#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 3.54 -0.16 0.00 1.01 -1.26 -4.85 121.20 119.49 3h88 s ILE 2 Ca 0.00 -0.45 0.20 0.00 0.00 0.00 0.00 60.65 60.40 3h88 s ILE 2 Cb 0.00 -2.59 -0.12 0.00 0.01 0.00 0.00 42.46 39.76 3h88 s ILE 2 CO 0.00 0.44 0.81 0.55 0.00 0.00 0.00 174.94 176.74 3h88 n VAL 3 N 4.40 0.74 -3.56 2.92 3.14 0.47 -4.96 118.33 121.48 3h88 n VAL 3 Ca -0.18 -0.60 -0.06 0.00 -2.96 0.00 0.00 64.34 60.54 3h88 n VAL 3 Cb 0.51 -0.41 -0.02 0.00 -1.06 0.00 0.00 33.84 32.86 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3h88 s GLY 4 N -4.60 -0.36 -0.00 7.55 0.00 -1.15 -4.96 107.32 103.81 3h88 s GLY 4 Ca -0.03 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.09 3h88 s GLY 4 CO 0.82 0.47 -0.03 -2.27 0.00 0.00 0.00 173.10 172.09 3h88 s LEU 5 N -2.27 1.97 -0.00 0.66 2.96 -1.26 -1.32 118.68 119.43 3h88 s LEU 5 Ca 0.07 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3h88 s LEU 5 Cb -0.01 -0.17 -0.00 0.00 0.50 0.00 0.00 46.19 46.51 3h88 s LEU 5 CO -0.06 0.03 0.04 -0.83 -1.32 0.00 0.00 176.35 174.21 3h88 s GLY 6 N -0.03 0.07 0.06 7.98 0.00 -0.52 -3.71 107.32 111.17 3h88 s GLY 6 Ca 0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 3h88 s GLY 6 CO -0.00 -0.21 0.11 -1.08 0.00 0.00 0.00 173.10 171.92 3h88 s THR 7 N -0.72 0.15 -0.22 0.90 -1.32 -1.26 -1.19 115.64 111.98 3h88 s THR 7 Ca -0.08 -1.25 -0.26 0.00 -1.21 0.00 0.00 61.69 58.89 3h88 s THR 7 Cb -0.05 -1.19 0.08 0.00 -1.51 0.00 0.00 72.50 69.83 3h88 s THR 7 CO -0.00 -0.69 0.75 -0.62 -2.21 0.00 0.00 174.62 171.84 3h88 s ASP 8 N -2.55 -0.70 -0.01 8.08 2.15 -0.70 -4.50 116.67 118.44 3h88 s ASP 8 Ca 0.01 1.23 0.08 0.00 0.43 0.00 0.00 52.55 54.30 3h88 s ASP 8 Cb 0.03 1.20 -0.02 0.00 -0.30 0.00 0.00 42.92 43.83 3h88 s ASP 8 CO -0.08 -0.32 -0.25 -0.51 -0.17 0.00 0.00 175.17 173.84 3h88 s ILE 9 N 0.02 1.99 -0.04 4.11 2.07 -1.26 -1.92 121.20 126.16 3h88 s ILE 9 Ca -0.02 -1.12 0.02 0.00 -1.41 0.00 0.00 60.65 58.12 3h88 s ILE 9 Cb -0.04 -1.66 0.01 0.00 0.13 0.00 0.00 42.46 40.90 3h88 s ILE 9 CO 0.02 0.52 -0.09 0.00 -1.91 0.00 0.00 174.94 173.49 3h88 s ALA 10 N -0.62 0.93 -0.17 1.50 0.00 0.40 -5.00 121.76 118.81 3h88 s ALA 10 Ca 0.10 -0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 3h88 s ALA 10 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3h88 s ALA 10 CO -0.00 0.09 0.94 -2.00 0.00 0.00 0.00 175.76 174.79 3h88 s GLU 11 N 0.55 4.32 0.21 0.00 2.12 -1.26 -1.51 118.70 123.13 3h88 s GLU 11 Ca -0.09 1.22 -0.04 0.00 0.36 0.00 0.00 54.97 56.42 3h88 s GLU 11 Cb -0.13 -3.58 0.18 0.00 0.26 0.00 0.00 34.13 30.86 3h88 s GLU 11 CO 0.01 -0.41 1.61 0.82 -0.54 0.00 0.00 175.26 176.76 3h88 h ILE 12 N 5.24 1.28 -0.77 -3.70 2.04 -1.47 -2.84 117.51 117.28 3h88 h ILE 12 Ca -0.27 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.21 3h88 h ILE 12 Cb 1.12 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 3h88 h ILE 12 CO 0.88 0.46 0.51 -0.08 0.00 0.00 0.00 178.15 179.92 3h88 h GLU 13 N 0.63 0.99 -0.81 2.37 4.81 -1.92 -0.85 114.58 119.80 3h88 h GLU 13 Ca 0.08 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3h88 h GLU 13 Cb 0.79 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3h88 h GLU 13 CO 0.06 0.65 0.40 0.00 -0.73 0.00 0.00 179.01 179.40 3h88 h ARG 14 N 1.02 1.16 -0.35 1.92 3.08 -1.89 0.95 114.38 120.26 3h88 h ARG 14 Ca 0.29 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3h88 h ARG 14 Cb -0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 3h88 h ARG 14 CO -0.07 0.88 -0.09 0.28 -1.07 0.00 0.00 179.97 179.90 3h88 h VAL 15 N 1.15 1.28 -0.65 2.04 2.07 -1.31 -2.04 116.25 118.79 3h88 h VAL 15 Ca 0.28 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3h88 h VAL 15 Cb 0.09 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3h88 h VAL 15 CO -0.04 0.38 0.35 -0.33 0.02 0.00 0.00 177.57 177.95 3h88 h GLU 16 N 0.47 0.91 -0.84 1.57 5.08 -0.75 -0.87 114.58 120.15 3h88 h GLU 16 Ca 0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3h88 h GLU 16 Cb 0.60 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3h88 h GLU 16 CO 0.04 0.69 0.46 0.87 -1.00 0.00 0.00 179.01 180.06 3h88 h LYS 17 N 0.89 1.17 -0.85 2.33 1.57 -0.76 -1.46 116.57 119.46 3h88 h LYS 17 Ca 0.23 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3h88 h LYS 17 Cb 0.05 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3h88 h LYS 17 CO -0.04 0.86 0.49 0.00 -0.57 0.00 0.00 179.45 180.19 3h88 h ALA 18 N 1.24 1.08 -0.46 3.86 0.00 -0.86 -2.15 119.26 121.98 3h88 h ALA 18 Ca 0.29 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 18 Cb 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3h88 h ALA 18 CO -0.05 0.57 -0.10 -0.07 0.00 0.00 0.00 179.25 179.60 3h88 h LEU 19 N 1.17 0.83 -1.62 0.00 3.38 -0.82 0.21 115.31 118.46 3h88 h LEU 19 Ca 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3h88 h LEU 19 Cb -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3h88 h LEU 19 CO -0.05 0.95 -0.19 0.00 0.09 0.00 0.00 178.44 179.23 3h88 h ALA 20 N 1.13 1.27 0.03 1.53 0.00 -0.84 0.77 119.26 123.14 3h88 h ALA 20 Ca 0.13 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 3h88 h ALA 20 Cb 0.60 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3h88 h ALA 20 CO 0.04 0.24 -1.66 0.54 0.00 0.00 0.00 179.25 178.41 3h88 n ARG 21 N -3.71 0.62 0.00 0.00 1.74 -0.85 -4.73 116.66 109.72 3h88 n ARG 21 Ca -0.01 0.45 0.01 0.00 -0.77 0.00 0.00 57.85 57.53 3h88 n ARG 21 Cb 0.31 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 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 -4.15 0.48 0.00 0.55 7.64 0.69 -5.05 113.62 113.78 3h88 n SER 22 Ca -0.36 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3h88 n SER 22 Cb 0.80 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.71 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 0.80 2.71 0.33 0.23 0.00 0.26 -1.87 105.19 107.66 3h88 n GLY 23 Ca 0.01 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 0.82 -0.60 1.61 4.57 -1.95 0.96 114.58 119.99 3h88 h GLU 24 Ca 0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3h88 h GLU 24 Cb 0.00 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3h88 h GLU 24 CO 0.00 0.58 0.40 -0.91 -1.18 0.00 0.00 179.01 177.90 3h88 h ASN 25 N 0.84 0.68 -0.02 1.04 2.35 -1.80 0.57 115.58 119.25 3h88 h ASN 25 Ca 0.22 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3h88 h ASN 25 Cb -0.02 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3h88 h ASN 25 CO -0.04 0.49 -0.09 0.15 -1.65 0.00 0.00 177.43 176.29 3h88 h PHE 26 N 0.80 0.12 -0.95 1.19 3.57 -0.85 -3.17 116.94 117.66 3h88 h PHE 26 Ca 0.22 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3h88 h PHE 26 Cb -0.08 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3h88 h PHE 26 CO -0.00 0.76 0.62 0.00 -2.23 0.00 0.00 178.31 177.46 3h88 h ALA 27 N 0.34 1.24 0.00 2.41 0.00 -0.90 -1.40 119.26 120.94 3h88 h ALA 27 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 27 Cb 0.77 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3h88 h ALA 27 CO 0.02 0.51 -0.25 0.00 0.00 0.00 0.00 179.25 179.54 3h88 h ARG 28 N 1.21 0.00 -0.15 0.00 3.08 -1.01 0.11 114.38 117.62 3h88 h ARG 28 Ca 0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.36 3h88 h ARG 28 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3h88 h ARG 28 CO -0.11 0.25 -0.19 -0.09 -1.07 0.00 0.00 179.97 178.76 3h88 h ARG 29 N 0.00 0.25 0.07 0.04 2.43 -1.22 -3.30 114.38 112.65 3h88 h ARG 29 Ca -0.00 -0.07 -0.36 0.00 -0.81 0.00 0.00 59.98 58.73 3h88 h ARG 29 Cb 0.55 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 3h88 h ARG 29 CO 0.03 0.44 -2.12 -0.89 -1.51 0.00 0.00 179.97 175.93 3h88 n ILE 30 N -4.22 1.66 -4.13 1.20 2.08 -0.92 -4.61 119.36 110.43 3h88 n ILE 30 Ca -0.01 -0.67 -0.32 0.00 0.56 0.00 0.00 62.75 62.32 3h88 n ILE 30 Cb 0.32 -1.48 -0.07 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 -6.68 3.73 0.79 1.39 1.43 -0.02 -4.54 118.68 114.78 3h88 s LEU 31 Ca -0.23 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 3h88 s LEU 31 Cb 0.07 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 44.08 3h88 s LEU 31 CO 0.74 0.23 1.14 0.42 0.23 0.00 0.00 176.35 179.10 3h88 s THR 32 N -1.25 2.57 0.40 5.49 -4.23 -1.26 -4.67 115.64 112.68 3h88 s THR 32 Ca 0.25 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 61.03 3h88 s THR 32 Cb -0.12 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 70.80 3h88 s THR 32 CO 0.16 -0.24 1.98 0.44 -0.54 0.00 0.00 174.62 176.43 3h88 h ASP 33 N -0.99 0.33 -0.42 3.99 3.32 -1.98 -1.93 116.42 118.72 3h88 h ASP 33 Ca -0.46 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 3h88 h ASP 33 Cb 1.30 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3h88 h ASP 33 CO 0.64 0.36 0.16 -1.28 -1.72 0.00 0.00 179.24 177.40 3h88 h SER 34 N 0.36 0.59 1.16 6.45 0.87 -2.03 -2.81 113.55 118.14 3h88 h SER 34 Ca 0.09 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3h88 h SER 34 Cb 0.18 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3h88 h SER 34 CO -0.00 0.60 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.56 3h88 h GLU 35 N 0.54 0.00 0.00 2.24 5.08 -1.75 -3.16 114.58 117.53 3h88 h GLU 35 Ca 0.14 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3h88 h GLU 35 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3h88 h GLU 35 CO -0.01 0.02 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.77 3h88 h LEU 36 N 0.00 0.00 -0.30 1.33 3.38 -1.09 -2.17 115.31 116.47 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 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3h88 h LEU 36 CO 0.00 0.18 0.11 -0.33 0.09 0.00 0.00 178.44 178.48 3h88 h GLU 37 N 0.00 0.45 -0.24 1.13 5.08 -1.64 0.28 114.58 119.64 3h88 h GLU 37 Ca -0.00 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3h88 h GLU 37 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3h88 h GLU 37 CO 0.02 0.48 -0.37 1.96 -1.00 0.00 0.00 179.01 180.10 3h88 h GLN 38 N 0.32 0.54 -0.42 2.33 4.20 -1.68 -2.51 115.11 117.88 3h88 h GLN 38 Ca 0.10 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3h88 h GLN 38 Cb 0.21 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3h88 h GLN 38 CO -0.01 0.83 0.23 0.35 -0.67 0.00 0.00 178.83 179.57 3h88 h PHE 39 N 0.45 0.58 -0.27 2.96 3.57 -1.13 -2.20 116.94 120.90 3h88 h PHE 39 Ca 0.04 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3h88 h PHE 39 Cb 0.86 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3h88 h PHE 39 CO 0.03 0.44 -0.07 0.45 -2.23 0.00 0.00 178.31 176.93 3h88 h HIS 40 N 0.55 0.45 0.00 0.41 3.86 -0.32 -0.63 115.15 119.47 3h88 h HIS 40 Ca 0.15 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3h88 h HIS 40 Cb 0.05 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.39 3h88 h HIS 40 CO -0.02 0.50 0.00 0.00 0.86 0.00 0.00 177.93 179.27 3h88 n ALA 41 N -2.48 2.17 -1.78 2.45 0.00 -0.96 -4.84 120.51 115.07 3h88 n ALA 41 Ca 0.01 -0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 3h88 n ALA 41 Cb 0.27 -1.43 -0.02 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 -3.61 6.28 -0.01 0.00 0.15 -0.25 -4.93 113.70 111.32 3h88 s SER 42 Ca 0.11 2.14 0.18 0.00 0.70 0.00 0.00 55.95 59.08 3h88 s SER 42 Cb 0.15 -2.59 0.54 0.00 -1.71 0.00 0.00 66.02 62.41 3h88 s SER 42 CO 0.51 -0.83 1.45 0.29 1.20 0.00 0.00 173.24 175.85 3h88 n LYS 43 N -0.61 2.86 -3.19 5.44 5.02 -1.26 -4.51 118.16 121.91 3h88 n LYS 43 Ca 0.08 -2.48 -0.21 0.00 -2.02 0.00 0.00 58.31 53.68 3h88 n LYS 43 Cb 0.50 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 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 1.19 0.94 -0.02 1.97 6.02 -1.26 -4.99 117.38 121.23 3h88 n GLN 44 Ca 0.20 -3.37 -0.04 0.00 -0.01 0.00 0.00 57.00 53.79 3h88 n GLN 44 Cb 0.58 -1.52 0.19 0.00 1.02 0.00 0.00 30.24 30.51 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 3.44 0.57 -0.67 -1.09 4.20 -1.89 -1.06 115.11 118.61 3h88 h GLN 45 Ca 0.09 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 3h88 h GLN 45 Cb 0.92 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 3h88 h GLN 45 CO 0.50 0.72 0.11 0.78 -0.67 0.00 0.00 178.83 180.27 3h88 h GLY 46 N 0.98 1.20 1.06 3.46 0.00 -1.94 0.66 103.07 108.49 3h88 h GLY 46 Ca 0.09 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 3h88 h GLY 46 CO 0.04 0.74 0.06 3.21 0.00 0.00 0.00 176.54 180.58 3h88 h ARG 47 N 1.04 1.05 -0.22 4.80 3.08 -1.77 -0.53 114.38 121.83 3h88 h ARG 47 Ca 0.21 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3h88 h ARG 47 Cb 0.44 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3h88 h ARG 47 CO 0.01 1.00 0.11 0.35 -1.07 0.00 0.00 179.97 180.38 3h88 h PHE 48 N 0.96 0.32 -0.40 3.04 3.57 -0.97 -2.50 116.94 120.96 3h88 h PHE 48 Ca 0.18 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3h88 h PHE 48 Cb 0.49 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3h88 h PHE 48 CO 0.04 0.31 -0.25 1.25 -2.23 0.00 0.00 178.31 177.42 3h88 h LEU 49 N 0.24 0.85 -1.03 0.59 5.85 -0.77 -2.70 115.31 118.34 3h88 h LEU 49 Ca 0.08 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3h88 h LEU 49 Cb 0.10 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3h88 h LEU 49 CO -0.01 1.06 0.45 0.00 -0.34 0.00 0.00 178.44 179.60 3h88 h ALA 50 N 1.00 1.26 -0.51 1.25 0.00 -0.92 0.11 119.26 121.45 3h88 h ALA 50 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 50 Cb 0.78 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3h88 h ALA 50 CO 0.06 0.60 0.04 0.87 0.00 0.00 0.00 179.25 180.83 3h88 h LYS 51 N 1.14 0.87 -0.45 0.00 1.57 -1.31 -1.12 116.57 117.26 3h88 h LYS 51 Ca 0.29 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3h88 h LYS 51 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3h88 h LYS 51 CO -0.05 0.88 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 3h88 h ARG 52 N 0.74 0.76 -0.38 3.15 2.47 -1.16 -0.94 114.38 119.01 3h88 h ARG 52 Ca 0.15 -0.21 0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3h88 h ARG 52 Cb 0.46 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 3h88 h ARG 52 CO 0.02 0.78 0.20 0.35 0.56 0.00 0.00 179.97 181.87 3h88 h PHE 53 N 0.62 0.36 -0.44 3.04 3.57 -0.66 0.23 116.94 123.67 3h88 h PHE 53 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3h88 h PHE 53 Cb 0.39 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3h88 h PHE 53 CO 0.03 0.19 0.06 0.00 -2.23 0.00 0.00 178.31 176.36 3h88 h ALA 54 N 1.19 0.58 -0.51 2.41 0.00 -1.13 -0.02 119.26 121.79 3h88 h ALA 54 Ca 0.16 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h88 h ALA 54 Cb 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3h88 h ALA 54 CO -0.11 0.31 0.29 0.00 0.00 0.00 0.00 179.25 179.74 3h88 h ALA 55 N 0.93 0.65 -0.37 0.00 0.00 -0.87 -1.09 119.26 118.51 3h88 h ALA 55 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 55 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h88 h ALA 55 CO 0.01 -0.03 -0.31 0.87 0.00 0.00 0.00 179.25 179.79 3h88 h LYS 56 N 0.57 0.86 -0.56 0.00 1.57 -0.78 -1.02 116.57 117.20 3h88 h LYS 56 Ca 0.21 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3h88 h LYS 56 Cb 0.06 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3h88 h LYS 56 CO -0.11 1.08 0.29 0.93 -0.57 0.00 0.00 179.45 181.06 3h88 h GLU 57 N 0.66 0.78 -0.71 3.15 5.08 -0.85 -1.05 114.58 121.65 3h88 h GLU 57 Ca 0.07 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3h88 h GLU 57 Cb 0.89 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 3h88 h GLU 57 CO 0.08 0.62 0.42 0.00 -1.00 0.00 0.00 179.01 179.13 3h88 h ALA 58 N 1.12 0.95 -0.69 3.43 0.00 -1.11 -1.67 119.26 121.28 3h88 h ALA 58 Ca 0.19 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3h88 h ALA 58 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h88 h ALA 58 CO -0.03 0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.55 3h88 h ALA 59 N 1.34 1.02 -0.14 0.00 0.00 -0.85 -0.96 119.26 119.66 3h88 h ALA 59 Ca 0.30 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 59 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 59 CO -0.15 0.65 -0.26 0.66 0.00 0.00 0.00 179.25 180.14 3h88 h SER 60 N 1.04 0.26 0.62 0.00 4.64 -0.91 -1.57 113.55 117.63 3h88 h SER 60 Ca 0.22 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 3h88 h SER 60 Cb 0.34 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3h88 h SER 60 CO -0.00 0.52 -0.96 0.11 -0.87 0.00 0.00 176.83 175.63 3h88 h LYS 61 N 0.23 0.20 -0.04 4.77 1.57 -0.77 -0.92 116.57 121.62 3h88 h LYS 61 Ca 0.04 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3h88 h LYS 61 Cb 0.59 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3h88 h LYS 61 CO 0.04 1.01 -0.18 0.00 -0.57 0.00 0.00 179.45 179.76 3h88 h ALA 62 N 0.89 1.63 0.00 3.86 0.00 -0.60 -1.27 119.26 123.78 3h88 h ALA 62 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3h88 h ALA 62 Cb 1.62 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3h88 h ALA 62 CO 0.15 0.27 -0.05 -0.07 0.00 0.00 0.00 179.25 179.55 3h88 h LEU 63 N 0.05 0.00 0.00 0.00 3.38 -1.16 -3.35 115.31 114.24 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 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3h88 h LEU 63 CO 0.02 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3h88 n GLY 64 N 0.57 0.73 0.01 0.83 0.00 -0.48 -4.91 105.19 101.93 3h88 n GLY 64 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.10 0.09 -4.91 2.61 -2.24 -1.14 -5.03 114.28 101.56 3h88 n THR 65 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3h88 n THR 65 Cb 0.00 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.95 -0.17 3.51 3.38 0.00 -0.37 -4.12 105.19 109.36 3h88 n GLY 66 Ca -0.04 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 4.31 0.00 -0.61 -1.09 -1.26 -4.75 121.20 117.79 3h88 s ILE 67 Ca 0.00 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.20 3h88 s ILE 67 Cb 0.00 -4.94 0.00 0.00 -1.58 0.00 0.00 42.46 35.94 3h88 s ILE 67 CO 0.00 -1.75 0.00 0.00 -1.23 0.00 0.00 174.94 171.96 3h88 n ALA 68 N 7.78 0.00 -3.32 9.38 0.00 -0.84 -4.96 120.51 128.55 3h88 n ALA 68 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 3h88 n ALA 68 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 3h88 n ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h88 n GLN 69 N -0.14 -4.81 0.00 0.00 1.13 -1.26 -1.00 117.38 111.29 3h88 n GLN 69 Ca 0.00 0.72 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 3h88 n GLN 69 Cb 0.00 -5.56 0.00 0.00 0.11 0.00 0.00 30.24 24.79 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 -1.48 2.69 3.70 1.08 0.00 -1.26 -5.01 105.19 104.90 3h88 n GLY 70 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.55 4.73 0.29 1.61 1.01 -0.17 -4.66 120.40 120.66 3h88 s VAL 71 Ca 0.00 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.02 3h88 s VAL 71 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 3h88 s VAL 71 CO 0.00 0.10 -0.07 0.42 0.00 0.00 0.00 175.10 175.55 3h88 s THR 72 N 1.38 1.77 0.52 3.92 -4.23 -1.26 -2.00 115.64 115.74 3h88 s THR 72 Ca 0.52 -2.15 0.24 0.00 -1.18 0.00 0.00 61.69 59.11 3h88 s THR 72 Cb -0.21 -2.45 0.38 0.00 1.34 0.00 0.00 72.50 71.56 3h88 s THR 72 CO 0.25 -0.30 2.00 -0.26 -0.54 0.00 0.00 174.62 175.77 3h88 h PHE 73 N 2.25 0.04 0.00 3.99 0.04 -1.88 -0.78 116.94 120.60 3h88 h PHE 73 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 3h88 h PHE 73 Cb 1.24 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3h88 h PHE 73 CO 0.70 0.02 0.00 0.72 -0.60 0.00 0.00 178.31 179.14 3h88 n HIS 74 N -4.40 0.68 1.66 -0.55 8.25 -1.26 -2.56 115.22 117.04 3h88 n HIS 74 Ca 0.09 0.27 0.13 0.00 -0.26 0.00 0.00 57.72 57.95 3h88 n HIS 74 Cb 0.56 -0.93 0.79 0.00 1.12 0.00 0.00 29.99 31.53 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 -2.12 0.00 -4.09 0.41 8.00 -0.30 -4.71 116.55 113.74 3h88 n ASP 75 Ca 0.02 -0.79 -0.25 0.00 0.71 0.00 0.00 54.79 54.48 3h88 n ASP 75 Cb 0.22 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.04 1.59 -0.07 1.24 0.08 -1.06 -1.02 117.98 116.70 3h88 s PHE 76 Ca 0.39 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.95 3h88 s PHE 76 Cb 0.19 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 3h88 s PHE 76 CO 0.32 -0.21 -0.12 0.99 -0.10 0.00 0.00 175.22 176.09 3h88 s THR 77 N 0.30 1.15 -0.16 0.64 2.01 -0.44 -4.77 115.64 114.36 3h88 s THR 77 Ca -0.09 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 3h88 s THR 77 Cb -0.13 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3h88 s THR 77 CO 0.03 0.36 0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 3h88 s ILE 78 N 0.77 4.98 0.20 1.82 1.09 -1.26 -1.40 121.20 127.40 3h88 s ILE 78 Ca -0.13 0.03 0.03 0.00 -1.10 0.00 0.00 60.65 59.48 3h88 s ILE 78 Cb -0.16 -3.21 -0.01 0.00 -1.06 0.00 0.00 42.46 38.02 3h88 s ILE 78 CO 0.03 0.51 0.11 -1.54 -0.10 0.00 0.00 174.94 173.95 3h88 n SER 79 N 2.98 0.41 -4.09 3.58 3.41 -0.40 -4.96 113.62 114.55 3h88 n SER 79 Ca -0.18 -2.16 -0.08 0.00 -0.26 0.00 0.00 58.87 56.20 3h88 n SER 79 Cb 0.53 0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 65.08 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 -2.53 0.56 0.68 7.33 3.76 -1.26 -0.11 115.29 123.73 3h88 s HIS 80 Ca 0.16 -0.98 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 3h88 s HIS 80 Cb 0.01 -0.39 0.12 0.00 1.11 0.00 0.00 32.58 33.43 3h88 s HIS 80 CO 0.11 -0.32 0.94 0.16 -0.85 0.00 0.00 174.74 174.78 3h88 s ASP 81 N -2.78 4.55 0.53 1.40 1.47 -0.33 -4.92 116.67 116.59 3h88 s ASP 81 Ca 0.05 -0.66 0.22 0.00 1.18 0.00 0.00 52.55 53.34 3h88 s ASP 81 Cb 0.06 0.30 1.35 0.00 -0.34 0.00 0.00 42.92 44.28 3h88 s ASP 81 CO -0.08 -1.74 2.05 0.11 0.68 0.00 0.00 175.17 176.19 3h88 h LYS 82 N -0.30 0.01 -0.01 2.11 1.57 -2.02 -1.11 116.57 116.81 3h88 h LYS 82 Ca -0.32 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3h88 h LYS 82 Cb 1.27 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3h88 h LYS 82 CO 0.38 0.00 -0.07 1.28 -0.57 0.00 0.00 179.45 180.48 3h88 n LEU 83 N -4.44 1.33 0.00 2.94 4.77 -1.26 -4.93 117.00 115.41 3h88 n LEU 83 Ca 0.05 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3h88 n LEU 83 Cb 0.42 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3h88 n LEU 83 CO 0.36 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3h88 n GLY 84 N 1.22 0.20 3.75 -0.72 0.00 -0.42 -5.07 105.19 104.14 3h88 n GLY 84 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.93 4.14 0.35 1.61 2.20 -1.26 -4.68 119.74 121.18 3h88 s LYS 85 Ca 0.00 2.54 -0.23 0.00 -0.36 0.00 0.00 55.97 57.93 3h88 s LYS 85 Cb 0.00 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 33.18 3h88 s LYS 85 CO 0.00 -0.62 0.91 -1.25 -0.36 0.00 0.00 175.35 174.03 3h88 s PRO 86 N -0.31 4.38 0.06 4.03 0.04 -1.26 -1.19 135.00 140.75 3h88 s PRO 86 Ca 0.64 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.90 3h88 s PRO 86 Cb -0.47 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 3h88 s PRO 86 CO 0.46 0.17 -0.17 -0.51 0.04 0.00 0.00 177.00 176.98 3h88 s LEU 87 N -2.53 2.22 -0.12 -3.56 1.43 0.85 -4.61 118.68 112.36 3h88 s LEU 87 Ca 0.54 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 3h88 s LEU 87 Cb -0.14 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.34 3h88 s LEU 87 CO 0.19 0.05 -0.21 -0.22 0.23 0.00 0.00 176.35 176.38 3h88 s LEU 88 N -1.46 2.20 -0.09 1.79 2.96 -1.26 -1.28 118.68 121.54 3h88 s LEU 88 Ca 0.03 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 3h88 s LEU 88 Cb -0.09 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.15 3h88 s LEU 88 CO 0.02 0.13 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.35 3h88 s ILE 89 N 0.54 1.77 0.36 6.68 1.09 -0.49 -4.94 121.20 126.21 3h88 s ILE 89 Ca -0.13 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 58.59 3h88 s ILE 89 Cb -0.17 -1.55 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 3h88 s ILE 89 CO 0.04 0.50 0.55 -0.76 -0.10 0.00 0.00 174.94 175.17 3h88 s LEU 90 N 0.51 3.95 0.00 2.97 1.02 -1.26 -1.33 118.68 124.54 3h88 s LEU 90 Ca -0.16 0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.16 3h88 s LEU 90 Cb -0.17 -3.15 0.05 0.00 0.02 0.00 0.00 46.19 42.93 3h88 s LEU 90 CO 0.06 -0.39 0.67 -1.54 0.02 0.00 0.00 176.35 175.16 3h88 n SER 91 N -1.81 -1.94 0.00 2.29 3.41 -0.19 -4.72 113.62 110.66 3h88 n SER 91 Ca -0.03 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 3h88 n SER 91 Cb 0.57 3.27 0.00 0.00 -0.26 0.00 0.00 64.21 67.78 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 -0.48 1.18 0.35 5.00 0.00 -1.26 -1.51 105.19 108.46 3h88 n GLY 92 Ca -0.07 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 0.75 -0.43 1.61 5.75 -1.94 -1.60 115.11 119.24 3h88 h GLN 93 Ca 0.00 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3h88 h GLN 93 Cb 0.00 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 3h88 h GLN 93 CO 0.00 0.50 0.21 0.00 -2.65 0.00 0.00 178.83 176.88 3h88 h ALA 94 N 1.61 0.54 -0.70 3.38 0.00 -1.80 0.71 119.26 123.00 3h88 h ALA 94 Ca 0.29 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3h88 h ALA 94 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3h88 h ALA 94 CO -0.09 -0.15 0.21 0.00 0.00 0.00 0.00 179.25 179.22 3h88 h ALA 95 N 1.24 1.05 -0.05 0.00 0.00 -0.47 0.10 119.26 121.13 3h88 h ALA 95 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 95 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h88 h ALA 95 CO -0.14 0.64 -0.01 0.93 0.00 0.00 0.00 179.25 180.67 3h88 h GLU 96 N 1.04 0.00 -0.59 0.00 4.39 -0.69 -0.98 114.58 117.76 3h88 h GLU 96 Ca 0.23 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.87 3h88 h GLU 96 Cb 0.31 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3h88 h GLU 96 CO -0.01 0.00 0.15 -0.07 -1.16 0.00 0.00 179.01 177.93 3h88 h LEU 97 N 0.01 0.89 -1.30 1.33 3.38 -0.76 -2.45 115.31 116.40 3h88 h LEU 97 Ca 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3h88 h LEU 97 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3h88 h LEU 97 CO -0.05 0.89 0.36 0.00 0.09 0.00 0.00 178.44 179.73 3h88 h ALA 98 N 1.04 1.47 -0.04 1.53 0.00 -0.52 -1.69 119.26 121.06 3h88 h ALA 98 Ca 0.19 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 98 Cb 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h88 h ALA 98 CO 0.00 0.45 -0.87 0.66 0.00 0.00 0.00 179.25 179.49 3h88 h SER 99 N 0.85 0.57 0.39 0.00 4.64 -1.08 0.19 113.55 119.12 3h88 h SER 99 Ca 0.22 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3h88 h SER 99 Cb -0.02 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3h88 h SER 99 CO -0.04 1.21 -0.09 1.56 -0.87 0.00 0.00 176.83 178.60 3h88 h GLN 100 N 0.28 0.00 -0.02 4.77 4.20 -1.00 0.28 115.11 123.63 3h88 h GLN 100 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3h88 h GLN 100 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 3h88 h GLN 100 CO 0.15 0.09 -0.16 1.28 -0.67 0.00 0.00 178.83 179.53 3h88 n LEU 101 N -3.52 2.01 -2.73 1.46 4.77 -0.68 -4.98 117.00 113.33 3h88 n LEU 101 Ca -0.02 -0.67 -0.17 0.00 -0.03 0.00 0.00 56.01 55.12 3h88 n LEU 101 Cb 0.22 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3h88 n LEU 101 CO 0.29 0.35 0.17 0.00 -1.33 0.00 0.00 177.39 176.87 3h88 n GLN 102 N 0.35 -5.70 -2.30 3.23 6.02 0.09 -4.90 117.38 114.17 3h88 n GLN 102 Ca 0.14 0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 57.31 3h88 n GLN 102 Cb 0.46 -4.94 -0.03 0.00 1.02 0.00 0.00 30.24 26.75 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 -3.23 3.52 0.00 5.09 1.01 0.55 -4.29 120.40 123.04 3h88 s VAL 103 Ca 0.40 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3h88 s VAL 103 Cb -0.17 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3h88 s VAL 103 CO 0.53 0.14 0.00 -0.62 0.00 0.00 0.00 175.10 175.15 3h88 n GLU 104 N 3.15 2.80 -5.05 2.72 1.02 0.64 -4.79 120.64 121.13 3h88 n GLU 104 Ca 0.07 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 3h88 n GLU 104 Cb 0.44 -0.70 -0.16 0.00 -0.02 0.00 0.00 31.44 31.00 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3h88 s ASN 105 N -1.06 2.57 -0.05 1.62 0.02 -0.83 -5.02 114.94 112.19 3h88 s ASN 105 Ca 0.00 -0.42 0.01 0.00 -1.02 0.00 0.00 52.86 51.43 3h88 s ASN 105 Cb 0.00 -0.58 0.02 0.00 0.02 0.00 0.00 41.25 40.71 3h88 s ASN 105 CO 0.00 0.22 -0.04 -0.63 0.02 0.00 0.00 177.10 176.66 3h88 s ILE 106 N -0.20 0.57 -0.05 0.60 1.01 -1.26 -0.97 121.20 120.89 3h88 s ILE 106 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.59 3h88 s ILE 106 Cb -0.11 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3h88 s ILE 106 CO 0.02 0.24 -0.22 -1.00 0.00 0.00 0.00 174.94 173.98 3h88 s HIS 107 N 1.07 2.20 -0.02 3.97 3.76 -0.19 -4.79 115.29 121.28 3h88 s HIS 107 Ca -0.09 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.18 3h88 s HIS 107 Cb -0.14 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3h88 s HIS 107 CO -0.01 -0.21 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.46 3h88 s LEU 108 N -0.07 1.59 0.05 0.89 2.96 -1.26 -0.90 118.68 121.94 3h88 s LEU 108 Ca -0.04 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3h88 s LEU 108 Cb -0.13 -0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 3h88 s LEU 108 CO 0.03 -0.01 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.39 3h88 s SER 109 N 0.49 1.40 0.03 3.68 0.15 -0.37 -4.65 113.70 114.43 3h88 s SER 109 Ca -0.06 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.08 3h88 s SER 109 Cb -0.09 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 3h88 s SER 109 CO -0.00 -0.08 -0.09 -0.63 1.20 0.00 0.00 173.24 173.63 3h88 s ILE 110 N -1.16 0.69 0.02 6.45 1.01 -1.26 -1.18 121.20 125.77 3h88 s ILE 110 Ca -0.03 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 3h88 s ILE 110 Cb -0.09 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.70 3h88 s ILE 110 CO 0.01 -0.16 0.21 -0.55 0.00 0.00 0.00 174.94 174.45 3h88 s SER 111 N -1.16 -0.02 0.01 3.58 0.15 -1.26 -5.00 113.70 110.00 3h88 s SER 111 Ca -0.04 -0.25 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 3h88 s SER 111 Cb -0.08 0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 64.52 3h88 s SER 111 CO 0.01 -0.51 0.13 1.51 1.20 0.00 0.00 173.24 175.57 3h88 s ASP 112 N -1.83 0.05 0.00 5.45 -4.77 -1.26 -4.43 116.67 109.88 3h88 s ASP 112 Ca -0.08 -0.27 0.00 0.00 -3.30 0.00 0.00 52.55 48.90 3h88 s ASP 112 Cb -0.03 0.21 0.00 0.00 -1.09 0.00 0.00 42.92 42.01 3h88 s ASP 112 CO -0.01 -0.40 0.00 -1.84 0.70 0.00 0.00 175.17 173.62 3h88 n GLU 113 N 1.33 2.92 -0.19 2.11 -0.00 0.24 -4.99 120.64 122.05 3h88 n GLU 113 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 56.92 3h88 n GLU 113 Cb 0.56 0.00 0.08 0.00 -0.00 0.00 0.00 31.44 32.08 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h88 h ARG 114 N 0.00 0.44 0.00 3.44 3.08 -2.04 -3.26 114.38 116.05 3h88 h ARG 114 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3h88 h ARG 114 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3h88 h ARG 114 CO 0.00 0.29 -1.84 0.72 -1.07 0.00 0.00 179.97 178.07 3h88 n HIS 115 N -4.94 0.00 -4.25 3.04 8.25 -1.26 -4.88 115.22 111.18 3h88 n HIS 115 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.36 3h88 n HIS 115 Cb 0.21 -0.45 -0.13 0.00 1.12 0.00 0.00 29.99 30.73 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 -3.12 0.84 0.50 4.41 2.02 -1.23 -1.15 117.35 119.63 3h88 s TYR 116 Ca -0.07 -0.28 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 3h88 s TYR 116 Cb 0.10 -0.52 -0.00 0.00 -0.40 0.00 0.00 41.96 41.14 3h88 s TYR 116 CO 0.72 -0.01 0.17 0.00 -1.57 0.00 0.00 175.55 174.86 3h88 s ALA 117 N -0.67 4.10 -0.23 3.71 0.00 -0.57 -0.60 121.76 127.50 3h88 s ALA 117 Ca -0.01 -1.06 -0.32 0.00 0.00 0.00 0.00 51.96 50.57 3h88 s ALA 117 Cb -0.06 -0.30 0.16 0.00 0.00 0.00 0.00 23.12 22.92 3h88 s ALA 117 CO 0.00 -0.20 1.23 0.00 0.00 0.00 0.00 175.76 176.80 3h88 s ALA 119 N -2.79 -2.07 0.02 0.00 0.00 -0.81 -0.45 121.76 115.67 3h88 s ALA 119 Ca 0.23 1.73 0.04 0.00 0.00 0.00 0.00 51.96 53.95 3h88 s ALA 119 Cb 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3h88 s ALA 119 CO 0.13 -0.40 -0.12 0.99 0.00 0.00 0.00 175.76 176.37 3h88 s THR 120 N -1.60 0.91 -0.05 0.00 2.01 -0.33 -1.73 115.64 114.86 3h88 s THR 120 Ca 0.07 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.30 3h88 s THR 120 Cb -0.01 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.69 3h88 s THR 120 CO -0.05 0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.12 3h88 s VAL 121 N -0.69 0.94 -0.07 3.82 1.01 -0.33 -1.24 120.40 123.85 3h88 s VAL 121 Ca 0.01 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3h88 s VAL 121 Cb -0.07 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 3h88 s VAL 121 CO 0.01 0.30 -0.20 -0.63 0.00 0.00 0.00 175.10 174.58 3h88 s ILE 122 N 0.54 1.73 -0.15 2.22 1.01 -0.08 -1.43 121.20 125.04 3h88 s ILE 122 Ca -0.10 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3h88 s ILE 122 Cb -0.13 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3h88 s ILE 122 CO 0.02 0.49 0.06 -0.76 0.00 0.00 0.00 174.94 174.75 3h88 s LEU 123 N 0.17 3.85 0.02 2.97 1.43 -0.43 -1.02 118.68 125.66 3h88 s LEU 123 Ca -0.10 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 3h88 s LEU 123 Cb -0.15 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3h88 s LEU 123 CO 0.05 0.25 -0.11 -0.70 0.23 0.00 0.00 176.35 176.08 3h88 s GLU 124 N -0.11 0.76 0.00 1.70 2.12 -0.14 -0.39 118.70 122.64 3h88 s GLU 124 Ca 0.07 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 54.91 3h88 s GLU 124 Cb -0.12 -0.72 0.04 0.00 0.26 0.00 0.00 34.13 33.59 3h88 s GLU 124 CO 0.01 0.18 0.68 2.89 -0.54 0.00 0.00 175.26 178.48