Ca 0.06 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.74 3h88 s SER 111 Cb -0.08 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 3h88 s SER 111 CO 0.01 -0.34 0.01 1.51 1.20 0.00 0.00 173.24 175.63 3h88 s ASP 112 N -1.06 0.28 0.00 5.45 -4.77 -1.26 -4.41 116.67 110.90 3h88 s ASP 112 Ca -0.11 -0.62 0.00 0.00 -3.30 0.00 0.00 52.55 48.52 3h88 s ASP 112 Cb -0.06 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.93 3h88 s ASP 112 CO 0.02 -0.43 0.00 -0.62 0.70 0.00 0.00 175.17 174.85 3h88 n GLU 113 N 1.03 3.98 -0.18 2.11 -0.58 0.00 -5.00 120.64 122.01 3h88 n GLU 113 Ca -0.20 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.49 3h88 n GLU 113 Cb 0.57 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.50 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h88 h ARG 114 N 0.00 0.58 0.00 3.49 3.08 -2.04 -3.33 114.38 116.16 3h88 h ARG 114 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3h88 h ARG 114 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3h88 h ARG 114 CO 0.00 0.38 -1.80 0.72 -1.07 0.00 0.00 179.97 178.21 3h88 n HIS 115 N -4.82 0.00 -4.25 3.04 8.25 -1.26 -4.91 115.22 111.27 3h88 n HIS 115 Ca 0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.34 3h88 n HIS 115 Cb 0.11 -0.42 -0.13 0.00 1.12 0.00 0.00 29.99 30.67 3h88 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3h88 s TYR 116 N -3.09 0.90 0.47 4.41 1.51 -1.25 -1.09 117.35 119.21 3h88 s TYR 116 Ca -0.06 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 3h88 s TYR 116 Cb 0.10 -0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 41.37 3h88 s TYR 116 CO 0.69 -0.01 0.09 0.00 -1.11 0.00 0.00 175.55 175.21 3h88 s ALA 117 N -0.78 3.80 -0.30 3.71 0.00 -0.35 -0.82 121.76 127.03 3h88 s ALA 117 Ca -0.01 -1.33 -0.35 0.00 0.00 0.00 0.00 51.96 50.27 3h88 s ALA 117 Cb -0.07 -0.10 0.18 0.00 0.00 0.00 0.00 23.12 23.12 3h88 s ALA 117 CO 0.01 -0.13 1.39 0.00 0.00 0.00 0.00 175.76 177.03 3h88 s ALA 119 N -2.77 -2.18 0.01 0.00 0.00 -0.65 -0.14 121.76 116.02 3h88 s ALA 119 Ca 0.24 1.93 0.02 0.00 0.00 0.00 0.00 51.96 54.15 3h88 s ALA 119 Cb 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3h88 s ALA 119 CO 0.13 -0.42 -0.07 0.99 0.00 0.00 0.00 175.76 176.39 3h88 s THR 120 N -1.61 0.55 -0.01 0.00 2.01 -0.53 -1.34 115.64 114.71 3h88 s THR 120 Ca 0.11 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.70 3h88 s THR 120 Cb -0.01 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 3h88 s THR 120 CO -0.05 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.09 3h88 s VAL 121 N -0.41 1.14 -0.04 3.82 1.01 -0.06 -1.20 120.40 124.66 3h88 s VAL 121 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3h88 s VAL 121 Cb -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3h88 s VAL 121 CO -0.00 0.32 -0.14 -0.63 0.00 0.00 0.00 175.10 174.65 3h88 s ILE 122 N -0.34 1.23 -0.12 2.22 1.01 -0.15 -1.15 121.20 123.91 3h88 s ILE 122 Ca 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 3h88 s ILE 122 Cb -0.06 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 3h88 s ILE 122 CO -0.01 0.36 -0.00 -0.76 0.00 0.00 0.00 174.94 174.54 3h88 s LEU 123 N 0.17 3.50 0.01 2.97 1.43 -0.58 -0.88 118.68 125.29 3h88 s LEU 123 Ca -0.05 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3h88 s LEU 123 Cb -0.11 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3h88 s LEU 123 CO 0.02 0.29 -0.10 -0.70 0.23 0.00 0.00 176.35 176.09 3h88 s GLU 124 N -0.35 0.75 0.00 1.70 2.12 0.03 -0.36 118.70 122.60 3h88 s GLU 124 Ca 0.07 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 55.03 3h88 s GLU 124 Cb -0.12 -0.71 0.07 0.00 0.26 0.00 0.00 34.13 33.62 3h88 s GLU 124 CO 0.02 0.19 0.76 2.89 -0.54 0.00 0.00 175.26 178.58