#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 2.75 -0.20 0.00 1.01 -1.26 -4.93 121.20 118.57 3h88 s ILE 2 Ca 0.00 -0.76 0.22 0.00 0.00 0.00 0.00 60.65 60.11 3h88 s ILE 2 Cb 0.00 -2.15 -0.32 0.00 0.01 0.00 0.00 42.46 40.01 3h88 s ILE 2 CO 0.00 0.52 0.56 1.33 0.00 0.00 0.00 174.94 177.36 3h88 n VAL 3 N 3.75 0.01 -3.55 2.92 0.24 0.80 -4.92 118.33 117.57 3h88 n VAL 3 Ca -0.19 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.34 61.63 3h88 n VAL 3 Cb 0.52 0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h88 s GLY 4 N -4.25 -0.34 -0.02 7.63 0.00 -1.11 -4.96 107.32 104.27 3h88 s GLY 4 Ca -0.05 1.49 -0.00 0.00 0.00 0.00 0.00 44.72 46.15 3h88 s GLY 4 CO 0.90 0.57 0.03 -2.27 0.00 0.00 0.00 173.10 172.33 3h88 s LEU 5 N -2.05 1.44 0.02 0.66 2.96 -1.25 -1.21 118.68 119.25 3h88 s LEU 5 Ca 0.05 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3h88 s LEU 5 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.69 3h88 s LEU 5 CO -0.05 -0.07 0.06 -0.83 -1.32 0.00 0.00 176.35 174.13 3h88 s GLY 6 N 0.60 0.17 0.05 7.98 0.00 -0.19 -3.68 107.32 112.26 3h88 s GLY 6 Ca -0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 3h88 s GLY 6 CO -0.02 -0.56 0.13 -1.08 0.00 0.00 0.00 173.10 171.57 3h88 s THR 7 N -1.79 0.14 -0.13 0.90 -1.32 -1.26 -0.90 115.64 111.27 3h88 s THR 7 Ca -0.12 -1.16 -0.26 0.00 -1.21 0.00 0.00 61.69 58.94 3h88 s THR 7 Cb -0.06 -1.10 0.06 0.00 -1.51 0.00 0.00 72.50 69.89 3h88 s THR 7 CO -0.01 -0.64 0.64 -0.62 -2.21 0.00 0.00 174.62 171.78 3h88 s ASP 8 N -2.42 -0.63 -0.06 8.08 2.15 -0.40 -4.52 116.67 118.86 3h88 s ASP 8 Ca -0.01 0.93 0.05 0.00 0.43 0.00 0.00 52.55 53.96 3h88 s ASP 8 Cb 0.02 0.88 -0.01 0.00 -0.30 0.00 0.00 42.92 43.51 3h88 s ASP 8 CO -0.07 -0.43 -0.23 -0.51 -0.17 0.00 0.00 175.17 173.77 3h88 s ILE 9 N -0.52 1.90 -0.04 4.11 2.07 -1.26 -1.87 121.20 125.60 3h88 s ILE 9 Ca -0.06 -0.97 0.04 0.00 -1.41 0.00 0.00 60.65 58.25 3h88 s ILE 9 Cb -0.03 -1.62 -0.00 0.00 0.13 0.00 0.00 42.46 40.94 3h88 s ILE 9 CO 0.05 0.53 -0.18 0.00 -1.91 0.00 0.00 174.94 173.44 3h88 s ALA 10 N -0.00 1.56 -0.29 1.50 0.00 0.13 -4.99 121.76 119.68 3h88 s ALA 10 Ca -0.07 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 3h88 s ALA 10 Cb -0.14 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3h88 s ALA 10 CO 0.04 0.29 1.02 -2.00 0.00 0.00 0.00 175.76 175.11 3h88 s GLU 11 N 0.01 4.12 0.24 0.00 2.12 -1.26 -1.25 118.70 122.67 3h88 s GLU 11 Ca -0.03 1.09 -0.05 0.00 0.36 0.00 0.00 54.97 56.33 3h88 s GLU 11 Cb -0.11 -3.70 0.26 0.00 0.26 0.00 0.00 34.13 30.83 3h88 s GLU 11 CO 0.02 -0.78 1.81 0.82 -0.54 0.00 0.00 175.26 176.59 3h88 h ILE 12 N 5.62 1.25 -0.42 -3.70 2.04 -1.56 -2.58 117.51 118.15 3h88 h ILE 12 Ca -0.21 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3h88 h ILE 12 Cb 1.07 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3h88 h ILE 12 CO 0.99 0.32 0.25 -0.08 0.00 0.00 0.00 178.15 179.63 3h88 h GLU 13 N 1.05 0.57 -0.67 2.37 4.81 -1.92 -0.52 114.58 120.26 3h88 h GLU 13 Ca 0.24 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3h88 h GLU 13 Cb 0.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3h88 h GLU 13 CO -0.02 0.41 0.25 0.00 -0.73 0.00 0.00 179.01 178.92 3h88 h ARG 14 N 0.58 0.99 -0.49 1.92 3.08 -1.85 -0.71 114.38 117.91 3h88 h ARG 14 Ca 0.15 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3h88 h ARG 14 Cb -0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3h88 h ARG 14 CO -0.03 0.82 -0.01 0.28 -1.07 0.00 0.00 179.97 179.96 3h88 h VAL 15 N 0.97 1.26 -0.69 2.04 2.07 -1.37 -1.31 116.25 119.23 3h88 h VAL 15 Ca 0.22 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3h88 h VAL 15 Cb 0.21 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3h88 h VAL 15 CO -0.02 0.38 0.18 -0.33 0.02 0.00 0.00 177.57 177.80 3h88 h GLU 16 N 0.72 1.10 -0.54 1.57 5.08 -0.78 -1.00 114.58 120.73 3h88 h GLU 16 Ca 0.14 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3h88 h GLU 16 Cb 0.53 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3h88 h GLU 16 CO 0.03 0.97 -0.01 0.87 -1.00 0.00 0.00 179.01 179.87 3h88 h LYS 17 N 1.03 0.96 -0.87 2.33 1.57 -1.03 -1.59 116.57 118.97 3h88 h LYS 17 Ca 0.22 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3h88 h LYS 17 Cb 0.36 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3h88 h LYS 17 CO 0.00 0.97 0.53 0.00 -0.57 0.00 0.00 179.45 180.38 3h88 h ALA 18 N 0.95 1.11 -0.30 3.86 0.00 -0.97 -2.24 119.26 121.67 3h88 h ALA 18 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 18 Cb 0.55 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3h88 h ALA 18 CO 0.03 0.56 -0.00 -0.07 0.00 0.00 0.00 179.25 179.77 3h88 h LEU 19 N 1.19 0.42 -0.91 0.00 3.38 -0.79 0.41 115.31 119.02 3h88 h LEU 19 Ca 0.31 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3h88 h LEU 19 Cb -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3h88 h LEU 19 CO -0.06 0.49 -0.26 0.00 0.09 0.00 0.00 178.44 178.70 3h88 h ALA 20 N 1.57 0.97 0.00 1.53 0.00 -0.74 0.53 119.26 123.12 3h88 h ALA 20 Ca 0.10 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 3h88 h ALA 20 Cb 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3h88 h ALA 20 CO 0.01 0.33 -1.31 0.54 0.00 0.00 0.00 179.25 178.82 3h88 n ARG 21 N -3.36 0.55 0.00 0.00 1.74 -0.90 -4.76 116.66 109.93 3h88 n ARG 21 Ca 0.01 0.54 0.02 0.00 -0.77 0.00 0.00 57.85 57.65 3h88 n ARG 21 Cb 0.48 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 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 -4.43 0.29 0.00 0.55 7.64 0.10 -5.06 113.62 112.70 3h88 n SER 22 Ca -0.32 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3h88 n SER 22 Cb 0.66 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 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 1.04 3.36 0.33 0.23 0.00 0.18 -1.72 105.19 108.61 3h88 n GLY 23 Ca 0.01 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 0.17 -0.28 1.61 4.57 -1.95 -1.07 114.58 117.63 3h88 h GLU 24 Ca 0.00 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 3h88 h GLU 24 Cb 0.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3h88 h GLU 24 CO 0.00 0.11 -0.14 -0.91 -1.18 0.00 0.00 179.01 176.89 3h88 h ASN 25 N 0.17 0.46 0.03 1.04 2.35 -1.76 0.13 115.58 118.00 3h88 h ASN 25 Ca 0.18 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3h88 h ASN 25 Cb 0.50 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3h88 h ASN 25 CO -0.03 0.63 -0.01 0.15 -1.65 0.00 0.00 177.43 176.52 3h88 h PHE 26 N 0.44 -0.03 -0.82 1.19 3.57 -1.28 -3.20 116.94 116.81 3h88 h PHE 26 Ca 0.08 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3h88 h PHE 26 Cb 0.51 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 3h88 h PHE 26 CO 0.02 0.64 0.53 0.00 -2.23 0.00 0.00 178.31 177.27 3h88 h ALA 27 N 0.14 1.56 0.00 2.41 0.00 -0.98 -1.94 119.26 120.46 3h88 h ALA 27 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 27 Cb 0.69 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3h88 h ALA 27 CO 0.01 0.33 -0.21 0.00 0.00 0.00 0.00 179.25 179.38 3h88 h ARG 28 N 0.94 0.00 -0.14 0.00 3.08 -0.84 -0.20 114.38 117.22 3h88 h ARG 28 Ca 0.34 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 3h88 h ARG 28 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3h88 h ARG 28 CO -0.11 0.21 -0.16 0.00 -1.07 0.00 0.00 179.97 178.84 3h88 h ARG 29 N 0.00 0.23 0.02 0.04 3.08 -1.34 -3.33 114.38 113.08 3h88 h ARG 29 Ca -0.00 -0.06 -0.39 0.00 0.07 0.00 0.00 59.98 59.61 3h88 h ARG 29 Cb 0.67 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 3h88 h ARG 29 CO 0.03 0.39 -2.40 -0.89 -1.07 0.00 0.00 179.97 176.02 3h88 n ILE 30 N -4.25 1.53 -4.07 2.04 2.08 -0.89 -4.54 119.36 111.26 3h88 n ILE 30 Ca -0.01 -0.59 -0.36 0.00 0.56 0.00 0.00 62.75 62.35 3h88 n ILE 30 Cb 0.29 -1.43 -0.07 0.00 -0.75 0.00 0.00 39.64 37.67 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 4.06 0.69 1.39 1.43 -0.14 -4.40 118.68 115.16 3h88 s LEU 31 Ca -0.32 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 3h88 s LEU 31 Cb 0.09 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3h88 s LEU 31 CO 0.63 0.38 1.08 0.42 0.23 0.00 0.00 176.35 179.10 3h88 s THR 32 N -1.01 3.54 0.43 5.49 -4.23 -1.26 -4.65 115.64 113.95 3h88 s THR 32 Ca 0.16 0.60 0.19 0.00 -1.18 0.00 0.00 61.69 61.46 3h88 s THR 32 Cb -0.12 -3.15 0.40 0.00 1.34 0.00 0.00 72.50 70.97 3h88 s THR 32 CO 0.05 -0.56 1.83 0.44 -0.54 0.00 0.00 174.62 175.85 3h88 h ASP 33 N -0.43 0.38 -0.11 3.99 3.32 -1.98 -0.43 116.42 121.15 3h88 h ASP 33 Ca -0.45 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 3h88 h ASP 33 Cb 1.23 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3h88 h ASP 33 CO 0.54 0.13 -0.24 0.77 -1.72 0.00 0.00 179.24 178.72 3h88 h SER 34 N 0.36 0.55 1.24 6.45 4.64 -2.03 -2.85 113.55 121.92 3h88 h SER 34 Ca 0.50 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3h88 h SER 34 Cb 1.33 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3h88 h SER 34 CO -0.19 0.78 0.00 -0.33 -0.87 0.00 0.00 176.83 176.22 3h88 h GLU 35 N 0.48 0.00 -0.06 4.77 5.08 -1.43 -3.27 114.58 120.15 3h88 h GLU 35 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3h88 h GLU 35 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3h88 h GLU 35 CO 0.05 0.00 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.63 3h88 h LEU 36 N 0.00 0.13 0.10 1.33 3.38 -1.20 -2.50 115.31 116.54 3h88 h LEU 36 Ca 0.00 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h88 h LEU 36 Cb 0.62 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3h88 h LEU 36 CO 0.00 0.49 -0.12 -0.33 0.09 0.00 0.00 178.44 178.57 3h88 h GLU 37 N 0.11 -0.24 -0.77 1.13 5.08 -1.70 0.16 114.58 118.36 3h88 h GLU 37 Ca 0.01 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3h88 h GLU 37 Cb 0.70 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3h88 h GLU 37 CO 0.05 -0.16 0.34 1.96 -1.00 0.00 0.00 179.01 180.21 3h88 h GLN 38 N -0.25 1.12 -0.22 2.33 4.20 -1.76 -2.38 115.11 118.16 3h88 h GLN 38 Ca 0.01 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3h88 h GLN 38 Cb 0.25 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3h88 h GLN 38 CO -0.05 0.89 0.05 0.35 -0.67 0.00 0.00 178.83 179.41 3h88 h PHE 39 N 1.09 0.37 -0.24 2.96 3.57 -1.14 -2.42 116.94 121.14 3h88 h PHE 39 Ca 0.26 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3h88 h PHE 39 Cb 0.16 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3h88 h PHE 39 CO 0.01 0.47 0.13 0.45 -2.23 0.00 0.00 178.31 177.14 3h88 h HIS 40 N 0.17 0.31 0.00 0.41 3.86 -0.59 -1.31 115.15 118.00 3h88 h HIS 40 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3h88 h HIS 40 Cb 0.28 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3h88 h HIS 40 CO 0.01 0.23 0.00 0.00 0.86 0.00 0.00 177.93 179.03 3h88 h ALA 41 N 1.81 1.00 -2.69 2.45 0.00 -1.14 -3.47 119.26 117.22 3h88 h ALA 41 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.48 3h88 h ALA 41 Cb 0.02 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.90 3h88 h ALA 41 CO -0.01 0.00 0.45 0.45 0.00 0.00 0.00 179.25 180.13 3h88 s SER 42 N -5.49 5.47 0.00 0.00 0.15 -0.50 -4.95 113.70 108.38 3h88 s SER 42 Ca 0.04 2.26 0.14 0.00 0.70 0.00 0.00 55.95 59.10 3h88 s SER 42 Cb 0.08 -2.59 0.34 0.00 -1.71 0.00 0.00 66.02 62.15 3h88 s SER 42 CO 0.56 -1.40 1.26 0.29 1.20 0.00 0.00 173.24 175.15 3h88 n LYS 43 N -1.46 2.45 -3.12 5.44 5.02 -1.26 -4.53 118.16 120.69 3h88 n LYS 43 Ca 0.12 -2.05 -0.20 0.00 -2.02 0.00 0.00 58.31 54.17 3h88 n LYS 43 Cb 0.50 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.84 1.53 -0.25 1.97 6.02 -1.26 -5.00 117.38 121.23 3h88 n GLN 44 Ca 0.14 -3.74 0.02 0.00 -0.01 0.00 0.00 57.00 53.41 3h88 n GLN 44 Cb 0.46 -1.84 0.25 0.00 1.02 0.00 0.00 30.24 30.13 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3h88 h GLN 45 N 2.99 0.97 -0.25 -1.09 4.20 -1.88 -0.04 115.11 120.02 3h88 h GLN 45 Ca 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3h88 h GLN 45 Cb 0.86 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3h88 h GLN 45 CO 0.58 0.64 0.14 0.78 -0.67 0.00 0.00 178.83 180.31 3h88 h GLY 46 N 1.00 0.36 0.83 3.46 0.00 -1.94 0.54 103.07 107.32 3h88 h GLY 46 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3h88 h GLY 46 CO -0.09 0.15 0.03 3.21 0.00 0.00 0.00 176.54 179.84 3h88 h ARG 47 N 0.30 0.17 -0.40 4.80 3.08 -1.74 0.18 114.38 120.77 3h88 h ARG 47 Ca 0.09 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.18 3h88 h ARG 47 Cb 0.04 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 3h88 h ARG 47 CO -0.02 0.33 -0.18 0.35 -1.07 0.00 0.00 179.97 179.38 3h88 h PHE 48 N -0.02 -0.46 -0.08 3.04 3.57 -0.83 -2.17 116.94 119.99 3h88 h PHE 48 Ca 0.03 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.41 3h88 h PHE 48 Cb 0.23 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3h88 h PHE 48 CO 0.00 -0.27 -0.69 1.25 -2.23 0.00 0.00 178.31 176.38 3h88 h LEU 49 N -0.11 0.41 -0.75 0.59 5.85 -0.73 -2.30 115.31 118.27 3h88 h LEU 49 Ca 0.20 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3h88 h LEU 49 Cb 0.41 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3h88 h LEU 49 CO -0.47 0.98 0.38 0.00 -0.34 0.00 0.00 178.44 178.98 3h88 h ALA 50 N 1.02 0.96 -0.80 1.25 0.00 -0.39 0.10 119.26 121.40 3h88 h ALA 50 Ca -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h88 h ALA 50 Cb 1.24 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3h88 h ALA 50 CO 0.11 0.51 0.49 0.87 0.00 0.00 0.00 179.25 181.23 3h88 h LYS 51 N 1.04 1.07 -0.38 0.00 1.57 -1.19 -1.57 116.57 117.11 3h88 h LYS 51 Ca 0.26 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 3h88 h LYS 51 Cb 0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3h88 h LYS 51 CO -0.04 0.75 -0.31 0.00 -0.57 0.00 0.00 179.45 179.28 3h88 h ARG 52 N 1.09 0.85 -0.14 3.15 2.47 -0.85 -1.38 114.38 119.55 3h88 h ARG 52 Ca 0.29 -0.40 0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3h88 h ARG 52 Cb -0.06 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 3h88 h ARG 52 CO -0.06 1.04 -0.04 0.35 0.56 0.00 0.00 179.97 181.82 3h88 h PHE 53 N 0.71 -0.08 -0.27 3.04 3.57 -0.68 0.38 116.94 123.61 3h88 h PHE 53 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3h88 h PHE 53 Cb 0.87 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3h88 h PHE 53 CO 0.05 -0.06 0.13 0.00 -2.23 0.00 0.00 178.31 176.19 3h88 h ALA 54 N 1.14 0.33 -0.50 2.41 0.00 -1.16 -0.58 119.26 120.90 3h88 h ALA 54 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h88 h ALA 54 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3h88 h ALA 54 CO -0.15 -0.27 0.31 0.00 0.00 0.00 0.00 179.25 179.14 3h88 h ALA 55 N 1.15 0.63 -0.35 0.00 0.00 -1.00 0.47 119.26 120.16 3h88 h ALA 55 Ca 0.12 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 55 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 55 CO -0.09 0.10 -0.27 0.87 0.00 0.00 0.00 179.25 179.86 3h88 h LYS 56 N 0.67 0.81 -0.69 0.00 1.57 -0.77 0.37 116.57 118.52 3h88 h LYS 56 Ca 0.18 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3h88 h LYS 56 Cb -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3h88 h LYS 56 CO -0.04 1.03 0.43 0.93 -0.57 0.00 0.00 179.45 181.23 3h88 h GLU 57 N 0.59 0.94 -0.79 3.15 5.08 -1.01 -0.33 114.58 122.20 3h88 h GLU 57 Ca 0.07 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3h88 h GLU 57 Cb 0.84 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3h88 h GLU 57 CO 0.07 0.66 0.52 0.00 -1.00 0.00 0.00 179.01 179.26 3h88 h ALA 58 N 1.22 1.01 -0.87 3.43 0.00 -0.73 -2.29 119.26 121.04 3h88 h ALA 58 Ca 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3h88 h ALA 58 Cb -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3h88 h ALA 58 CO -0.05 0.39 0.47 0.00 0.00 0.00 0.00 179.25 180.06 3h88 h ALA 59 N 1.30 1.11 0.00 0.00 0.00 -0.49 -0.98 119.26 120.20 3h88 h ALA 59 Ca 0.30 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 59 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3h88 h ALA 59 CO -0.08 0.62 -0.36 0.66 0.00 0.00 0.00 179.25 180.10 3h88 h SER 60 N 1.21 0.00 0.22 0.00 4.64 -0.78 -1.50 113.55 117.34 3h88 h SER 60 Ca 0.30 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.35 3h88 h SER 60 Cb 0.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3h88 h SER 60 CO -0.05 0.36 -1.15 0.11 -0.87 0.00 0.00 176.83 175.23 3h88 h LYS 61 N 0.00 0.55 -0.58 4.77 1.57 -0.97 0.38 116.57 122.29 3h88 h LYS 61 Ca -0.00 -0.70 0.03 0.00 -1.87 0.00 0.00 60.65 58.11 3h88 h LYS 61 Cb 0.64 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 3h88 h LYS 61 CO 0.05 1.30 0.38 0.00 -0.57 0.00 0.00 179.45 180.60 3h88 h ALA 62 N 0.44 1.71 -0.01 3.86 0.00 -0.77 -1.30 119.26 123.19 3h88 h ALA 62 Ca -0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3h88 h ALA 62 Cb 1.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3h88 h ALA 62 CO 0.21 0.23 -0.38 1.25 0.00 0.00 0.00 179.25 180.56 3h88 h LEU 63 N 0.66 0.01 0.00 0.00 6.46 -1.23 -3.34 115.31 117.88 3h88 h LEU 63 Ca 0.23 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 3h88 h LEU 63 Cb 0.10 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3h88 h LEU 63 CO -0.06 0.39 0.00 0.61 -0.62 0.00 0.00 178.44 178.76 3h88 n GLY 64 N -0.44 0.75 0.05 3.75 0.00 -0.49 -4.96 105.19 103.86 3h88 n GLY 64 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.07 0.66 -4.58 2.61 -2.24 -1.07 -5.03 114.28 102.57 3h88 n THR 65 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3h88 n THR 65 Cb 0.00 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 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 2.08 -0.65 3.37 3.38 0.00 0.10 -4.21 105.19 109.27 3h88 n GLY 66 Ca -0.16 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.31 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 5.27 -0.08 -0.61 -1.09 -1.26 -4.78 121.20 118.65 3h88 s ILE 67 Ca 0.00 -2.09 -0.32 0.00 -2.23 0.00 0.00 60.65 56.01 3h88 s ILE 67 Cb 0.00 -4.58 0.14 0.00 -1.58 0.00 0.00 42.46 36.44 3h88 s ILE 67 CO 0.00 -1.20 1.40 0.00 -1.23 0.00 0.00 174.94 173.90 3h88 s ALA 68 N 1.17 -2.48 -1.47 9.38 0.00 -0.98 -4.96 121.76 122.41 3h88 s ALA 68 Ca 0.23 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 3h88 s ALA 68 Cb -0.09 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3h88 s ALA 68 CO -0.08 -1.07 0.18 1.04 0.00 0.00 0.00 175.76 175.83 3h88 n GLN 69 N -0.56 -2.73 -0.00 0.00 1.13 -1.26 -1.36 117.38 112.59 3h88 n GLN 69 Ca -0.08 0.81 0.00 0.00 -1.94 0.00 0.00 57.00 55.79 3h88 n GLN 69 Cb 0.63 -5.51 0.00 0.00 0.11 0.00 0.00 30.24 25.47 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 -1.08 1.89 3.70 1.08 0.00 -1.26 -5.02 105.19 104.50 3h88 n GLY 70 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.64 4.84 0.51 1.61 1.01 -0.46 -4.78 120.40 120.49 3h88 s VAL 71 Ca 0.00 2.05 0.01 0.00 0.00 0.00 0.00 61.98 64.04 3h88 s VAL 71 Cb 0.00 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 3h88 s VAL 71 CO 0.00 0.10 0.02 0.42 0.00 0.00 0.00 175.10 175.64 3h88 s THR 72 N 1.38 0.93 0.37 3.92 -4.23 -1.26 -2.32 115.64 114.43 3h88 s THR 72 Ca 0.51 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.21 3h88 s THR 72 Cb -0.20 -2.05 0.19 0.00 1.34 0.00 0.00 72.50 71.79 3h88 s THR 72 CO 0.24 0.00 1.94 -0.26 -0.54 0.00 0.00 174.62 176.00 3h88 h PHE 73 N 1.34 0.00 0.00 3.99 0.04 -1.87 -2.14 116.94 118.30 3h88 h PHE 73 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3h88 h PHE 73 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 3h88 h PHE 73 CO 1.68 0.24 0.00 0.72 -0.60 0.00 0.00 178.31 180.35 3h88 n HIS 74 N -3.89 0.00 1.63 -0.55 8.25 -1.26 -2.32 115.22 117.07 3h88 n HIS 74 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 3h88 n HIS 74 Cb 0.33 -0.37 0.77 0.00 1.12 0.00 0.00 29.99 31.83 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 -1.37 0.25 -4.07 0.41 8.00 -0.80 -4.72 116.55 114.24 3h88 n ASP 75 Ca 0.08 -0.67 -0.29 0.00 0.71 0.00 0.00 54.79 54.62 3h88 n ASP 75 Cb 0.20 -0.10 -0.17 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.30 2.12 -0.08 1.24 0.08 -0.98 -1.16 117.98 116.91 3h88 s PHE 76 Ca 0.36 -1.04 0.05 0.00 0.12 0.00 0.00 56.93 56.42 3h88 s PHE 76 Cb 0.21 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.14 3h88 s PHE 76 CO 0.42 -0.52 -0.23 0.99 -0.10 0.00 0.00 175.22 175.78 3h88 s THR 77 N 1.01 2.22 -0.21 0.64 2.01 0.42 -4.81 115.64 116.93 3h88 s THR 77 Ca -0.05 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 3h88 s THR 77 Cb -0.15 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 3h88 s THR 77 CO -0.03 0.56 0.05 -0.63 -0.69 0.00 0.00 174.62 173.88 3h88 s ILE 78 N -0.01 4.39 0.00 1.82 1.09 -1.26 -0.65 121.20 126.58 3h88 s ILE 78 Ca -0.08 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.31 3h88 s ILE 78 Cb -0.15 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.25 3h88 s ILE 78 CO 0.05 0.41 0.00 -1.54 -0.10 0.00 0.00 174.94 173.76 3h88 n SER 79 N 4.18 1.12 -3.79 3.58 3.41 0.67 -4.95 113.62 117.84 3h88 n SER 79 Ca -0.17 -0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.07 3h88 n SER 79 Cb 0.52 0.00 -0.10 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 -0.27 -0.21 0.77 7.33 3.76 -1.26 -0.33 115.29 125.08 3h88 s HIS 80 Ca 0.00 0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 55.29 3h88 s HIS 80 Cb 0.00 0.07 0.17 0.00 1.11 0.00 0.00 32.58 33.94 3h88 s HIS 80 CO 0.00 -0.22 1.05 -0.40 -0.85 0.00 0.00 174.74 174.32 3h88 n ASP 81 N 2.31 0.43 0.28 1.40 5.68 -0.28 -4.92 116.55 121.45 3h88 n ASP 81 Ca -0.16 -1.59 0.16 0.00 -0.50 0.00 0.00 54.79 52.70 3h88 n ASP 81 Cb 0.57 -0.77 0.80 0.00 -1.14 0.00 0.00 41.12 40.58 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 -1.98 116.57 114.76 3h88 h LYS 82 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3h88 h LYS 82 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 3h88 h LYS 82 CO 0.27 0.06 -0.02 1.28 -2.00 0.00 0.00 179.45 179.04 3h88 n LEU 83 N -3.30 1.73 0.00 7.07 4.77 -1.26 -4.94 117.00 121.07 3h88 n LEU 83 Ca -0.01 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3h88 n LEU 83 Cb 0.24 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3h88 n LEU 83 CO 0.27 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3h88 n GLY 84 N 1.22 0.75 3.73 -0.72 0.00 -0.74 -5.06 105.19 104.36 3h88 n GLY 84 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.75 4.28 0.36 1.61 2.20 -1.26 -4.73 119.74 121.45 3h88 s LYS 85 Ca 0.00 2.24 -0.24 0.00 -0.36 0.00 0.00 55.97 57.61 3h88 s LYS 85 Cb 0.00 -3.16 -0.10 0.00 -1.51 0.00 0.00 37.83 33.06 3h88 s LYS 85 CO 0.00 -0.45 0.93 -1.25 -0.36 0.00 0.00 175.35 174.22 3h88 s PRO 86 N 0.32 4.43 0.02 4.03 0.04 -1.26 -1.13 135.00 141.45 3h88 s PRO 86 Ca 0.63 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.94 3h88 s PRO 86 Cb -0.41 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 3h88 s PRO 86 CO 0.37 0.17 -0.16 -0.51 0.04 0.00 0.00 177.00 176.91 3h88 s LEU 87 N -2.49 2.12 -0.15 -3.56 1.43 0.55 -4.59 118.68 111.99 3h88 s LEU 87 Ca 0.54 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3h88 s LEU 87 Cb -0.15 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3h88 s LEU 87 CO 0.19 0.12 -0.14 -0.22 0.23 0.00 0.00 176.35 176.53 3h88 s LEU 88 N -0.87 2.56 -0.08 1.79 2.96 -1.26 -0.24 118.68 123.54 3h88 s LEU 88 Ca 0.04 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3h88 s LEU 88 Cb -0.07 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 3h88 s LEU 88 CO 0.01 0.11 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.32 3h88 s ILE 89 N 0.70 2.51 0.17 6.68 -1.09 0.18 -4.92 121.20 125.42 3h88 s ILE 89 Ca -0.07 -0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 3h88 s ILE 89 Cb -0.16 -1.97 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 3h88 s ILE 89 CO 0.02 0.56 0.37 -0.76 -1.23 0.00 0.00 174.94 173.90 3h88 s LEU 90 N -0.05 4.25 0.32 2.97 1.43 -1.26 -0.43 118.68 125.90 3h88 s LEU 90 Ca -0.05 0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 3h88 s LEU 90 Cb -0.14 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.90 3h88 s LEU 90 CO 0.04 0.00 0.53 -0.94 0.23 0.00 0.00 176.35 176.22 3h88 s SER 91 N -2.91 0.42 0.73 2.29 1.04 -0.30 -4.66 113.70 110.31 3h88 s SER 91 Ca 0.39 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3h88 s SER 91 Cb -0.11 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3h88 s SER 91 CO 0.28 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3h88 n GLY 92 N -0.50 2.25 0.35 7.32 0.00 -1.26 -2.32 105.19 111.03 3h88 n GLY 92 Ca -0.02 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.67 3h88 n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h88 h GLN 93 N 0.00 0.78 -0.54 1.61 5.75 -1.95 -1.58 115.11 119.18 3h88 h GLN 93 Ca 0.00 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3h88 h GLN 93 Cb 0.00 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 3h88 h GLN 93 CO 0.00 0.52 0.35 0.00 -2.65 0.00 0.00 178.83 177.05 3h88 h ALA 94 N 1.59 0.69 -0.45 3.38 0.00 -1.77 0.10 119.26 122.79 3h88 h ALA 94 Ca 0.33 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3h88 h ALA 94 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3h88 h ALA 94 CO -0.11 0.10 -0.20 0.00 0.00 0.00 0.00 179.25 179.04 3h88 h ALA 95 N 1.21 0.79 0.01 0.00 0.00 -1.03 0.26 119.26 120.50 3h88 h ALA 95 Ca 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h88 h ALA 95 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3h88 h ALA 95 CO -0.06 0.66 -0.00 0.93 0.00 0.00 0.00 179.25 180.78 3h88 h GLU 96 N 0.79 -0.01 -0.45 0.00 4.39 -0.95 -0.28 114.58 118.07 3h88 h GLU 96 Ca 0.11 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 3h88 h GLU 96 Cb 0.75 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3h88 h GLU 96 CO 0.06 -0.01 0.06 -0.07 -1.16 0.00 0.00 179.01 177.89 3h88 h LEU 97 N -0.01 0.72 -0.85 1.33 3.38 -0.67 -1.83 115.31 117.37 3h88 h LEU 97 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3h88 h LEU 97 Cb 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3h88 h LEU 97 CO 0.00 0.80 0.50 0.00 0.09 0.00 0.00 178.44 179.84 3h88 h ALA 98 N 0.94 1.08 -0.44 1.53 0.00 -0.88 0.02 119.26 121.52 3h88 h ALA 98 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3h88 h ALA 98 Cb 0.40 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3h88 h ALA 98 CO 0.01 0.56 0.10 1.03 0.00 0.00 0.00 179.25 180.95 3h88 h SER 99 N 1.17 0.05 0.37 0.00 0.87 -0.81 -0.65 113.55 114.54 3h88 h SER 99 Ca 0.30 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.89 3h88 h SER 99 Cb -0.03 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3h88 h SER 99 CO -0.06 0.06 -0.20 1.56 -0.53 0.00 0.00 176.83 177.66 3h88 h GLN 100 N 0.25 0.00 -0.00 2.24 4.20 -0.65 -1.20 115.11 119.94 3h88 h GLN 100 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3h88 h GLN 100 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3h88 h GLN 100 CO -0.26 0.20 -0.12 1.28 -0.67 0.00 0.00 178.83 179.26 3h88 n LEU 101 N -3.86 0.36 -1.93 1.46 4.77 -0.07 -4.93 117.00 112.80 3h88 n LEU 101 Ca -0.02 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 3h88 n LEU 101 Cb 0.29 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3h88 n LEU 101 CO 0.34 0.07 -0.08 0.00 -1.33 0.00 0.00 177.39 176.38 3h88 n GLN 102 N -1.10 -2.42 -1.76 3.23 6.02 -0.45 -4.87 117.38 116.03 3h88 n GLN 102 Ca 0.13 0.66 -0.42 0.00 -0.01 0.00 0.00 57.00 57.36 3h88 n GLN 102 Cb 0.28 -4.95 -0.03 0.00 1.02 0.00 0.00 30.24 26.56 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 -2.87 2.47 -0.02 5.09 1.01 -0.38 -4.14 120.40 121.57 3h88 s VAL 103 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3h88 s VAL 103 Cb -0.05 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3h88 s VAL 103 CO 0.15 0.00 0.04 -0.62 0.00 0.00 0.00 175.10 174.67 3h88 n GLU 104 N 5.16 1.51 -3.81 2.72 1.02 0.24 -4.82 120.64 122.66 3h88 n GLU 104 Ca 0.17 -0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 3h88 n GLU 104 Cb 0.38 -0.93 -0.14 0.00 -0.02 0.00 0.00 31.44 30.72 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3h88 s ASN 105 N -1.93 -0.02 -0.09 1.62 0.01 -0.65 -5.01 114.94 108.86 3h88 s ASN 105 Ca -0.00 0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 3h88 s ASN 105 Cb 0.01 0.06 -0.00 0.00 0.41 0.00 0.00 41.25 41.73 3h88 s ASN 105 CO 0.06 -0.08 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.70 3h88 s ILE 106 N 0.59 2.09 -0.03 0.60 1.01 -1.26 -1.05 121.20 123.15 3h88 s ILE 106 Ca -0.05 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.65 3h88 s ILE 106 Cb -0.07 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3h88 s ILE 106 CO -0.02 0.56 -0.22 -1.00 0.00 0.00 0.00 174.94 174.26 3h88 s HIS 107 N 0.26 2.45 -0.01 3.97 3.76 -0.13 -4.84 115.29 120.75 3h88 s HIS 107 Ca -0.16 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.38 3h88 s HIS 107 Cb -0.17 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 31.98 3h88 s HIS 107 CO 0.08 0.02 0.01 -1.17 -0.85 0.00 0.00 174.74 172.83 3h88 s LEU 108 N -0.62 1.70 0.07 0.89 2.96 -1.26 -0.86 118.68 121.55 3h88 s LEU 108 Ca 0.10 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 3h88 s LEU 108 Cb -0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 3h88 s LEU 108 CO -0.00 -0.04 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.33 3h88 s SER 109 N 0.35 1.33 0.03 3.68 0.15 -0.40 -4.60 113.70 114.24 3h88 s SER 109 Ca -0.03 -0.64 0.02 0.00 0.70 0.00 0.00 55.95 56.00 3h88 s SER 109 Cb -0.04 -0.00 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3h88 s SER 109 CO -0.01 -0.17 -0.08 -0.63 1.20 0.00 0.00 173.24 173.56 3h88 s ILE 110 N -1.61 0.54 -0.03 6.45 1.01 -1.26 -1.74 121.20 124.55 3h88 s ILE 110 Ca -0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 3h88 s ILE 110 Cb -0.08 -0.57 0.03 0.00 0.01 0.00 0.00 42.46 41.84 3h88 s ILE 110 CO 0.01 -0.27 0.32 -0.55 0.00 0.00 0.00 174.94 174.45 3h88 s SER 111 N -1.28 -0.22 0.09 3.58 0.15 -1.26 -5.00 113.70 109.76 3h88 s SER 111 Ca -0.07 0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.79 3h88 s SER 111 Cb -0.08 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 3h88 s SER 111 CO 0.00 -0.39 -0.06 1.51 1.20 0.00 0.00 173.24 175.50 3h88 s ASP 112 N -1.06 1.07 0.00 5.45 -4.77 -1.26 -4.36 116.67 111.73 3h88 s ASP 112 Ca -0.11 -0.97 0.00 0.00 -3.30 0.00 0.00 52.55 48.17 3h88 s ASP 112 Cb -0.05 0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.88 3h88 s ASP 112 CO 0.04 -0.46 0.00 -0.62 0.70 0.00 0.00 175.17 174.83 3h88 n GLU 113 N 0.08 3.64 -0.31 2.11 -0.58 -0.24 -5.00 120.64 120.33 3h88 n GLU 113 Ca -0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.57 3h88 n GLU 113 Cb 0.60 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.55 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3h88 h ARG 114 N 0.00 1.17 0.00 3.49 2.43 -2.04 -3.33 114.38 116.10 3h88 h ARG 114 Ca 0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3h88 h ARG 114 Cb 0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3h88 h ARG 114 CO 0.00 0.85 -1.26 0.72 -1.51 0.00 0.00 179.97 178.77 3h88 n HIS 115 N -4.40 0.00 -4.20 2.20 8.25 -1.26 -4.90 115.22 110.91 3h88 n HIS 115 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.38 3h88 n HIS 115 Cb 0.08 -0.19 -0.13 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.57 0.83 0.49 4.41 2.02 -1.25 -1.35 117.35 119.92 3h88 s TYR 116 Ca -0.02 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 3h88 s TYR 116 Cb 0.07 -0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 41.10 3h88 s TYR 116 CO 0.44 -0.02 0.02 0.00 -1.57 0.00 0.00 175.55 174.42 3h88 s ALA 117 N -0.83 3.89 0.00 3.71 0.00 -0.38 -1.08 121.76 127.07 3h88 s ALA 117 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3h88 s ALA 117 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3h88 s ALA 117 CO 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 175.76 175.71 3h88 n ALA 119 N -1.21 0.00 -2.66 0.00 0.00 -0.78 -0.69 120.51 115.18 3h88 n ALA 119 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 3h88 n ALA 119 Cb 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 3h88 n ALA 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h88 s THR 120 N -2.00 0.87 -0.02 0.00 2.01 -0.71 -1.28 115.64 114.51 3h88 s THR 120 Ca 0.00 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.40 3h88 s THR 120 Cb 0.00 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.75 3h88 s THR 120 CO 0.00 0.14 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.29 3h88 s VAL 121 N -0.47 0.73 -0.04 3.82 1.01 -0.08 -1.28 120.40 124.10 3h88 s VAL 121 Ca 0.02 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3h88 s VAL 121 Cb -0.05 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 3h88 s VAL 121 CO 0.00 0.22 -0.14 -0.63 0.00 0.00 0.00 175.10 174.55 3h88 s ILE 122 N 0.06 1.20 -0.13 2.22 1.01 -0.04 -1.02 121.20 124.49 3h88 s ILE 122 Ca -0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3h88 s ILE 122 Cb -0.07 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3h88 s ILE 122 CO 0.00 0.35 -0.07 -0.76 0.00 0.00 0.00 174.94 174.46 3h88 s LEU 123 N 0.07 3.06 0.04 2.97 1.43 -0.35 -0.96 118.68 124.94 3h88 s LEU 123 Ca -0.03 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3h88 s LEU 123 Cb -0.10 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3h88 s LEU 123 CO 0.01 0.21 -0.10 -1.83 0.23 0.00 0.00 176.35 174.87 3h88 s GLU 124 N 0.13 0.63 0.16 1.70 -1.05 -0.22 -0.14 118.70 119.91 3h88 s GLU 124 Ca -0.03 -0.73 0.05 0.00 -0.15 0.00 0.00 54.97 54.11 3h88 s GLU 124 Cb -0.14 -0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 33.01 3h88 s GLU 124 CO 0.04 0.11 0.09 -0.98 0.95 0.00 0.00 175.26 175.46 3h88 s ARG 125 N -1.39 2.74 0.00 -4.83 1.70 -1.26 -0.60 118.95 115.31 3h88 s ARG 125 Ca -0.06 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.28 3h88 s ARG 125 Cb -0.09 -2.56 0.00 0.00 -0.57 0.00 0.00 34.95 31.73 3h88 s ARG 125 CO 0.01 0.49 0.00 -2.13 -1.08 0.00 0.00 175.30 172.58