#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 2.45 -0.43 0.00 1.01 -1.26 -4.75 121.20 118.22 3h88 s ILE 2 Ca 0.00 -0.84 0.22 0.00 0.00 0.00 0.00 60.65 60.04 3h88 s ILE 2 Cb 0.00 -2.03 -0.16 0.00 0.01 0.00 0.00 42.46 40.28 3h88 s ILE 2 CO 0.00 0.52 0.88 1.33 0.00 0.00 0.00 174.94 177.67 3h88 n VAL 3 N 4.21 0.19 -3.54 2.92 0.24 0.44 -4.93 118.33 117.86 3h88 n VAL 3 Ca -0.20 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 61.66 3h88 n VAL 3 Cb 0.51 0.13 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 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 -3.94 -0.38 -0.02 7.63 0.00 -1.16 -4.96 107.32 104.48 3h88 s GLY 4 Ca 0.00 1.50 0.01 0.00 0.00 0.00 0.00 44.72 46.23 3h88 s GLY 4 CO 0.83 0.69 -0.03 -2.27 0.00 0.00 0.00 173.10 172.32 3h88 s LEU 5 N -1.77 1.54 0.01 0.66 2.96 -1.26 -1.39 118.68 119.44 3h88 s LEU 5 Ca 0.01 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3h88 s LEU 5 Cb -0.01 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.37 3h88 s LEU 5 CO -0.03 -0.02 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.13 3h88 s GLY 6 N 0.55 0.16 0.05 7.98 0.00 -0.28 -3.55 107.32 112.23 3h88 s GLY 6 Ca -0.06 -0.39 -0.07 0.00 0.00 0.00 0.00 44.72 44.20 3h88 s GLY 6 CO -0.01 -0.44 0.13 -1.08 0.00 0.00 0.00 173.10 171.71 3h88 s THR 7 N -1.01 0.13 -0.20 0.90 -1.32 -1.26 -1.11 115.64 111.77 3h88 s THR 7 Ca -0.11 -1.09 -0.27 0.00 -1.21 0.00 0.00 61.69 59.01 3h88 s THR 7 Cb -0.07 -1.01 0.09 0.00 -1.51 0.00 0.00 72.50 69.99 3h88 s THR 7 CO -0.01 -0.60 0.79 -0.62 -2.21 0.00 0.00 174.62 171.98 3h88 s ASP 8 N -2.28 -0.63 -0.03 8.08 2.15 -0.44 -4.54 116.67 118.97 3h88 s ASP 8 Ca -0.03 1.04 0.06 0.00 0.43 0.00 0.00 52.55 54.05 3h88 s ASP 8 Cb 0.00 0.99 -0.01 0.00 -0.30 0.00 0.00 42.92 43.60 3h88 s ASP 8 CO -0.06 -0.34 -0.20 -0.51 -0.17 0.00 0.00 175.17 173.89 3h88 s ILE 9 N -0.23 1.63 -0.03 4.11 2.07 -1.26 -1.56 121.20 125.92 3h88 s ILE 9 Ca -0.03 -0.86 0.03 0.00 -1.41 0.00 0.00 60.65 58.39 3h88 s ILE 9 Cb -0.03 -1.37 0.00 0.00 0.13 0.00 0.00 42.46 41.18 3h88 s ILE 9 CO 0.02 0.46 -0.13 0.00 -1.91 0.00 0.00 174.94 173.39 3h88 s ALA 10 N -0.25 1.18 -0.22 1.50 0.00 0.25 -4.99 121.76 119.22 3h88 s ALA 10 Ca 0.02 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 3h88 s ALA 10 Cb -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3h88 s ALA 10 CO 0.01 0.20 0.97 -2.00 0.00 0.00 0.00 175.76 174.95 3h88 s GLU 11 N 0.12 4.26 0.20 0.00 2.12 -1.26 -1.33 118.70 122.81 3h88 s GLU 11 Ca -0.03 1.24 -0.07 0.00 0.36 0.00 0.00 54.97 56.47 3h88 s GLU 11 Cb -0.10 -3.63 0.13 0.00 0.26 0.00 0.00 34.13 30.79 3h88 s GLU 11 CO 0.01 -0.56 1.64 0.82 -0.54 0.00 0.00 175.26 176.63 3h88 h ILE 12 N 5.40 1.26 -0.52 -3.70 2.04 -1.35 -2.49 117.51 118.16 3h88 h ILE 12 Ca -0.21 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.45 3h88 h ILE 12 Cb 1.08 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3h88 h ILE 12 CO 0.94 0.43 0.35 -0.08 0.00 0.00 0.00 178.15 179.78 3h88 h GLU 13 N 0.84 0.62 -0.44 2.37 4.81 -1.92 -0.96 114.58 119.91 3h88 h GLU 13 Ca 0.14 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3h88 h GLU 13 Cb 0.63 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3h88 h GLU 13 CO 0.04 0.41 0.02 0.00 -0.73 0.00 0.00 179.01 178.76 3h88 h ARG 14 N 0.64 0.70 -0.38 1.92 3.08 -1.83 -0.22 114.38 118.29 3h88 h ARG 14 Ca 0.20 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3h88 h ARG 14 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3h88 h ARG 14 CO -0.05 0.69 -0.19 0.28 -1.07 0.00 0.00 179.97 179.64 3h88 h VAL 15 N 0.66 1.28 -0.60 2.04 2.07 -1.23 -1.97 116.25 118.51 3h88 h VAL 15 Ca 0.14 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 3h88 h VAL 15 Cb 0.37 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3h88 h VAL 15 CO 0.01 0.44 0.02 -0.33 0.02 0.00 0.00 177.57 177.73 3h88 h GLU 16 N 0.59 1.04 -0.56 1.57 5.08 -0.87 -0.62 114.58 120.81 3h88 h GLU 16 Ca 0.08 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3h88 h GLU 16 Cb 0.74 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3h88 h GLU 16 CO 0.06 1.00 0.20 0.87 -1.00 0.00 0.00 179.01 180.13 3h88 h LYS 17 N 0.96 0.86 -0.70 2.33 1.57 -0.97 -1.26 116.57 119.36 3h88 h LYS 17 Ca 0.18 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3h88 h LYS 17 Cb 0.52 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3h88 h LYS 17 CO 0.03 0.77 0.24 0.00 -0.57 0.00 0.00 179.45 179.91 3h88 h ALA 18 N 1.05 0.91 -0.60 3.86 0.00 -0.96 -2.39 119.26 121.13 3h88 h ALA 18 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 18 Cb 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h88 h ALA 18 CO -0.01 0.57 0.24 -0.07 0.00 0.00 0.00 179.25 179.98 3h88 h LEU 19 N 1.01 0.83 -2.05 0.00 3.38 -0.88 0.18 115.31 117.78 3h88 h LEU 19 Ca 0.23 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3h88 h LEU 19 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3h88 h LEU 19 CO -0.01 0.77 0.23 0.00 0.09 0.00 0.00 178.44 179.52 3h88 h ALA 20 N 1.09 2.19 0.05 1.53 0.00 -0.96 0.54 119.26 123.70 3h88 h ALA 20 Ca 0.20 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.75 3h88 h ALA 20 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3h88 h ALA 20 CO -0.02 -0.38 -1.95 0.54 0.00 0.00 0.00 179.25 177.45 3h88 n ARG 21 N -4.29 0.66 -0.00 0.00 1.74 -0.92 -4.74 116.66 109.10 3h88 n ARG 21 Ca 0.04 0.34 0.01 0.00 -0.77 0.00 0.00 57.85 57.47 3h88 n ARG 21 Cb 0.39 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 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 -3.83 0.31 0.00 0.55 7.64 0.59 -5.07 113.62 113.81 3h88 n SER 22 Ca -0.38 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 58.98 3h88 n SER 22 Cb 0.91 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 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 1.11 3.41 0.27 0.23 0.00 0.18 -2.07 105.19 108.32 3h88 n GLY 23 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.35 -0.79 1.61 4.39 -1.96 -1.09 114.58 117.09 3h88 h GLU 24 Ca 0.00 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.71 3h88 h GLU 24 Cb 0.00 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 3h88 h GLU 24 CO 0.00 0.34 0.48 -0.91 -1.16 0.00 0.00 179.01 177.77 3h88 h ASN 25 N 0.35 0.76 0.14 1.42 2.35 -1.84 0.28 115.58 119.04 3h88 h ASN 25 Ca 0.08 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3h88 h ASN 25 Cb 0.17 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3h88 h ASN 25 CO -0.00 0.50 -0.07 0.15 -1.65 0.00 0.00 177.43 176.36 3h88 h PHE 26 N 0.90 -0.17 -0.75 1.19 3.57 -1.33 -3.13 116.94 117.22 3h88 h PHE 26 Ca 0.34 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.91 3h88 h PHE 26 Cb 0.14 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 3h88 h PHE 26 CO -0.04 0.28 0.43 0.00 -2.23 0.00 0.00 178.31 176.75 3h88 h ALA 27 N -0.09 1.03 0.00 2.41 0.00 -1.04 -1.56 119.26 120.01 3h88 h ALA 27 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 27 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h88 h ALA 27 CO 0.03 0.12 0.00 0.07 0.00 0.00 0.00 179.25 179.47 3h88 h ARG 28 N 0.78 0.00 -0.31 0.00 0.11 -0.55 -0.43 114.38 113.98 3h88 h ARG 28 Ca 0.34 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.29 3h88 h ARG 28 Cb 0.22 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 3h88 h ARG 28 CO -0.19 0.00 -0.35 -0.09 0.10 0.00 0.00 179.97 179.44 3h88 h ARG 29 N 0.00 0.70 0.10 0.08 2.43 -1.22 -3.34 114.38 113.13 3h88 h ARG 29 Ca 0.00 -0.34 -0.36 0.00 -0.81 0.00 0.00 59.98 58.47 3h88 h ARG 29 Cb 0.44 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3h88 h ARG 29 CO 0.00 0.94 -2.01 -0.89 -1.51 0.00 0.00 179.97 176.50 3h88 n ILE 30 N -4.06 1.73 -3.98 1.20 2.08 -0.87 -4.51 119.36 110.95 3h88 n ILE 30 Ca -0.01 -0.67 -0.34 0.00 0.56 0.00 0.00 62.75 62.28 3h88 n ILE 30 Cb 0.50 -1.59 -0.06 0.00 -0.75 0.00 0.00 39.64 37.74 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 -6.84 4.20 0.80 1.39 1.43 -0.23 -4.46 118.68 114.97 3h88 s LEU 31 Ca -0.21 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 3h88 s LEU 31 Cb 0.07 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 44.02 3h88 s LEU 31 CO 0.76 0.31 1.15 0.42 0.23 0.00 0.00 176.35 179.22 3h88 s THR 32 N -1.19 2.45 0.44 5.49 -4.23 -1.26 -4.66 115.64 112.68 3h88 s THR 32 Ca 0.22 0.15 0.22 0.00 -1.18 0.00 0.00 61.69 61.10 3h88 s THR 32 Cb -0.12 -3.09 0.25 0.00 1.34 0.00 0.00 72.50 70.88 3h88 s THR 32 CO 0.13 -0.19 2.04 0.44 -0.54 0.00 0.00 174.62 176.50 3h88 h ASP 33 N -1.03 0.00 -0.43 3.99 3.45 -1.99 -0.39 116.42 120.02 3h88 h ASP 33 Ca -0.47 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 56.85 3h88 h ASP 33 Cb 1.31 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.07 3h88 h ASP 33 CO 0.64 0.15 -0.30 0.77 -1.57 0.00 0.00 179.24 178.93 3h88 h SER 34 N 0.00 1.00 -0.41 6.45 4.64 -2.02 -2.83 113.55 120.39 3h88 h SER 34 Ca -0.00 -0.43 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 3h88 h SER 34 Cb 0.32 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3h88 h SER 34 CO 0.02 1.22 0.10 -0.33 -0.87 0.00 0.00 176.83 176.97 3h88 h GLU 35 N 0.79 0.72 -0.66 4.77 5.08 -1.77 -2.70 114.58 120.82 3h88 h GLU 35 Ca 0.08 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3h88 h GLU 35 Cb 0.89 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 3h88 h GLU 35 CO 0.08 0.67 0.43 -0.07 -1.00 0.00 0.00 179.01 179.12 3h88 h LEU 36 N 0.70 0.62 -0.31 1.33 3.38 -0.91 0.15 115.31 120.27 3h88 h LEU 36 Ca 0.16 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3h88 h LEU 36 Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3h88 h LEU 36 CO -0.00 0.41 0.20 -0.33 0.09 0.00 0.00 178.44 178.81 3h88 h GLU 37 N 0.71 0.39 -0.25 1.13 5.08 -1.24 0.27 114.58 120.68 3h88 h GLU 37 Ca 0.28 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.46 3h88 h GLU 37 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3h88 h GLU 37 CO -0.08 0.26 -0.46 1.96 -1.00 0.00 0.00 179.01 179.69 3h88 h GLN 38 N 0.40 0.64 -0.37 2.33 4.20 -1.44 -2.48 115.11 118.40 3h88 h GLN 38 Ca 0.11 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.49 3h88 h GLN 38 Cb -0.04 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3h88 h GLN 38 CO -0.03 0.97 0.21 0.35 -0.67 0.00 0.00 178.83 179.65 3h88 h PHE 39 N 0.51 0.39 0.00 2.96 3.57 -0.65 -2.30 116.94 121.42 3h88 h PHE 39 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3h88 h PHE 39 Cb 1.00 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 3h88 h PHE 39 CO 0.05 0.22 -0.16 0.45 -2.23 0.00 0.00 178.31 176.63 3h88 h HIS 40 N 0.42 0.00 0.00 0.41 3.86 -0.34 -0.18 115.15 119.32 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 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3h88 h HIS 40 CO -0.08 0.16 0.00 0.00 0.86 0.00 0.00 177.93 178.87 3h88 h ALA 41 N 1.84 1.00 -2.58 2.45 0.00 -0.97 -3.46 119.26 117.54 3h88 h ALA 41 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3h88 h ALA 41 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.14 3h88 h ALA 41 CO 0.02 0.00 0.43 0.45 0.00 0.00 0.00 179.25 180.16 3h88 s SER 42 N -5.12 6.74 0.00 0.00 0.15 -0.08 -4.94 113.70 110.45 3h88 s SER 42 Ca 0.08 2.12 0.23 0.00 0.70 0.00 0.00 55.95 59.08 3h88 s SER 42 Cb 0.09 -2.59 0.52 0.00 -1.71 0.00 0.00 66.02 62.33 3h88 s SER 42 CO 0.58 -0.50 1.46 0.29 1.20 0.00 0.00 173.24 176.27 3h88 n LYS 43 N 0.06 2.58 -3.19 5.44 5.02 -1.26 -4.49 118.16 122.32 3h88 n LYS 43 Ca 0.04 -2.41 -0.23 0.00 -2.02 0.00 0.00 58.31 53.69 3h88 n LYS 43 Cb 0.49 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 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 1.54 1.47 -0.12 1.97 1.13 -1.26 -4.98 117.38 117.13 3h88 n GLN 44 Ca 0.21 -3.75 -0.02 0.00 -1.94 0.00 0.00 57.00 51.50 3h88 n GLN 44 Cb 0.61 -1.70 0.21 0.00 0.11 0.00 0.00 30.24 29.46 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3h88 h GLN 45 N 3.54 0.81 -0.47 -1.09 4.20 -1.88 -0.83 115.11 119.38 3h88 h GLN 45 Ca 0.11 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3h88 h GLN 45 Cb 0.82 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3h88 h GLN 45 CO 0.59 0.72 0.26 0.78 -0.67 0.00 0.00 178.83 180.51 3h88 h GLY 46 N 0.95 0.70 0.97 3.46 0.00 -1.93 0.78 103.07 108.00 3h88 h GLY 46 Ca 0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3h88 h GLY 46 CO -0.00 0.31 -0.10 3.21 0.00 0.00 0.00 176.54 179.95 3h88 h ARG 47 N 0.62 0.75 -0.20 4.80 3.08 -1.75 -0.58 114.38 121.10 3h88 h ARG 47 Ca 0.17 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 59.97 3h88 h ARG 47 Cb 0.05 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 3h88 h ARG 47 CO -0.03 0.90 -0.12 0.35 -1.07 0.00 0.00 179.97 180.00 3h88 h PHE 48 N 0.56 -0.30 -0.21 3.04 3.57 -0.99 -2.37 116.94 120.23 3h88 h PHE 48 Ca 0.10 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 3h88 h PHE 48 Cb 0.62 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3h88 h PHE 48 CO 0.05 -0.19 -0.49 1.25 -2.23 0.00 0.00 178.31 176.70 3h88 h LEU 49 N -0.11 0.62 -0.82 0.59 5.85 -0.73 -2.79 115.31 117.91 3h88 h LEU 49 Ca 0.11 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3h88 h LEU 49 Cb 0.29 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3h88 h LEU 49 CO -0.27 1.00 0.54 0.00 -0.34 0.00 0.00 178.44 179.37 3h88 h ALA 50 N 1.01 1.06 -0.43 1.25 0.00 -0.91 0.82 119.26 122.06 3h88 h ALA 50 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 50 Cb 1.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3h88 h ALA 50 CO 0.09 0.41 0.17 0.87 0.00 0.00 0.00 179.25 180.80 3h88 h LYS 51 N 1.08 0.65 -0.64 0.00 1.57 -1.24 -1.33 116.57 116.66 3h88 h LYS 51 Ca 0.31 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3h88 h LYS 51 Cb -0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3h88 h LYS 51 CO -0.08 0.60 0.37 0.00 -0.57 0.00 0.00 179.45 179.77 3h88 h ARG 52 N 0.56 0.87 -0.23 3.15 2.47 -1.29 -0.58 114.38 119.34 3h88 h ARG 52 Ca 0.14 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3h88 h ARG 52 Cb 0.20 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3h88 h ARG 52 CO -0.01 0.64 0.15 0.35 0.56 0.00 0.00 179.97 181.65 3h88 h PHE 53 N 0.87 0.30 -0.48 3.04 3.57 -0.72 0.36 116.94 123.87 3h88 h PHE 53 Ca 0.23 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3h88 h PHE 53 Cb 0.00 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3h88 h PHE 53 CO -0.01 0.21 0.27 0.00 -2.23 0.00 0.00 178.31 176.54 3h88 h ALA 54 N 1.06 0.61 -0.39 2.41 0.00 -1.05 -0.39 119.26 121.51 3h88 h ALA 54 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 54 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h88 h ALA 54 CO -0.02 0.12 0.23 0.00 0.00 0.00 0.00 179.25 179.59 3h88 h ALA 55 N 1.11 0.49 -0.37 0.00 0.00 -0.76 -0.18 119.26 119.56 3h88 h ALA 55 Ca 0.17 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 55 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3h88 h ALA 55 CO -0.03 -0.10 -0.38 0.87 0.00 0.00 0.00 179.25 179.62 3h88 h LYS 56 N 0.48 0.87 -0.56 0.00 1.57 -0.75 -0.97 116.57 117.21 3h88 h LYS 56 Ca 0.15 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3h88 h LYS 56 Cb -0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3h88 h LYS 56 CO -0.06 1.10 0.33 0.93 -0.57 0.00 0.00 179.45 181.18 3h88 h GLU 57 N 0.72 0.76 -0.62 3.15 4.39 -0.92 -0.43 114.58 121.62 3h88 h GLU 57 Ca 0.06 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3h88 h GLU 57 Cb 0.95 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 3h88 h GLU 57 CO 0.09 0.55 0.32 0.00 -1.16 0.00 0.00 179.01 178.81 3h88 h ALA 58 N 1.17 0.79 -0.82 3.43 0.00 -0.90 -1.31 119.26 121.63 3h88 h ALA 58 Ca 0.20 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h88 h ALA 58 Cb -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3h88 h ALA 58 CO -0.04 0.33 0.53 0.00 0.00 0.00 0.00 179.25 180.08 3h88 h ALA 59 N 1.15 1.05 -0.06 0.00 0.00 -0.84 -0.84 119.26 119.71 3h88 h ALA 59 Ca 0.22 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3h88 h ALA 59 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3h88 h ALA 59 CO -0.03 0.40 -0.39 0.66 0.00 0.00 0.00 179.25 179.88 3h88 h SER 60 N 1.07 0.13 -0.26 0.00 4.64 -0.74 -1.75 113.55 116.64 3h88 h SER 60 Ca 0.31 -0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.41 3h88 h SER 60 Cb -0.06 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3h88 h SER 60 CO -0.09 0.52 -0.49 0.11 -0.87 0.00 0.00 176.83 176.01 3h88 h LYS 61 N 0.11 0.84 -0.43 4.77 1.57 -0.72 -0.34 116.57 122.38 3h88 h LYS 61 Ca 0.01 -0.50 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3h88 h LYS 61 Cb 0.75 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 3h88 h LYS 61 CO 0.06 1.14 0.29 0.00 -0.57 0.00 0.00 179.45 180.36 3h88 h ALA 62 N 0.77 1.79 0.00 3.86 0.00 -0.81 -1.38 119.26 123.50 3h88 h ALA 62 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 62 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3h88 h ALA 62 CO 0.11 0.17 -0.42 -0.07 0.00 0.00 0.00 179.25 179.04 3h88 h LEU 63 N 0.50 0.00 0.00 0.00 3.38 -1.29 -3.35 115.31 114.54 3h88 h LEU 63 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3h88 h LEU 63 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h88 h LEU 63 CO -0.04 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.51 3h88 n GLY 64 N 0.04 0.88 0.02 0.83 0.00 -0.52 -4.94 105.19 101.51 3h88 n GLY 64 Ca -0.01 0.00 -0.01 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 -2.04 0.32 -4.64 2.61 -2.24 -1.08 -5.03 114.28 102.17 3h88 n THR 65 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3h88 n THR 65 Cb 0.00 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 2.36 -0.99 3.47 3.38 0.00 -0.16 -4.14 105.19 109.10 3h88 n GLY 66 Ca -0.08 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 4.62 -0.12 -0.61 -1.09 -1.26 -4.77 121.20 117.97 3h88 s ILE 67 Ca 0.00 -1.53 -0.34 0.00 -2.23 0.00 0.00 60.65 56.55 3h88 s ILE 67 Cb 0.00 -4.83 0.15 0.00 -1.58 0.00 0.00 42.46 36.19 3h88 s ILE 67 CO 0.00 -1.58 1.42 0.00 -1.23 0.00 0.00 174.94 173.55 3h88 s ALA 68 N 2.97 -2.45 -1.55 9.38 0.00 -1.03 -4.95 121.76 124.13 3h88 s ALA 68 Ca 0.36 1.08 -0.05 0.00 0.00 0.00 0.00 51.96 53.35 3h88 s ALA 68 Cb -0.04 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3h88 s ALA 68 CO -0.09 -0.99 0.52 1.04 0.00 0.00 0.00 175.76 176.25 3h88 n GLN 69 N -0.43 -4.38 -0.86 0.00 1.13 -1.26 -1.44 117.38 110.14 3h88 n GLN 69 Ca -0.08 0.87 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 3h88 n GLN 69 Cb 0.63 -5.70 0.00 0.00 0.11 0.00 0.00 30.24 25.28 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 -1.42 1.20 3.70 1.08 0.00 -1.26 -5.02 105.19 103.45 3h88 n GLY 70 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.76 4.93 0.39 1.61 1.01 -0.52 -4.52 120.40 119.53 3h88 s VAL 71 Ca 0.00 1.69 0.08 0.00 0.00 0.00 0.00 61.98 63.75 3h88 s VAL 71 Cb 0.00 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 3h88 s VAL 71 CO 0.00 0.13 0.03 0.42 0.00 0.00 0.00 175.10 175.68 3h88 s THR 72 N 1.45 2.20 0.47 3.92 -4.23 -1.26 -2.46 115.64 115.72 3h88 s THR 72 Ca 0.42 -1.96 0.14 0.00 -1.18 0.00 0.00 61.69 59.10 3h88 s THR 72 Cb -0.18 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 70.97 3h88 s THR 72 CO 0.18 -0.06 2.06 -0.26 -0.54 0.00 0.00 174.62 176.00 3h88 h PHE 73 N 1.74 0.08 0.00 3.99 0.04 -1.87 -1.25 116.94 119.67 3h88 h PHE 73 Ca -0.43 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3h88 h PHE 73 Cb 1.25 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3h88 h PHE 73 CO 0.71 0.14 0.00 0.72 -0.60 0.00 0.00 178.31 179.28 3h88 n HIS 74 N -4.43 0.15 0.71 -0.55 8.25 -1.26 -2.41 115.22 115.68 3h88 n HIS 74 Ca -0.02 0.06 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 3h88 n HIS 74 Cb 0.16 -0.59 0.40 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.64 0.00 -4.22 0.41 8.00 -0.47 -4.71 116.55 113.92 3h88 n ASP 75 Ca 0.03 0.29 -0.30 0.00 0.71 0.00 0.00 54.79 55.52 3h88 n ASP 75 Cb 0.19 -0.40 -0.17 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.81 2.31 -0.08 1.24 0.08 -1.01 -0.50 117.98 117.22 3h88 s PHE 76 Ca 0.12 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.42 3h88 s PHE 76 Cb 0.12 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 3h88 s PHE 76 CO 0.30 -0.28 -0.16 0.99 -0.10 0.00 0.00 175.22 175.97 3h88 s THR 77 N 0.06 1.47 -0.20 0.64 2.01 -0.29 -4.75 115.64 114.58 3h88 s THR 77 Ca -0.09 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 3h88 s THR 77 Cb -0.15 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 3h88 s THR 77 CO 0.05 0.43 0.12 -0.63 -0.69 0.00 0.00 174.62 173.90 3h88 s ILE 78 N 0.61 5.27 0.01 1.82 1.09 -1.26 -1.32 121.20 127.42 3h88 s ILE 78 Ca -0.15 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 3h88 s ILE 78 Cb -0.16 -3.40 -0.00 0.00 -1.06 0.00 0.00 42.46 37.83 3h88 s ILE 78 CO 0.05 0.43 0.00 -1.54 -0.10 0.00 0.00 174.94 173.78 3h88 n SER 79 N 3.62 0.86 -3.86 3.58 3.41 -0.11 -4.92 113.62 116.20 3h88 n SER 79 Ca -0.16 -1.05 -0.12 0.00 -0.26 0.00 0.00 58.87 57.29 3h88 n SER 79 Cb 0.52 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.61 -0.03 0.66 7.33 3.76 -1.26 -0.36 115.29 123.79 3h88 s HIS 80 Ca 0.00 0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 54.87 3h88 s HIS 80 Cb 0.00 -0.01 0.15 0.00 1.11 0.00 0.00 32.58 33.83 3h88 s HIS 80 CO 0.00 -0.17 0.90 -0.40 -0.85 0.00 0.00 174.74 174.22 3h88 n ASP 81 N 2.22 0.14 0.23 1.40 5.68 -0.49 -4.90 116.55 120.83 3h88 n ASP 81 Ca -0.18 -1.37 0.08 0.00 -0.50 0.00 0.00 54.79 52.82 3h88 n ASP 81 Cb 0.57 -0.68 0.54 0.00 -1.14 0.00 0.00 41.12 40.41 3h88 n ASP 81 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3h88 h LYS 82 N 0.00 0.00 -0.01 0.11 3.64 -2.02 -1.49 116.57 116.79 3h88 h LYS 82 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3h88 h LYS 82 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3h88 h LYS 82 CO 0.21 0.22 -0.08 1.28 -2.27 0.00 0.00 179.45 178.82 3h88 n LEU 83 N -3.88 1.46 0.00 5.20 4.77 -1.26 -4.95 117.00 118.35 3h88 n LEU 83 Ca -0.02 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3h88 n LEU 83 Cb 0.31 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3h88 n LEU 83 CO 0.34 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3h88 n GLY 84 N 1.23 0.31 3.74 -0.72 0.00 -0.56 -5.06 105.19 104.14 3h88 n GLY 84 Ca 0.17 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 -0.96 4.33 0.37 1.61 2.20 -1.26 -4.74 119.74 121.29 3h88 s LYS 85 Ca 0.00 2.17 -0.24 0.00 -0.36 0.00 0.00 55.97 57.55 3h88 s LYS 85 Cb 0.00 -3.15 -0.10 0.00 -1.51 0.00 0.00 37.83 33.07 3h88 s LYS 85 CO 0.00 -0.33 0.94 -1.25 -0.36 0.00 0.00 175.35 174.35 3h88 s PRO 86 N -0.30 4.42 -0.02 4.03 0.04 -1.26 -1.39 135.00 140.51 3h88 s PRO 86 Ca 0.58 1.22 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3h88 s PRO 86 Cb -0.39 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 3h88 s PRO 86 CO 0.41 0.14 -0.19 -0.51 0.04 0.00 0.00 177.00 176.89 3h88 s LEU 87 N -2.56 2.01 -0.22 -3.56 1.43 0.51 -4.62 118.68 111.67 3h88 s LEU 87 Ca 0.55 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 3h88 s LEU 87 Cb -0.14 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3h88 s LEU 87 CO 0.19 0.22 -0.02 -0.22 0.23 0.00 0.00 176.35 176.75 3h88 s LEU 88 N -0.31 3.02 -0.14 1.79 2.96 -1.26 -0.93 118.68 123.80 3h88 s LEU 88 Ca 0.04 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3h88 s LEU 88 Cb -0.09 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3h88 s LEU 88 CO 0.00 -0.01 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.34 3h88 s ILE 89 N 1.45 3.83 0.15 6.68 1.09 -0.43 -4.93 121.20 129.03 3h88 s ILE 89 Ca 0.05 -0.39 -0.05 0.00 -1.10 0.00 0.00 60.65 59.17 3h88 s ILE 89 Cb -0.14 -2.66 -0.06 0.00 -1.06 0.00 0.00 42.46 38.54 3h88 s ILE 89 CO -0.01 0.51 0.39 -0.76 -0.10 0.00 0.00 174.94 174.96 3h88 s LEU 90 N 0.19 4.26 0.00 2.97 1.43 -1.26 -1.14 118.68 125.13 3h88 s LEU 90 Ca -0.02 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3h88 s LEU 90 Cb -0.14 -3.32 -0.00 0.00 0.03 0.00 0.00 46.19 42.75 3h88 s LEU 90 CO 0.03 0.04 0.41 -1.54 0.23 0.00 0.00 176.35 175.52 3h88 n SER 91 N 0.02 -1.13 0.00 2.29 3.41 0.35 -4.72 113.62 113.83 3h88 n SER 91 Ca -0.02 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 3h88 n SER 91 Cb 0.52 2.21 0.00 0.00 -0.26 0.00 0.00 64.21 66.68 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 -0.57 1.37 0.28 5.00 0.00 -1.26 -1.75 105.19 108.26 3h88 n GLY 92 Ca 0.03 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 0.30 -0.71 1.61 5.75 -1.94 -1.92 115.11 118.20 3h88 h GLN 93 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3h88 h GLN 93 Cb 0.00 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 3h88 h GLN 93 CO 0.00 0.25 0.38 0.00 -2.65 0.00 0.00 178.83 176.81 3h88 h ALA 94 N 1.80 0.92 -0.50 3.38 0.00 -1.80 -0.07 119.26 122.98 3h88 h ALA 94 Ca 0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3h88 h ALA 94 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3h88 h ALA 94 CO -0.01 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 179.59 3h88 h ALA 95 N 1.19 0.89 -0.32 0.00 0.00 -0.59 -0.43 119.26 120.00 3h88 h ALA 95 Ca 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 95 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h88 h ALA 95 CO -0.04 0.64 0.12 0.93 0.00 0.00 0.00 179.25 180.90 3h88 h GLU 96 N 0.83 0.50 -0.69 0.00 5.08 -0.91 -0.84 114.58 118.53 3h88 h GLU 96 Ca 0.14 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3h88 h GLU 96 Cb 0.61 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3h88 h GLU 96 CO 0.04 0.52 0.38 -0.07 -1.00 0.00 0.00 179.01 178.88 3h88 h LEU 97 N 0.37 0.86 -0.90 1.33 3.38 -0.83 -1.70 115.31 117.83 3h88 h LEU 97 Ca 0.11 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3h88 h LEU 97 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h88 h LEU 97 CO -0.01 0.71 0.08 0.00 0.09 0.00 0.00 178.44 179.31 3h88 h ALA 98 N 1.19 1.09 -0.26 1.53 0.00 -0.86 -0.90 119.26 121.06 3h88 h ALA 98 Ca 0.24 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 98 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h88 h ALA 98 CO -0.04 0.59 -0.02 1.03 0.00 0.00 0.00 179.25 180.81 3h88 h SER 99 N 0.85 0.48 -0.96 0.00 0.87 -0.88 0.19 113.55 114.09 3h88 h SER 99 Ca 0.18 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3h88 h SER 99 Cb 0.39 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 3h88 h SER 99 CO 0.01 0.69 0.63 1.56 -0.53 0.00 0.00 176.83 179.19 3h88 h GLN 100 N 0.25 1.16 0.00 2.24 4.20 -0.84 -0.03 115.11 122.09 3h88 h GLN 100 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h88 h GLN 100 Cb 0.46 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3h88 h GLN 100 CO 0.02 0.77 0.00 1.28 -0.67 0.00 0.00 178.83 180.23 3h88 n LEU 101 N -4.45 0.00 -3.07 1.46 4.77 -0.38 -4.90 117.00 110.42 3h88 n LEU 101 Ca 0.13 0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 56.00 3h88 n LEU 101 Cb 0.11 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3h88 n LEU 101 CO 0.34 -0.02 0.13 0.00 -1.33 0.00 0.00 177.39 176.51 3h88 n GLN 102 N -1.10 -6.07 -2.10 3.23 6.02 -0.02 -4.89 117.38 112.44 3h88 n GLN 102 Ca 0.17 0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 57.52 3h88 n GLN 102 Cb 0.12 -5.55 -0.03 0.00 1.02 0.00 0.00 30.24 25.80 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 -3.22 3.22 -0.01 5.09 1.01 0.55 -4.45 120.40 122.59 3h88 s VAL 103 Ca 0.42 0.82 0.05 0.00 0.00 0.00 0.00 61.98 63.28 3h88 s VAL 103 Cb -0.19 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 3h88 s VAL 103 CO 0.52 0.04 0.12 -0.62 0.00 0.00 0.00 175.10 175.16 3h88 n GLU 104 N 4.44 0.26 -3.76 2.72 1.02 -0.07 -4.82 120.64 120.42 3h88 n GLU 104 Ca 0.13 -0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 3h88 n GLU 104 Cb 0.42 -1.13 -0.15 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.66 0.01 -0.11 1.62 -0.87 -0.87 -5.02 114.94 107.04 3h88 s ASN 105 Ca -0.02 0.12 0.01 0.00 -1.57 0.00 0.00 52.86 51.41 3h88 s ASN 105 Cb 0.03 0.01 -0.02 0.00 -0.02 0.00 0.00 41.25 41.26 3h88 s ASN 105 CO 0.23 -0.14 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.84 3h88 s ILE 106 N 1.11 2.92 -0.05 0.60 1.01 -1.26 -0.26 121.20 125.27 3h88 s ILE 106 Ca -0.09 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.87 3h88 s ILE 106 Cb -0.13 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 3h88 s ILE 106 CO -0.04 0.54 -0.17 -1.00 0.00 0.00 0.00 174.94 174.28 3h88 s HIS 107 N 0.08 1.69 -0.01 3.97 3.76 0.17 -4.81 115.29 120.15 3h88 s HIS 107 Ca -0.06 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.38 3h88 s HIS 107 Cb -0.15 -1.15 -0.01 0.00 1.11 0.00 0.00 32.58 32.39 3h88 s HIS 107 CO 0.05 -0.18 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.49 3h88 s LEU 108 N 0.09 1.97 0.04 0.89 2.96 -1.26 -0.70 118.68 122.67 3h88 s LEU 108 Ca -0.05 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3h88 s LEU 108 Cb -0.12 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3h88 s LEU 108 CO 0.02 0.11 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.52 3h88 s SER 109 N -0.15 1.10 0.06 3.68 0.15 -0.66 -4.66 113.70 113.22 3h88 s SER 109 Ca 0.02 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.24 3h88 s SER 109 Cb -0.05 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 3h88 s SER 109 CO -0.00 -0.10 -0.13 -0.63 1.20 0.00 0.00 173.24 173.58 3h88 s ILE 110 N -1.08 0.99 -0.03 6.45 1.01 -1.26 -2.03 121.20 125.25 3h88 s ILE 110 Ca -0.05 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 3h88 s ILE 110 Cb -0.08 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.44 3h88 s ILE 110 CO 0.01 -0.24 0.30 -0.55 0.00 0.00 0.00 174.94 174.46 3h88 s SER 111 N -1.65 -0.20 0.04 3.58 0.15 -1.26 -5.00 113.70 109.35 3h88 s SER 111 Ca -0.03 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.79 3h88 s SER 111 Cb -0.10 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 3h88 s SER 111 CO 0.02 -0.38 -0.04 1.51 1.20 0.00 0.00 173.24 175.55 3h88 s ASP 112 N -1.06 0.47 0.00 5.45 -4.77 -1.26 -4.43 116.67 111.07 3h88 s ASP 112 Ca -0.11 -0.68 0.00 0.00 -3.30 0.00 0.00 52.55 48.46 3h88 s ASP 112 Cb -0.05 0.12 0.00 0.00 -1.09 0.00 0.00 42.92 41.90 3h88 s ASP 112 CO 0.03 -0.38 0.00 -0.62 0.70 0.00 0.00 175.17 174.91 3h88 n GLU 113 N 1.07 3.81 -0.19 2.11 -0.58 -0.01 -5.00 120.64 121.86 3h88 n GLU 113 Ca -0.20 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.46 3h88 n GLU 113 Cb 0.57 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.46 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 0.76 0.00 3.49 2.43 -2.04 -3.33 114.38 115.69 3h88 h ARG 114 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3h88 h ARG 114 Cb 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3h88 h ARG 114 CO 0.00 0.62 -1.36 0.72 -1.51 0.00 0.00 179.97 178.44 3h88 n HIS 115 N -4.59 0.00 -4.42 2.20 8.25 -1.26 -4.90 115.22 110.50 3h88 n HIS 115 Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 3h88 n HIS 115 Cb 0.11 -0.22 -0.14 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.70 1.16 0.51 4.41 2.02 -1.25 -0.88 117.35 120.63 3h88 s TYR 116 Ca -0.03 -0.30 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 3h88 s TYR 116 Cb 0.08 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 3h88 s TYR 116 CO 0.50 0.01 0.28 0.00 -1.57 0.00 0.00 175.55 174.77 3h88 s ALA 117 N -0.66 4.22 -0.26 3.71 0.00 -0.44 -0.83 121.76 127.51 3h88 s ALA 117 Ca 0.02 -1.20 -0.34 0.00 0.00 0.00 0.00 51.96 50.45 3h88 s ALA 117 Cb -0.07 -0.51 0.17 0.00 0.00 0.00 0.00 23.12 22.70 3h88 s ALA 117 CO 0.01 -0.30 1.32 0.00 0.00 0.00 0.00 175.76 176.79 3h88 s ALA 119 N -2.76 -2.13 -0.00 0.00 0.00 -0.60 -0.59 121.76 115.68 3h88 s ALA 119 Ca 0.29 1.82 0.02 0.00 0.00 0.00 0.00 51.96 54.09 3h88 s ALA 119 Cb -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3h88 s ALA 119 CO 0.17 -0.43 -0.06 0.99 0.00 0.00 0.00 175.76 176.43 3h88 s THR 120 N -1.71 0.50 -0.01 0.00 2.01 -0.86 -1.33 115.64 114.23 3h88 s THR 120 Ca 0.10 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.84 3h88 s THR 120 Cb -0.01 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 3h88 s THR 120 CO -0.05 0.12 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.17 3h88 s VAL 121 N -0.20 1.12 -0.07 3.82 1.01 -0.26 -1.65 120.40 124.17 3h88 s VAL 121 Ca 0.02 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3h88 s VAL 121 Cb -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3h88 s VAL 121 CO -0.00 0.32 -0.16 -0.63 0.00 0.00 0.00 175.10 174.63 3h88 s ILE 122 N -0.34 1.37 -0.17 2.22 1.01 0.12 -1.13 121.20 124.29 3h88 s ILE 122 Ca 0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 3h88 s ILE 122 Cb -0.05 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3h88 s ILE 122 CO -0.01 0.41 0.09 -0.76 0.00 0.00 0.00 174.94 174.67 3h88 s LEU 123 N 0.44 4.03 0.12 2.97 1.43 -0.48 -0.65 118.68 126.54 3h88 s LEU 123 Ca -0.13 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 3h88 s LEU 123 Cb -0.15 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3h88 s LEU 123 CO 0.04 0.22 -0.16 -1.83 0.23 0.00 0.00 176.35 174.85 3h88 s GLU 124 N 0.09 1.07 0.00 1.70 -1.05 0.64 -0.42 118.70 120.73 3h88 s GLU 124 Ca 0.07 -1.23 0.02 0.00 -0.15 0.00 0.00 54.97 53.69 3h88 s GLU 124 Cb -0.12 -1.07 0.02 0.00 -0.44 0.00 0.00 34.13 32.52 3h88 s GLU 124 CO -0.00 0.22 0.58 2.89 0.95 0.00 0.00 175.26 179.90