#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 1.60 -0.62 0.00 1.01 -1.26 -4.93 121.20 116.99 3h88 s ILE 2 Ca 0.00 -0.72 0.12 0.00 0.00 0.00 0.00 60.65 60.05 3h88 s ILE 2 Cb 0.00 -1.44 -0.11 0.00 0.01 0.00 0.00 42.46 40.91 3h88 s ILE 2 CO 0.00 0.46 0.53 1.33 0.00 0.00 0.00 174.94 177.26 3h88 n VAL 3 N 4.04 0.00 -3.48 2.92 0.24 0.11 -4.93 118.33 117.23 3h88 n VAL 3 Ca -0.20 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 61.76 3h88 n VAL 3 Cb 0.52 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 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 -2.05 -0.51 -0.01 7.63 0.00 -1.07 -4.96 107.32 106.34 3h88 s GLY 4 Ca 0.05 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3h88 s GLY 4 CO 0.47 0.42 0.00 -2.27 0.00 0.00 0.00 173.10 171.71 3h88 s LEU 5 N -2.29 1.49 0.03 0.66 2.96 -1.26 -1.64 118.68 118.63 3h88 s LEU 5 Ca 0.01 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3h88 s LEU 5 Cb -0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 3h88 s LEU 5 CO -0.07 -0.06 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.02 3h88 s GLY 6 N 0.60 0.32 0.04 7.98 0.00 -0.35 -3.88 107.32 112.03 3h88 s GLY 6 Ca -0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.01 3h88 s GLY 6 CO -0.01 -0.64 0.12 -1.08 0.00 0.00 0.00 173.10 171.48 3h88 s THR 7 N -1.25 0.12 -0.06 0.90 -1.32 -1.26 -0.92 115.64 111.85 3h88 s THR 7 Ca -0.12 -1.03 -0.22 0.00 -1.21 0.00 0.00 61.69 59.11 3h88 s THR 7 Cb -0.09 -0.88 0.05 0.00 -1.51 0.00 0.00 72.50 70.07 3h88 s THR 7 CO -0.00 -0.57 0.50 -0.62 -2.21 0.00 0.00 174.62 171.73 3h88 s ASP 8 N -2.09 -0.45 -0.05 8.08 2.15 -0.43 -4.54 116.67 119.35 3h88 s ASP 8 Ca -0.05 0.51 0.03 0.00 0.43 0.00 0.00 52.55 53.47 3h88 s ASP 8 Cb -0.01 0.53 0.01 0.00 -0.30 0.00 0.00 42.92 43.15 3h88 s ASP 8 CO -0.04 -0.48 -0.12 -0.51 -0.17 0.00 0.00 175.17 173.85 3h88 s ILE 9 N -1.02 1.10 -0.06 4.11 2.07 -1.26 -1.50 121.20 124.64 3h88 s ILE 9 Ca -0.10 -0.49 0.05 0.00 -1.41 0.00 0.00 60.65 58.69 3h88 s ILE 9 Cb -0.03 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 3h88 s ILE 9 CO 0.06 0.34 -0.23 0.00 -1.91 0.00 0.00 174.94 173.20 3h88 s ALA 10 N 0.40 2.01 -0.34 1.50 0.00 0.49 -4.99 121.76 120.83 3h88 s ALA 10 Ca -0.09 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 3h88 s ALA 10 Cb -0.13 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3h88 s ALA 10 CO 0.02 0.36 1.08 -2.00 0.00 0.00 0.00 175.76 175.22 3h88 s GLU 11 N 0.00 4.03 0.17 0.00 2.12 -1.26 -1.13 118.70 122.63 3h88 s GLU 11 Ca -0.07 1.02 -0.12 0.00 0.36 0.00 0.00 54.97 56.16 3h88 s GLU 11 Cb -0.14 -3.76 0.08 0.00 0.26 0.00 0.00 34.13 30.57 3h88 s GLU 11 CO 0.04 -0.96 1.76 0.82 -0.54 0.00 0.00 175.26 176.38 3h88 h ILE 12 N 5.79 1.21 -0.88 -3.70 2.04 -1.49 -2.15 117.51 118.33 3h88 h ILE 12 Ca -0.21 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.13 3h88 h ILE 12 Cb 1.06 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3h88 h ILE 12 CO 1.04 0.25 0.57 -0.08 0.00 0.00 0.00 178.15 179.93 3h88 h GLU 13 N 0.82 0.88 -0.39 2.37 4.81 -1.91 -0.92 114.58 120.23 3h88 h GLU 13 Ca 0.20 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3h88 h GLU 13 Cb 0.13 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3h88 h GLU 13 CO -0.02 0.58 -0.14 0.00 -0.73 0.00 0.00 179.01 178.70 3h88 h ARG 14 N 0.91 0.71 -0.48 1.92 3.08 -1.77 -0.68 114.38 118.06 3h88 h ARG 14 Ca 0.40 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3h88 h ARG 14 Cb 0.35 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3h88 h ARG 14 CO -0.16 0.82 0.23 0.28 -1.07 0.00 0.00 179.97 180.07 3h88 h VAL 15 N 0.64 1.19 -0.51 2.04 2.07 -1.21 -1.78 116.25 118.70 3h88 h VAL 15 Ca 0.11 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3h88 h VAL 15 Cb 0.61 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3h88 h VAL 15 CO 0.04 0.21 0.31 -0.33 0.02 0.00 0.00 177.57 177.82 3h88 h GLU 16 N 0.64 0.60 -0.73 1.57 5.08 -0.97 -0.71 114.58 120.06 3h88 h GLU 16 Ca 0.17 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3h88 h GLU 16 Cb 0.13 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3h88 h GLU 16 CO -0.02 0.40 0.26 0.87 -1.00 0.00 0.00 179.01 179.51 3h88 h LYS 17 N 0.62 1.10 -0.53 2.33 1.57 -1.08 -1.16 116.57 119.42 3h88 h LYS 17 Ca 0.20 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3h88 h LYS 17 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3h88 h LYS 17 CO -0.08 0.92 0.05 0.00 -0.57 0.00 0.00 179.45 179.76 3h88 h ALA 18 N 1.21 0.71 -0.53 3.86 0.00 -0.96 -2.54 119.26 121.01 3h88 h ALA 18 Ca 0.24 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 18 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3h88 h ALA 18 CO -0.01 0.49 0.17 -0.07 0.00 0.00 0.00 179.25 179.82 3h88 h LEU 19 N 0.79 0.72 -1.90 0.00 3.38 -0.68 0.66 115.31 118.27 3h88 h LEU 19 Ca 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h88 h LEU 19 Cb 0.46 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3h88 h LEU 19 CO 0.02 0.68 -0.11 0.00 0.09 0.00 0.00 178.44 179.12 3h88 h ALA 20 N 1.42 1.24 0.01 1.53 0.00 -0.94 0.34 119.26 122.86 3h88 h ALA 20 Ca 0.18 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 3h88 h ALA 20 Cb 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3h88 h ALA 20 CO -0.01 0.14 -1.62 0.54 0.00 0.00 0.00 179.25 178.30 3h88 n ARG 21 N -3.57 0.59 -0.00 0.00 1.74 -0.88 -4.75 116.66 109.78 3h88 n ARG 21 Ca -0.02 0.48 0.02 0.00 -0.77 0.00 0.00 57.85 57.56 3h88 n ARG 21 Cb 0.24 -1.69 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 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 -4.30 1.10 0.00 0.55 7.64 0.17 -5.07 113.62 113.71 3h88 n SER 22 Ca -0.37 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.06 3h88 n SER 22 Cb 0.76 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 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 1.37 3.25 0.31 0.23 0.00 0.11 -2.09 105.19 108.36 3h88 n GLY 23 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 0.28 -0.98 1.61 4.57 -1.96 -0.54 114.58 117.56 3h88 h GLU 24 Ca 0.00 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3h88 h GLU 24 Cb 0.00 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 3h88 h GLU 24 CO 0.00 0.19 0.64 -0.91 -1.18 0.00 0.00 179.01 177.75 3h88 h ASN 25 N 0.29 1.09 0.09 1.04 2.35 -1.85 0.11 115.58 118.70 3h88 h ASN 25 Ca 0.13 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3h88 h ASN 25 Cb 0.15 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3h88 h ASN 25 CO -0.03 0.77 -0.04 0.15 -1.65 0.00 0.00 177.43 176.63 3h88 h PHE 26 N 1.28 -0.11 -0.74 1.19 3.57 -1.32 -3.23 116.94 117.58 3h88 h PHE 26 Ca 0.38 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.96 3h88 h PHE 26 Cb -0.07 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 3h88 h PHE 26 CO -0.00 0.42 0.39 0.00 -2.23 0.00 0.00 178.31 176.89 3h88 h ALA 27 N -0.05 1.02 0.00 2.41 0.00 -0.90 -1.85 119.26 119.89 3h88 h ALA 27 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h88 h ALA 27 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h88 h ALA 27 CO 0.02 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3h88 h ARG 28 N 0.67 0.00 -0.08 0.00 2.47 -0.92 -0.82 114.38 115.71 3h88 h ARG 28 Ca 0.35 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.85 3h88 h ARG 28 Cb 0.34 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3h88 h ARG 28 CO -0.25 0.00 -0.85 -0.09 0.56 0.00 0.00 179.97 179.34 3h88 h ARG 29 N 0.00 0.61 0.11 0.04 2.43 -1.36 -3.34 114.38 112.88 3h88 h ARG 29 Ca 0.00 -0.56 -0.30 0.00 -0.81 0.00 0.00 59.98 58.31 3h88 h ARG 29 Cb 0.66 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3h88 h ARG 29 CO 0.00 1.17 -1.52 0.82 -1.51 0.00 0.00 179.97 178.93 3h88 h ILE 30 N 0.39 1.16 -3.20 1.20 1.08 -1.25 -3.41 117.51 113.48 3h88 h ILE 30 Ca -0.07 -2.81 -0.67 0.00 -0.39 0.00 0.00 64.86 60.92 3h88 h ILE 30 Cb 1.47 2.75 -0.13 0.00 -3.07 0.00 0.00 36.82 37.84 3h88 h ILE 30 CO 0.16 0.81 -0.60 -0.76 -0.69 0.00 0.00 178.15 177.07 3h88 s LEU 31 N -6.94 3.73 1.02 1.44 1.43 -0.36 -4.47 118.68 114.53 3h88 s LEU 31 Ca -0.08 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 3h88 s LEU 31 Cb 0.07 -1.98 0.20 0.00 0.03 0.00 0.00 46.19 44.51 3h88 s LEU 31 CO 0.85 0.34 1.11 0.42 0.23 0.00 0.00 176.35 179.30 3h88 s THR 32 N -1.00 1.94 0.28 5.49 -4.23 -1.26 -4.68 115.64 112.18 3h88 s THR 32 Ca 0.17 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 3h88 s THR 32 Cb -0.12 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.26 3h88 s THR 32 CO 0.06 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.33 3h88 h ASP 33 N -1.95 0.58 -0.40 3.99 3.32 -1.98 -0.69 116.42 119.29 3h88 h ASP 33 Ca -0.52 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.34 3h88 h ASP 33 Cb 1.33 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3h88 h ASP 33 CO 0.54 0.75 0.18 -1.28 -1.72 0.00 0.00 179.24 177.72 3h88 h SER 34 N 0.54 0.53 0.26 6.45 0.87 -2.02 -3.05 113.55 117.13 3h88 h SER 34 Ca 0.09 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 3h88 h SER 34 Cb 0.57 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3h88 h SER 34 CO 0.04 0.52 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.07 3h88 h GLU 35 N 0.50 0.24 -0.42 2.24 5.08 -1.73 -2.75 114.58 117.74 3h88 h GLU 35 Ca 0.13 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3h88 h GLU 35 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3h88 h GLU 35 CO -0.01 0.66 0.28 -0.07 -1.00 0.00 0.00 179.01 178.87 3h88 h LEU 36 N 0.20 0.31 -0.60 1.33 3.38 -1.04 -1.20 115.31 117.68 3h88 h LEU 36 Ca 0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3h88 h LEU 36 Cb 0.89 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3h88 h LEU 36 CO 0.07 0.20 0.19 -0.33 0.09 0.00 0.00 178.44 178.67 3h88 h GLU 37 N 0.35 0.94 -0.35 1.13 5.08 -1.45 0.26 114.58 120.55 3h88 h GLU 37 Ca 0.18 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 3h88 h GLU 37 Cb 0.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3h88 h GLU 37 CO -0.04 0.84 -0.43 1.96 -1.00 0.00 0.00 179.01 180.34 3h88 h GLN 38 N 0.86 0.91 -0.16 2.33 4.20 -1.52 -2.78 115.11 118.95 3h88 h GLN 38 Ca 0.19 -0.51 0.04 0.00 0.06 0.00 0.00 58.65 58.43 3h88 h GLN 38 Cb 0.29 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3h88 h GLN 38 CO -0.01 1.16 -0.07 0.35 -0.67 0.00 0.00 178.83 179.59 3h88 h PHE 39 N 0.72 -0.16 0.00 2.96 3.57 -0.91 -2.40 116.94 120.71 3h88 h PHE 39 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3h88 h PHE 39 Cb 1.03 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 3h88 h PHE 39 CO 0.07 -0.11 -0.05 0.45 -2.23 0.00 0.00 178.31 176.43 3h88 h HIS 40 N -0.05 0.00 0.00 0.41 3.86 -0.42 0.03 115.15 118.99 3h88 h HIS 40 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3h88 h HIS 40 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3h88 h HIS 40 CO -0.21 0.05 -0.12 0.00 0.86 0.00 0.00 177.93 178.51 3h88 n ALA 41 N -2.35 2.41 -1.79 2.45 0.00 -0.95 -4.88 120.51 115.40 3h88 n ALA 41 Ca -0.03 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 3h88 n ALA 41 Cb 0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 3h88 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h88 s SER 42 N -4.46 6.49 0.00 0.00 0.15 -0.01 -4.93 113.70 110.94 3h88 s SER 42 Ca 0.10 1.97 0.19 0.00 0.70 0.00 0.00 55.95 58.91 3h88 s SER 42 Cb 0.13 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.36 3h88 s SER 42 CO 0.62 -0.68 1.41 0.29 1.20 0.00 0.00 173.24 176.08 3h88 n LYS 43 N -0.64 2.66 -3.21 5.44 5.02 -1.26 -4.47 118.16 121.70 3h88 n LYS 43 Ca 0.08 -2.39 -0.23 0.00 -2.02 0.00 0.00 58.31 53.75 3h88 n LYS 43 Cb 0.51 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.27 1.22 0.07 1.97 10.64 -1.26 -4.98 117.38 126.31 3h88 n GLN 44 Ca 0.19 -3.59 -0.00 0.00 -1.83 0.00 0.00 57.00 51.77 3h88 n GLN 44 Cb 0.55 -1.56 0.30 0.00 -0.86 0.00 0.00 30.24 28.67 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h88 h GLN 45 N 3.72 0.35 -0.19 2.61 4.20 -1.89 -1.71 115.11 122.20 3h88 h GLN 45 Ca 0.10 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h88 h GLN 45 Cb 0.84 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3h88 h GLN 45 CO 0.55 0.53 0.09 0.78 -0.67 0.00 0.00 178.83 180.11 3h88 h GLY 46 N 0.92 0.30 1.04 3.46 0.00 -1.93 0.13 103.07 106.98 3h88 h GLY 46 Ca 0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3h88 h GLY 46 CO 0.03 0.15 0.12 3.21 0.00 0.00 0.00 176.54 180.05 3h88 h ARG 47 N 0.18 1.02 -0.05 4.80 3.08 -1.81 -0.67 114.38 120.93 3h88 h ARG 47 Ca 0.07 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3h88 h ARG 47 Cb 0.14 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3h88 h ARG 47 CO -0.01 0.94 0.03 0.35 -1.07 0.00 0.00 179.97 180.22 3h88 h PHE 48 N 0.94 0.06 -0.39 3.04 3.57 -1.19 -2.57 116.94 120.40 3h88 h PHE 48 Ca 0.19 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 3h88 h PHE 48 Cb 0.40 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3h88 h PHE 48 CO 0.03 0.06 -0.10 1.25 -2.23 0.00 0.00 178.31 177.32 3h88 h LEU 49 N 0.04 0.67 -0.83 0.59 5.85 -0.64 -2.54 115.31 118.45 3h88 h LEU 49 Ca 0.02 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 3h88 h LEU 49 Cb 0.02 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3h88 h LEU 49 CO -0.00 0.81 0.37 0.00 -0.34 0.00 0.00 178.44 179.27 3h88 h ALA 50 N 1.26 1.07 -0.24 1.25 0.00 -0.95 0.15 119.26 121.80 3h88 h ALA 50 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 50 Cb 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h88 h ALA 50 CO 0.03 0.67 0.04 0.87 0.00 0.00 0.00 179.25 180.86 3h88 h LYS 51 N 1.20 0.40 -0.51 0.00 1.57 -1.34 -1.19 116.57 116.71 3h88 h LYS 51 Ca 0.28 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3h88 h LYS 51 Cb 0.17 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3h88 h LYS 51 CO -0.03 0.53 0.28 0.00 -0.57 0.00 0.00 179.45 179.67 3h88 h ARG 52 N 0.21 0.70 -0.47 3.15 2.47 -1.16 -0.69 114.38 118.60 3h88 h ARG 52 Ca 0.07 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3h88 h ARG 52 Cb 0.33 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 3h88 h ARG 52 CO 0.00 0.54 0.28 0.35 0.56 0.00 0.00 179.97 181.70 3h88 h PHE 53 N 0.68 0.62 -0.69 3.04 3.57 -0.56 -0.61 116.94 122.98 3h88 h PHE 53 Ca 0.18 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3h88 h PHE 53 Cb 0.04 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3h88 h PHE 53 CO -0.02 0.44 0.28 0.00 -2.23 0.00 0.00 178.31 176.77 3h88 h ALA 54 N 1.13 0.90 -0.42 2.41 0.00 -1.07 -1.14 119.26 121.06 3h88 h ALA 54 Ca 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 54 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3h88 h ALA 54 CO -0.03 0.52 0.13 0.00 0.00 0.00 0.00 179.25 179.87 3h88 h ALA 55 N 1.13 0.55 -0.13 0.00 0.00 -0.70 -0.19 119.26 119.92 3h88 h ALA 55 Ca 0.23 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 55 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h88 h ALA 55 CO -0.02 0.19 -0.60 0.87 0.00 0.00 0.00 179.25 179.69 3h88 h LYS 56 N 0.53 0.44 -0.36 0.00 1.57 -0.98 -0.34 116.57 117.44 3h88 h LYS 56 Ca 0.13 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 3h88 h LYS 56 Cb 0.26 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3h88 h LYS 56 CO -0.00 0.91 -0.01 0.93 -0.57 0.00 0.00 179.45 180.71 3h88 h GLU 57 N 0.33 0.64 -0.80 3.15 5.08 -1.11 -0.37 114.58 121.50 3h88 h GLU 57 Ca -0.00 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3h88 h GLU 57 Cb 1.14 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 3h88 h GLU 57 CO 0.11 0.76 0.50 0.00 -1.00 0.00 0.00 179.01 179.37 3h88 h ALA 58 N 0.86 1.09 -0.49 3.43 0.00 -0.90 -1.92 119.26 121.33 3h88 h ALA 58 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 58 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h88 h ALA 58 CO 0.02 0.25 -0.11 0.00 0.00 0.00 0.00 179.25 179.41 3h88 h ALA 59 N 1.37 0.88 -0.24 0.00 0.00 -0.68 -1.23 119.26 119.37 3h88 h ALA 59 Ca 0.34 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 59 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3h88 h ALA 59 CO -0.16 0.64 -0.11 0.66 0.00 0.00 0.00 179.25 180.29 3h88 h SER 60 N 0.81 0.37 0.41 0.00 4.64 -0.75 -1.35 113.55 117.68 3h88 h SER 60 Ca 0.13 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 3h88 h SER 60 Cb 0.63 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3h88 h SER 60 CO 0.04 0.52 -0.78 0.11 -0.87 0.00 0.00 176.83 175.85 3h88 h LYS 61 N 0.37 0.29 -0.19 4.77 1.57 -0.88 -0.71 116.57 121.79 3h88 h LYS 61 Ca 0.07 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 3h88 h LYS 61 Cb 0.42 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3h88 h LYS 61 CO 0.02 0.93 -0.13 0.00 -0.57 0.00 0.00 179.45 179.70 3h88 h ALA 62 N 0.99 1.42 0.00 3.86 0.00 -0.59 -1.36 119.26 123.58 3h88 h ALA 62 Ca -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3h88 h ALA 62 Cb 1.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3h88 h ALA 62 CO 0.13 0.40 -0.19 -0.07 0.00 0.00 0.00 179.25 179.52 3h88 h LEU 63 N 0.30 0.00 0.00 0.00 3.38 -1.19 -3.35 115.31 114.45 3h88 h LEU 63 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h88 h LEU 63 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3h88 h LEU 63 CO 0.02 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.35 3h88 n GLY 64 N 0.10 0.73 0.03 0.83 0.00 -0.51 -4.93 105.19 101.44 3h88 n GLY 64 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.08 0.47 -4.66 2.61 -2.24 -1.09 -5.03 114.28 102.27 3h88 n THR 65 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3h88 n THR 65 Cb 0.00 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 2.41 -0.75 3.46 3.38 0.00 -0.29 -4.14 105.19 109.26 3h88 n GLY 66 Ca -0.11 -1.08 -0.44 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 4.69 -0.01 -0.61 -1.09 -1.26 -4.83 121.20 118.09 3h88 s ILE 67 Ca 0.00 -1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 56.55 3h88 s ILE 67 Cb 0.00 -4.80 0.10 0.00 -1.58 0.00 0.00 42.46 36.18 3h88 s ILE 67 CO 0.00 -1.54 0.91 0.00 -1.23 0.00 0.00 174.94 173.07 3h88 s ALA 68 N 2.77 -1.83 -1.54 9.38 0.00 -1.20 -4.95 121.76 124.40 3h88 s ALA 68 Ca 0.34 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 3h88 s ALA 68 Cb -0.04 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.49 3h88 s ALA 68 CO -0.09 -0.70 0.30 1.04 0.00 0.00 0.00 175.76 176.31 3h88 n GLN 69 N -0.25 -3.24 0.00 0.00 1.13 -1.26 -1.50 117.38 112.26 3h88 n GLN 69 Ca -0.08 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 55.83 3h88 n GLN 69 Cb 0.62 -5.60 0.00 0.00 0.11 0.00 0.00 30.24 25.37 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 -1.21 3.04 3.73 1.08 0.00 -1.26 -5.05 105.19 105.52 3h88 n GLY 70 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.82 3.27 0.21 1.61 1.01 -0.56 -4.47 120.40 118.65 3h88 s VAL 71 Ca 0.00 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.04 3h88 s VAL 71 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3h88 s VAL 71 CO 0.00 0.14 -0.04 0.42 0.00 0.00 0.00 175.10 175.62 3h88 s THR 72 N 0.30 1.09 0.56 3.92 -4.23 -1.26 -3.22 115.64 112.79 3h88 s THR 72 Ca 0.58 -2.05 0.24 0.00 -1.18 0.00 0.00 61.69 59.29 3h88 s THR 72 Cb -0.36 -2.19 0.35 0.00 1.34 0.00 0.00 72.50 71.64 3h88 s THR 72 CO 0.36 -0.46 2.10 -0.26 -0.54 0.00 0.00 174.62 175.83 3h88 h PHE 73 N 2.56 0.00 0.00 3.99 0.04 -1.88 -0.88 116.94 120.78 3h88 h PHE 73 Ca -0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3h88 h PHE 73 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3h88 h PHE 73 CO 0.60 0.00 0.00 0.72 -0.60 0.00 0.00 178.31 179.03 3h88 n HIS 74 N -4.16 0.46 0.62 -0.55 8.25 -1.26 -2.36 115.22 116.22 3h88 n HIS 74 Ca 0.02 0.18 0.11 0.00 -0.26 0.00 0.00 57.72 57.77 3h88 n HIS 74 Cb 0.32 -0.80 0.44 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 -1.92 0.26 -4.32 0.41 9.92 -0.33 -4.70 116.55 115.86 3h88 n ASP 75 Ca 0.02 0.55 -0.32 0.00 -0.53 0.00 0.00 54.79 54.51 3h88 n ASP 75 Cb 0.19 -0.61 -0.15 0.00 -0.64 0.00 0.00 41.12 39.91 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3h88 s PHE 76 N -3.08 2.65 -0.09 1.24 0.08 -1.00 -0.51 117.98 117.26 3h88 s PHE 76 Ca 0.09 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.45 3h88 s PHE 76 Cb 0.12 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 3h88 s PHE 76 CO 0.41 -0.22 -0.15 0.99 -0.10 0.00 0.00 175.22 176.15 3h88 s THR 77 N 0.10 1.42 -0.15 0.64 2.01 -0.26 -4.77 115.64 114.64 3h88 s THR 77 Ca -0.09 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 3h88 s THR 77 Cb -0.15 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 3h88 s THR 77 CO 0.06 0.42 0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 3h88 s ILE 78 N 0.81 4.76 0.00 1.82 -1.09 -1.26 -1.05 121.20 125.19 3h88 s ILE 78 Ca -0.11 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 3h88 s ILE 78 Cb -0.16 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3h88 s ILE 78 CO 0.01 0.52 0.00 -1.54 -1.23 0.00 0.00 174.94 172.71 3h88 n SER 79 N 2.96 0.24 -3.96 3.58 3.41 0.50 -4.94 113.62 115.41 3h88 n SER 79 Ca -0.18 -0.86 -0.12 0.00 -0.26 0.00 0.00 58.87 57.46 3h88 n SER 79 Cb 0.53 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.72 0.32 0.93 7.33 3.76 -1.26 -0.03 115.29 124.62 3h88 s HIS 80 Ca 0.00 -0.28 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 3h88 s HIS 80 Cb 0.00 -0.20 0.20 0.00 1.11 0.00 0.00 32.58 33.68 3h88 s HIS 80 CO 0.00 -0.08 1.28 0.16 -0.85 0.00 0.00 174.74 175.25 3h88 s ASP 81 N -0.80 3.24 0.57 1.40 1.47 -0.35 -4.93 116.67 117.27 3h88 s ASP 81 Ca -0.06 0.13 0.31 0.00 1.18 0.00 0.00 52.55 54.11 3h88 s ASP 81 Cb -0.06 -0.19 1.73 0.00 -0.34 0.00 0.00 42.92 44.06 3h88 s ASP 81 CO -0.00 -2.64 2.17 0.11 0.68 0.00 0.00 175.17 175.49 3h88 h LYS 82 N -1.50 0.00 -0.01 2.11 1.57 -2.02 -0.99 116.57 115.73 3h88 h LYS 82 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3h88 h LYS 82 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3h88 h LYS 82 CO 0.37 0.06 -0.09 1.28 -0.57 0.00 0.00 179.45 180.49 3h88 n LEU 83 N -3.57 1.36 0.00 2.94 4.77 -1.26 -4.94 117.00 116.30 3h88 n LEU 83 Ca -0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3h88 n LEU 83 Cb 0.17 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3h88 n LEU 83 CO 0.27 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3h88 n GLY 84 N 1.24 0.45 3.70 -0.72 0.00 -0.37 -5.06 105.19 104.42 3h88 n GLY 84 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.98 4.20 0.43 1.61 2.20 -1.26 -4.73 119.74 121.22 3h88 s LYS 85 Ca 0.00 2.36 -0.22 0.00 -0.36 0.00 0.00 55.97 57.74 3h88 s LYS 85 Cb 0.00 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 3h88 s LYS 85 CO 0.00 -0.69 1.03 -1.25 -0.36 0.00 0.00 175.35 174.09 3h88 s PRO 86 N 2.05 4.04 -0.02 4.03 0.04 -1.26 -1.21 135.00 142.68 3h88 s PRO 86 Ca 0.73 1.42 0.03 0.00 0.04 0.00 0.00 61.00 63.22 3h88 s PRO 86 Cb -0.42 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 3h88 s PRO 86 CO 0.32 -0.23 -0.11 -0.51 0.04 0.00 0.00 177.00 176.50 3h88 s LEU 87 N -2.99 1.90 -0.17 -3.56 1.43 0.96 -4.61 118.68 111.63 3h88 s LEU 87 Ca 0.62 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3h88 s LEU 87 Cb -0.19 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 3h88 s LEU 87 CO 0.23 0.11 -0.11 -0.22 0.23 0.00 0.00 176.35 176.60 3h88 s LEU 88 N -0.02 2.70 -0.07 1.79 2.96 -1.26 -0.37 118.68 124.40 3h88 s LEU 88 Ca -0.00 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3h88 s LEU 88 Cb -0.07 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3h88 s LEU 88 CO 0.00 0.06 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.23 3h88 s ILE 89 N 0.96 2.01 0.14 6.68 1.01 -0.22 -4.92 121.20 126.87 3h88 s ILE 89 Ca -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.65 3h88 s ILE 89 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3h88 s ILE 89 CO -0.01 0.55 0.19 -0.76 0.00 0.00 0.00 174.94 174.91 3h88 s LEU 90 N 0.06 4.02 0.35 2.97 1.43 -1.26 -1.10 118.68 125.15 3h88 s LEU 90 Ca -0.10 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3h88 s LEU 90 Cb -0.15 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.46 3h88 s LEU 90 CO 0.06 0.08 0.55 -0.94 0.23 0.00 0.00 176.35 176.32 3h88 s SER 91 N -3.05 0.74 0.89 2.29 1.04 0.33 -4.70 113.70 111.24 3h88 s SER 91 Ca 0.32 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3h88 s SER 91 Cb -0.11 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3h88 s SER 91 CO 0.25 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3h88 n GLY 92 N -0.56 1.49 0.22 7.32 0.00 -1.26 -2.21 105.19 110.19 3h88 n GLY 92 Ca -0.01 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.53 3h88 n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h88 h GLN 93 N 0.00 0.00 -0.42 1.61 5.75 -1.95 -2.43 115.11 117.66 3h88 h GLN 93 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3h88 h GLN 93 Cb 0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3h88 h GLN 93 CO 0.00 0.19 0.25 0.00 -2.65 0.00 0.00 178.83 176.61 3h88 h ALA 94 N 1.81 0.54 -0.65 3.38 0.00 -1.81 -0.29 119.26 122.25 3h88 h ALA 94 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3h88 h ALA 94 Cb 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3h88 h ALA 94 CO 0.02 0.05 0.10 0.00 0.00 0.00 0.00 179.25 179.42 3h88 h ALA 95 N 1.10 0.96 -0.33 0.00 0.00 -0.99 0.34 119.26 120.34 3h88 h ALA 95 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3h88 h ALA 95 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3h88 h ALA 95 CO -0.03 0.65 0.16 1.49 0.00 0.00 0.00 179.25 181.52 3h88 h GLU 96 N 0.99 0.48 -0.50 0.00 4.57 -1.01 -0.50 114.58 118.61 3h88 h GLU 96 Ca 0.20 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3h88 h GLU 96 Cb 0.43 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3h88 h GLU 96 CO 0.01 0.44 0.05 -0.07 -1.18 0.00 0.00 179.01 178.26 3h88 h LEU 97 N 0.40 0.82 -0.75 1.64 3.38 -0.82 -1.96 115.31 118.01 3h88 h LEU 97 Ca 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3h88 h LEU 97 Cb 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3h88 h LEU 97 CO -0.01 0.90 0.39 0.00 0.09 0.00 0.00 178.44 179.80 3h88 h ALA 98 N 0.96 0.97 -0.80 1.53 0.00 -0.77 -1.06 119.26 120.09 3h88 h ALA 98 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3h88 h ALA 98 Cb 0.44 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3h88 h ALA 98 CO 0.02 0.51 0.34 0.66 0.00 0.00 0.00 179.25 180.78 3h88 h SER 99 N 1.05 1.08 -0.94 0.00 4.64 -0.86 -0.64 113.55 117.87 3h88 h SER 99 Ca 0.26 -0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.45 3h88 h SER 99 Cb 0.08 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 61.84 3h88 h SER 99 CO -0.04 0.94 0.62 1.56 -0.87 0.00 0.00 176.83 179.04 3h88 h GLN 100 N 1.15 1.17 0.00 4.77 4.20 -0.95 -1.31 115.11 124.14 3h88 h GLN 100 Ca 0.27 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3h88 h GLN 100 Cb 0.18 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3h88 h GLN 100 CO -0.03 0.78 0.00 1.28 -0.67 0.00 0.00 178.83 180.19 3h88 n LEU 101 N -4.43 0.00 -3.31 1.46 4.77 -0.44 -4.91 117.00 110.14 3h88 n LEU 101 Ca 0.12 0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 3h88 n LEU 101 Cb 0.08 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3h88 n LEU 101 CO 0.35 -0.02 0.14 0.00 -1.33 0.00 0.00 177.39 176.53 3h88 n GLN 102 N -1.18 -6.62 -1.94 3.23 6.02 -0.41 -4.84 117.38 111.65 3h88 n GLN 102 Ca 0.16 0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 57.59 3h88 n GLN 102 Cb 0.17 -5.80 -0.02 0.00 1.02 0.00 0.00 30.24 25.60 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 -3.26 2.50 0.00 5.09 1.01 -0.38 -4.36 120.40 121.00 3h88 s VAL 103 Ca 0.46 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3h88 s VAL 103 Cb -0.20 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3h88 s VAL 103 CO 0.57 0.06 0.00 1.21 0.00 0.00 0.00 175.10 176.94 3h88 n GLU 104 N 2.66 1.98 -3.83 2.72 4.07 -0.05 -4.82 120.64 123.36 3h88 n GLU 104 Ca 0.09 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.06 3h88 n GLU 104 Cb 0.39 -0.84 -0.14 0.00 -0.06 0.00 0.00 31.44 30.79 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 3h88 s ASN 105 N -1.37 -0.01 -0.06 4.31 -0.87 -0.85 -5.04 114.94 111.05 3h88 s ASN 105 Ca 0.00 0.07 0.03 0.00 -1.57 0.00 0.00 52.86 51.39 3h88 s ASN 105 Cb 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.27 3h88 s ASN 105 CO 0.00 -0.04 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.70 3h88 s ILE 106 N 0.31 1.39 -0.03 0.60 1.01 -1.26 -0.95 121.20 122.28 3h88 s ILE 106 Ca -0.02 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3h88 s ILE 106 Cb -0.04 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 3h88 s ILE 106 CO -0.01 0.41 -0.15 -1.00 0.00 0.00 0.00 174.94 174.19 3h88 s HIS 107 N 0.31 1.41 -0.00 3.97 3.76 0.31 -4.82 115.29 120.23 3h88 s HIS 107 Ca -0.10 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 3h88 s HIS 107 Cb -0.14 -0.94 -0.00 0.00 1.11 0.00 0.00 32.58 32.61 3h88 s HIS 107 CO 0.04 -0.09 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.62 3h88 s LEU 108 N -0.10 2.02 0.02 0.89 2.96 -1.26 -0.57 118.68 122.63 3h88 s LEU 108 Ca 0.01 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3h88 s LEU 108 Cb -0.08 -0.24 -0.01 0.00 0.50 0.00 0.00 46.19 46.36 3h88 s LEU 108 CO 0.01 0.05 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.50 3h88 s SER 109 N -0.16 0.29 0.07 3.68 0.15 -0.42 -4.66 113.70 112.65 3h88 s SER 109 Ca 0.01 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.38 3h88 s SER 109 Cb -0.02 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 3h88 s SER 109 CO -0.00 -0.17 -0.12 -0.63 1.20 0.00 0.00 173.24 173.52 3h88 s ILE 110 N -0.91 0.93 -0.11 6.45 1.01 -1.26 -1.50 121.20 125.81 3h88 s ILE 110 Ca -0.09 -1.27 -0.18 0.00 0.00 0.00 0.00 60.65 59.11 3h88 s ILE 110 Cb -0.06 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.49 3h88 s ILE 110 CO -0.00 -0.30 0.45 -0.55 0.00 0.00 0.00 174.94 174.54 3h88 s SER 111 N -1.75 -0.43 0.07 3.58 0.15 -1.26 -5.01 113.70 109.05 3h88 s SER 111 Ca -0.04 0.66 0.02 0.00 0.70 0.00 0.00 55.95 57.30 3h88 s SER 111 Cb -0.09 0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 3h88 s SER 111 CO 0.02 -0.31 -0.07 1.51 1.20 0.00 0.00 173.24 175.59 3h88 s ASP 112 N -0.40 0.98 0.00 5.45 -4.77 -1.26 -4.44 116.67 112.23 3h88 s ASP 112 Ca -0.05 -0.77 0.00 0.00 -3.30 0.00 0.00 52.55 48.42 3h88 s ASP 112 Cb -0.03 0.07 0.00 0.00 -1.09 0.00 0.00 42.92 41.86 3h88 s ASP 112 CO 0.03 -0.33 0.00 -0.62 0.70 0.00 0.00 175.17 174.95 3h88 n GLU 113 N 0.73 3.98 -0.24 2.11 -0.58 0.16 -5.00 120.64 121.80 3h88 n GLU 113 Ca -0.18 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.50 3h88 n GLU 113 Cb 0.58 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.49 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 0.95 0.00 3.49 9.65 -2.03 -3.31 114.38 123.12 3h88 h ARG 114 Ca 0.00 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 3h88 h ARG 114 Cb 0.00 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 3h88 h ARG 114 CO 0.00 0.72 -1.69 0.72 2.80 0.00 0.00 179.97 182.52 3h88 n HIS 115 N -4.51 0.00 -4.32 2.20 8.25 -1.26 -4.90 115.22 110.69 3h88 n HIS 115 Ca 0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.33 3h88 n HIS 115 Cb 0.10 -0.36 -0.14 0.00 1.12 0.00 0.00 29.99 30.71 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 -2.98 0.93 0.46 4.41 2.02 -1.25 -1.17 117.35 119.78 3h88 s TYR 116 Ca -0.05 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 3h88 s TYR 116 Cb 0.09 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 3h88 s TYR 116 CO 0.61 -0.01 0.16 0.00 -1.57 0.00 0.00 175.55 174.74 3h88 s ALA 117 N -0.61 3.84 -0.27 3.71 0.00 -0.28 -0.66 121.76 127.49 3h88 s ALA 117 Ca 0.01 -1.52 -0.35 0.00 0.00 0.00 0.00 51.96 50.09 3h88 s ALA 117 Cb -0.06 -0.28 0.16 0.00 0.00 0.00 0.00 23.12 22.94 3h88 s ALA 117 CO 0.00 -0.18 1.35 0.00 0.00 0.00 0.00 175.76 176.93 3h88 s ALA 119 N -2.72 -2.16 -0.00 0.00 0.00 -0.56 -0.38 121.76 115.94 3h88 s ALA 119 Ca 0.30 1.87 0.01 0.00 0.00 0.00 0.00 51.96 54.13 3h88 s ALA 119 Cb 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 3h88 s ALA 119 CO 0.17 -0.47 -0.02 0.99 0.00 0.00 0.00 175.76 176.43 3h88 s THR 120 N -1.80 0.19 -0.02 0.00 2.01 -0.56 -1.32 115.64 114.14 3h88 s THR 120 Ca 0.11 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.04 3h88 s THR 120 Cb -0.01 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 3h88 s THR 120 CO -0.04 0.05 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.09 3h88 s VAL 121 N -0.06 1.27 -0.03 3.82 1.01 -0.10 -1.30 120.40 125.02 3h88 s VAL 121 Ca 0.01 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3h88 s VAL 121 Cb -0.01 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 3h88 s VAL 121 CO -0.00 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 3h88 s ILE 122 N -0.17 1.10 -0.13 2.22 1.01 0.26 -1.21 121.20 124.28 3h88 s ILE 122 Ca 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 3h88 s ILE 122 Cb -0.08 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3h88 s ILE 122 CO 0.00 0.32 -0.05 -0.76 0.00 0.00 0.00 174.94 174.45 3h88 s LEU 123 N -0.04 3.18 0.04 2.97 1.43 -0.65 -0.53 118.68 125.09 3h88 s LEU 123 Ca -0.00 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3h88 s LEU 123 Cb -0.08 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3h88 s LEU 123 CO 0.01 0.22 -0.13 -1.83 0.23 0.00 0.00 176.35 174.84 3h88 s GLU 124 N 0.04 0.87 0.00 1.70 -1.05 -0.12 0.04 118.70 120.17 3h88 s GLU 124 Ca -0.01 -0.77 0.15 0.00 -0.15 0.00 0.00 54.97 54.20 3h88 s GLU 124 Cb -0.14 -0.86 0.12 0.00 -0.44 0.00 0.00 34.13 32.81 3h88 s GLU 124 CO 0.03 0.21 0.99 2.89 0.95 0.00 0.00 175.26 180.33