#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 n ILE 2 N 0.00 0.00 -0.00 0.00 5.41 -1.26 -4.66 119.36 118.85 3h88 n ILE 2 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 3h88 n ILE 2 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 3h88 n ILE 2 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3h88 h VAL 3 N 0.00 0.76 -1.54 1.39 2.07 -0.41 -3.48 116.25 115.05 3h88 h VAL 3 Ca 0.00 -2.50 0.24 0.00 0.82 0.00 0.00 66.70 65.25 3h88 h VAL 3 Cb 0.00 2.31 -0.19 0.00 -1.52 0.00 0.00 31.29 31.89 3h88 h VAL 3 CO 0.00 0.44 0.78 -0.83 0.02 0.00 0.00 177.57 177.98 3h88 s GLY 4 N -4.99 -0.29 -0.02 2.17 0.00 -1.13 -4.96 107.32 98.10 3h88 s GLY 4 Ca -0.04 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.29 3h88 s GLY 4 CO 0.82 0.55 0.00 -2.27 0.00 0.00 0.00 173.10 172.20 3h88 s LEU 5 N -2.14 1.44 0.03 0.66 2.96 -1.25 -1.18 118.68 119.20 3h88 s LEU 5 Ca 0.09 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 3h88 s LEU 5 Cb -0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.53 3h88 s LEU 5 CO -0.05 -0.07 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.05 3h88 s GLY 6 N 0.65 0.30 0.04 7.98 0.00 -0.04 -3.62 107.32 112.63 3h88 s GLY 6 Ca -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 3h88 s GLY 6 CO -0.01 -0.80 0.06 -1.08 0.00 0.00 0.00 173.10 171.26 3h88 s THR 7 N -1.98 0.14 -0.08 0.90 -1.32 -1.26 -0.44 115.64 111.60 3h88 s THR 7 Ca -0.11 -1.16 -0.23 0.00 -1.21 0.00 0.00 61.69 58.98 3h88 s THR 7 Cb -0.06 -0.88 0.05 0.00 -1.51 0.00 0.00 72.50 70.10 3h88 s THR 7 CO -0.03 -0.64 0.54 -0.62 -2.21 0.00 0.00 174.62 171.66 3h88 s ASP 8 N -2.13 -0.50 -0.04 8.08 2.15 -0.55 -4.47 116.67 119.22 3h88 s ASP 8 Ca -0.05 0.64 0.04 0.00 0.43 0.00 0.00 52.55 53.61 3h88 s ASP 8 Cb -0.01 0.64 -0.00 0.00 -0.30 0.00 0.00 42.92 43.24 3h88 s ASP 8 CO -0.05 -0.45 -0.16 -0.51 -0.17 0.00 0.00 175.17 173.83 3h88 s ILE 9 N -0.82 1.34 -0.02 4.11 2.07 -1.26 -1.77 121.20 124.85 3h88 s ILE 9 Ca -0.09 -0.68 0.03 0.00 -1.41 0.00 0.00 60.65 58.51 3h88 s ILE 9 Cb -0.03 -1.15 -0.00 0.00 0.13 0.00 0.00 42.46 41.41 3h88 s ILE 9 CO 0.06 0.39 -0.11 0.00 -1.91 0.00 0.00 174.94 173.36 3h88 s ALA 10 N -0.02 0.99 -0.26 1.50 0.00 0.22 -4.99 121.76 119.21 3h88 s ALA 10 Ca -0.02 -0.47 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 3h88 s ALA 10 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3h88 s ALA 10 CO 0.01 0.21 0.80 -2.00 0.00 0.00 0.00 175.76 174.78 3h88 s GLU 11 N -0.10 4.13 0.15 0.00 2.12 -1.26 -1.01 118.70 122.72 3h88 s GLU 11 Ca 0.01 0.82 -0.13 0.00 0.36 0.00 0.00 54.97 56.04 3h88 s GLU 11 Cb -0.06 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.68 3h88 s GLU 11 CO 0.00 -0.54 1.60 0.82 -0.54 0.00 0.00 175.26 176.60 3h88 h ILE 12 N 5.46 1.26 -0.23 -3.70 2.04 -1.48 -2.47 117.51 118.41 3h88 h ILE 12 Ca -0.24 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.58 3h88 h ILE 12 Cb 1.10 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3h88 h ILE 12 CO 0.86 0.37 0.15 -0.08 0.00 0.00 0.00 178.15 179.46 3h88 h GLU 13 N 0.71 0.22 -0.39 2.37 4.81 -1.91 -0.14 114.58 120.25 3h88 h GLU 13 Ca 0.14 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3h88 h GLU 13 Cb 0.51 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3h88 h GLU 13 CO 0.02 0.15 -0.23 0.00 -0.73 0.00 0.00 179.01 178.22 3h88 h ARG 14 N 0.23 0.78 -0.36 1.92 3.08 -1.83 -1.21 114.38 116.98 3h88 h ARG 14 Ca 0.09 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 3h88 h ARG 14 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3h88 h ARG 14 CO -0.02 0.94 0.10 0.28 -1.07 0.00 0.00 179.97 180.20 3h88 h VAL 15 N 0.68 1.22 -0.77 2.04 2.07 -1.09 -1.89 116.25 118.50 3h88 h VAL 15 Ca 0.09 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3h88 h VAL 15 Cb 0.75 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3h88 h VAL 15 CO 0.06 0.25 0.49 -0.33 0.02 0.00 0.00 177.57 178.06 3h88 h GLU 16 N 0.44 0.92 -0.54 1.57 5.08 -0.88 -1.33 114.58 119.83 3h88 h GLU 16 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3h88 h GLU 16 Cb 0.29 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3h88 h GLU 16 CO -0.00 0.61 0.20 0.87 -1.00 0.00 0.00 179.01 179.68 3h88 h LYS 17 N 0.94 0.83 -0.83 2.33 1.57 -1.14 -0.34 116.57 119.93 3h88 h LYS 17 Ca 0.31 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3h88 h LYS 17 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3h88 h LYS 17 CO -0.12 0.73 0.42 0.00 -0.57 0.00 0.00 179.45 179.91 3h88 h ALA 18 N 1.05 1.17 -0.36 3.86 0.00 -1.08 -1.90 119.26 122.01 3h88 h ALA 18 Ca 0.18 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 18 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h88 h ALA 18 CO -0.01 0.64 -0.22 -0.07 0.00 0.00 0.00 179.25 179.59 3h88 h LEU 19 N 1.17 0.71 -1.68 0.00 3.38 -0.85 0.16 115.31 118.20 3h88 h LEU 19 Ca 0.29 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3h88 h LEU 19 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3h88 h LEU 19 CO -0.04 0.91 -0.18 0.00 0.09 0.00 0.00 178.44 179.22 3h88 h ALA 20 N 1.15 1.58 0.07 1.53 0.00 -0.66 0.04 119.26 122.96 3h88 h ALA 20 Ca 0.09 -0.17 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 3h88 h ALA 20 Cb 0.70 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3h88 h ALA 20 CO 0.05 0.23 -1.86 0.54 0.00 0.00 0.00 179.25 178.22 3h88 n ARG 21 N -4.16 0.68 0.00 0.00 1.74 -0.75 -4.73 116.66 109.44 3h88 n ARG 21 Ca -0.02 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3h88 n ARG 21 Cb 0.25 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 -3.79 0.44 0.00 0.55 7.64 0.53 -5.08 113.62 113.91 3h88 n SER 22 Ca -0.35 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 58.81 3h88 n SER 22 Cb 0.92 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 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 0.46 3.00 0.37 0.23 0.00 -0.00 -1.68 105.19 107.57 3h88 n GLY 23 Ca 0.00 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.64 1.61 4.57 -1.95 -0.49 114.58 117.87 3h88 h GLU 24 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3h88 h GLU 24 Cb 0.00 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 3h88 h GLU 24 CO 0.00 0.12 0.38 -0.91 -1.18 0.00 0.00 179.01 177.42 3h88 h ASN 25 N 0.19 0.77 -0.03 1.04 2.35 -1.75 0.51 115.58 118.66 3h88 h ASN 25 Ca 0.28 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3h88 h ASN 25 Cb 0.86 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3h88 h ASN 25 CO -0.05 0.61 -0.02 0.15 -1.65 0.00 0.00 177.43 176.48 3h88 h PHE 26 N 0.86 0.07 -0.73 1.19 3.57 -1.10 -3.14 116.94 117.68 3h88 h PHE 26 Ca 0.23 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 3h88 h PHE 26 Cb -0.01 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 3h88 h PHE 26 CO -0.02 0.48 0.42 0.00 -2.23 0.00 0.00 178.31 176.97 3h88 h ALA 27 N 0.58 0.98 0.00 2.41 0.00 -0.95 -1.79 119.26 120.50 3h88 h ALA 27 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 27 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h88 h ALA 27 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3h88 h ARG 28 N 0.78 0.00 0.00 0.00 3.08 -0.98 0.12 114.38 117.38 3h88 h ARG 28 Ca 0.32 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.31 3h88 h ARG 28 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3h88 h ARG 28 CO -0.17 0.00 -0.27 0.00 -1.07 0.00 0.00 179.97 178.46 3h88 h ARG 29 N 0.00 0.00 0.00 0.04 3.08 -1.26 -3.35 114.38 112.89 3h88 h ARG 29 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 3h88 h ARG 29 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 3h88 h ARG 29 CO 0.00 0.27 -1.93 -0.89 -1.07 0.00 0.00 179.97 176.35 3h88 n ILE 30 N -3.50 0.94 -3.74 2.04 5.41 -0.57 -4.65 119.36 115.29 3h88 n ILE 30 Ca -0.00 -0.39 -0.36 0.00 1.00 0.00 0.00 62.75 63.00 3h88 n ILE 30 Cb 0.43 -1.03 -0.06 0.00 -0.71 0.00 0.00 39.64 38.28 3h88 n ILE 30 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3h88 s LEU 31 N -5.83 4.39 0.78 1.39 1.43 0.30 -4.44 118.68 116.71 3h88 s LEU 31 Ca -0.20 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 3h88 s LEU 31 Cb 0.05 -2.50 0.06 0.00 0.03 0.00 0.00 46.19 43.83 3h88 s LEU 31 CO 0.40 0.31 1.10 0.42 0.23 0.00 0.00 176.35 178.81 3h88 s THR 32 N -1.19 3.07 0.34 5.49 -4.23 -1.26 -4.64 115.64 113.22 3h88 s THR 32 Ca 0.24 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 61.14 3h88 s THR 32 Cb -0.14 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.83 3h88 s THR 32 CO 0.12 -0.45 1.93 0.44 -0.54 0.00 0.00 174.62 176.12 3h88 h ASP 33 N -1.00 0.74 -0.02 3.99 3.32 -1.98 -1.68 116.42 119.79 3h88 h ASP 33 Ca -0.47 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 3h88 h ASP 33 Cb 1.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3h88 h ASP 33 CO 0.61 0.46 -0.26 0.77 -1.72 0.00 0.00 179.24 179.10 3h88 h SER 34 N 0.83 0.45 1.18 6.45 4.64 -2.03 -2.77 113.55 122.30 3h88 h SER 34 Ca 0.36 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.45 3h88 h SER 34 Cb 0.31 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3h88 h SER 34 CO -0.13 0.71 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.84 3h88 h GLU 35 N 0.39 0.00 0.00 4.77 5.08 -1.70 -3.25 114.58 119.88 3h88 h GLU 35 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3h88 h GLU 35 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3h88 h GLU 35 CO 0.05 0.37 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.31 3h88 h LEU 36 N 0.00 0.00 -0.53 1.33 3.38 -1.05 -2.38 115.31 116.07 3h88 h LEU 36 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3h88 h LEU 36 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3h88 h LEU 36 CO 0.05 0.05 0.35 -0.33 0.09 0.00 0.00 178.44 178.65 3h88 h GLU 37 N 0.00 0.69 -0.09 1.13 5.08 -1.67 -0.19 114.58 119.54 3h88 h GLU 37 Ca -0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 3h88 h GLU 37 Cb 0.09 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3h88 h GLU 37 CO 0.01 0.46 -0.72 1.96 -1.00 0.00 0.00 179.01 179.72 3h88 h GLN 38 N 0.71 0.45 -0.36 2.33 4.20 -1.70 -2.53 115.11 118.21 3h88 h GLN 38 Ca 0.19 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.57 3h88 h GLN 38 Cb -0.08 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3h88 h GLN 38 CO -0.04 0.99 0.19 0.35 -0.67 0.00 0.00 178.83 179.65 3h88 h PHE 39 N 0.31 0.35 0.00 2.96 3.57 -1.30 -2.44 116.94 120.40 3h88 h PHE 39 Ca -0.03 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3h88 h PHE 39 Cb 1.29 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3h88 h PHE 39 CO 0.05 0.19 -0.23 0.45 -2.23 0.00 0.00 178.31 176.54 3h88 h HIS 40 N 0.39 0.00 0.00 0.41 3.86 -0.94 -1.40 115.15 117.47 3h88 h HIS 40 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3h88 h HIS 40 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3h88 h HIS 40 CO -0.09 0.23 0.00 0.00 0.86 0.00 0.00 177.93 178.93 3h88 h ALA 41 N 1.77 1.00 -2.74 2.45 0.00 -1.12 -3.46 119.26 117.16 3h88 h ALA 41 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3h88 h ALA 41 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.29 3h88 h ALA 41 CO 0.03 0.00 0.50 0.45 0.00 0.00 0.00 179.25 180.23 3h88 s SER 42 N -5.05 6.75 -0.09 0.00 0.15 -0.53 -4.94 113.70 109.98 3h88 s SER 42 Ca 0.08 2.34 0.19 0.00 0.70 0.00 0.00 55.95 59.25 3h88 s SER 42 Cb 0.10 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 62.48 3h88 s SER 42 CO 0.58 -0.52 1.60 0.29 1.20 0.00 0.00 173.24 176.39 3h88 n LYS 43 N 0.40 3.55 -3.21 5.44 5.02 -1.26 -4.49 118.16 123.61 3h88 n LYS 43 Ca 0.03 -2.83 -0.23 0.00 -2.02 0.00 0.00 58.31 53.25 3h88 n LYS 43 Cb 0.46 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.13 1.19 -0.03 1.97 6.02 -1.26 -4.98 117.38 121.42 3h88 n GLN 44 Ca 0.25 -3.57 -0.09 0.00 -0.01 0.00 0.00 57.00 53.58 3h88 n GLN 44 Cb 0.84 -1.54 0.07 0.00 1.02 0.00 0.00 30.24 30.63 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 3.76 0.64 -0.39 -1.09 4.20 -1.89 -1.09 115.11 119.24 3h88 h GLN 45 Ca 0.10 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.49 3h88 h GLN 45 Cb 0.84 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 3h88 h GLN 45 CO 0.55 0.95 0.20 0.78 -0.67 0.00 0.00 178.83 180.64 3h88 h GLY 46 N 1.00 0.53 0.98 3.46 0.00 -1.94 0.87 103.07 107.97 3h88 h GLY 46 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3h88 h GLY 46 CO 0.09 0.12 0.18 -0.09 0.00 0.00 0.00 176.54 176.84 3h88 h ARG 47 N 0.42 0.37 -0.30 4.80 2.43 -1.81 -0.53 114.38 119.75 3h88 h ARG 47 Ca 0.16 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3h88 h ARG 47 Cb 0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3h88 h ARG 47 CO -0.10 0.24 0.18 0.35 -1.51 0.00 0.00 179.97 179.13 3h88 h PHE 48 N 0.38 0.39 -0.29 2.20 3.57 -0.96 -2.51 116.94 119.72 3h88 h PHE 48 Ca 0.11 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 3h88 h PHE 48 Cb -0.03 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3h88 h PHE 48 CO -0.06 0.29 -0.47 1.25 -2.23 0.00 0.00 178.31 177.09 3h88 h LEU 49 N 0.38 0.83 -0.66 0.59 5.85 -0.72 -2.14 115.31 119.44 3h88 h LEU 49 Ca 0.11 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.48 3h88 h LEU 49 Cb 0.01 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 3h88 h LEU 49 CO -0.02 1.16 0.36 0.00 -0.34 0.00 0.00 178.44 179.60 3h88 h ALA 50 N 0.87 0.89 -0.38 1.25 0.00 -0.91 0.28 119.26 121.25 3h88 h ALA 50 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 50 Cb 1.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3h88 h ALA 50 CO 0.10 0.03 -0.16 0.87 0.00 0.00 0.00 179.25 180.09 3h88 h LYS 51 N 0.67 0.78 -0.47 0.00 1.57 -1.27 -0.86 116.57 116.99 3h88 h LYS 51 Ca 0.30 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3h88 h LYS 51 Cb 0.19 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3h88 h LYS 51 CO -0.19 0.95 0.12 0.00 -0.57 0.00 0.00 179.45 179.77 3h88 h ARG 52 N 0.57 0.74 -0.40 3.15 2.47 -1.03 -1.30 114.38 118.58 3h88 h ARG 52 Ca 0.09 -0.17 0.06 0.00 -1.26 0.00 0.00 59.98 58.69 3h88 h ARG 52 Cb 0.71 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.87 3h88 h ARG 52 CO 0.05 0.73 0.09 0.35 0.56 0.00 0.00 179.97 181.74 3h88 h PHE 53 N 0.63 0.14 -0.55 3.04 3.57 -0.29 -1.09 116.94 122.39 3h88 h PHE 53 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3h88 h PHE 53 Cb 0.31 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3h88 h PHE 53 CO 0.02 0.02 0.18 0.00 -2.23 0.00 0.00 178.31 176.30 3h88 h ALA 54 N 1.30 0.72 -0.55 2.41 0.00 -1.00 -0.26 119.26 121.88 3h88 h ALA 54 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 54 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3h88 h ALA 54 CO -0.24 0.37 0.28 0.00 0.00 0.00 0.00 179.25 179.65 3h88 h ALA 55 N 1.04 0.70 -0.25 0.00 0.00 -1.05 0.08 119.26 119.78 3h88 h ALA 55 Ca 0.18 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3h88 h ALA 55 Cb 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h88 h ALA 55 CO -0.01 0.25 -0.57 0.87 0.00 0.00 0.00 179.25 179.79 3h88 h LYS 56 N 0.74 0.80 -0.60 0.00 1.57 -0.96 -0.49 116.57 117.63 3h88 h LYS 56 Ca 0.19 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3h88 h LYS 56 Cb 0.09 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3h88 h LYS 56 CO -0.03 1.15 0.29 0.93 -0.57 0.00 0.00 179.45 181.22 3h88 h GLU 57 N 0.61 0.86 -0.50 3.15 4.39 -0.85 -0.91 114.58 121.34 3h88 h GLU 57 Ca 0.01 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 3h88 h GLU 57 Cb 1.17 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 3h88 h GLU 57 CO 0.12 0.70 0.09 0.00 -1.16 0.00 0.00 179.01 178.76 3h88 h ALA 58 N 1.12 0.66 -0.68 3.43 0.00 -0.87 -1.78 119.26 121.14 3h88 h ALA 58 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 58 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 58 CO -0.03 0.39 0.31 0.00 0.00 0.00 0.00 179.25 179.92 3h88 h ALA 59 N 0.97 1.25 -0.07 0.00 0.00 -0.75 -1.17 119.26 119.50 3h88 h ALA 59 Ca 0.15 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3h88 h ALA 59 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h88 h ALA 59 CO 0.01 0.56 -0.56 0.66 0.00 0.00 0.00 179.25 179.92 3h88 h SER 60 N 0.97 0.24 -0.05 0.00 4.64 -0.80 -1.99 113.55 116.55 3h88 h SER 60 Ca 0.23 -0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 61.26 3h88 h SER 60 Cb 0.13 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3h88 h SER 60 CO -0.03 0.75 -0.56 0.11 -0.87 0.00 0.00 176.83 176.23 3h88 h LYS 61 N 0.16 0.64 -0.45 4.77 1.57 -0.97 -1.62 116.57 120.68 3h88 h LYS 61 Ca -0.00 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3h88 h LYS 61 Cb 1.04 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 3h88 h LYS 61 CO 0.09 1.03 0.30 0.00 -0.57 0.00 0.00 179.45 180.30 3h88 h ALA 62 N 0.88 1.69 0.00 3.86 0.00 -0.89 -1.19 119.26 123.61 3h88 h ALA 62 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 62 Cb 1.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3h88 h ALA 62 CO 0.11 0.29 -0.18 1.25 0.00 0.00 0.00 179.25 180.72 3h88 h LEU 63 N 0.61 0.00 0.00 0.00 5.85 -1.13 -3.34 115.31 117.29 3h88 h LEU 63 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3h88 h LEU 63 Cb -0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3h88 h LEU 63 CO -0.04 0.18 0.00 0.61 -0.34 0.00 0.00 178.44 178.85 3h88 n GLY 64 N 0.45 0.88 0.04 3.75 0.00 -0.45 -4.95 105.19 104.90 3h88 n GLY 64 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.24 0.48 -4.21 2.61 -2.24 -1.10 -5.02 114.28 102.55 3h88 n THR 65 Ca 0.00 -0.38 0.01 0.00 -2.27 0.00 0.00 64.05 61.42 3h88 n THR 65 Cb 0.00 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 2.20 -1.44 3.43 3.38 0.00 -0.65 -3.94 105.19 108.17 3h88 n GLY 66 Ca -0.12 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 3h88 n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h88 n ILE 67 N -1.46 4.17 -3.81 -0.61 2.08 -1.26 -4.73 119.36 113.74 3h88 n ILE 67 Ca 0.00 -4.51 -0.05 0.00 0.56 0.00 0.00 62.75 58.75 3h88 n ILE 67 Cb 0.05 -2.43 -0.00 0.00 -0.75 0.00 0.00 39.64 36.50 3h88 n ILE 67 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3h88 s ALA 68 N 2.15 -1.42 -1.43 -1.39 0.00 -1.12 -4.94 121.76 113.60 3h88 s ALA 68 Ca 0.45 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 3h88 s ALA 68 Cb 0.00 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.86 3h88 s ALA 68 CO 0.02 -1.04 0.49 1.04 0.00 0.00 0.00 175.76 176.27 3h88 n GLN 69 N -0.53 -4.03 -0.93 0.00 1.13 -1.26 -1.50 117.38 110.26 3h88 n GLN 69 Ca -0.05 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.74 3h88 n GLN 69 Cb 0.60 -5.51 0.00 0.00 0.11 0.00 0.00 30.24 25.44 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 0.79 3.51 1.08 0.00 -1.26 -4.97 105.19 103.02 3h88 n GLY 70 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.31 4.34 0.39 1.61 1.01 -0.56 -4.59 120.40 119.29 3h88 s VAL 71 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.26 3h88 s VAL 71 Cb 0.00 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 3h88 s VAL 71 CO 0.00 -1.20 0.43 0.42 0.00 0.00 0.00 175.10 174.75 3h88 s THR 72 N 4.06 3.10 0.40 3.92 -4.23 -1.26 -2.81 115.64 118.82 3h88 s THR 72 Ca 0.30 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.67 3h88 s THR 72 Cb -0.13 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.86 3h88 s THR 72 CO 0.18 -0.05 2.01 -0.26 -0.54 0.00 0.00 174.62 175.96 3h88 h PHE 73 N 0.94 0.46 0.00 3.99 0.04 -1.88 -1.59 116.94 118.90 3h88 h PHE 73 Ca -0.42 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3h88 h PHE 73 Cb 1.27 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.27 3h88 h PHE 73 CO 0.47 0.35 0.00 0.72 -0.60 0.00 0.00 178.31 179.25 3h88 n HIS 74 N -4.42 0.00 1.92 -0.55 8.25 -1.26 -2.36 115.22 116.81 3h88 n HIS 74 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 3h88 n HIS 74 Cb 0.12 -0.34 0.72 0.00 1.12 0.00 0.00 29.99 31.61 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 0.19 -4.13 0.41 8.00 -0.60 -4.75 116.55 114.33 3h88 n ASP 75 Ca 0.09 -1.25 -0.29 0.00 0.71 0.00 0.00 54.79 54.05 3h88 n ASP 75 Cb 0.19 -0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.99 2.04 -0.09 1.24 0.08 -0.99 -1.19 117.98 117.08 3h88 s PHE 76 Ca 0.38 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.67 3h88 s PHE 76 Cb 0.18 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 3h88 s PHE 76 CO 0.29 -0.34 -0.21 0.99 -0.10 0.00 0.00 175.22 175.86 3h88 s THR 77 N 0.45 1.82 -0.21 0.64 2.01 0.03 -4.77 115.64 115.60 3h88 s THR 77 Ca -0.16 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 3h88 s THR 77 Cb -0.17 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 3h88 s THR 77 CO 0.06 0.51 0.11 -0.63 -0.69 0.00 0.00 174.62 173.98 3h88 s ILE 78 N 0.41 5.09 0.00 1.82 -1.09 -1.26 -1.16 121.20 125.02 3h88 s ILE 78 Ca -0.18 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 3h88 s ILE 78 Cb -0.17 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 3h88 s ILE 78 CO 0.08 0.40 0.00 -1.54 -1.23 0.00 0.00 174.94 172.65 3h88 n SER 79 N 3.95 1.06 -3.82 3.58 3.41 0.17 -4.95 113.62 117.02 3h88 n SER 79 Ca -0.16 -0.84 -0.12 0.00 -0.26 0.00 0.00 58.87 57.49 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 -1.23 -0.12 0.34 7.33 3.76 -1.26 -0.45 115.29 123.65 3h88 s HIS 80 Ca 0.00 0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 55.13 3h88 s HIS 80 Cb 0.00 0.03 0.08 0.00 1.11 0.00 0.00 32.58 33.80 3h88 s HIS 80 CO 0.00 -0.21 0.46 -0.40 -0.85 0.00 0.00 174.74 173.74 3h88 n ASP 81 N 2.19 0.13 0.28 1.40 5.68 -0.31 -4.91 116.55 121.01 3h88 n ASP 81 Ca -0.17 -1.22 0.17 0.00 -0.50 0.00 0.00 54.79 53.06 3h88 n ASP 81 Cb 0.57 -0.34 0.79 0.00 -1.14 0.00 0.00 41.12 41.00 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 -1.77 116.57 114.45 3h88 h LYS 82 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3h88 h LYS 82 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3h88 h LYS 82 CO 0.11 0.05 -0.36 1.28 -0.57 0.00 0.00 179.45 179.96 3h88 n LEU 83 N -3.22 1.38 0.00 2.94 4.77 -1.26 -4.95 117.00 116.65 3h88 n LEU 83 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3h88 n LEU 83 Cb 0.25 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3h88 n LEU 83 CO 0.27 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3h88 n GLY 84 N 1.38 0.58 3.73 -0.72 0.00 -0.66 -5.07 105.19 104.43 3h88 n GLY 84 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.90 4.42 0.40 1.61 2.20 -1.26 -4.73 119.74 121.48 3h88 s LYS 85 Ca 0.00 1.97 -0.23 0.00 -0.36 0.00 0.00 55.97 57.35 3h88 s LYS 85 Cb 0.00 -3.23 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 3h88 s LYS 85 CO 0.00 -0.22 0.97 -1.25 -0.36 0.00 0.00 175.35 174.50 3h88 s PRO 86 N 0.09 4.26 0.02 4.03 0.04 -1.26 -1.17 135.00 141.01 3h88 s PRO 86 Ca 0.56 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.91 3h88 s PRO 86 Cb -0.35 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 3h88 s PRO 86 CO 0.36 -0.01 -0.12 -0.51 0.04 0.00 0.00 177.00 176.75 3h88 s LEU 87 N -2.84 2.10 -0.12 -3.56 1.43 0.41 -4.56 118.68 111.53 3h88 s LEU 87 Ca 0.59 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3h88 s LEU 87 Cb -0.14 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 3h88 s LEU 87 CO 0.19 0.07 -0.14 -0.22 0.23 0.00 0.00 176.35 176.48 3h88 s LEU 88 N -0.74 2.65 -0.09 1.79 2.96 -1.26 -0.65 118.68 123.33 3h88 s LEU 88 Ca 0.02 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3h88 s LEU 88 Cb -0.06 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.05 3h88 s LEU 88 CO 0.00 0.18 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.42 3h88 s ILE 89 N 0.28 1.48 0.15 6.68 1.01 -0.30 -4.93 121.20 125.56 3h88 s ILE 89 Ca -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3h88 s ILE 89 Cb -0.16 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 3h88 s ILE 89 CO 0.06 0.43 0.39 -0.76 0.00 0.00 0.00 174.94 175.06 3h88 s LEU 90 N 0.72 4.25 0.36 2.97 1.43 -1.26 -0.78 118.68 126.37 3h88 s LEU 90 Ca -0.12 0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3h88 s LEU 90 Cb -0.16 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.71 3h88 s LEU 90 CO 0.03 0.04 0.48 -0.94 0.23 0.00 0.00 176.35 176.19 3h88 s SER 91 N -2.45 1.07 0.88 2.29 1.04 -0.33 -4.72 113.70 111.48 3h88 s SER 91 Ca 0.42 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.30 3h88 s SER 91 Cb -0.12 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3h88 s SER 91 CO 0.24 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3h88 n GLY 92 N -0.60 2.29 0.28 7.32 0.00 -1.26 -1.87 105.19 111.36 3h88 n GLY 92 Ca 0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 0.71 -0.75 1.61 5.75 -1.94 -2.17 115.11 118.33 3h88 h GLN 93 Ca 0.00 -0.17 0.05 0.00 -0.15 0.00 0.00 58.65 58.37 3h88 h GLN 93 Cb 0.00 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.41 3h88 h GLN 93 CO 0.00 0.72 0.45 0.00 -2.65 0.00 0.00 178.83 177.35 3h88 h ALA 94 N 1.34 1.00 -0.19 3.38 0.00 -1.81 -0.35 119.26 122.63 3h88 h ALA 94 Ca 0.14 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 94 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3h88 h ALA 94 CO 0.01 0.20 -0.51 0.00 0.00 0.00 0.00 179.25 178.95 3h88 h ALA 95 N 1.35 0.74 0.03 0.00 0.00 -1.02 -0.06 119.26 120.30 3h88 h ALA 95 Ca 0.32 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h88 h ALA 95 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h88 h ALA 95 CO -0.15 0.68 -0.01 1.49 0.00 0.00 0.00 179.25 181.26 3h88 h GLU 96 N 0.43 -0.04 -0.70 0.00 4.57 -0.98 -1.79 114.58 116.06 3h88 h GLU 96 Ca 0.02 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3h88 h GLU 96 Cb 1.04 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 3h88 h GLU 96 CO 0.10 0.04 0.23 -0.07 -1.18 0.00 0.00 179.01 178.12 3h88 h LEU 97 N -0.11 1.00 -1.16 1.64 3.38 -0.95 -2.32 115.31 116.79 3h88 h LEU 97 Ca -0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3h88 h LEU 97 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3h88 h LEU 97 CO 0.01 0.92 0.08 0.00 0.09 0.00 0.00 178.44 179.54 3h88 h ALA 98 N 1.21 1.32 -0.00 1.53 0.00 -0.86 -1.66 119.26 120.79 3h88 h ALA 98 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 98 Cb 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3h88 h ALA 98 CO -0.01 0.48 0.00 0.77 0.00 0.00 0.00 179.25 180.49 3h88 h SER 99 N 0.64 0.01 -0.26 0.00 0.02 -0.89 0.10 113.55 113.17 3h88 h SER 99 Ca 0.14 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3h88 h SER 99 Cb 0.29 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3h88 h SER 99 CO 0.00 0.02 0.18 1.56 -1.14 0.00 0.00 176.83 177.46 3h88 h GLN 100 N -0.01 0.21 -0.00 3.45 4.20 -1.10 0.10 115.11 121.95 3h88 h GLN 100 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3h88 h GLN 100 Cb 0.02 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3h88 h GLN 100 CO -0.00 0.14 -0.13 1.28 -0.67 0.00 0.00 178.83 179.45 3h88 n LEU 101 N -4.49 0.61 -3.49 1.46 4.77 -0.65 -4.93 117.00 110.28 3h88 n LEU 101 Ca 0.02 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 3h88 n LEU 101 Cb 0.18 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3h88 n LEU 101 CO 0.35 0.11 0.21 0.00 -1.33 0.00 0.00 177.39 176.73 3h88 n GLN 102 N -0.84 -7.46 -1.91 3.23 6.02 0.02 -4.83 117.38 111.60 3h88 n GLN 102 Ca 0.15 0.84 -0.42 0.00 -0.01 0.00 0.00 57.00 57.56 3h88 n GLN 102 Cb 0.29 -5.85 -0.03 0.00 1.02 0.00 0.00 30.24 25.67 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 -3.30 2.51 -0.01 5.09 1.01 0.23 -4.27 120.40 121.66 3h88 s VAL 103 Ca 0.54 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.92 3h88 s VAL 103 Cb -0.24 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3h88 s VAL 103 CO 0.67 0.04 0.02 -0.62 0.00 0.00 0.00 175.10 175.21 3h88 n GLU 104 N 3.50 1.99 -4.28 2.72 1.02 0.45 -4.83 120.64 121.21 3h88 n GLU 104 Ca 0.12 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 57.07 3h88 n GLU 104 Cb 0.38 -1.04 -0.15 0.00 -0.02 0.00 0.00 31.44 30.61 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 -2.74 0.97 -0.08 1.62 -0.87 -0.58 -5.03 114.94 108.23 3h88 s ASN 105 Ca -0.01 -0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.18 3h88 s ASN 105 Cb 0.01 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.25 40.98 3h88 s ASN 105 CO 0.07 0.04 -0.21 -0.63 -2.57 0.00 0.00 177.10 173.80 3h88 s ILE 106 N 0.23 1.82 -0.04 0.60 1.01 -1.26 -1.26 121.20 122.31 3h88 s ILE 106 Ca -0.03 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.78 3h88 s ILE 106 Cb -0.08 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3h88 s ILE 106 CO 0.00 0.51 -0.21 -1.00 0.00 0.00 0.00 174.94 174.24 3h88 s HIS 107 N 0.26 2.02 -0.01 3.97 3.76 -0.49 -4.82 115.29 119.98 3h88 s HIS 107 Ca -0.13 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 3h88 s HIS 107 Cb -0.16 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.21 3h88 s HIS 107 CO 0.06 -0.14 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.60 3h88 s LEU 108 N -0.21 1.79 0.03 0.89 2.96 -1.26 -1.04 118.68 121.84 3h88 s LEU 108 Ca 0.00 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3h88 s LEU 108 Cb -0.11 -0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.28 3h88 s LEU 108 CO 0.02 0.02 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.41 3h88 s SER 109 N 0.20 1.30 0.02 3.68 0.15 -0.48 -4.65 113.70 113.92 3h88 s SER 109 Ca -0.02 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.25 3h88 s SER 109 Cb -0.06 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 3h88 s SER 109 CO -0.00 -0.02 -0.16 -0.63 1.20 0.00 0.00 173.24 173.62 3h88 s ILE 110 N -0.88 1.27 -0.02 6.45 1.01 -1.26 -1.21 121.20 126.56 3h88 s ILE 110 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3h88 s ILE 110 Cb -0.08 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3h88 s ILE 110 CO 0.01 0.20 0.20 -0.55 0.00 0.00 0.00 174.94 174.80 3h88 s SER 111 N -0.79 -0.08 0.03 3.58 0.15 -1.26 -5.00 113.70 110.33 3h88 s SER 111 Ca 0.05 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 3h88 s SER 111 Cb -0.07 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 3h88 s SER 111 CO 0.01 -0.35 -0.01 1.51 1.20 0.00 0.00 173.24 175.59 3h88 s ASP 112 N -1.14 0.30 0.00 5.45 -4.77 -1.26 -4.40 116.67 110.85 3h88 s ASP 112 Ca -0.12 -0.64 0.00 0.00 -3.30 0.00 0.00 52.55 48.49 3h88 s ASP 112 Cb -0.06 0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.92 3h88 s ASP 112 CO 0.02 -0.41 0.00 -1.84 0.70 0.00 0.00 175.17 173.64 3h88 n GLU 113 N 1.08 2.55 -0.27 2.11 -0.00 0.28 -4.99 120.64 121.40 3h88 n GLU 113 Ca -0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 56.95 3h88 n GLU 113 Cb 0.57 0.00 0.12 0.00 -0.00 0.00 0.00 31.44 32.13 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3h88 h ARG 114 N 0.00 0.81 0.00 3.44 2.43 -2.04 -3.26 114.38 115.76 3h88 h ARG 114 Ca 0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3h88 h ARG 114 Cb 0.00 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3h88 h ARG 114 CO 0.00 0.53 -1.68 0.72 -1.51 0.00 0.00 179.97 178.03 3h88 n HIS 115 N -4.70 0.00 -4.28 2.20 8.25 -1.26 -4.89 115.22 110.54 3h88 n HIS 115 Ca 0.10 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.39 3h88 n HIS 115 Cb 0.18 -0.34 -0.14 0.00 1.12 0.00 0.00 29.99 30.81 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 -3.02 0.89 0.52 4.41 2.02 -1.23 -1.15 117.35 119.79 3h88 s TYR 116 Ca -0.05 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3h88 s TYR 116 Cb 0.09 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3h88 s TYR 116 CO 0.62 -0.01 0.17 0.00 -1.57 0.00 0.00 175.55 174.76 3h88 s ALA 117 N -0.64 4.24 -0.25 3.71 0.00 -0.18 -0.56 121.76 128.08 3h88 s ALA 117 Ca 0.00 -0.76 -0.36 0.00 0.00 0.00 0.00 51.96 50.84 3h88 s ALA 117 Cb -0.06 -0.30 0.15 0.00 0.00 0.00 0.00 23.12 22.92 3h88 s ALA 117 CO 0.00 -0.20 1.31 0.00 0.00 0.00 0.00 175.76 176.88 3h88 s ALA 119 N -2.83 -2.15 0.00 0.00 0.00 -0.73 -0.61 121.76 115.45 3h88 s ALA 119 Ca 0.18 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.94 3h88 s ALA 119 Cb 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 3h88 s ALA 119 CO 0.11 -0.53 -0.00 0.99 0.00 0.00 0.00 175.76 176.33 3h88 s THR 120 N -2.05 0.01 0.00 0.00 2.01 -0.35 -1.47 115.64 113.80 3h88 s THR 120 Ca 0.10 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.06 3h88 s THR 120 Cb -0.01 -0.04 -0.01 0.00 0.01 0.00 0.00 72.50 72.45 3h88 s THR 120 CO -0.04 -0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.02 3h88 s VAL 121 N -0.14 1.06 -0.04 3.82 1.01 0.42 -1.38 120.40 125.14 3h88 s VAL 121 Ca -0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3h88 s VAL 121 Cb -0.01 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3h88 s VAL 121 CO -0.00 0.23 -0.15 -0.63 0.00 0.00 0.00 175.10 174.55 3h88 s ILE 122 N -0.43 1.29 -0.12 2.22 1.01 -0.21 -0.86 121.20 124.11 3h88 s ILE 122 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 3h88 s ILE 122 Cb -0.06 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3h88 s ILE 122 CO -0.00 0.38 -0.09 -0.76 0.00 0.00 0.00 174.94 174.46 3h88 s LEU 123 N 0.10 2.97 0.03 2.97 1.43 -0.33 -1.39 118.68 124.46 3h88 s LEU 123 Ca -0.04 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 3h88 s LEU 123 Cb -0.11 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3h88 s LEU 123 CO 0.02 0.23 -0.15 -1.83 0.23 0.00 0.00 176.35 174.85 3h88 s GLU 124 N -0.01 1.02 0.00 1.70 -1.05 -0.39 0.39 118.70 120.36 3h88 s GLU 124 Ca -0.02 -0.71 0.24 0.00 -0.15 0.00 0.00 54.97 54.33 3h88 s GLU 124 Cb -0.14 -1.03 0.26 0.00 -0.44 0.00 0.00 34.13 32.78 3h88 s GLU 124 CO 0.03 0.26 1.30 2.89 0.95 0.00 0.00 175.26 180.69