#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 3.01 0.00 0.00 1.01 -1.26 -4.90 121.20 119.06 3h88 s ILE 2 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.08 3h88 s ILE 2 Cb 0.00 -2.31 -0.24 0.00 0.01 0.00 0.00 42.46 39.92 3h88 s ILE 2 CO 0.00 0.48 0.83 0.58 0.00 0.00 0.00 174.94 176.83 3h88 h VAL 3 N 5.63 1.10 -2.28 2.92 2.07 -1.02 -3.48 116.25 121.18 3h88 h VAL 3 Ca -0.36 -2.87 0.06 0.00 0.82 0.00 0.00 66.70 64.35 3h88 h VAL 3 Cb 1.18 2.59 -0.16 0.00 -1.52 0.00 0.00 31.29 33.37 3h88 h VAL 3 CO 0.59 0.69 0.41 -0.83 0.02 0.00 0.00 177.57 178.45 3h88 s GLY 4 N -5.01 -0.48 -0.01 2.17 0.00 -1.17 -4.96 107.32 97.85 3h88 s GLY 4 Ca -0.05 1.10 0.01 0.00 0.00 0.00 0.00 44.72 45.78 3h88 s GLY 4 CO 0.82 0.48 -0.05 -2.27 0.00 0.00 0.00 173.10 172.08 3h88 s LEU 5 N -2.18 1.90 -0.03 0.66 2.96 -1.26 -1.63 118.68 119.11 3h88 s LEU 5 Ca 0.01 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 3h88 s LEU 5 Cb -0.01 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.41 3h88 s LEU 5 CO -0.06 0.04 0.11 -0.83 -1.32 0.00 0.00 176.35 174.30 3h88 s GLY 6 N 0.03 -0.03 0.03 7.98 0.00 -0.19 -3.66 107.32 111.48 3h88 s GLY 6 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.79 3h88 s GLY 6 CO -0.00 0.06 0.12 -1.08 0.00 0.00 0.00 173.10 172.20 3h88 s THR 7 N -0.46 0.12 -0.19 0.90 -1.32 -1.26 -0.76 115.64 112.67 3h88 s THR 7 Ca -0.05 -1.00 -0.27 0.00 -1.21 0.00 0.00 61.69 59.15 3h88 s THR 7 Cb -0.04 -0.85 0.07 0.00 -1.51 0.00 0.00 72.50 70.18 3h88 s THR 7 CO 0.00 -0.55 0.71 -0.62 -2.21 0.00 0.00 174.62 171.95 3h88 s ASP 8 N -2.03 -0.71 -0.03 8.08 2.15 -0.47 -4.50 116.67 119.17 3h88 s ASP 8 Ca -0.06 1.16 0.06 0.00 0.43 0.00 0.00 52.55 54.14 3h88 s ASP 8 Cb -0.02 1.11 -0.01 0.00 -0.30 0.00 0.00 42.92 43.70 3h88 s ASP 8 CO -0.04 -0.38 -0.20 -0.51 -0.17 0.00 0.00 175.17 173.87 3h88 s ILE 9 N -0.22 1.59 -0.03 4.11 2.07 -1.26 -1.57 121.20 125.89 3h88 s ILE 9 Ca -0.04 -0.84 0.04 0.00 -1.41 0.00 0.00 60.65 58.40 3h88 s ILE 9 Cb -0.03 -1.33 -0.00 0.00 0.13 0.00 0.00 42.46 41.23 3h88 s ILE 9 CO 0.04 0.45 -0.14 0.00 -1.91 0.00 0.00 174.94 173.39 3h88 s ALA 10 N -0.32 1.23 -0.36 1.50 0.00 0.98 -5.00 121.76 119.79 3h88 s ALA 10 Ca 0.04 -0.55 -0.26 0.00 0.00 0.00 0.00 51.96 51.19 3h88 s ALA 10 Cb -0.09 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3h88 s ALA 10 CO 0.00 0.23 0.92 -2.00 0.00 0.00 0.00 175.76 174.91 3h88 s GLU 11 N 0.04 3.86 0.23 0.00 2.12 -1.26 -1.27 118.70 122.41 3h88 s GLU 11 Ca -0.02 0.60 -0.08 0.00 0.36 0.00 0.00 54.97 55.82 3h88 s GLU 11 Cb -0.09 -3.79 0.23 0.00 0.26 0.00 0.00 34.13 30.73 3h88 s GLU 11 CO 0.01 -0.93 1.89 0.82 -0.54 0.00 0.00 175.26 176.51 3h88 h ILE 12 N 5.80 1.18 -0.65 -3.70 2.04 -1.62 -2.54 117.51 118.02 3h88 h ILE 12 Ca -0.23 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3h88 h ILE 12 Cb 1.08 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3h88 h ILE 12 CO 0.98 0.20 0.42 -0.08 0.00 0.00 0.00 178.15 179.67 3h88 h GLU 13 N 1.10 0.87 -0.33 2.37 4.81 -1.92 -0.33 114.58 121.15 3h88 h GLU 13 Ca 0.32 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3h88 h GLU 13 Cb -0.06 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 3h88 h GLU 13 CO -0.09 0.58 -0.11 0.00 -0.73 0.00 0.00 179.01 178.66 3h88 h ARG 14 N 0.89 0.56 -0.32 1.92 3.08 -1.84 0.11 114.38 118.79 3h88 h ARG 14 Ca 0.24 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3h88 h ARG 14 Cb -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3h88 h ARG 14 CO -0.05 0.67 -0.03 0.28 -1.07 0.00 0.00 179.97 179.77 3h88 h VAL 15 N 0.52 1.27 -0.35 2.04 2.07 -1.18 -1.86 116.25 118.76 3h88 h VAL 15 Ca 0.10 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3h88 h VAL 15 Cb 0.50 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3h88 h VAL 15 CO 0.03 0.33 0.22 -0.33 0.02 0.00 0.00 177.57 177.84 3h88 h GLU 16 N 0.37 0.47 -0.78 1.57 5.08 -0.84 -0.23 114.58 120.21 3h88 h GLU 16 Ca 0.09 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3h88 h GLU 16 Cb 0.50 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3h88 h GLU 16 CO 0.02 0.34 0.45 0.87 -1.00 0.00 0.00 179.01 179.69 3h88 h LYS 17 N 0.47 0.76 -0.56 2.33 1.57 -0.76 0.05 116.57 120.43 3h88 h LYS 17 Ca 0.13 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3h88 h LYS 17 Cb -0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3h88 h LYS 17 CO -0.03 0.51 -0.06 0.00 -0.57 0.00 0.00 179.45 179.30 3h88 h ALA 18 N 1.41 0.83 -0.63 3.86 0.00 -0.92 -1.88 119.26 121.93 3h88 h ALA 18 Ca 0.36 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 18 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3h88 h ALA 18 CO -0.22 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.68 3h88 h LEU 19 N 0.91 1.05 -1.87 0.00 3.38 -0.47 -0.15 115.31 118.15 3h88 h LEU 19 Ca 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3h88 h LEU 19 Cb 0.62 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3h88 h LEU 19 CO 0.04 1.07 -0.08 0.00 0.09 0.00 0.00 178.44 179.56 3h88 h ALA 20 N 1.04 1.81 0.06 1.53 0.00 -0.68 0.11 119.26 123.13 3h88 h ALA 20 Ca 0.19 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 3h88 h ALA 20 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3h88 h ALA 20 CO 0.02 0.11 -1.80 0.54 0.00 0.00 0.00 179.25 178.12 3h88 n ARG 21 N -4.36 0.67 0.00 0.00 1.74 -0.73 -4.70 116.66 109.27 3h88 n ARG 21 Ca -0.03 0.37 0.01 0.00 -0.77 0.00 0.00 57.85 57.44 3h88 n ARG 21 Cb 0.16 -1.69 -0.01 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 -3.89 0.38 0.00 0.55 7.64 -0.10 -5.06 113.62 113.14 3h88 n SER 22 Ca -0.35 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 58.84 3h88 n SER 22 Cb 0.89 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 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 0.89 2.36 0.23 0.23 0.00 0.37 -1.90 105.19 107.38 3h88 n GLY 23 Ca 0.01 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.37 3h88 n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h88 h GLU 24 N 0.00 0.27 -0.97 1.61 4.39 -1.95 0.07 114.58 118.01 3h88 h GLU 24 Ca 0.00 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.69 3h88 h GLU 24 Cb 0.00 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 3h88 h GLU 24 CO 0.00 0.48 0.62 -0.91 -1.16 0.00 0.00 179.01 178.04 3h88 h ASN 25 N 0.25 0.97 0.01 1.42 2.35 -1.81 0.31 115.58 119.09 3h88 h ASN 25 Ca 0.04 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3h88 h ASN 25 Cb 0.52 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3h88 h ASN 25 CO 0.04 0.61 -0.00 0.15 -1.65 0.00 0.00 177.43 176.57 3h88 h PHE 26 N 1.10 -0.01 -0.70 1.19 3.57 -1.29 -3.13 116.94 117.67 3h88 h PHE 26 Ca 0.43 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.98 3h88 h PHE 26 Cb 0.22 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3h88 h PHE 26 CO -0.01 0.70 0.46 0.00 -2.23 0.00 0.00 178.31 177.22 3h88 h ALA 27 N 0.23 1.68 -0.05 2.41 0.00 -0.69 -2.28 119.26 120.57 3h88 h ALA 27 Ca -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3h88 h ALA 27 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3h88 h ALA 27 CO 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 179.25 179.06 3h88 h ARG 28 N 0.76 0.10 -0.75 0.00 3.08 -0.47 -0.76 114.38 116.34 3h88 h ARG 28 Ca 0.29 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3h88 h ARG 28 Cb 0.19 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3h88 h ARG 28 CO -0.09 0.50 0.40 0.00 -1.07 0.00 0.00 179.97 179.71 3h88 h ARG 29 N 0.08 1.06 0.18 0.04 3.08 -1.35 -3.32 114.38 114.15 3h88 h ARG 29 Ca 0.01 -0.13 -0.35 0.00 0.07 0.00 0.00 59.98 59.57 3h88 h ARG 29 Cb 0.78 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.64 3h88 h ARG 29 CO 0.06 0.80 -1.75 0.82 -1.07 0.00 0.00 179.97 178.83 3h88 h ILE 30 N 1.04 0.92 -2.71 2.04 1.08 -1.39 -3.41 117.51 115.08 3h88 h ILE 30 Ca 0.26 -2.49 -0.57 0.00 -0.39 0.00 0.00 64.86 61.67 3h88 h ILE 30 Cb 0.06 2.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 3h88 h ILE 30 CO -0.04 0.85 -0.50 -0.76 -0.69 0.00 0.00 178.15 177.01 3h88 s LEU 31 N -7.31 4.19 0.82 1.44 1.43 -0.32 -4.51 118.68 114.42 3h88 s LEU 31 Ca -0.17 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 3h88 s LEU 31 Cb 0.05 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.58 3h88 s LEU 31 CO 0.84 0.09 1.18 0.42 0.23 0.00 0.00 176.35 179.11 3h88 s THR 32 N -1.66 2.04 0.28 5.49 -4.23 -1.26 -4.74 115.64 111.55 3h88 s THR 32 Ca 0.33 -0.05 -0.04 0.00 -1.18 0.00 0.00 61.69 60.76 3h88 s THR 32 Cb -0.11 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.99 3h88 s THR 32 CO 0.27 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.73 3h88 h ASP 33 N -1.08 1.04 -0.54 3.99 3.32 -1.99 0.37 116.42 121.54 3h88 h ASP 33 Ca -0.45 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.44 3h88 h ASP 33 Cb 1.31 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3h88 h ASP 33 CO 0.60 0.76 -0.12 0.28 -1.72 0.00 0.00 179.24 179.05 3h88 h SER 34 N 1.22 1.04 -0.06 6.45 0.02 -2.02 -2.78 113.55 117.41 3h88 h SER 34 Ca 0.33 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 3h88 h SER 34 Cb -0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.12 3h88 h SER 34 CO -0.07 1.16 -0.15 -0.33 -1.14 0.00 0.00 176.83 176.30 3h88 h GLU 35 N 0.92 0.40 -0.06 3.45 5.08 -1.75 -2.98 114.58 119.63 3h88 h GLU 35 Ca 0.14 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3h88 h GLU 35 Cb 0.70 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3h88 h GLU 35 CO 0.05 0.54 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.43 3h88 h LEU 36 N 0.37 0.08 -0.56 1.33 3.38 -0.66 -1.77 115.31 117.48 3h88 h LEU 36 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h88 h LEU 36 Cb 0.48 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3h88 h LEU 36 CO 0.03 0.20 0.33 -0.08 0.09 0.00 0.00 178.44 179.01 3h88 h GLU 37 N 0.09 0.76 0.00 1.13 4.81 -1.45 0.14 114.58 120.06 3h88 h GLU 37 Ca 0.02 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 3h88 h GLU 37 Cb 0.25 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3h88 h GLU 37 CO 0.02 0.55 -0.58 1.96 -0.73 0.00 0.00 179.01 180.23 3h88 h GLN 38 N 0.75 0.00 -0.17 1.92 4.20 -1.45 -2.98 115.11 117.39 3h88 h GLN 38 Ca 0.20 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 3h88 h GLN 38 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3h88 h GLN 38 CO -0.04 0.58 -0.39 0.35 -0.67 0.00 0.00 178.83 178.67 3h88 h PHE 39 N 0.00 0.71 -0.05 2.96 3.57 -1.02 -2.47 116.94 120.64 3h88 h PHE 39 Ca -0.01 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 3h88 h PHE 39 Cb 1.08 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3h88 h PHE 39 CO 0.00 1.02 -0.08 0.45 -2.23 0.00 0.00 178.31 177.47 3h88 h HIS 40 N 0.20 0.07 0.00 0.41 3.86 -0.69 -1.32 115.15 117.69 3h88 h HIS 40 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3h88 h HIS 40 Cb 1.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.45 3h88 h HIS 40 CO 0.10 0.15 0.00 0.00 0.86 0.00 0.00 177.93 179.04 3h88 h ALA 41 N 1.85 1.00 -2.73 2.45 0.00 -1.36 -3.46 119.26 117.02 3h88 h ALA 41 Ca 0.02 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.42 3h88 h ALA 41 Cb 0.19 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.04 3h88 h ALA 41 CO 0.01 0.00 0.51 0.45 0.00 0.00 0.00 179.25 180.22 3h88 s SER 42 N -5.19 6.33 0.00 0.00 0.15 -0.50 -4.93 113.70 109.57 3h88 s SER 42 Ca 0.09 2.36 0.24 0.00 0.70 0.00 0.00 55.95 59.34 3h88 s SER 42 Cb 0.09 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 62.30 3h88 s SER 42 CO 0.63 -0.81 1.44 0.29 1.20 0.00 0.00 173.24 175.99 3h88 n LYS 43 N -0.18 2.17 -3.20 5.44 5.02 -1.26 -4.43 118.16 121.72 3h88 n LYS 43 Ca 0.06 -1.73 -0.23 0.00 -2.02 0.00 0.00 58.31 54.38 3h88 n LYS 43 Cb 0.47 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3h88 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h88 n GLN 44 N 1.02 1.37 -0.25 1.97 10.64 -1.26 -4.98 117.38 125.89 3h88 n GLN 44 Ca 0.17 -3.69 -0.02 0.00 -1.83 0.00 0.00 57.00 51.64 3h88 n GLN 44 Cb 0.51 -1.65 0.18 0.00 -0.86 0.00 0.00 30.24 28.42 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h88 h GLN 45 N 3.60 1.06 -0.74 2.61 4.20 -1.88 -1.64 115.11 122.33 3h88 h GLN 45 Ca 0.11 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h88 h GLN 45 Cb 0.83 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3h88 h GLN 45 CO 0.57 0.77 0.44 0.78 -0.67 0.00 0.00 178.83 180.73 3h88 h GLY 46 N 1.11 1.08 1.10 3.46 0.00 -1.93 0.16 103.07 108.04 3h88 h GLY 46 Ca 0.27 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 3h88 h GLY 46 CO -0.05 0.44 -0.24 3.21 0.00 0.00 0.00 176.54 179.91 3h88 h ARG 47 N 1.01 0.96 -0.12 4.80 3.08 -1.76 -0.20 114.38 122.16 3h88 h ARG 47 Ca 0.27 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3h88 h ARG 47 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3h88 h ARG 47 CO -0.05 1.10 0.06 0.35 -1.07 0.00 0.00 179.97 180.36 3h88 h PHE 48 N 0.81 0.17 -0.10 3.04 3.57 -0.82 -2.55 116.94 121.05 3h88 h PHE 48 Ca 0.10 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 3h88 h PHE 48 Cb 0.82 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3h88 h PHE 48 CO 0.06 0.19 -0.41 1.25 -2.23 0.00 0.00 178.31 177.17 3h88 h LEU 49 N 0.10 0.24 -0.45 0.59 5.85 -0.57 -2.72 115.31 118.35 3h88 h LEU 49 Ca 0.04 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3h88 h LEU 49 Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3h88 h LEU 49 CO -0.01 0.63 0.23 0.00 -0.34 0.00 0.00 178.44 178.95 3h88 h ALA 50 N 1.39 0.58 -0.65 1.25 0.00 -0.82 0.76 119.26 121.77 3h88 h ALA 50 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 50 Cb 0.81 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3h88 h ALA 50 CO 0.06 0.12 0.43 0.87 0.00 0.00 0.00 179.25 180.73 3h88 h LYS 51 N 0.59 0.85 -0.47 0.00 1.57 -1.38 -1.24 116.57 116.48 3h88 h LYS 51 Ca 0.16 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3h88 h LYS 51 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3h88 h LYS 51 CO -0.02 0.56 -0.18 0.00 -0.57 0.00 0.00 179.45 179.24 3h88 h ARG 52 N 0.87 0.93 0.14 3.15 2.47 -1.20 -1.29 114.38 119.46 3h88 h ARG 52 Ca 0.24 -0.37 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 3h88 h ARG 52 Cb -0.10 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 3h88 h ARG 52 CO -0.05 1.03 -0.07 0.35 0.56 0.00 0.00 179.97 181.79 3h88 h PHE 53 N 0.82 -0.17 -0.48 3.04 3.57 -0.68 -0.95 116.94 122.08 3h88 h PHE 53 Ca 0.12 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3h88 h PHE 53 Cb 0.73 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3h88 h PHE 53 CO 0.04 -0.09 0.31 0.00 -2.23 0.00 0.00 178.31 176.34 3h88 h ALA 54 N 0.66 0.61 -0.78 2.41 0.00 -1.17 -0.87 119.26 120.12 3h88 h ALA 54 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3h88 h ALA 54 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h88 h ALA 54 CO 0.03 0.03 0.28 0.00 0.00 0.00 0.00 179.25 179.59 3h88 h ALA 55 N 1.19 1.02 -0.04 0.00 0.00 -1.00 -0.26 119.26 120.16 3h88 h ALA 55 Ca 0.18 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3h88 h ALA 55 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3h88 h ALA 55 CO -0.06 0.67 -0.82 0.87 0.00 0.00 0.00 179.25 179.92 3h88 h LYS 56 N 1.15 0.39 -0.54 0.00 1.57 -1.06 0.05 116.57 118.12 3h88 h LYS 56 Ca 0.26 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3h88 h LYS 56 Cb 0.26 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3h88 h LYS 56 CO -0.02 1.02 -0.02 0.93 -0.57 0.00 0.00 179.45 180.79 3h88 h GLU 57 N 0.25 0.97 -0.50 3.15 5.08 -0.97 -1.54 114.58 121.02 3h88 h GLU 57 Ca -0.05 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3h88 h GLU 57 Cb 1.42 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3h88 h GLU 57 CO 0.14 0.99 0.33 0.00 -1.00 0.00 0.00 179.01 179.47 3h88 h ALA 58 N 0.95 0.64 -0.72 3.43 0.00 -0.89 -2.20 119.26 120.46 3h88 h ALA 58 Ca 0.15 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3h88 h ALA 58 Cb 0.56 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3h88 h ALA 58 CO 0.03 0.07 0.42 0.00 0.00 0.00 0.00 179.25 179.78 3h88 h ALA 59 N 1.19 0.98 0.00 0.00 0.00 -0.84 -0.98 119.26 119.61 3h88 h ALA 59 Ca 0.19 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3h88 h ALA 59 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3h88 h ALA 59 CO -0.05 0.13 -0.24 0.66 0.00 0.00 0.00 179.25 179.75 3h88 h SER 60 N 0.78 0.00 0.58 0.00 4.64 -0.95 -1.60 113.55 117.00 3h88 h SER 60 Ca 0.32 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.37 3h88 h SER 60 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3h88 h SER 60 CO -0.17 0.24 -1.19 0.11 -0.87 0.00 0.00 176.83 174.94 3h88 h LYS 61 N 0.00 0.29 0.00 4.77 1.57 -0.77 0.11 116.57 122.54 3h88 h LYS 61 Ca -0.00 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 3h88 h LYS 61 Cb 0.52 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3h88 h LYS 61 CO 0.03 1.20 -0.37 0.00 -0.57 0.00 0.00 179.45 179.74 3h88 h ALA 62 N 0.61 1.16 0.00 3.86 0.00 -0.61 -0.02 119.26 124.25 3h88 h ALA 62 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3h88 h ALA 62 Cb 1.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3h88 h ALA 62 CO 0.20 0.47 0.00 1.25 0.00 0.00 0.00 179.25 181.17 3h88 h LEU 63 N 0.00 0.00 0.00 0.00 5.85 -1.29 -3.34 115.31 116.54 3h88 h LEU 63 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h88 h LEU 63 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3h88 h LEU 63 CO 0.05 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 3h88 n GLY 64 N 0.62 0.78 0.04 3.75 0.00 -0.02 -4.92 105.19 105.43 3h88 n GLY 64 Ca 0.03 0.00 0.02 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 -2.00 0.44 -4.72 2.61 -2.24 -1.07 -5.02 114.28 102.28 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 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.76 -0.78 3.46 3.38 0.00 0.35 -4.13 105.19 109.23 3h88 n GLY 66 Ca -0.12 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 4.57 0.00 -0.61 -1.09 -1.26 -4.77 121.20 118.04 3h88 s ILE 67 Ca 0.00 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 3h88 s ILE 67 Cb 0.00 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.09 3h88 s ILE 67 CO 0.00 -1.54 0.00 0.00 -1.23 0.00 0.00 174.94 172.17 3h88 n ALA 68 N 7.00 0.00 -3.47 9.38 0.00 -1.09 -4.98 120.51 127.34 3h88 n ALA 68 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 3h88 n ALA 68 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 3h88 n ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h88 n GLN 69 N -0.13 -5.58 -0.58 0.00 1.13 -1.26 -1.57 117.38 109.39 3h88 n GLN 69 Ca 0.00 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.79 3h88 n GLN 69 Cb 0.00 -5.62 0.00 0.00 0.11 0.00 0.00 30.24 24.73 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 -1.63 1.64 3.65 1.08 0.00 -1.26 -5.00 105.19 103.67 3h88 n GLY 70 Ca -0.02 0.00 -0.42 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 -3.38 4.79 0.35 1.61 1.01 -0.61 -4.40 120.40 119.77 3h88 s VAL 71 Ca 0.00 1.67 0.09 0.00 0.00 0.00 0.00 61.98 63.74 3h88 s VAL 71 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 3h88 s VAL 71 CO 0.00 -0.11 0.01 0.42 0.00 0.00 0.00 175.10 175.42 3h88 s THR 72 N 2.95 2.48 0.48 3.92 -4.23 -1.26 -2.67 115.64 117.32 3h88 s THR 72 Ca 0.37 -1.99 0.17 0.00 -1.18 0.00 0.00 61.69 59.07 3h88 s THR 72 Cb -0.15 -2.81 0.33 0.00 1.34 0.00 0.00 72.50 71.21 3h88 s THR 72 CO 0.07 -0.16 2.03 -0.26 -0.54 0.00 0.00 174.62 175.76 3h88 h PHE 73 N 1.80 0.22 0.00 3.99 0.04 -1.88 -1.10 116.94 120.02 3h88 h PHE 73 Ca -0.43 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3h88 h PHE 73 Cb 1.25 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.33 3h88 h PHE 73 CO 0.71 0.11 0.00 0.72 -0.60 0.00 0.00 178.31 179.25 3h88 n HIS 74 N -4.46 0.72 1.10 -0.55 8.25 -1.26 -2.45 115.22 116.57 3h88 n HIS 74 Ca 0.06 0.30 0.11 0.00 -0.26 0.00 0.00 57.72 57.93 3h88 n HIS 74 Cb 0.34 -0.98 0.58 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.17 0.00 -4.25 0.41 8.00 -0.42 -4.72 116.55 113.40 3h88 n ASP 75 Ca 0.02 -0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 3h88 n ASP 75 Cb 0.19 -0.26 -0.16 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.51 2.30 -0.09 1.24 0.08 -1.02 -1.00 117.98 116.97 3h88 s PHE 76 Ca 0.23 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.62 3h88 s PHE 76 Cb 0.15 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3h88 s PHE 76 CO 0.33 -0.20 -0.10 0.99 -0.10 0.00 0.00 175.22 176.14 3h88 s THR 77 N -0.15 1.08 -0.21 0.64 2.01 -0.07 -4.79 115.64 114.15 3h88 s THR 77 Ca -0.03 -0.39 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 3h88 s THR 77 Cb -0.13 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3h88 s THR 77 CO 0.03 0.36 0.31 -0.63 -0.69 0.00 0.00 174.62 174.00 3h88 s ILE 78 N 1.13 5.27 0.18 1.82 -1.09 -1.26 -1.62 121.20 125.62 3h88 s ILE 78 Ca -0.06 0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.89 3h88 s ILE 78 Cb -0.14 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 37.09 3h88 s ILE 78 CO -0.02 0.30 0.03 -1.54 -1.23 0.00 0.00 174.94 172.49 3h88 n SER 79 N 4.27 1.73 -4.08 3.58 3.41 -0.19 -4.95 113.62 117.40 3h88 n SER 79 Ca -0.11 -1.86 -0.11 0.00 -0.26 0.00 0.00 58.87 56.53 3h88 n SER 79 Cb 0.51 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.95 0.65 0.75 7.33 3.76 -1.26 -0.19 115.29 124.38 3h88 s HIS 80 Ca 0.04 -0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 54.24 3h88 s HIS 80 Cb 0.00 -0.40 0.15 0.00 1.11 0.00 0.00 32.58 33.45 3h88 s HIS 80 CO 0.03 -0.15 1.03 -0.40 -0.85 0.00 0.00 174.74 174.40 3h88 n ASP 81 N 0.92 1.08 0.26 1.40 5.68 0.18 -4.93 116.55 121.14 3h88 n ASP 81 Ca -0.19 -1.98 0.16 0.00 -0.50 0.00 0.00 54.79 52.27 3h88 n ASP 81 Cb 0.57 -0.69 0.54 0.00 -1.14 0.00 0.00 41.12 40.40 3h88 n ASP 81 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3h88 h LYS 82 N 0.00 0.00 -0.01 0.11 1.57 -2.02 -1.27 116.57 114.95 3h88 h LYS 82 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3h88 h LYS 82 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3h88 h LYS 82 CO 0.33 0.02 -0.10 1.28 -0.57 0.00 0.00 179.45 180.41 3h88 n LEU 83 N -3.11 1.06 0.00 2.94 4.32 -1.26 -4.92 117.00 116.02 3h88 n LEU 83 Ca 0.01 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 3h88 n LEU 83 Cb 0.37 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 3h88 n LEU 83 CO 0.29 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 3h88 n GLY 84 N 1.23 0.51 3.74 -0.72 0.00 -0.48 -5.08 105.19 104.40 3h88 n GLY 84 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.93 4.31 0.39 1.61 2.20 -1.26 -4.71 119.74 121.34 3h88 s LYS 85 Ca 0.00 2.23 -0.19 0.00 -0.36 0.00 0.00 55.97 57.65 3h88 s LYS 85 Cb 0.00 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 33.09 3h88 s LYS 85 CO 0.00 -0.36 0.87 -1.25 -0.36 0.00 0.00 175.35 174.25 3h88 s PRO 86 N -0.39 4.14 -0.02 4.03 0.04 -1.26 -0.65 135.00 140.88 3h88 s PRO 86 Ca 0.58 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3h88 s PRO 86 Cb -0.40 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 3h88 s PRO 86 CO 0.42 0.04 -0.10 -0.51 0.04 0.00 0.00 177.00 176.89 3h88 s LEU 87 N -3.12 1.86 -0.14 -3.56 1.43 0.73 -4.58 118.68 111.30 3h88 s LEU 87 Ca 0.59 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3h88 s LEU 87 Cb -0.09 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 3h88 s LEU 87 CO 0.15 0.09 -0.11 -0.22 0.23 0.00 0.00 176.35 176.48 3h88 s LEU 88 N 0.06 2.78 -0.10 1.79 2.96 -1.26 -1.02 118.68 123.90 3h88 s LEU 88 Ca -0.01 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3h88 s LEU 88 Cb -0.08 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.99 3h88 s LEU 88 CO 0.00 0.15 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.38 3h88 s ILE 89 N 0.44 1.61 0.34 6.68 1.09 -0.64 -4.93 121.20 125.79 3h88 s ILE 89 Ca -0.09 -0.73 -0.04 0.00 -1.10 0.00 0.00 60.65 58.70 3h88 s ILE 89 Cb -0.16 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.76 3h88 s ILE 89 CO 0.04 0.46 0.60 -0.76 -0.10 0.00 0.00 174.94 175.18 3h88 s LEU 90 N 0.75 3.97 0.00 2.97 1.43 -1.26 -0.89 118.68 125.65 3h88 s LEU 90 Ca -0.11 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 53.60 3h88 s LEU 90 Cb -0.16 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.55 3h88 s LEU 90 CO 0.02 -0.29 0.61 -1.54 0.23 0.00 0.00 176.35 175.38 3h88 n SER 91 N -1.40 -1.75 0.00 2.29 3.41 -0.18 -4.70 113.62 111.30 3h88 n SER 91 Ca -0.02 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 3h88 n SER 91 Cb 0.55 3.05 0.00 0.00 -0.26 0.00 0.00 64.21 67.55 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 -0.54 1.36 0.25 5.00 0.00 -1.26 -1.19 105.19 108.81 3h88 n GLY 92 Ca -0.04 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -0.41 1.61 5.75 -1.96 -2.29 115.11 117.81 3h88 h GLN 93 Ca 0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 3h88 h GLN 93 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3h88 h GLN 93 CO 0.00 0.06 -0.21 0.00 -2.65 0.00 0.00 178.83 176.03 3h88 h ALA 94 N 1.94 0.85 -0.39 3.38 0.00 -1.77 -1.08 119.26 122.20 3h88 h ALA 94 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3h88 h ALA 94 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h88 h ALA 94 CO 0.01 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 3h88 h ALA 95 N 1.05 1.08 0.16 0.00 0.00 -0.60 -0.39 119.26 120.55 3h88 h ALA 95 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3h88 h ALA 95 Cb 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3h88 h ALA 95 CO 0.06 0.57 -0.08 0.93 0.00 0.00 0.00 179.25 180.73 3h88 h GLU 96 N 0.63 -0.20 -0.96 0.00 5.08 -1.23 -0.93 114.58 116.97 3h88 h GLU 96 Ca 0.11 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3h88 h GLU 96 Cb 0.55 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 3h88 h GLU 96 CO 0.03 0.01 0.61 -0.07 -1.00 0.00 0.00 179.01 178.60 3h88 h LEU 97 N -0.40 0.97 -0.92 1.33 3.38 -1.09 -0.20 115.31 118.38 3h88 h LEU 97 Ca -0.02 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3h88 h LEU 97 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h88 h LEU 97 CO 0.04 0.62 -0.17 0.00 0.09 0.00 0.00 178.44 179.01 3h88 h ALA 98 N 1.44 1.09 -0.11 1.53 0.00 -0.91 -0.83 119.26 121.46 3h88 h ALA 98 Ca 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 98 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h88 h ALA 98 CO -0.17 0.56 0.03 1.03 0.00 0.00 0.00 179.25 180.70 3h88 h SER 99 N 0.54 0.17 -0.06 0.00 0.87 -0.31 0.96 113.55 115.72 3h88 h SER 99 Ca 0.09 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3h88 h SER 99 Cb 0.60 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3h88 h SER 99 CO 0.04 0.35 0.05 1.56 -0.53 0.00 0.00 176.83 178.30 3h88 h GLN 100 N -0.02 0.00 -0.01 2.24 4.20 -0.73 0.88 115.11 121.67 3h88 h GLN 100 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3h88 h GLN 100 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3h88 h GLN 100 CO -0.00 0.00 -0.22 1.28 -0.67 0.00 0.00 178.83 179.22 3h88 n LEU 101 N -4.35 1.07 -3.04 1.46 4.32 -0.35 -4.95 117.00 111.17 3h88 n LEU 101 Ca -0.02 -0.29 -0.20 0.00 -0.02 0.00 0.00 56.01 55.48 3h88 n LEU 101 Cb 0.15 -0.11 0.06 0.00 -1.62 0.00 0.00 43.42 41.90 3h88 n LEU 101 CO 0.33 0.20 0.16 0.00 -1.22 0.00 0.00 177.39 176.85 3h88 n GLN 102 N -0.55 -6.23 -2.14 3.23 6.02 0.30 -4.89 117.38 113.13 3h88 n GLN 102 Ca 0.13 0.74 -0.42 0.00 -0.01 0.00 0.00 57.00 57.44 3h88 n GLN 102 Cb 0.35 -5.43 -0.03 0.00 1.02 0.00 0.00 30.24 26.14 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 -3.23 3.22 0.00 5.09 1.01 0.18 -4.35 120.40 122.32 3h88 s VAL 103 Ca 0.44 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3h88 s VAL 103 Cb -0.20 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3h88 s VAL 103 CO 0.55 0.07 0.00 -0.62 0.00 0.00 0.00 175.10 175.10 3h88 n GLU 104 N 3.98 5.42 -3.84 2.72 1.02 0.28 -4.84 120.64 125.38 3h88 n GLU 104 Ca 0.12 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 3h88 n GLU 104 Cb 0.42 -0.48 -0.13 0.00 -0.02 0.00 0.00 31.44 31.23 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 -0.94 -0.10 -0.01 1.62 -0.87 -0.90 -5.02 114.94 108.73 3h88 s ASN 105 Ca 0.00 0.18 0.05 0.00 -1.57 0.00 0.00 52.86 51.52 3h88 s ASN 105 Cb 0.00 0.23 -0.01 0.00 -0.02 0.00 0.00 41.25 41.44 3h88 s ASN 105 CO 0.00 -0.07 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.67 3h88 s ILE 106 N -0.08 1.26 -0.02 0.60 1.01 -1.26 -0.83 121.20 121.88 3h88 s ILE 106 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3h88 s ILE 106 Cb -0.02 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.42 3h88 s ILE 106 CO 0.00 0.35 -0.04 -1.00 0.00 0.00 0.00 174.94 174.26 3h88 s HIS 107 N -0.38 0.50 -0.02 3.97 3.76 -0.29 -4.86 115.29 117.97 3h88 s HIS 107 Ca 0.06 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 3h88 s HIS 107 Cb -0.06 -0.42 0.01 0.00 1.11 0.00 0.00 32.58 33.22 3h88 s HIS 107 CO -0.01 -0.08 0.05 -1.17 -0.85 0.00 0.00 174.74 172.68 3h88 s LEU 108 N 0.42 1.58 0.01 0.89 2.96 -1.26 -1.22 118.68 122.07 3h88 s LEU 108 Ca -0.05 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3h88 s LEU 108 Cb -0.08 0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.71 3h88 s LEU 108 CO -0.00 -0.05 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.39 3h88 s SER 109 N 0.36 0.38 0.04 3.68 0.15 -0.64 -4.63 113.70 113.04 3h88 s SER 109 Ca -0.03 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.42 3h88 s SER 109 Cb -0.04 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3h88 s SER 109 CO -0.01 -0.09 -0.14 -0.63 1.20 0.00 0.00 173.24 173.57 3h88 s ILE 110 N -0.64 1.09 -0.03 6.45 1.01 -1.26 -1.56 121.20 126.27 3h88 s ILE 110 Ca -0.05 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 3h88 s ILE 110 Cb -0.05 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.44 3h88 s ILE 110 CO -0.00 -0.01 0.22 -0.55 0.00 0.00 0.00 174.94 174.59 3h88 s SER 111 N -1.17 -0.12 0.05 3.58 0.15 -1.26 -5.01 113.70 109.92 3h88 s SER 111 Ca 0.01 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.74 3h88 s SER 111 Cb -0.08 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 3h88 s SER 111 CO 0.01 -0.32 -0.04 1.51 1.20 0.00 0.00 173.24 175.60 3h88 s ASP 112 N -0.95 0.60 0.00 5.45 -4.77 -1.26 -4.43 116.67 111.31 3h88 s ASP 112 Ca -0.10 -0.84 0.00 0.00 -3.30 0.00 0.00 52.55 48.31 3h88 s ASP 112 Cb -0.05 0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.92 3h88 s ASP 112 CO 0.02 -0.46 0.00 -1.84 0.70 0.00 0.00 175.17 173.59 3h88 n GLU 113 N 0.56 1.73 -0.24 2.11 -0.00 0.20 -5.00 120.64 120.01 3h88 n GLU 113 Ca -0.17 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.03 3h88 n GLU 113 Cb 0.59 0.00 0.16 0.00 -0.00 0.00 0.00 31.44 32.19 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h88 h ARG 114 N 0.00 0.38 0.00 3.44 3.08 -2.04 -3.18 114.38 116.06 3h88 h ARG 114 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3h88 h ARG 114 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3h88 h ARG 114 CO 0.00 0.25 -1.08 0.72 -1.07 0.00 0.00 179.97 178.78 3h88 n HIS 115 N -5.04 0.00 -4.12 3.04 8.25 -1.26 -4.91 115.22 111.19 3h88 n HIS 115 Ca 0.12 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.44 3h88 n HIS 115 Cb 0.38 -0.15 -0.13 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.51 0.53 0.46 4.41 2.02 -1.20 -1.50 117.35 119.56 3h88 s TYR 116 Ca -0.00 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 3h88 s TYR 116 Cb 0.08 -0.33 -0.03 0.00 -0.40 0.00 0.00 41.96 41.28 3h88 s TYR 116 CO 0.50 -0.04 0.16 0.00 -1.57 0.00 0.00 175.55 174.60 3h88 s ALA 117 N -0.56 3.80 0.00 3.71 0.00 -0.40 -0.63 121.76 127.68 3h88 s ALA 117 Ca -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.35 3h88 s ALA 117 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3h88 s ALA 117 CO 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.58 3h88 n ALA 119 N -1.30 0.00 -2.72 0.00 0.00 -0.61 -0.01 120.51 115.87 3h88 n ALA 119 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 3h88 n ALA 119 Cb 0.65 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.85 0.81 -0.02 0.00 2.01 -0.60 -1.36 115.64 114.62 3h88 s THR 120 Ca 0.00 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.62 3h88 s THR 120 Cb 0.00 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 3h88 s THR 120 CO 0.00 0.23 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 3h88 s VAL 121 N -0.16 1.24 -0.05 3.82 1.01 0.06 -1.62 120.40 124.70 3h88 s VAL 121 Ca 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3h88 s VAL 121 Cb -0.05 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 3h88 s VAL 121 CO -0.00 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.65 3h88 s ILE 122 N -0.21 1.51 -0.14 2.22 1.01 -0.35 -1.02 121.20 124.22 3h88 s ILE 122 Ca 0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3h88 s ILE 122 Cb -0.08 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3h88 s ILE 122 CO 0.00 0.43 0.07 -0.76 0.00 0.00 0.00 174.94 174.69 3h88 s LEU 123 N 0.16 3.95 0.05 2.97 1.43 -0.65 -1.13 118.68 125.46 3h88 s LEU 123 Ca -0.07 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 3h88 s LEU 123 Cb -0.13 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3h88 s LEU 123 CO 0.03 0.30 -0.16 -1.83 0.23 0.00 0.00 176.35 174.93 3h88 s GLU 124 N -0.39 0.98 0.00 1.70 -1.05 -0.01 -0.35 118.70 119.58 3h88 s GLU 124 Ca 0.10 -0.87 0.17 0.00 -0.15 0.00 0.00 54.97 54.22 3h88 s GLU 124 Cb -0.12 -1.02 0.14 0.00 -0.44 0.00 0.00 34.13 32.68 3h88 s GLU 124 CO 0.02 0.25 1.04 2.89 0.95 0.00 0.00 175.26 180.41