#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 5.35 -0.05 0.00 1.01 -1.26 -4.99 121.20 121.26 3h88 s ILE 2 Ca 0.00 0.31 0.22 0.00 0.00 0.00 0.00 60.65 61.18 3h88 s ILE 2 Cb 0.00 -3.54 -0.34 0.00 0.01 0.00 0.00 42.46 38.59 3h88 s ILE 2 CO 0.00 0.38 0.49 0.52 0.00 0.00 0.00 174.94 176.33 3h88 n VAL 3 N 3.90 0.00 -3.58 2.92 0.31 -0.09 -4.94 118.33 116.86 3h88 n VAL 3 Ca -0.14 -0.49 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 3h88 n VAL 3 Cb 0.52 0.01 -0.05 0.00 -0.91 0.00 0.00 33.84 33.42 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3h88 s GLY 4 N -4.50 -0.25 -0.02 2.92 0.00 -1.13 -4.96 107.32 99.39 3h88 s GLY 4 Ca -0.08 1.99 0.01 0.00 0.00 0.00 0.00 44.72 46.64 3h88 s GLY 4 CO 0.91 0.94 -0.02 -2.27 0.00 0.00 0.00 173.10 172.66 3h88 s LEU 5 N -1.29 1.66 0.01 0.66 2.96 -1.26 -1.15 118.68 120.27 3h88 s LEU 5 Ca 0.01 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3h88 s LEU 5 Cb -0.01 -0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.46 3h88 s LEU 5 CO -0.01 -0.01 0.07 -0.83 -1.32 0.00 0.00 176.35 174.24 3h88 s GLY 6 N 0.38 0.13 0.06 7.98 0.00 -0.32 -3.67 107.32 111.87 3h88 s GLY 6 Ca -0.04 -0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.22 3h88 s GLY 6 CO -0.01 -0.43 0.32 -1.08 0.00 0.00 0.00 173.10 171.90 3h88 s THR 7 N -1.39 0.08 -0.14 0.90 -1.32 -1.26 -0.71 115.64 111.80 3h88 s THR 7 Ca -0.15 -0.68 -0.26 0.00 -1.21 0.00 0.00 61.69 59.38 3h88 s THR 7 Cb -0.08 -0.99 0.06 0.00 -1.51 0.00 0.00 72.50 69.98 3h88 s THR 7 CO 0.00 -0.38 0.65 -0.62 -2.21 0.00 0.00 174.62 172.07 3h88 s ASP 8 N -2.19 -0.65 -0.06 8.08 2.15 -0.68 -4.51 116.67 118.81 3h88 s ASP 8 Ca -0.03 0.97 0.03 0.00 0.43 0.00 0.00 52.55 53.95 3h88 s ASP 8 Cb -0.00 0.91 0.00 0.00 -0.30 0.00 0.00 42.92 43.53 3h88 s ASP 8 CO -0.05 -0.43 -0.15 -0.51 -0.17 0.00 0.00 175.17 173.86 3h88 s ILE 9 N -0.49 1.33 -0.05 4.11 2.07 -1.26 -1.69 121.20 125.21 3h88 s ILE 9 Ca -0.06 -0.62 0.06 0.00 -1.41 0.00 0.00 60.65 58.61 3h88 s ILE 9 Cb -0.02 -1.17 -0.01 0.00 0.13 0.00 0.00 42.46 41.39 3h88 s ILE 9 CO 0.05 0.39 -0.23 0.00 -1.91 0.00 0.00 174.94 173.24 3h88 s ALA 10 N 0.34 2.03 -0.31 1.50 0.00 0.07 -4.98 121.76 120.40 3h88 s ALA 10 Ca -0.10 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 3h88 s ALA 10 Cb -0.14 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.37 3h88 s ALA 10 CO 0.03 0.40 0.92 -2.00 0.00 0.00 0.00 175.76 175.11 3h88 s GLU 11 N -0.17 4.00 0.24 0.00 2.12 -1.26 -1.14 118.70 122.50 3h88 s GLU 11 Ca -0.02 0.79 -0.05 0.00 0.36 0.00 0.00 54.97 56.05 3h88 s GLU 11 Cb -0.13 -3.74 0.35 0.00 0.26 0.00 0.00 34.13 30.88 3h88 s GLU 11 CO 0.03 -0.79 1.85 0.82 -0.54 0.00 0.00 175.26 176.63 3h88 h ILE 12 N 5.66 1.02 -0.18 -3.70 2.04 -1.53 -2.79 117.51 118.04 3h88 h ILE 12 Ca -0.23 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3h88 h ILE 12 Cb 1.08 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3h88 h ILE 12 CO 0.95 0.17 -0.05 -0.08 0.00 0.00 0.00 178.15 179.15 3h88 h GLU 13 N 0.95 0.27 -0.39 2.37 4.81 -1.92 -0.36 114.58 120.31 3h88 h GLU 13 Ca 0.38 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3h88 h GLU 13 Cb 0.21 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3h88 h GLU 13 CO -0.19 0.33 -0.12 0.00 -0.73 0.00 0.00 179.01 178.31 3h88 h ARG 14 N 0.26 0.70 -0.39 1.92 3.08 -1.88 -0.15 114.38 117.91 3h88 h ARG 14 Ca 0.06 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 3h88 h ARG 14 Cb 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3h88 h ARG 14 CO 0.01 0.79 -0.00 0.28 -1.07 0.00 0.00 179.97 179.98 3h88 h VAL 15 N 0.63 1.26 -0.60 2.04 2.07 -1.21 -1.58 116.25 118.87 3h88 h VAL 15 Ca 0.11 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3h88 h VAL 15 Cb 0.57 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3h88 h VAL 15 CO 0.04 0.34 0.38 -0.33 0.02 0.00 0.00 177.57 178.02 3h88 h GLU 16 N 0.51 0.75 -0.67 1.57 5.08 -0.81 -0.73 114.58 120.29 3h88 h GLU 16 Ca 0.11 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3h88 h GLU 16 Cb 0.48 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3h88 h GLU 16 CO 0.02 0.50 0.44 0.87 -1.00 0.00 0.00 179.01 179.83 3h88 h LYS 17 N 0.77 0.86 -0.77 2.33 1.57 -0.92 -1.44 116.57 118.97 3h88 h LYS 17 Ca 0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3h88 h LYS 17 Cb -0.04 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 3h88 h LYS 17 CO -0.07 0.57 0.42 0.00 -0.57 0.00 0.00 179.45 179.80 3h88 h ALA 18 N 1.25 0.99 -0.79 3.86 0.00 -0.86 -2.47 119.26 121.24 3h88 h ALA 18 Ca 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 18 Cb -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 3h88 h ALA 18 CO -0.07 0.51 0.33 -0.07 0.00 0.00 0.00 179.25 179.95 3h88 h LEU 19 N 1.07 1.07 -1.43 0.00 3.38 -0.90 0.22 115.31 118.72 3h88 h LEU 19 Ca 0.27 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3h88 h LEU 19 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3h88 h LEU 19 CO -0.04 0.94 -0.27 0.00 0.09 0.00 0.00 178.44 179.16 3h88 h ALA 20 N 1.17 1.28 0.04 1.53 0.00 -1.06 0.59 119.26 122.81 3h88 h ALA 20 Ca 0.26 -0.24 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 3h88 h ALA 20 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3h88 h ALA 20 CO -0.02 0.33 -1.59 0.54 0.00 0.00 0.00 179.25 178.51 3h88 n ARG 21 N -3.82 0.63 -0.00 0.00 1.74 -0.95 -4.76 116.66 109.50 3h88 n ARG 21 Ca -0.01 0.45 0.03 0.00 -0.77 0.00 0.00 57.85 57.55 3h88 n ARG 21 Cb 0.36 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 3h88 n ARG 21 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h88 n SER 22 N -4.11 0.93 0.00 0.55 7.64 0.74 -5.06 113.62 114.31 3h88 n SER 22 Ca -0.34 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.01 3h88 n SER 22 Cb 0.81 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 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 1.35 3.12 0.37 0.23 0.00 0.20 -1.90 105.19 108.55 3h88 n GLY 23 Ca 0.01 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.58 -0.13 1.61 4.57 -1.95 -0.49 114.58 118.77 3h88 h GLU 24 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3h88 h GLU 24 Cb 0.00 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3h88 h GLU 24 CO 0.00 0.39 0.07 -0.91 -1.18 0.00 0.00 179.01 177.38 3h88 h ASN 25 N 0.60 0.15 0.01 1.04 2.35 -1.81 0.12 115.58 118.05 3h88 h ASN 25 Ca 0.37 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 3h88 h ASN 25 Cb 0.60 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3h88 h ASN 25 CO -0.14 0.13 -0.34 0.15 -1.65 0.00 0.00 177.43 175.58 3h88 h PHE 26 N 0.18 0.02 -0.98 1.19 3.57 -1.15 -3.27 116.94 116.51 3h88 h PHE 26 Ca 0.05 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.67 3h88 h PHE 26 Cb 0.00 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 3h88 h PHE 26 CO 0.00 1.13 0.62 0.00 -2.23 0.00 0.00 178.31 177.83 3h88 h ALA 27 N -0.11 1.62 0.00 2.41 0.00 -1.04 -1.34 119.26 120.80 3h88 h ALA 27 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 27 Cb 1.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3h88 h ALA 27 CO -0.04 0.11 0.00 2.89 0.00 0.00 0.00 179.25 182.21 3h88 n ARG 28 N -4.62 0.13 0.19 0.00 1.85 0.41 -0.94 116.66 113.67 3h88 n ARG 28 Ca 0.19 0.25 0.06 0.00 -1.00 0.00 0.00 57.85 57.35 3h88 n ARG 28 Cb 0.41 -1.69 0.32 0.00 -1.05 0.00 0.00 32.46 30.45 3h88 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3h88 h ARG 29 N 0.00 0.00 0.00 2.89 3.08 -1.29 -3.36 114.38 115.70 3h88 h ARG 29 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 3h88 h ARG 29 Cb 0.45 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 3h88 h ARG 29 CO 0.00 0.37 -2.06 -0.89 -1.07 0.00 0.00 179.97 176.32 3h88 n ILE 30 N -3.49 1.07 -4.05 2.04 5.41 -0.62 -4.61 119.36 115.11 3h88 n ILE 30 Ca 0.00 -0.48 -0.35 0.00 1.00 0.00 0.00 62.75 62.92 3h88 n ILE 30 Cb 0.52 -1.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.38 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 -5.80 4.08 0.87 1.39 1.43 -0.12 -4.51 118.68 116.02 3h88 s LEU 31 Ca -0.20 0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 3h88 s LEU 31 Cb 0.06 -2.19 0.11 0.00 0.03 0.00 0.00 46.19 44.20 3h88 s LEU 31 CO 0.49 0.33 1.11 0.42 0.23 0.00 0.00 176.35 178.93 3h88 s THR 32 N -1.11 2.57 0.38 5.49 -4.23 -1.26 -4.66 115.64 112.81 3h88 s THR 32 Ca 0.20 0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.94 3h88 s THR 32 Cb -0.12 -2.87 0.27 0.00 1.34 0.00 0.00 72.50 71.12 3h88 s THR 32 CO 0.10 -0.24 2.02 0.44 -0.54 0.00 0.00 174.62 176.40 3h88 h ASP 33 N -1.37 0.61 -0.06 3.99 3.45 -1.98 -0.63 116.42 120.44 3h88 h ASP 33 Ca -0.49 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 56.81 3h88 h ASP 33 Cb 1.30 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 3h88 h ASP 33 CO 0.59 0.43 -0.45 -1.28 -1.57 0.00 0.00 179.24 176.97 3h88 h SER 34 N 0.72 0.65 0.90 6.45 0.87 -2.03 -2.61 113.55 118.49 3h88 h SER 34 Ca 0.22 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3h88 h SER 34 Cb -0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3h88 h SER 34 CO -0.05 1.01 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.73 3h88 h GLU 35 N 0.49 0.00 0.00 2.24 5.08 -1.60 -3.10 114.58 117.69 3h88 h GLU 35 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3h88 h GLU 35 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3h88 h GLU 35 CO 0.09 0.20 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.94 3h88 h LEU 36 N 0.00 0.00 -0.10 1.33 3.38 -0.76 -2.09 115.31 117.07 3h88 h LEU 36 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h88 h LEU 36 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3h88 h LEU 36 CO 0.03 0.29 0.04 -0.33 0.09 0.00 0.00 178.44 178.55 3h88 h GLU 37 N 0.00 0.15 -0.54 1.13 5.08 -1.59 0.57 114.58 119.38 3h88 h GLU 37 Ca -0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3h88 h GLU 37 Cb 0.59 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3h88 h GLU 37 CO 0.04 0.27 -0.03 1.96 -1.00 0.00 0.00 179.01 180.25 3h88 h GLN 38 N -0.01 0.95 -0.20 2.33 4.20 -1.66 -2.57 115.11 118.14 3h88 h GLN 38 Ca 0.03 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.49 3h88 h GLN 38 Cb 0.18 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3h88 h GLN 38 CO -0.00 0.96 -0.08 0.35 -0.67 0.00 0.00 178.83 179.39 3h88 h PHE 39 N 0.87 -0.18 -0.16 2.96 3.57 -1.14 -1.42 116.94 121.44 3h88 h PHE 39 Ca 0.16 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3h88 h PHE 39 Cb 0.55 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3h88 h PHE 39 CO 0.03 -0.13 0.11 0.45 -2.23 0.00 0.00 178.31 176.55 3h88 h HIS 40 N -0.04 0.12 0.00 0.41 3.86 -0.81 -0.73 115.15 117.96 3h88 h HIS 40 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3h88 h HIS 40 Cb 0.20 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3h88 h HIS 40 CO -0.24 0.07 -0.03 0.00 0.86 0.00 0.00 177.93 178.59 3h88 h ALA 41 N 1.91 0.98 -2.53 2.45 0.00 -0.92 -3.46 119.26 117.70 3h88 h ALA 41 Ca 0.07 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.49 3h88 h ALA 41 Cb 0.12 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.97 3h88 h ALA 41 CO -0.01 0.00 0.42 0.45 0.00 0.00 0.00 179.25 180.11 3h88 s SER 42 N -4.70 5.98 0.00 0.00 0.15 -0.28 -4.92 113.70 109.92 3h88 s SER 42 Ca 0.10 2.11 0.17 0.00 0.70 0.00 0.00 55.95 59.03 3h88 s SER 42 Cb 0.12 -2.58 0.46 0.00 -1.71 0.00 0.00 66.02 62.31 3h88 s SER 42 CO 0.61 -1.04 1.38 0.29 1.20 0.00 0.00 173.24 175.68 3h88 n LYS 43 N -1.08 2.73 -3.22 5.44 5.02 -1.26 -4.49 118.16 121.29 3h88 n LYS 43 Ca 0.10 -2.32 -0.24 0.00 -2.02 0.00 0.00 58.31 53.83 3h88 n LYS 43 Cb 0.51 -1.42 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 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 1.09 0.64 -0.01 1.97 10.64 -1.26 -5.01 117.38 125.44 3h88 n GLN 44 Ca 0.18 -3.21 -0.07 0.00 -1.83 0.00 0.00 57.00 52.07 3h88 n GLN 44 Cb 0.52 -1.28 0.12 0.00 -0.86 0.00 0.00 30.24 28.74 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 4.23 0.58 -0.36 2.61 4.20 -1.89 -0.65 115.11 123.83 3h88 h GLN 45 Ca 0.10 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3h88 h GLN 45 Cb 0.88 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3h88 h GLN 45 CO 0.45 0.85 0.21 0.78 -0.67 0.00 0.00 178.83 180.45 3h88 h GLY 46 N 1.04 0.53 0.95 3.46 0.00 -1.95 0.10 103.07 107.20 3h88 h GLY 46 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3h88 h GLY 46 CO 0.07 0.22 0.08 3.21 0.00 0.00 0.00 176.54 180.12 3h88 h ARG 47 N 0.46 0.71 -0.15 4.80 3.08 -1.81 0.11 114.38 121.58 3h88 h ARG 47 Ca 0.13 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3h88 h ARG 47 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3h88 h ARG 47 CO -0.02 0.74 -0.11 0.35 -1.07 0.00 0.00 179.97 179.86 3h88 h PHE 48 N 0.57 -0.26 -0.33 3.04 3.57 -0.91 -2.25 116.94 120.37 3h88 h PHE 48 Ca 0.13 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 3h88 h PHE 48 Cb 0.37 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3h88 h PHE 48 CO 0.02 -0.16 -0.32 1.25 -2.23 0.00 0.00 178.31 176.88 3h88 h LEU 49 N -0.11 0.74 -0.82 0.59 5.85 -0.69 -2.37 115.31 118.49 3h88 h LEU 49 Ca 0.09 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3h88 h LEU 49 Cb 0.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3h88 h LEU 49 CO -0.22 1.00 0.37 0.00 -0.34 0.00 0.00 178.44 179.25 3h88 h ALA 50 N 1.04 1.06 -0.64 1.25 0.00 -0.82 0.01 119.26 121.18 3h88 h ALA 50 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3h88 h ALA 50 Cb 0.83 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3h88 h ALA 50 CO 0.07 0.66 0.28 0.87 0.00 0.00 0.00 179.25 181.13 3h88 h LYS 51 N 1.18 0.93 -0.35 0.00 1.57 -1.22 -1.01 116.57 117.67 3h88 h LYS 51 Ca 0.28 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3h88 h LYS 51 Cb 0.16 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3h88 h LYS 51 CO -0.03 0.76 -0.02 0.00 -0.57 0.00 0.00 179.45 179.59 3h88 h ARG 52 N 0.88 0.64 -0.26 3.15 2.47 -1.13 -0.98 114.38 119.14 3h88 h ARG 52 Ca 0.22 -0.22 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 3h88 h ARG 52 Cb 0.16 -0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.36 3h88 h ARG 52 CO -0.02 0.77 -0.16 0.35 0.56 0.00 0.00 179.97 181.47 3h88 h PHE 53 N 0.45 -0.39 -0.65 3.04 3.57 -0.90 -1.18 116.94 120.86 3h88 h PHE 53 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3h88 h PHE 53 Cb 0.49 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3h88 h PHE 53 CO 0.04 -0.23 0.34 0.00 -2.23 0.00 0.00 178.31 176.23 3h88 h ALA 54 N 1.04 0.84 -0.70 2.41 0.00 -0.99 -1.07 119.26 120.79 3h88 h ALA 54 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 54 Cb 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h88 h ALA 54 CO -0.34 0.37 0.32 0.00 0.00 0.00 0.00 179.25 179.60 3h88 h ALA 55 N 1.16 0.90 -0.16 0.00 0.00 -0.92 0.09 119.26 120.33 3h88 h ALA 55 Ca 0.23 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3h88 h ALA 55 Cb 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h88 h ALA 55 CO -0.03 0.48 -0.67 0.87 0.00 0.00 0.00 179.25 179.90 3h88 h LYS 56 N 0.98 0.74 -0.37 0.00 1.57 -1.09 0.28 116.57 118.69 3h88 h LYS 56 Ca 0.24 -0.58 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3h88 h LYS 56 Cb 0.15 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3h88 h LYS 56 CO -0.03 1.20 0.23 0.93 -0.57 0.00 0.00 179.45 181.20 3h88 h GLU 57 N 0.46 0.50 -0.51 3.15 5.08 -1.08 -0.19 114.58 122.00 3h88 h GLU 57 Ca -0.04 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3h88 h GLU 57 Cb 1.30 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 3h88 h GLU 57 CO 0.14 0.38 0.24 0.00 -1.00 0.00 0.00 179.01 178.77 3h88 h ALA 58 N 1.10 0.65 -0.79 3.43 0.00 -0.86 -1.65 119.26 121.14 3h88 h ALA 58 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3h88 h ALA 58 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3h88 h ALA 58 CO -0.03 -0.12 0.34 0.00 0.00 0.00 0.00 179.25 179.45 3h88 h ALA 59 N 1.29 1.12 -0.10 0.00 0.00 -0.61 -1.02 119.26 119.93 3h88 h ALA 59 Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 59 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 59 CO -0.18 0.64 -0.24 0.66 0.00 0.00 0.00 179.25 180.13 3h88 h SER 60 N 1.13 0.16 0.23 0.00 4.64 -0.57 -1.57 113.55 117.56 3h88 h SER 60 Ca 0.27 -0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 3h88 h SER 60 Cb 0.17 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3h88 h SER 60 CO -0.03 0.42 -0.68 0.11 -0.87 0.00 0.00 176.83 175.77 3h88 h LYS 61 N 0.15 0.41 -0.06 4.77 1.57 -0.92 -0.96 116.57 121.54 3h88 h LYS 61 Ca 0.03 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 3h88 h LYS 61 Cb 0.52 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3h88 h LYS 61 CO 0.04 0.95 -0.18 0.00 -0.57 0.00 0.00 179.45 179.68 3h88 h ALA 62 N 0.97 1.59 0.00 3.86 0.00 -0.64 -1.46 119.26 123.58 3h88 h ALA 62 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3h88 h ALA 62 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h88 h ALA 62 CO 0.12 0.30 0.00 -0.07 0.00 0.00 0.00 179.25 179.60 3h88 h LEU 63 N 0.08 0.00 0.00 0.00 3.38 -1.19 -3.35 115.31 114.24 3h88 h LEU 63 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h88 h LEU 63 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3h88 h LEU 63 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3h88 n GLY 64 N 0.34 0.75 0.02 0.83 0.00 -0.55 -4.92 105.19 101.66 3h88 n GLY 64 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.16 0.27 -4.72 2.61 -2.24 -1.06 -5.02 114.28 101.96 3h88 n THR 65 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3h88 n THR 65 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 2.29 -0.63 3.48 3.38 0.00 -0.39 -4.07 105.19 109.25 3h88 n GLY 66 Ca -0.07 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 3h88 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h88 s ILE 67 N 0.00 4.68 0.04 -0.61 -1.09 -1.26 -4.76 121.20 118.20 3h88 s ILE 67 Ca 0.00 -1.93 -0.27 0.00 -2.23 0.00 0.00 60.65 56.22 3h88 s ILE 67 Cb 0.00 -4.91 0.10 0.00 -1.58 0.00 0.00 42.46 36.06 3h88 s ILE 67 CO 0.00 -1.66 1.20 0.00 -1.23 0.00 0.00 174.94 173.25 3h88 s ALA 68 N 2.72 -2.12 -1.44 9.38 0.00 -1.02 -4.95 121.76 124.33 3h88 s ALA 68 Ca 0.41 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 3h88 s ALA 68 Cb -0.02 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.78 3h88 s ALA 68 CO -0.04 -1.09 0.51 1.04 0.00 0.00 0.00 175.76 176.19 3h88 n GLN 69 N -0.67 -4.11 -0.14 0.00 1.13 -1.26 -0.35 117.38 111.97 3h88 n GLN 69 Ca -0.03 0.74 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 3h88 n GLN 69 Cb 0.60 -5.53 0.00 0.00 0.11 0.00 0.00 30.24 25.43 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 -1.34 1.72 3.67 1.08 0.00 -1.26 -5.03 105.19 104.04 3h88 n GLY 70 Ca -0.08 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 -2.80 4.74 0.34 1.61 1.01 0.52 -4.59 120.40 121.23 3h88 s VAL 71 Ca 0.00 2.00 0.09 0.00 0.00 0.00 0.00 61.98 64.08 3h88 s VAL 71 Cb 0.00 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 3h88 s VAL 71 CO 0.00 -0.08 -0.06 0.42 0.00 0.00 0.00 175.10 175.38 3h88 s THR 72 N 2.58 2.41 0.48 3.92 -4.23 -1.26 -2.44 115.64 117.10 3h88 s THR 72 Ca 0.45 -2.12 0.19 0.00 -1.18 0.00 0.00 61.69 59.04 3h88 s THR 72 Cb -0.17 -2.69 0.35 0.00 1.34 0.00 0.00 72.50 71.33 3h88 s THR 72 CO 0.12 -0.21 2.00 -0.26 -0.54 0.00 0.00 174.62 175.73 3h88 h PHE 73 N 1.95 0.20 0.00 3.99 -1.00 -1.88 -0.32 116.94 119.87 3h88 h PHE 73 Ca -0.42 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.36 3h88 h PHE 73 Cb 1.25 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.75 3h88 h PHE 73 CO 0.74 0.09 0.00 0.72 -1.61 0.00 0.00 178.31 178.26 3h88 n HIS 74 N -4.44 0.00 1.27 -0.55 8.25 -1.26 -2.50 115.22 115.99 3h88 n HIS 74 Ca 0.08 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.67 3h88 n HIS 74 Cb 0.45 -0.43 0.66 0.00 1.12 0.00 0.00 29.99 31.79 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 -1.43 0.00 -4.22 0.41 10.43 -0.13 -4.72 116.55 116.89 3h88 n ASP 75 Ca 0.06 -0.19 -0.32 0.00 2.57 0.00 0.00 54.79 56.92 3h88 n ASP 75 Cb 0.20 -0.24 -0.17 0.00 1.84 0.00 0.00 41.12 42.75 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3h88 s PHE 76 N -2.49 2.49 -0.09 1.24 0.40 -1.04 -0.22 117.98 118.28 3h88 s PHE 76 Ca 0.26 -0.97 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 3h88 s PHE 76 Cb 0.17 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 42.05 3h88 s PHE 76 CO 0.38 -0.38 -0.16 0.99 0.70 0.00 0.00 175.22 176.75 3h88 s THR 77 N 0.26 1.49 -0.19 0.64 2.01 0.04 -4.76 115.64 115.14 3h88 s THR 77 Ca -0.16 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 3h88 s THR 77 Cb -0.17 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3h88 s THR 77 CO 0.08 0.44 0.06 -0.63 -0.69 0.00 0.00 174.62 173.87 3h88 s ILE 78 N 0.73 4.71 0.00 1.82 1.09 -1.26 -0.73 121.20 127.55 3h88 s ILE 78 Ca -0.12 -0.06 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 3h88 s ILE 78 Cb -0.16 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.11 3h88 s ILE 78 CO 0.03 0.45 0.00 -1.54 -0.10 0.00 0.00 174.94 173.77 3h88 n SER 79 N 3.69 0.71 -3.90 3.58 3.41 -0.13 -4.94 113.62 116.04 3h88 n SER 79 Ca -0.16 -0.78 -0.11 0.00 -0.26 0.00 0.00 58.87 57.56 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 -1.35 0.07 0.97 7.33 3.76 -1.26 -0.12 115.29 124.69 3h88 s HIS 80 Ca 0.00 -0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.61 3h88 s HIS 80 Cb 0.00 -0.07 0.22 0.00 1.11 0.00 0.00 32.58 33.84 3h88 s HIS 80 CO 0.00 -0.17 1.32 0.16 -0.85 0.00 0.00 174.74 175.20 3h88 s ASP 81 N -0.90 2.96 0.58 1.40 1.47 0.07 -4.92 116.67 117.33 3h88 s ASP 81 Ca -0.10 0.09 0.38 0.00 1.18 0.00 0.00 52.55 54.10 3h88 s ASP 81 Cb -0.06 -0.07 1.80 0.00 -0.34 0.00 0.00 42.92 44.24 3h88 s ASP 81 CO 0.00 -2.81 2.13 0.07 0.68 0.00 0.00 175.17 175.24 3h88 h LYS 82 N -1.65 0.00 -0.02 2.11 2.10 -2.02 -1.37 116.57 115.72 3h88 h LYS 82 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3h88 h LYS 82 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3h88 h LYS 82 CO 0.33 0.00 -0.10 1.28 -2.00 0.00 0.00 179.45 178.96 3h88 n LEU 83 N -3.03 2.08 0.00 7.07 4.77 -1.26 -4.95 117.00 121.68 3h88 n LEU 83 Ca -0.01 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 3h88 n LEU 83 Cb 0.20 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3h88 n LEU 83 CO 0.23 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3h88 n GLY 84 N 1.29 0.60 3.73 -0.72 0.00 -0.52 -5.06 105.19 104.51 3h88 n GLY 84 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.91 4.26 0.39 1.61 2.20 -1.26 -4.74 119.74 121.29 3h88 s LYS 85 Ca 0.00 2.26 -0.24 0.00 -0.36 0.00 0.00 55.97 57.63 3h88 s LYS 85 Cb 0.00 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.06 3h88 s LYS 85 CO 0.00 -0.50 1.04 -1.25 -0.36 0.00 0.00 175.35 174.29 3h88 s PRO 86 N 0.64 4.22 -0.01 4.03 0.04 -1.26 -0.75 135.00 141.91 3h88 s PRO 86 Ca 0.65 1.51 0.04 0.00 0.04 0.00 0.00 61.00 63.24 3h88 s PRO 86 Cb -0.41 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 3h88 s PRO 86 CO 0.35 -0.09 -0.13 -0.51 0.04 0.00 0.00 177.00 176.66 3h88 s LEU 87 N -2.54 2.00 -0.17 -3.56 1.43 0.83 -4.65 118.68 112.03 3h88 s LEU 87 Ca 0.57 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3h88 s LEU 87 Cb -0.22 -0.69 -0.00 0.00 0.03 0.00 0.00 46.19 45.31 3h88 s LEU 87 CO 0.28 0.15 -0.14 -0.22 0.23 0.00 0.00 176.35 176.65 3h88 s LEU 88 N -0.24 2.51 -0.08 1.79 2.96 -1.26 -0.95 118.68 123.40 3h88 s LEU 88 Ca 0.04 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3h88 s LEU 88 Cb -0.06 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 3h88 s LEU 88 CO -0.00 0.06 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.23 3h88 s ILE 89 N 0.96 2.22 0.13 6.68 1.01 0.09 -4.91 121.20 127.38 3h88 s ILE 89 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3h88 s ILE 89 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3h88 s ILE 89 CO -0.02 0.56 0.27 -0.76 0.00 0.00 0.00 174.94 174.99 3h88 s LEU 90 N 0.04 4.34 0.00 2.97 1.43 -1.26 -0.78 118.68 125.42 3h88 s LEU 90 Ca -0.09 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3h88 s LEU 90 Cb -0.15 -2.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.12 3h88 s LEU 90 CO 0.06 0.07 0.42 -1.54 0.23 0.00 0.00 176.35 175.59 3h88 n SER 91 N -0.35 -1.15 0.00 2.29 3.41 0.70 -4.71 113.62 113.81 3h88 n SER 91 Ca -0.06 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 3h88 n SER 91 Cb 0.53 2.24 0.00 0.00 -0.26 0.00 0.00 64.21 66.72 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 -0.58 2.38 0.16 5.00 0.00 -1.26 -1.95 105.19 108.95 3h88 n GLY 92 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.67 1.61 5.75 -1.94 -1.82 115.11 118.04 3h88 h GLN 93 Ca 0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3h88 h GLN 93 Cb 0.00 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3h88 h GLN 93 CO 0.00 0.51 0.44 0.00 -2.65 0.00 0.00 178.83 177.13 3h88 h ALA 94 N 1.49 0.86 -0.26 3.38 0.00 -1.76 -0.68 119.26 122.28 3h88 h ALA 94 Ca -0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3h88 h ALA 94 Cb 0.96 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3h88 h ALA 94 CO 0.07 0.27 -0.42 0.00 0.00 0.00 0.00 179.25 179.16 3h88 h ALA 95 N 1.25 0.76 -0.28 0.00 0.00 -0.73 -0.60 119.26 119.67 3h88 h ALA 95 Ca 0.25 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3h88 h ALA 95 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3h88 h ALA 95 CO -0.06 0.66 0.17 1.49 0.00 0.00 0.00 179.25 181.51 3h88 h GLU 96 N 0.53 0.33 -0.71 0.00 4.57 -1.11 -0.76 114.58 117.43 3h88 h GLU 96 Ca 0.04 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3h88 h GLU 96 Cb 0.95 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 3h88 h GLU 96 CO 0.09 0.22 0.23 -0.07 -1.18 0.00 0.00 179.01 178.30 3h88 h LEU 97 N 0.34 1.02 -1.00 1.64 3.38 -0.87 -2.00 115.31 117.82 3h88 h LEU 97 Ca 0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3h88 h LEU 97 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3h88 h LEU 97 CO -0.05 0.96 0.20 0.00 0.09 0.00 0.00 178.44 179.64 3h88 h ALA 98 N 1.11 1.20 -0.39 1.53 0.00 -0.93 -0.13 119.26 121.65 3h88 h ALA 98 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h88 h ALA 98 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h88 h ALA 98 CO -0.01 0.56 0.22 1.03 0.00 0.00 0.00 179.25 181.06 3h88 h SER 99 N 0.89 0.48 -0.70 0.00 0.87 -0.85 0.32 113.55 114.55 3h88 h SER 99 Ca 0.20 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3h88 h SER 99 Cb 0.24 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 3h88 h SER 99 CO -0.01 0.41 0.46 1.56 -0.53 0.00 0.00 176.83 178.72 3h88 h GLN 100 N 0.50 0.81 0.00 2.24 4.20 -0.88 -1.14 115.11 120.85 3h88 h GLN 100 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3h88 h GLN 100 Cb 0.03 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3h88 h GLN 100 CO -0.02 0.54 0.00 1.28 -0.67 0.00 0.00 178.83 179.95 3h88 n LEU 101 N -4.46 0.00 -2.48 1.46 4.77 -0.11 -4.93 117.00 111.25 3h88 n LEU 101 Ca 0.09 0.26 -0.18 0.00 -0.03 0.00 0.00 56.01 56.14 3h88 n LEU 101 Cb 0.13 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3h88 n LEU 101 CO 0.35 -0.01 -0.02 0.00 -1.33 0.00 0.00 177.39 176.38 3h88 n GLN 102 N -1.26 -3.85 -1.99 3.23 6.02 -0.07 -4.85 117.38 114.60 3h88 n GLN 102 Ca 0.15 0.76 -0.42 0.00 -0.01 0.00 0.00 57.00 57.48 3h88 n GLN 102 Cb 0.22 -5.29 -0.03 0.00 1.02 0.00 0.00 30.24 26.17 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 -3.05 3.30 -0.02 5.09 1.01 -0.21 -4.29 120.40 122.22 3h88 s VAL 103 Ca 0.23 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3h88 s VAL 103 Cb -0.10 -3.41 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 3h88 s VAL 103 CO 0.29 -0.02 0.12 -0.62 0.00 0.00 0.00 175.10 174.87 3h88 n GLU 104 N 6.05 0.49 -3.97 2.72 -0.58 0.32 -4.81 120.64 120.86 3h88 n GLU 104 Ca 0.16 -0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.71 3h88 n GLU 104 Cb 0.42 -1.10 -0.15 0.00 -0.57 0.00 0.00 31.44 30.04 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3h88 s ASN 105 N -2.55 0.27 -0.08 1.62 0.01 -0.83 -5.02 114.94 108.37 3h88 s ASN 105 Ca -0.02 -0.03 0.04 0.00 -0.71 0.00 0.00 52.86 52.14 3h88 s ASN 105 Cb 0.03 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.64 3h88 s ASN 105 CO 0.22 0.00 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.99 3h88 s ILE 106 N 0.14 1.68 -0.02 0.60 1.01 -1.26 -0.64 121.20 122.71 3h88 s ILE 106 Ca -0.01 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3h88 s ILE 106 Cb -0.03 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 3h88 s ILE 106 CO -0.00 0.48 -0.26 -1.00 0.00 0.00 0.00 174.94 174.15 3h88 s HIS 107 N 0.34 2.32 -0.05 3.97 3.76 0.03 -4.81 115.29 120.84 3h88 s HIS 107 Ca -0.14 -0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 3h88 s HIS 107 Cb -0.16 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.06 3h88 s HIS 107 CO 0.06 -0.04 0.12 -1.17 -0.85 0.00 0.00 174.74 172.86 3h88 s LEU 108 N -0.62 1.27 0.03 0.89 2.96 -1.26 -0.65 118.68 121.30 3h88 s LEU 108 Ca 0.10 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 3h88 s LEU 108 Cb -0.10 0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.93 3h88 s LEU 108 CO -0.01 -0.08 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.31 3h88 s SER 109 N 0.47 0.94 0.02 3.68 0.15 -0.39 -4.67 113.70 113.90 3h88 s SER 109 Ca -0.03 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.21 3h88 s SER 109 Cb -0.05 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3h88 s SER 109 CO -0.02 -0.11 -0.09 -0.63 1.20 0.00 0.00 173.24 173.59 3h88 s ILE 110 N -1.02 0.72 -0.04 6.45 1.01 -1.26 -1.24 121.20 125.82 3h88 s ILE 110 Ca -0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3h88 s ILE 110 Cb -0.08 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.73 3h88 s ILE 110 CO 0.00 -0.07 0.22 -0.55 0.00 0.00 0.00 174.94 174.54 3h88 s SER 111 N -0.93 -0.14 0.09 3.58 0.15 -1.26 -5.00 113.70 110.17 3h88 s SER 111 Ca -0.02 0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.82 3h88 s SER 111 Cb -0.07 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 3h88 s SER 111 CO 0.00 -0.25 -0.07 1.51 1.20 0.00 0.00 173.24 175.64 3h88 s ASP 112 N -0.66 1.07 0.00 5.45 -4.77 -1.26 -4.42 116.67 112.09 3h88 s ASP 112 Ca -0.07 -0.91 0.00 0.00 -3.30 0.00 0.00 52.55 48.26 3h88 s ASP 112 Cb -0.04 0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.87 3h88 s ASP 112 CO 0.01 -0.41 0.00 -1.84 0.70 0.00 0.00 175.17 173.63 3h88 n GLU 113 N 0.27 2.32 -0.10 2.11 -0.00 -0.06 -5.00 120.64 120.18 3h88 n GLU 113 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 56.95 3h88 n GLU 113 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 32.04 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 0.30 0.00 3.44 2.43 -2.04 -3.29 114.38 115.23 3h88 h ARG 114 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h88 h ARG 114 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3h88 h ARG 114 CO 0.00 0.20 -1.51 0.72 -1.51 0.00 0.00 179.97 177.86 3h88 n HIS 115 N -4.98 0.00 -4.21 2.20 8.25 -1.26 -4.89 115.22 110.33 3h88 n HIS 115 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3h88 n HIS 115 Cb 0.10 -0.29 -0.14 0.00 1.12 0.00 0.00 29.99 30.79 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 -3.04 0.64 0.50 4.41 1.51 -1.24 -1.27 117.35 118.86 3h88 s TYR 116 Ca -0.03 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3h88 s TYR 116 Cb 0.12 -0.40 -0.00 0.00 -0.11 0.00 0.00 41.96 41.56 3h88 s TYR 116 CO 0.72 -0.02 0.18 0.00 -1.11 0.00 0.00 175.55 175.33 3h88 s ALA 117 N -0.40 4.12 -0.24 3.71 0.00 -0.29 -0.88 121.76 127.79 3h88 s ALA 117 Ca 0.00 -1.05 -0.34 0.00 0.00 0.00 0.00 51.96 50.58 3h88 s ALA 117 Cb -0.04 -0.32 0.16 0.00 0.00 0.00 0.00 23.12 22.92 3h88 s ALA 117 CO -0.00 -0.21 1.27 0.00 0.00 0.00 0.00 175.76 176.82 3h88 s ALA 119 N -2.79 -2.10 0.02 0.00 0.00 -0.68 -0.75 121.76 115.47 3h88 s ALA 119 Ca 0.23 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.97 3h88 s ALA 119 Cb 0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3h88 s ALA 119 CO 0.13 -0.46 -0.10 0.99 0.00 0.00 0.00 175.76 176.33 3h88 s THR 120 N -1.82 0.77 -0.03 0.00 2.01 -0.37 -1.69 115.64 114.52 3h88 s THR 120 Ca 0.09 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.36 3h88 s THR 120 Cb -0.01 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 3h88 s THR 120 CO -0.05 -0.03 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.03 3h88 s VAL 121 N -0.72 1.10 -0.04 3.82 1.01 0.11 -1.27 120.40 124.42 3h88 s VAL 121 Ca -0.01 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3h88 s VAL 121 Cb -0.06 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 3h88 s VAL 121 CO 0.00 0.32 -0.17 -0.63 0.00 0.00 0.00 175.10 174.63 3h88 s ILE 122 N 0.00 1.38 -0.09 2.22 1.01 0.18 -1.17 121.20 124.73 3h88 s ILE 122 Ca -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3h88 s ILE 122 Cb -0.09 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3h88 s ILE 122 CO 0.01 0.40 -0.10 -0.76 0.00 0.00 0.00 174.94 174.48 3h88 s LEU 123 N -0.04 2.92 0.08 2.97 1.43 -0.30 -0.79 118.68 124.94 3h88 s LEU 123 Ca -0.02 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3h88 s LEU 123 Cb -0.10 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3h88 s LEU 123 CO 0.02 0.27 -0.11 -1.83 0.23 0.00 0.00 176.35 174.92 3h88 s GLU 124 N -0.28 0.80 0.00 1.70 -1.05 0.18 -0.91 118.70 119.14 3h88 s GLU 124 Ca 0.03 -1.03 0.08 0.00 -0.15 0.00 0.00 54.97 53.90 3h88 s GLU 124 Cb -0.13 -0.62 0.06 0.00 -0.44 0.00 0.00 34.13 33.01 3h88 s GLU 124 CO 0.03 0.12 0.75 2.89 0.95 0.00 0.00 175.26 179.99