#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 2.11 -0.03 0.00 1.01 -1.26 -4.93 121.20 118.10 3h88 s ILE 2 Ca 0.00 -1.01 0.13 0.00 0.00 0.00 0.00 60.65 59.77 3h88 s ILE 2 Cb 0.00 -1.80 -0.20 0.00 0.01 0.00 0.00 42.46 40.48 3h88 s ILE 2 CO 0.00 0.56 0.26 0.52 0.00 0.00 0.00 174.94 176.28 3h88 n VAL 3 N 3.36 0.11 -3.55 2.92 0.31 0.92 -4.89 118.33 117.51 3h88 n VAL 3 Ca -0.19 -0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 63.69 3h88 n VAL 3 Cb 0.53 0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.49 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 -3.65 -0.38 -0.02 2.92 0.00 -1.12 -4.96 107.32 100.11 3h88 s GLY 4 Ca -0.05 1.68 0.02 0.00 0.00 0.00 0.00 44.72 46.38 3h88 s GLY 4 CO 0.54 0.90 -0.08 -2.27 0.00 0.00 0.00 173.10 172.19 3h88 s LEU 5 N -1.35 1.86 -0.01 0.66 2.96 -1.26 -1.33 118.68 120.22 3h88 s LEU 5 Ca -0.03 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3h88 s LEU 5 Cb -0.00 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.23 3h88 s LEU 5 CO 0.02 0.07 0.10 -0.83 -1.32 0.00 0.00 176.35 174.39 3h88 s GLY 6 N 0.06 0.03 0.04 7.98 0.00 -0.43 -3.72 107.32 111.28 3h88 s GLY 6 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 3h88 s GLY 6 CO -0.00 -0.12 0.02 -1.08 0.00 0.00 0.00 173.10 171.93 3h88 s THR 7 N -0.82 0.16 -0.19 0.90 -1.32 -1.26 -1.03 115.64 112.08 3h88 s THR 7 Ca -0.09 -1.31 -0.27 0.00 -1.21 0.00 0.00 61.69 58.80 3h88 s THR 7 Cb -0.05 -0.99 0.08 0.00 -1.51 0.00 0.00 72.50 70.02 3h88 s THR 7 CO 0.01 -0.72 0.73 -0.62 -2.21 0.00 0.00 174.62 171.81 3h88 s ASP 8 N -2.29 -0.69 -0.01 8.08 2.15 -0.70 -4.55 116.67 118.66 3h88 s ASP 8 Ca -0.03 1.12 0.05 0.00 0.43 0.00 0.00 52.55 54.12 3h88 s ASP 8 Cb 0.00 1.06 -0.01 0.00 -0.30 0.00 0.00 42.92 43.67 3h88 s ASP 8 CO -0.06 -0.38 -0.17 -0.51 -0.17 0.00 0.00 175.17 173.88 3h88 s ILE 9 N -0.24 1.34 -0.04 4.11 2.07 -1.26 -1.87 121.20 125.31 3h88 s ILE 9 Ca -0.04 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 3h88 s ILE 9 Cb -0.03 -1.13 0.01 0.00 0.13 0.00 0.00 42.46 41.44 3h88 s ILE 9 CO 0.04 0.34 -0.09 0.00 -1.91 0.00 0.00 174.94 173.32 3h88 s ALA 10 N -0.46 0.94 -0.32 1.50 0.00 0.78 -5.00 121.76 119.21 3h88 s ALA 10 Ca 0.06 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.46 3h88 s ALA 10 Cb -0.07 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3h88 s ALA 10 CO -0.00 0.10 0.97 -2.00 0.00 0.00 0.00 175.76 174.83 3h88 s GLU 11 N 0.48 4.01 0.18 0.00 2.12 -1.26 -0.90 118.70 123.33 3h88 s GLU 11 Ca -0.08 0.88 -0.14 0.00 0.36 0.00 0.00 54.97 55.99 3h88 s GLU 11 Cb -0.12 -3.74 0.08 0.00 0.26 0.00 0.00 34.13 30.61 3h88 s GLU 11 CO 0.01 -0.84 1.84 0.82 -0.54 0.00 0.00 175.26 176.55 3h88 h ILE 12 N 5.70 1.12 -0.35 -3.70 2.04 -1.41 -2.38 117.51 118.53 3h88 h ILE 12 Ca -0.22 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3h88 h ILE 12 Cb 1.07 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3h88 h ILE 12 CO 0.98 0.13 0.23 -0.08 0.00 0.00 0.00 178.15 179.42 3h88 h GLU 13 N 0.71 0.41 -0.65 2.37 4.81 -1.92 -0.93 114.58 119.38 3h88 h GLU 13 Ca 0.20 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3h88 h GLU 13 Cb -0.06 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3h88 h GLU 13 CO -0.06 0.27 0.15 0.00 -0.73 0.00 0.00 179.01 178.65 3h88 h ARG 14 N 0.42 1.03 -0.31 1.92 3.08 -1.81 -0.04 114.38 118.67 3h88 h ARG 14 Ca 0.14 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3h88 h ARG 14 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3h88 h ARG 14 CO -0.03 0.91 -0.02 0.28 -1.07 0.00 0.00 179.97 180.04 3h88 h VAL 15 N 0.98 1.27 -0.37 2.04 2.07 -1.21 -2.33 116.25 118.70 3h88 h VAL 15 Ca 0.21 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3h88 h VAL 15 Cb 0.35 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3h88 h VAL 15 CO 0.00 0.32 0.11 -0.33 0.02 0.00 0.00 177.57 177.70 3h88 h GLU 16 N 0.35 0.25 -0.89 1.57 5.08 -1.06 -1.54 114.58 118.34 3h88 h GLU 16 Ca 0.08 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3h88 h GLU 16 Cb 0.48 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3h88 h GLU 16 CO 0.02 0.17 0.59 0.87 -1.00 0.00 0.00 179.01 179.66 3h88 h LYS 17 N 0.26 1.17 -0.35 2.33 1.57 -0.98 -1.33 116.57 119.23 3h88 h LYS 17 Ca 0.17 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3h88 h LYS 17 Cb 0.16 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3h88 h LYS 17 CO -0.19 0.77 -0.16 0.00 -0.57 0.00 0.00 179.45 179.31 3h88 h ALA 18 N 1.45 1.06 -0.21 3.86 0.00 -0.99 -2.16 119.26 122.25 3h88 h ALA 18 Ca 0.33 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3h88 h ALA 18 Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3h88 h ALA 18 CO -0.07 0.57 -0.46 -0.07 0.00 0.00 0.00 179.25 179.23 3h88 h LEU 19 N 0.58 0.58 -1.73 0.00 3.38 -0.88 0.14 115.31 117.38 3h88 h LEU 19 Ca 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3h88 h LEU 19 Cb 0.61 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h88 h LEU 19 CO 0.04 0.96 -0.07 0.00 0.09 0.00 0.00 178.44 179.46 3h88 h ALA 20 N 1.07 1.06 0.02 1.53 0.00 -0.73 -0.57 119.26 121.64 3h88 h ALA 20 Ca 0.03 -0.06 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 3h88 h ALA 20 Cb 0.97 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3h88 h ALA 20 CO 0.09 0.08 -2.11 0.54 0.00 0.00 0.00 179.25 177.85 3h88 n ARG 21 N -3.25 0.61 0.00 0.00 1.74 -0.86 -4.75 116.66 110.15 3h88 n ARG 21 Ca -0.01 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3h88 n ARG 21 Cb 0.28 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 -4.03 0.37 0.00 0.55 7.64 0.45 -5.06 113.62 113.53 3h88 n SER 22 Ca -0.44 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 58.76 3h88 n SER 22 Cb 0.87 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.70 3h88 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h88 n GLY 23 N 0.63 3.00 0.26 0.23 0.00 -0.22 -1.47 105.19 107.63 3h88 n GLY 23 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -0.24 1.61 4.39 -1.95 -0.23 114.58 118.16 3h88 h GLU 24 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3h88 h GLU 24 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3h88 h GLU 24 CO 0.00 0.02 -0.07 -0.91 -1.16 0.00 0.00 179.01 176.89 3h88 h ASN 25 N 0.00 0.36 0.03 1.42 2.35 -1.68 -0.15 115.58 117.91 3h88 h ASN 25 Ca -0.00 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3h88 h ASN 25 Cb 0.04 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3h88 h ASN 25 CO 0.00 0.48 -0.02 0.15 -1.65 0.00 0.00 177.43 176.39 3h88 h PHE 26 N 0.36 -0.04 -1.01 1.19 3.57 -1.09 -3.24 116.94 116.68 3h88 h PHE 26 Ca 0.08 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.74 3h88 h PHE 26 Cb 0.36 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.02 3h88 h PHE 26 CO 0.01 0.62 0.62 0.00 -2.23 0.00 0.00 178.31 177.33 3h88 h ALA 27 N -0.18 1.62 0.00 2.41 0.00 -1.14 -1.92 119.26 120.06 3h88 h ALA 27 Ca -0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 27 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3h88 h ALA 27 CO 0.01 0.04 -0.54 -0.09 0.00 0.00 0.00 179.25 178.67 3h88 h ARG 28 N 0.84 0.00 -0.18 0.00 2.43 -1.14 -0.63 114.38 115.70 3h88 h ARG 28 Ca 0.55 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.67 3h88 h ARG 28 Cb 0.77 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3h88 h ARG 28 CO -0.34 0.54 -0.14 0.00 -1.51 0.00 0.00 179.97 178.51 3h88 h ARG 29 N 0.00 0.29 0.07 0.20 3.08 -1.37 -3.33 114.38 113.33 3h88 h ARG 29 Ca -0.01 -0.07 -0.35 0.00 0.07 0.00 0.00 59.98 59.62 3h88 h ARG 29 Cb 1.03 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 3h88 h ARG 29 CO 0.07 0.44 -2.05 -0.89 -1.07 0.00 0.00 179.97 176.47 3h88 n ILE 30 N -4.24 1.67 -4.17 2.04 2.08 -0.84 -4.57 119.36 111.32 3h88 n ILE 30 Ca -0.00 -0.69 -0.33 0.00 0.56 0.00 0.00 62.75 62.29 3h88 n ILE 30 Cb 0.29 -1.44 -0.08 0.00 -0.75 0.00 0.00 39.64 37.66 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 -6.64 3.79 0.78 1.39 1.43 -0.30 -4.48 118.68 114.64 3h88 s LEU 31 Ca -0.20 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3h88 s LEU 31 Cb 0.07 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 44.22 3h88 s LEU 31 CO 0.76 0.30 1.09 0.42 0.23 0.00 0.00 176.35 179.15 3h88 s THR 32 N -1.11 3.21 0.31 5.49 -4.23 -1.26 -4.68 115.64 113.37 3h88 s THR 32 Ca 0.20 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.13 3h88 s THR 32 Cb -0.12 -3.16 0.29 0.00 1.34 0.00 0.00 72.50 70.86 3h88 s THR 32 CO 0.11 -0.51 1.89 0.44 -0.54 0.00 0.00 174.62 176.00 3h88 h ASP 33 N -1.01 0.86 -0.64 3.99 3.32 -1.98 -0.53 116.42 120.42 3h88 h ASP 33 Ca -0.46 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 3h88 h ASP 33 Cb 1.26 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3h88 h ASP 33 CO 0.59 0.51 0.20 -1.28 -1.72 0.00 0.00 179.24 177.55 3h88 h SER 34 N 0.95 0.93 0.42 6.45 0.87 -2.03 -2.61 113.55 118.54 3h88 h SER 34 Ca 0.42 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3h88 h SER 34 Cb 0.36 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3h88 h SER 34 CO -0.18 0.89 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.31 3h88 h GLU 35 N 0.93 0.00 0.00 2.24 5.08 -1.70 -3.16 114.58 117.96 3h88 h GLU 35 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3h88 h GLU 35 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3h88 h GLU 35 CO -0.01 0.37 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.29 3h88 h LEU 36 N 0.00 0.00 -0.54 1.33 3.38 -0.73 -0.93 115.31 117.83 3h88 h LEU 36 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h88 h LEU 36 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3h88 h LEU 36 CO 0.05 0.02 0.28 -0.33 0.09 0.00 0.00 178.44 178.54 3h88 h GLU 37 N 0.00 0.77 -0.11 1.13 5.08 -1.54 0.18 114.58 120.08 3h88 h GLU 37 Ca -0.00 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 3h88 h GLU 37 Cb 0.03 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3h88 h GLU 37 CO 0.00 0.62 -0.70 1.96 -1.00 0.00 0.00 179.01 179.89 3h88 h GLN 38 N 0.72 0.50 -0.40 2.33 4.20 -1.48 -2.78 115.11 118.21 3h88 h GLN 38 Ca 0.19 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3h88 h GLN 38 Cb 0.09 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3h88 h GLN 38 CO -0.03 1.01 0.26 0.35 -0.67 0.00 0.00 178.83 179.75 3h88 h PHE 39 N 0.35 0.51 0.00 2.96 3.57 -0.84 -2.53 116.94 120.97 3h88 h PHE 39 Ca -0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3h88 h PHE 39 Cb 1.28 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 3h88 h PHE 39 CO 0.05 0.34 -0.18 0.45 -2.23 0.00 0.00 178.31 176.73 3h88 h HIS 40 N 0.53 0.00 0.00 0.41 3.86 -0.52 -0.74 115.15 118.69 3h88 h HIS 40 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3h88 h HIS 40 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3h88 h HIS 40 CO -0.04 0.18 0.00 0.00 0.86 0.00 0.00 177.93 178.93 3h88 n ALA 41 N -2.38 2.23 -1.77 2.45 0.00 -0.98 -4.88 120.51 115.18 3h88 n ALA 41 Ca -0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 3h88 n ALA 41 Cb 0.27 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -4.35 5.95 0.00 0.00 0.15 -0.29 -4.94 113.70 110.22 3h88 s SER 42 Ca 0.10 2.34 0.23 0.00 0.70 0.00 0.00 55.95 59.33 3h88 s SER 42 Cb 0.13 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.27 3h88 s SER 42 CO 0.57 -1.07 1.41 0.29 1.20 0.00 0.00 173.24 175.64 3h88 n LYS 43 N -0.74 2.52 -3.16 5.44 5.02 -1.26 -4.46 118.16 121.52 3h88 n LYS 43 Ca 0.09 -2.29 -0.20 0.00 -2.02 0.00 0.00 58.31 53.88 3h88 n LYS 43 Cb 0.48 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 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 1.50 1.36 -0.21 1.97 6.02 -1.26 -4.98 117.38 121.77 3h88 n GLN 44 Ca 0.20 -3.64 0.03 0.00 -0.01 0.00 0.00 57.00 53.58 3h88 n GLN 44 Cb 0.61 -1.75 0.28 0.00 1.02 0.00 0.00 30.24 30.40 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3h88 h GLN 45 N 3.14 0.89 -0.72 -1.09 4.20 -1.88 -0.54 115.11 119.12 3h88 h GLN 45 Ca 0.10 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3h88 h GLN 45 Cb 0.87 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 3h88 h GLN 45 CO 0.56 0.59 0.18 0.78 -0.67 0.00 0.00 178.83 180.27 3h88 h GLY 46 N 0.92 1.23 1.34 3.46 0.00 -1.93 0.68 103.07 108.77 3h88 h GLY 46 Ca 0.30 -0.77 -0.22 0.00 0.00 0.00 0.00 47.33 46.64 3h88 h GLY 46 CO -0.09 0.71 -0.84 3.21 0.00 0.00 0.00 176.54 179.53 3h88 h ARG 47 N 1.08 0.63 0.03 4.80 3.08 -1.72 -0.05 114.38 122.23 3h88 h ARG 47 Ca 0.23 -0.57 0.03 0.00 0.07 0.00 0.00 59.98 59.74 3h88 h ARG 47 Cb 0.37 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 3h88 h ARG 47 CO 0.00 1.18 -0.31 0.35 -1.07 0.00 0.00 179.97 180.13 3h88 h PHE 48 N 0.41 -0.84 -0.48 3.04 3.57 -0.87 -2.69 116.94 119.07 3h88 h PHE 48 Ca -0.07 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 3h88 h PHE 48 Cb 1.47 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.55 3h88 h PHE 48 CO 0.08 -0.40 0.01 1.25 -2.23 0.00 0.00 178.31 177.01 3h88 h LEU 49 N -0.47 0.76 -1.03 0.59 5.85 -0.72 -2.65 115.31 117.63 3h88 h LEU 49 Ca 0.05 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3h88 h LEU 49 Cb 0.55 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3h88 h LEU 49 CO -0.24 0.82 0.65 0.00 -0.34 0.00 0.00 178.44 179.33 3h88 h ALA 50 N 1.27 1.33 -0.29 1.25 0.00 -0.84 0.27 119.26 122.24 3h88 h ALA 50 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 50 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h88 h ALA 50 CO 0.02 0.60 -0.12 0.87 0.00 0.00 0.00 179.25 180.62 3h88 h LYS 51 N 1.29 0.59 -0.65 0.00 1.57 -1.26 -1.49 116.57 116.63 3h88 h LYS 51 Ca 0.38 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3h88 h LYS 51 Cb -0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3h88 h LYS 51 CO -0.10 0.82 0.32 0.00 -0.57 0.00 0.00 179.45 179.91 3h88 h ARG 52 N 0.34 0.93 -0.42 3.15 2.47 -1.15 -1.40 114.38 118.30 3h88 h ARG 52 Ca 0.07 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3h88 h ARG 52 Cb 0.63 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3h88 h ARG 52 CO 0.04 0.73 0.27 0.35 0.56 0.00 0.00 179.97 181.92 3h88 h PHE 53 N 0.89 0.51 -0.44 3.04 3.57 -0.36 -0.99 116.94 123.17 3h88 h PHE 53 Ca 0.22 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 3h88 h PHE 53 Cb 0.10 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3h88 h PHE 53 CO 0.00 0.32 -0.23 0.00 -2.23 0.00 0.00 178.31 176.17 3h88 h ALA 54 N 1.16 0.75 -0.45 2.41 0.00 -1.08 -1.29 119.26 120.76 3h88 h ALA 54 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3h88 h ALA 54 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3h88 h ALA 54 CO -0.05 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.10 3h88 h ALA 55 N 0.94 0.58 -0.26 0.00 0.00 -1.01 0.31 119.26 119.83 3h88 h ALA 55 Ca 0.10 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3h88 h ALA 55 Cb 0.79 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h88 h ALA 55 CO 0.07 0.13 -0.50 0.87 0.00 0.00 0.00 179.25 179.82 3h88 h LYS 56 N 0.59 0.71 -0.64 0.00 1.57 -1.04 -1.08 116.57 116.68 3h88 h LYS 56 Ca 0.16 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3h88 h LYS 56 Cb 0.09 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3h88 h LYS 56 CO -0.02 1.04 0.32 0.93 -0.57 0.00 0.00 179.45 181.15 3h88 h GLU 57 N 0.56 0.92 -0.70 3.15 5.08 -1.14 -0.17 114.58 122.28 3h88 h GLU 57 Ca 0.02 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3h88 h GLU 57 Cb 1.06 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3h88 h GLU 57 CO 0.10 0.72 0.24 0.00 -1.00 0.00 0.00 179.01 179.08 3h88 h ALA 58 N 1.15 0.91 -0.65 3.43 0.00 -0.75 -1.65 119.26 121.69 3h88 h ALA 58 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 58 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3h88 h ALA 58 CO -0.03 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.91 3h88 h ALA 59 N 1.11 0.98 -0.14 0.00 0.00 -0.88 0.36 119.26 120.69 3h88 h ALA 59 Ca 0.23 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 59 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h88 h ALA 59 CO -0.01 0.65 -0.29 0.66 0.00 0.00 0.00 179.25 180.25 3h88 h SER 60 N 1.00 0.26 0.49 0.00 4.64 -0.70 -1.81 113.55 117.43 3h88 h SER 60 Ca 0.20 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.23 3h88 h SER 60 Cb 0.41 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3h88 h SER 60 CO 0.01 0.55 -0.91 0.11 -0.87 0.00 0.00 176.83 175.72 3h88 h LYS 61 N 0.23 0.28 -0.04 4.77 1.57 -0.77 -0.50 116.57 122.10 3h88 h LYS 61 Ca 0.03 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 3h88 h LYS 61 Cb 0.64 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3h88 h LYS 61 CO 0.05 1.02 -0.17 0.00 -0.57 0.00 0.00 179.45 179.77 3h88 h ALA 62 N 0.87 1.65 0.00 3.86 0.00 -0.32 -1.84 119.26 123.48 3h88 h ALA 62 Ca -0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3h88 h ALA 62 Cb 1.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 3h88 h ALA 62 CO 0.15 0.26 -0.62 -0.07 0.00 0.00 0.00 179.25 178.97 3h88 h LEU 63 N 0.06 0.00 0.00 0.00 3.38 -1.23 -3.35 115.31 114.17 3h88 h LEU 63 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h88 h LEU 63 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3h88 h LEU 63 CO 0.02 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.78 3h88 n GLY 64 N 0.47 0.59 0.01 0.83 0.00 -0.69 -4.94 105.19 101.46 3h88 n GLY 64 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -1.72 0.09 -4.84 2.61 -2.24 -1.13 -5.02 114.28 102.02 3h88 n THR 65 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3h88 n THR 65 Cb 0.00 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3h88 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h88 n GLY 66 N 1.87 -0.43 3.52 3.38 0.00 -0.22 -3.84 105.19 109.46 3h88 n GLY 66 Ca -0.04 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 4.49 0.06 -0.61 -1.09 -1.26 -4.75 121.20 118.05 3h88 s ILE 67 Ca 0.00 -1.90 -0.26 0.00 -2.23 0.00 0.00 60.65 56.26 3h88 s ILE 67 Cb 0.00 -5.01 0.09 0.00 -1.58 0.00 0.00 42.46 35.96 3h88 s ILE 67 CO 0.00 -1.79 1.19 0.00 -1.23 0.00 0.00 174.94 173.11 3h88 s ALA 68 N 3.21 -2.13 -1.56 9.38 0.00 -1.05 -4.96 121.76 124.65 3h88 s ALA 68 Ca 0.45 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 3h88 s ALA 68 Cb -0.00 0.84 0.10 0.00 0.00 0.00 0.00 23.12 24.05 3h88 s ALA 68 CO -0.01 -1.12 0.85 1.04 0.00 0.00 0.00 175.76 176.53 3h88 n GLN 69 N -0.83 -4.54 -0.07 0.00 1.13 -1.26 -1.18 117.38 110.64 3h88 n GLN 69 Ca 0.01 0.51 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 3h88 n GLN 69 Cb 0.59 -5.26 0.00 0.00 0.11 0.00 0.00 30.24 25.68 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 -1.62 2.81 3.69 1.08 0.00 -1.26 -5.01 105.19 104.87 3h88 n GLY 70 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.02 4.92 0.41 1.61 1.01 -0.32 -4.61 120.40 120.40 3h88 s VAL 71 Ca 0.00 1.66 0.06 0.00 0.00 0.00 0.00 61.98 63.71 3h88 s VAL 71 Cb 0.00 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 3h88 s VAL 71 CO 0.00 0.11 0.01 0.42 0.00 0.00 0.00 175.10 175.64 3h88 s THR 72 N 1.58 1.88 0.43 3.92 -4.23 -1.26 -2.53 115.64 115.42 3h88 s THR 72 Ca 0.41 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.01 3h88 s THR 72 Cb -0.18 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 70.98 3h88 s THR 72 CO 0.17 0.00 2.03 -0.26 -0.54 0.00 0.00 174.62 176.02 3h88 h PHE 73 N 1.76 0.32 0.00 3.99 -1.00 -1.88 -1.51 116.94 118.63 3h88 h PHE 73 Ca -0.44 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.34 3h88 h PHE 73 Cb 1.25 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.70 3h88 h PHE 73 CO 0.78 0.27 0.00 0.72 -1.61 0.00 0.00 178.31 178.47 3h88 n HIS 74 N -4.43 0.00 0.90 -0.55 8.25 -1.26 -2.55 115.22 115.58 3h88 n HIS 74 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 3h88 n HIS 74 Cb 0.13 -0.47 0.46 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.47 0.00 -4.03 0.41 8.00 -0.57 -4.73 116.55 114.17 3h88 n ASP 75 Ca 0.04 -0.15 -0.24 0.00 0.71 0.00 0.00 54.79 55.15 3h88 n ASP 75 Cb 0.18 -0.19 -0.17 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.38 1.45 -0.09 1.24 0.40 -1.06 -1.02 117.98 116.52 3h88 s PHE 76 Ca 0.19 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3h88 s PHE 76 Cb 0.12 -1.06 0.01 0.00 0.51 0.00 0.00 43.02 42.59 3h88 s PHE 76 CO 0.24 -0.27 -0.20 0.99 0.70 0.00 0.00 175.22 176.69 3h88 s THR 77 N 0.62 1.72 -0.17 0.64 2.01 -0.23 -4.78 115.64 115.47 3h88 s THR 77 Ca -0.14 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 3h88 s THR 77 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3h88 s THR 77 CO 0.04 0.49 0.09 -0.63 -0.69 0.00 0.00 174.62 173.92 3h88 s ILE 78 N 0.48 5.09 0.01 1.82 1.09 -1.26 -1.32 121.20 127.11 3h88 s ILE 78 Ca -0.17 0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.45 3h88 s ILE 78 Cb -0.17 -3.28 -0.00 0.00 -1.06 0.00 0.00 42.46 37.95 3h88 s ILE 78 CO 0.07 0.50 0.00 -1.54 -0.10 0.00 0.00 174.94 173.87 3h88 n SER 79 N 3.11 0.61 -4.04 3.58 3.41 0.80 -4.95 113.62 116.14 3h88 n SER 79 Ca -0.17 -1.04 -0.11 0.00 -0.26 0.00 0.00 58.87 57.29 3h88 n SER 79 Cb 0.53 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.55 0.47 7.33 3.76 -1.26 -0.16 115.29 124.26 3h88 s HIS 80 Ca 0.00 -0.57 -0.06 0.00 -0.15 0.00 0.00 55.06 54.29 3h88 s HIS 80 Cb 0.00 -0.34 0.10 0.00 1.11 0.00 0.00 32.58 33.45 3h88 s HIS 80 CO 0.00 -0.14 0.64 -0.40 -0.85 0.00 0.00 174.74 173.99 3h88 n ASP 81 N 1.33 0.28 0.25 1.40 5.68 -0.30 -4.91 116.55 120.27 3h88 n ASP 81 Ca -0.22 -1.37 0.13 0.00 -0.50 0.00 0.00 54.79 52.83 3h88 n ASP 81 Cb 0.55 -0.46 0.56 0.00 -1.14 0.00 0.00 41.12 40.63 3h88 n ASP 81 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3h88 h LYS 82 N 0.00 0.00 -0.01 0.11 2.10 -2.02 -1.64 116.57 115.11 3h88 h LYS 82 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3h88 h LYS 82 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 3h88 h LYS 82 CO 0.17 0.13 -0.19 1.28 -2.00 0.00 0.00 179.45 178.84 3h88 n LEU 83 N -3.29 1.20 0.00 7.07 4.32 -1.26 -4.94 117.00 120.11 3h88 n LEU 83 Ca 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 3h88 n LEU 83 Cb 0.37 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 3h88 n LEU 83 CO 0.31 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 3h88 n GLY 84 N 1.30 0.66 3.72 -0.72 0.00 -0.62 -5.06 105.19 104.47 3h88 n GLY 84 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.87 4.32 0.40 1.61 2.20 -1.26 -4.76 119.74 121.39 3h88 s LYS 85 Ca 0.00 2.11 -0.23 0.00 -0.36 0.00 0.00 55.97 57.49 3h88 s LYS 85 Cb 0.00 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 33.01 3h88 s LYS 85 CO 0.00 -0.41 1.01 -1.25 -0.36 0.00 0.00 175.35 174.34 3h88 s PRO 86 N 0.74 4.21 -0.02 4.03 0.04 -1.26 -1.15 135.00 141.58 3h88 s PRO 86 Ca 0.63 1.38 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3h88 s PRO 86 Cb -0.38 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3h88 s PRO 86 CO 0.33 -0.08 -0.08 -0.51 0.04 0.00 0.00 177.00 176.70 3h88 s LEU 87 N -2.74 1.84 -0.20 -3.56 1.43 0.78 -4.62 118.68 111.61 3h88 s LEU 87 Ca 0.58 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3h88 s LEU 87 Cb -0.18 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.57 3h88 s LEU 87 CO 0.23 0.07 -0.08 -0.22 0.23 0.00 0.00 176.35 176.58 3h88 s LEU 88 N 0.10 2.79 -0.09 1.79 2.96 -1.26 -0.14 118.68 124.83 3h88 s LEU 88 Ca -0.01 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3h88 s LEU 88 Cb -0.07 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3h88 s LEU 88 CO 0.00 0.02 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.30 3h88 s ILE 89 N 1.22 3.23 0.14 6.68 1.09 -0.43 -4.93 121.20 128.19 3h88 s ILE 89 Ca 0.02 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 3h88 s ILE 89 Cb -0.14 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 3h88 s ILE 89 CO -0.03 0.56 0.30 -0.76 -0.10 0.00 0.00 174.94 174.92 3h88 s LEU 90 N -0.29 4.31 0.37 2.97 1.43 -1.26 -1.06 118.68 125.15 3h88 s LEU 90 Ca 0.03 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 3h88 s LEU 90 Cb -0.13 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.06 3h88 s LEU 90 CO 0.03 0.06 0.55 -0.94 0.23 0.00 0.00 176.35 176.28 3h88 s SER 91 N -2.91 0.88 0.54 2.29 1.04 -0.19 -4.70 113.70 110.65 3h88 s SER 91 Ca 0.37 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.30 3h88 s SER 91 Cb -0.12 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3h88 s SER 91 CO 0.28 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3h88 n GLY 92 N -0.59 1.69 0.24 7.32 0.00 -1.26 -1.90 105.19 110.68 3h88 n GLY 92 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 0.24 -0.51 1.61 5.75 -1.94 -1.74 115.11 118.52 3h88 h GLN 93 Ca 0.00 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3h88 h GLN 93 Cb 0.00 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 3h88 h GLN 93 CO 0.00 0.39 0.29 0.00 -2.65 0.00 0.00 178.83 176.86 3h88 h ALA 94 N 1.63 0.66 -0.68 3.38 0.00 -1.78 0.12 119.26 122.59 3h88 h ALA 94 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 94 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3h88 h ALA 94 CO 0.02 -0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.38 3h88 h ALA 95 N 1.25 0.89 -0.42 0.00 0.00 -0.63 -0.55 119.26 119.81 3h88 h ALA 95 Ca 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 95 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h88 h ALA 95 CO -0.12 0.64 0.12 1.49 0.00 0.00 0.00 179.25 181.37 3h88 h GLU 96 N 1.03 0.66 -0.57 0.00 4.57 -0.78 -0.50 114.58 118.98 3h88 h GLU 96 Ca 0.21 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 3h88 h GLU 96 Cb 0.40 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3h88 h GLU 96 CO 0.01 0.65 0.17 -0.07 -1.18 0.00 0.00 179.01 178.59 3h88 h LEU 97 N 0.54 0.84 -1.22 1.64 3.38 -0.79 -1.16 115.31 118.53 3h88 h LEU 97 Ca 0.13 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3h88 h LEU 97 Cb 0.28 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3h88 h LEU 97 CO -0.00 0.83 0.53 0.00 0.09 0.00 0.00 178.44 179.89 3h88 h ALA 98 N 1.04 1.44 -0.12 1.53 0.00 -0.91 -1.15 119.26 121.10 3h88 h ALA 98 Ca 0.18 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 98 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h88 h ALA 98 CO -0.00 0.52 -0.56 0.66 0.00 0.00 0.00 179.25 179.86 3h88 h SER 99 N 1.07 0.41 -0.64 0.00 4.64 -0.66 0.17 113.55 118.54 3h88 h SER 99 Ca 0.29 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3h88 h SER 99 Cb -0.12 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3h88 h SER 99 CO -0.06 0.89 0.31 1.56 -0.87 0.00 0.00 176.83 178.66 3h88 h GLN 100 N 0.28 0.95 -0.00 4.77 4.20 -0.59 -1.74 115.11 122.98 3h88 h GLN 100 Ca 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3h88 h GLN 100 Cb 1.07 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3h88 h GLN 100 CO 0.09 0.75 -0.01 1.28 -0.67 0.00 0.00 178.83 180.27 3h88 n LEU 101 N -4.33 0.07 -2.52 1.46 4.77 -0.49 -4.89 117.00 111.05 3h88 n LEU 101 Ca 0.06 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 3h88 n LEU 101 Cb 0.14 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3h88 n LEU 101 CO 0.39 0.01 -0.07 0.00 -1.33 0.00 0.00 177.39 176.38 3h88 n GLN 102 N -1.10 -3.50 -1.79 3.23 6.02 -0.66 -4.82 117.38 114.75 3h88 n GLN 102 Ca 0.19 0.84 -0.42 0.00 -0.01 0.00 0.00 57.00 57.60 3h88 n GLN 102 Cb 0.19 -5.46 -0.03 0.00 1.02 0.00 0.00 30.24 25.96 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 -3.06 2.74 0.00 5.09 1.01 0.52 -4.36 120.40 122.34 3h88 s VAL 103 Ca 0.19 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3h88 s VAL 103 Cb -0.08 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3h88 s VAL 103 CO 0.23 -0.00 0.00 -1.84 0.00 0.00 0.00 175.10 173.49 3h88 n GLU 104 N 5.71 3.42 -4.03 2.72 0.28 0.03 -4.80 120.64 123.97 3h88 n GLU 104 Ca 0.17 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 57.01 3h88 n GLU 104 Cb 0.39 -0.71 -0.15 0.00 1.43 0.00 0.00 31.44 32.40 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3h88 s ASN 105 N -1.38 0.49 -0.09 -1.84 -0.87 -0.90 -5.02 114.94 105.32 3h88 s ASN 105 Ca 0.00 -0.06 0.03 0.00 -1.57 0.00 0.00 52.86 51.26 3h88 s ASN 105 Cb 0.00 -0.17 0.01 0.00 -0.02 0.00 0.00 41.25 41.07 3h88 s ASN 105 CO 0.00 -0.03 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.70 3h88 s ILE 106 N 0.49 1.56 -0.04 0.60 1.01 -1.26 -1.32 121.20 122.24 3h88 s ILE 106 Ca -0.05 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 59.94 3h88 s ILE 106 Cb -0.08 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3h88 s ILE 106 CO -0.01 0.45 -0.22 -1.00 0.00 0.00 0.00 174.94 174.17 3h88 s HIS 107 N 0.68 2.08 -0.01 3.97 3.76 -0.56 -4.82 115.29 120.40 3h88 s HIS 107 Ca -0.13 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 3h88 s HIS 107 Cb -0.16 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 32.17 3h88 s HIS 107 CO 0.03 -0.15 -0.00 -1.17 -0.85 0.00 0.00 174.74 172.60 3h88 s LEU 108 N -0.19 1.76 0.04 0.89 2.96 -1.26 -1.13 118.68 121.75 3h88 s LEU 108 Ca -0.01 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3h88 s LEU 108 Cb -0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.48 3h88 s LEU 108 CO 0.02 -0.02 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.40 3h88 s SER 109 N 0.26 0.90 0.03 3.68 0.15 -0.60 -4.67 113.70 113.45 3h88 s SER 109 Ca -0.02 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.15 3h88 s SER 109 Cb -0.04 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 3h88 s SER 109 CO -0.01 -0.17 -0.10 -0.63 1.20 0.00 0.00 173.24 173.54 3h88 s ILE 110 N -1.25 0.74 -0.02 6.45 1.01 -1.26 -1.95 121.20 124.93 3h88 s ILE 110 Ca -0.08 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 3h88 s ILE 110 Cb -0.09 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.69 3h88 s ILE 110 CO 0.00 -0.07 0.13 -0.55 0.00 0.00 0.00 174.94 174.45 3h88 s SER 111 N -0.95 -0.03 0.05 3.58 0.15 -1.26 -5.00 113.70 110.24 3h88 s SER 111 Ca -0.02 -0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.64 3h88 s SER 111 Cb -0.07 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.45 3h88 s SER 111 CO 0.00 -0.23 -0.09 1.51 1.20 0.00 0.00 173.24 175.64 3h88 s ASP 112 N -0.77 0.99 0.00 5.45 -4.77 -1.26 -4.45 116.67 111.86 3h88 s ASP 112 Ca -0.09 -0.59 0.00 0.00 -3.30 0.00 0.00 52.55 48.57 3h88 s ASP 112 Cb -0.05 0.03 0.00 0.00 -1.09 0.00 0.00 42.92 41.81 3h88 s ASP 112 CO 0.01 -0.21 0.00 -0.62 0.70 0.00 0.00 175.17 175.05 3h88 n GLU 113 N 1.32 3.10 -0.23 2.11 -0.58 -0.07 -5.00 120.64 121.28 3h88 n GLU 113 Ca -0.22 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.55 3h88 n GLU 113 Cb 0.55 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.57 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h88 h ARG 114 N 0.00 0.43 0.00 3.49 3.08 -2.04 -3.32 114.38 116.02 3h88 h ARG 114 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h88 h ARG 114 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3h88 h ARG 114 CO 0.00 0.28 -1.04 0.72 -1.07 0.00 0.00 179.97 178.86 3h88 n HIS 115 N -4.99 0.00 -4.51 3.04 8.25 -1.26 -4.90 115.22 110.85 3h88 n HIS 115 Ca 0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.35 3h88 n HIS 115 Cb 0.34 -0.11 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.25 1.44 0.43 4.41 1.51 -1.25 -0.98 117.35 120.66 3h88 s TYR 116 Ca -0.01 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 3h88 s TYR 116 Cb 0.05 -0.87 -0.06 0.00 -0.11 0.00 0.00 41.96 40.97 3h88 s TYR 116 CO 0.29 0.04 0.06 0.00 -1.11 0.00 0.00 175.55 174.83 3h88 s ALA 117 N -0.74 3.49 0.00 3.71 0.00 -0.08 -0.89 121.76 127.24 3h88 s ALA 117 Ca 0.04 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.14 3h88 s ALA 117 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3h88 s ALA 117 CO 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.65 3h88 n ALA 119 N -1.11 0.00 -2.64 0.00 0.00 -0.78 -0.15 120.51 115.82 3h88 n ALA 119 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 3h88 n ALA 119 Cb 0.66 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 3h88 n ALA 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h88 s THR 120 N -1.93 1.03 -0.04 0.00 2.01 -0.82 -1.73 115.64 114.17 3h88 s THR 120 Ca 0.00 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3h88 s THR 120 Cb 0.00 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.60 3h88 s THR 120 CO 0.00 0.07 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.24 3h88 s VAL 121 N -0.69 0.66 -0.05 3.82 1.01 -0.19 -1.55 120.40 123.39 3h88 s VAL 121 Ca 0.02 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3h88 s VAL 121 Cb -0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3h88 s VAL 121 CO 0.01 0.23 -0.20 -0.63 0.00 0.00 0.00 175.10 174.51 3h88 s ILE 122 N 0.54 1.68 -0.09 2.22 1.01 -0.29 -1.31 121.20 124.96 3h88 s ILE 122 Ca -0.08 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3h88 s ILE 122 Cb -0.11 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3h88 s ILE 122 CO 0.01 0.47 -0.12 -0.76 0.00 0.00 0.00 174.94 174.54 3h88 s LEU 123 N 0.00 2.84 -0.01 2.97 1.43 -0.44 -1.49 118.68 123.97 3h88 s LEU 123 Ca -0.05 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3h88 s LEU 123 Cb -0.13 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3h88 s LEU 123 CO 0.03 0.28 -0.15 -0.70 0.23 0.00 0.00 176.35 176.04 3h88 s GLU 124 N -0.32 1.23 0.00 1.70 2.12 -0.43 -0.06 118.70 122.94 3h88 s GLU 124 Ca 0.03 -0.53 0.24 0.00 0.36 0.00 0.00 54.97 55.07 3h88 s GLU 124 Cb -0.13 -1.18 0.19 0.00 0.26 0.00 0.00 34.13 33.27 3h88 s GLU 124 CO 0.02 0.31 1.25 2.89 -0.54 0.00 0.00 175.26 179.20