#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e8p s ASN 13 N 0.00 1.29 0.21 4.04 4.22 -1.26 -4.74 114.94 118.70 3e8p s ASN 13 Ca 0.00 1.06 -0.10 0.00 -2.14 0.00 0.00 52.86 51.68 3e8p s ASN 13 Cb 0.00 -1.61 0.22 0.00 1.28 0.00 0.00 41.25 41.13 3e8p s ASN 13 CO 0.00 -3.94 1.83 1.55 -2.04 0.00 0.00 177.10 174.50 3e8p h PRO 14 N -2.45 0.77 0.26 3.55 0.13 -2.03 -2.65 132.00 129.58 3e8p h PRO 14 Ca -0.53 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 3e8p h PRO 14 Cb 1.33 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3e8p h PRO 14 CO 0.47 0.51 -0.14 0.82 -0.23 0.00 0.00 178.00 179.43 3e8p h ILE 15 N 0.79 0.71 -0.19 -3.56 5.03 -1.94 -0.76 117.51 117.60 3e8p h ILE 15 Ca 0.29 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 65.08 3e8p h ILE 15 Cb 0.10 0.71 -0.06 0.00 -3.03 0.00 0.00 36.82 34.54 3e8p h ILE 15 CO -0.14 0.00 -0.17 1.56 -0.68 0.00 0.00 178.15 178.72 3e8p h GLN 16 N -0.37 -0.17 0.00 2.37 4.20 -1.91 -1.23 115.11 118.00 3e8p h GLN 16 Ca -0.03 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3e8p h GLN 16 Cb 0.30 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3e8p h GLN 16 CO 0.04 -0.12 -0.17 0.00 -0.67 0.00 0.00 178.83 177.92 3e8p h ALA 17 N 0.92 1.44 -0.03 3.87 0.00 -1.40 -1.90 119.26 122.16 3e8p h ALA 17 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3e8p h ALA 17 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3e8p h ALA 17 CO -0.29 0.21 -0.14 1.49 0.00 0.00 0.00 179.25 180.52 3e8p h GLU 18 N 0.00 0.14 -0.42 0.00 4.22 -0.09 -2.18 114.58 116.25 3e8p h GLU 18 Ca -0.00 -0.12 -0.07 0.00 0.08 0.00 0.00 59.36 59.25 3e8p h GLU 18 Cb 0.36 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3e8p h GLU 18 CO 0.02 0.78 -0.02 -0.39 -2.18 0.00 0.00 179.01 177.22 3e8p h VAL 19 N -0.46 1.23 -0.23 0.32 -1.51 -1.11 -1.66 116.25 112.84 3e8p h VAL 19 Ca -0.01 -0.97 -0.02 0.00 -1.23 0.00 0.00 66.70 64.48 3e8p h VAL 19 Cb 0.80 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 3e8p h VAL 19 CO 0.03 0.34 0.08 -0.07 -1.23 0.00 0.00 177.57 176.71 3e8p h LEU 20 N 0.65 0.33 -1.16 4.19 3.38 -1.39 0.25 115.31 121.57 3e8p h LEU 20 Ca 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3e8p h LEU 20 Cb 0.44 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3e8p h LEU 20 CO 0.02 0.43 0.30 0.50 0.09 0.00 0.00 178.44 179.78 3e8p h LYS 21 N 0.21 0.89 -0.18 1.13 3.64 -1.15 0.13 116.57 121.23 3e8p h LYS 21 Ca 0.08 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3e8p h LYS 21 Cb 0.21 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3e8p h LYS 21 CO -0.00 0.69 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.74 3e8p h ARG 22 N 0.89 0.35 -0.80 1.90 9.65 -0.92 -2.43 114.38 123.01 3e8p h ARG 22 Ca 0.22 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3e8p h ARG 22 Cb 0.09 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.61 3e8p h ARG 22 CO -0.03 0.60 0.35 0.28 2.80 0.00 0.00 179.97 183.98 3e8p h VAL 23 N 0.07 1.26 -0.81 0.20 2.07 0.01 -2.30 116.25 116.73 3e8p h VAL 23 Ca 0.05 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3e8p h VAL 23 Cb 0.47 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3e8p h VAL 23 CO 0.02 0.32 0.45 0.00 0.02 0.00 0.00 177.57 178.38 3e8p h ALA 24 N 1.19 1.26 -0.36 1.67 0.00 -0.70 -2.48 119.26 119.84 3e8p h ALA 24 Ca 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3e8p h ALA 24 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3e8p h ALA 24 CO -0.03 0.60 0.07 1.49 0.00 0.00 0.00 179.25 181.39 3e8p h GLU 25 N 1.13 0.58 -0.16 0.00 4.22 -1.02 -1.62 114.58 117.72 3e8p h GLU 25 Ca 0.29 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 3e8p h GLU 25 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3e8p h GLU 25 CO -0.05 0.64 0.10 0.28 -2.18 0.00 0.00 179.01 177.80 3e8p h VAL 26 N 0.43 1.08 -0.04 0.32 2.07 -1.17 -2.06 116.25 116.87 3e8p h VAL 26 Ca 0.11 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3e8p h VAL 26 Cb 0.33 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3e8p h VAL 26 CO 0.00 0.07 -0.38 -0.26 0.02 0.00 0.00 177.57 177.03 3e8p h PHE 27 N 0.19 0.08 0.00 1.57 -1.00 -1.42 0.18 116.94 116.54 3e8p h PHE 27 Ca 0.06 -0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.65 3e8p h PHE 27 Cb 0.03 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3e8p h PHE 27 CO -0.05 0.44 -0.82 0.22 -1.61 0.00 0.00 178.31 176.50 3e8p h ASP 28 N 0.06 0.00 0.00 2.17 3.58 -1.12 -3.41 116.42 117.70 3e8p h ASP 28 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3e8p h ASP 28 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 3e8p h ASP 28 CO 0.05 0.77 -0.49 0.00 -2.88 0.00 0.00 179.24 176.70 3e8p n GLN 29 N -3.27 2.20 -1.22 0.28 1.13 -0.79 -4.87 117.38 110.83 3e8p n GLN 29 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 3e8p n GLN 29 Cb 0.85 -0.74 0.16 0.00 0.11 0.00 0.00 30.24 30.61 3e8p n GLN 29 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3e8p n HIS 30 N -1.12 2.86 -3.86 1.08 8.25 0.62 -4.79 115.22 118.25 3e8p n HIS 30 Ca 0.00 -2.10 -0.30 0.00 -0.26 0.00 0.00 57.72 55.06 3e8p n HIS 30 Cb 0.19 -0.99 -0.15 0.00 1.12 0.00 0.00 29.99 30.16 3e8p n HIS 30 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3e8p s VAL 31 N -3.68 1.39 0.27 1.59 1.01 -1.18 -4.87 120.40 114.93 3e8p s VAL 31 Ca 0.57 -1.56 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 3e8p s VAL 31 Cb 0.48 -1.93 0.34 0.00 0.00 0.00 0.00 36.38 35.27 3e8p s VAL 31 CO 0.07 -0.49 1.61 -0.65 0.00 0.00 0.00 175.10 175.64 3e8p h PRO 32 N 7.94 0.07 0.00 2.72 0.11 -1.94 -0.43 132.00 140.46 3e8p h PRO 32 Ca -0.12 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.92 3e8p h PRO 32 Cb 1.04 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3e8p h PRO 32 CO 0.46 0.04 -0.32 0.35 -0.21 0.00 0.00 178.00 178.33 3e8p h PHE 33 N 0.07 0.00 -0.04 0.65 3.57 -1.99 -1.16 116.94 118.05 3e8p h PHE 33 Ca 0.49 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.80 3e8p h PHE 33 Cb 0.90 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3e8p h PHE 33 CO -0.48 0.32 -0.79 0.45 -2.23 0.00 0.00 178.31 175.59 3e8p h HIS 34 N 0.00 0.41 0.00 0.41 3.86 -1.45 -2.59 115.15 115.78 3e8p h HIS 34 Ca -0.00 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 58.92 3e8p h HIS 34 Cb 0.60 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 3e8p h HIS 34 CO 0.00 0.96 -0.41 -0.91 0.86 0.00 0.00 177.93 178.43 3e8p h ASN 35 N 0.18 0.00 0.15 2.45 2.35 -0.87 0.53 115.58 120.37 3e8p h ASN 35 Ca -0.04 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.48 3e8p h ASN 35 Cb 1.37 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.75 3e8p h ASN 35 CO 0.13 0.41 -0.91 0.25 -1.65 0.00 0.00 177.43 175.66 3e8p h LEU 36 N 0.00 0.70 0.04 1.61 5.85 -1.08 -3.31 115.31 119.12 3e8p h LEU 36 Ca -0.00 -0.53 -0.28 0.00 0.84 0.00 0.00 57.88 57.90 3e8p h LEU 36 Cb 1.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3e8p h LEU 36 CO 0.05 1.32 -1.55 -0.07 -0.34 0.00 0.00 178.44 177.86 3e8p h LEU 37 N 0.34 0.13 0.00 2.25 4.07 -1.36 -3.48 115.31 117.25 3e8p h LEU 37 Ca -0.08 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3e8p h LEU 37 Cb 1.54 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.24 3e8p h LEU 37 CO 0.17 1.18 0.00 0.61 -1.08 0.00 0.00 178.44 179.32 3e8p n GLY 38 N 1.58 1.37 3.70 0.83 0.00 0.17 -4.89 105.19 107.95 3e8p n GLY 38 Ca -0.15 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3e8p n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3e8p s LEU 39 N 0.00 4.34 -0.02 0.99 0.20 -0.12 -4.44 118.68 119.63 3e8p s LEU 39 Ca 0.00 2.16 0.08 0.00 0.69 0.00 0.00 54.13 57.06 3e8p s LEU 39 Cb 0.00 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.17 3e8p s LEU 39 CO 0.00 -0.65 -0.26 -1.81 -0.29 0.00 0.00 176.35 173.34 3e8p s ASP 40 N 1.46 3.07 -0.83 3.68 -0.00 0.13 -4.77 116.67 119.41 3e8p s ASP 40 Ca 0.63 -0.47 -0.17 0.00 -0.00 0.00 0.00 52.55 52.54 3e8p s ASP 40 Cb -0.33 -0.35 0.17 0.00 -0.00 0.00 0.00 42.92 42.41 3e8p s ASP 40 CO 0.28 0.32 0.90 -0.63 -0.00 0.00 0.00 175.17 176.04 3e8p s ILE 41 N -0.62 5.13 0.14 0.77 1.09 -1.26 -0.74 121.20 125.70 3e8p s ILE 41 Ca 0.10 -1.88 -0.18 0.00 -1.10 0.00 0.00 60.65 57.60 3e8p s ILE 41 Cb -0.10 -4.60 -0.01 0.00 -1.06 0.00 0.00 42.46 36.69 3e8p s ILE 41 CO -0.01 -1.24 1.77 0.50 -0.10 0.00 0.00 174.94 175.86 3e8p h LYS 42 N 8.43 0.30 -2.87 2.79 3.64 -1.61 -3.45 116.57 123.79 3e8p h LYS 42 Ca 0.06 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3e8p h LYS 42 Cb 1.04 -0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.58 3e8p h LYS 42 CO 0.95 0.20 -0.24 1.03 -2.27 0.00 0.00 179.45 179.12 3e8p s ARG 43 N -6.17 0.61 -0.26 1.90 0.52 -1.17 -5.01 118.95 109.37 3e8p s ARG 43 Ca -0.13 0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 3e8p s ARG 43 Cb 0.10 0.28 0.15 0.00 0.52 0.00 0.00 34.95 36.00 3e8p s ARG 43 CO 0.70 -0.14 0.43 -0.47 0.02 0.00 0.00 175.30 175.84 3e8p s TYR 44 N -0.70 -1.02 0.14 -0.53 5.04 -1.26 -1.41 117.35 117.62 3e8p s TYR 44 Ca -0.08 0.90 0.03 0.00 -2.44 0.00 0.00 57.07 55.48 3e8p s TYR 44 Cb -0.04 0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.35 3e8p s TYR 44 CO 0.03 -0.80 0.11 -0.40 -1.34 0.00 0.00 175.55 173.15 3e8p n ASP 45 N 5.38 -0.10 0.19 4.32 5.68 -0.98 -4.75 116.55 126.29 3e8p n ASP 45 Ca -0.02 -1.88 0.14 0.00 -0.50 0.00 0.00 54.79 52.52 3e8p n ASP 45 Cb 0.50 0.64 0.67 0.00 -1.14 0.00 0.00 41.12 41.79 3e8p n ASP 45 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3e8p h ILE 46 N 1.41 0.00 -0.03 2.12 3.07 -1.96 -2.56 117.51 119.57 3e8p h ILE 46 Ca -0.10 -0.10 -0.04 0.00 1.55 0.00 0.00 64.86 66.17 3e8p h ILE 46 Cb 0.48 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 3e8p h ILE 46 CO 0.15 0.00 -0.12 0.44 -1.05 0.00 0.00 178.15 177.56 3e8p h ASP 47 N 0.00 0.15 0.00 2.16 3.45 -1.96 -3.45 116.42 116.78 3e8p h ASP 47 Ca 0.00 -0.66 0.00 0.00 0.43 0.00 0.00 57.03 56.80 3e8p h ASP 47 Cb 0.14 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3e8p h ASP 47 CO 0.00 0.79 0.00 0.61 -1.57 0.00 0.00 179.24 179.07 3e8p n GLY 48 N 0.71 -0.78 3.05 2.75 0.00 -0.96 -4.99 105.19 104.97 3e8p n GLY 48 Ca -0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3e8p n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e8p s VAL 49 N -4.00 0.12 -0.12 1.61 0.11 -1.26 -2.31 120.40 114.55 3e8p s VAL 49 Ca 0.00 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 3e8p s VAL 49 Cb 0.00 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3e8p s VAL 49 CO 0.00 -0.53 -0.10 -0.70 -3.33 0.00 0.00 175.10 170.44 3e8p s GLU 50 N -1.86 1.78 -0.06 1.54 2.12 -0.50 -4.27 118.70 117.45 3e8p s GLU 50 Ca -0.12 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 54.89 3e8p s GLU 50 Cb -0.06 -1.72 -0.02 0.00 0.26 0.00 0.00 34.13 32.58 3e8p s GLU 50 CO -0.02 -0.22 -0.17 0.08 -0.54 0.00 0.00 175.26 174.39 3e8p s VAL 51 N 1.52 2.81 0.07 3.70 1.01 -0.32 -1.49 120.40 127.69 3e8p s VAL 51 Ca 0.03 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3e8p s VAL 51 Cb -0.13 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3e8p s VAL 51 CO -0.07 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.51 3e8p s ALA 52 N -0.46 0.84 -0.20 5.51 0.00 0.08 0.62 121.76 128.15 3e8p s ALA 52 Ca 0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 3e8p s ALA 52 Cb -0.12 0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.12 3e8p s ALA 52 CO 0.02 -0.02 0.44 -1.50 0.00 0.00 0.00 175.76 174.70 3e8p s ILE 53 N -1.90 -0.46 0.00 0.00 2.07 -0.35 0.18 121.20 120.74 3e8p s ILE 53 Ca -0.02 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 3e8p s ILE 53 Cb -0.06 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.84 3e8p s ILE 53 CO -0.00 0.05 0.00 0.59 -1.91 0.00 0.00 174.94 173.67 3e8p n ASN 54 N 5.02 0.00 0.00 4.50 3.02 -1.26 -1.44 115.26 125.10 3e8p n ASN 54 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3e8p n ASN 54 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3e8p n ASN 54 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3e8p n LYS 56 N 0.00 0.00 -0.32 3.52 2.85 -1.26 -4.92 118.16 118.03 3e8p n LYS 56 Ca 0.00 0.00 0.20 0.00 -1.05 0.00 0.00 58.31 57.46 3e8p n LYS 56 Cb 0.00 0.00 0.40 0.00 -0.65 0.00 0.00 35.03 34.78 3e8p n LYS 56 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3e8p h PRO 57 N 0.00 0.16 0.00 -1.58 0.11 -2.02 -0.32 132.00 128.35 3e8p h PRO 57 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3e8p h PRO 57 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3e8p h PRO 57 CO 0.00 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 178.29 3e8p n GLU 58 N -5.23 0.13 -0.04 1.05 4.71 -1.26 -2.40 120.64 117.61 3e8p n GLU 58 Ca 0.28 0.55 0.12 0.00 -0.01 0.00 0.00 57.16 58.10 3e8p n GLU 58 Cb 0.90 -1.86 0.19 0.00 -1.01 0.00 0.00 31.44 29.67 3e8p n GLU 58 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3e8p n LEU 59 N -2.12 2.82 -4.75 -4.62 4.77 -0.13 -4.98 117.00 108.00 3e8p n LEU 59 Ca -0.00 -1.00 -0.41 0.00 -0.03 0.00 0.00 56.01 54.57 3e8p n LEU 59 Cb 0.09 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3e8p n LEU 59 CO 0.11 0.50 0.77 -0.63 -1.33 0.00 0.00 177.39 176.81 3e8p s ILE 60 N -1.91 3.74 -0.22 -0.08 1.01 -1.01 -1.68 121.20 121.06 3e8p s ILE 60 Ca 0.31 1.63 -0.16 0.00 0.00 0.00 0.00 60.65 62.44 3e8p s ILE 60 Cb 0.21 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 3e8p s ILE 60 CO 0.31 0.34 -0.25 0.61 0.00 0.00 0.00 174.94 175.94 3e8p n GLY 61 N 1.62 -0.59 3.29 6.18 0.00 0.01 -4.63 105.19 111.09 3e8p n GLY 61 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3e8p n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3e8p s ASN 62 N -6.73 4.85 0.17 1.61 3.84 -1.24 -4.97 114.94 112.47 3e8p s ASN 62 Ca -0.32 -0.76 -0.14 0.00 0.21 0.00 0.00 52.86 51.85 3e8p s ASN 62 Cb 0.09 -1.81 0.10 0.00 -0.55 0.00 0.00 41.25 39.08 3e8p s ASN 62 CO 0.46 -0.17 1.78 0.40 -2.79 0.00 0.00 177.10 176.78 3e8p h ILE 63 N 5.96 0.96 0.19 -5.21 2.04 -1.90 0.52 117.51 120.07 3e8p h ILE 63 Ca -0.32 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3e8p h ILE 63 Cb 1.12 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3e8p h ILE 63 CO 0.59 0.08 -0.09 -0.74 0.00 0.00 0.00 178.15 177.99 3e8p h HIS 64 N 0.43 -0.24 0.00 1.37 2.76 -2.00 -3.06 115.15 114.41 3e8p h HIS 64 Ca 0.19 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3e8p h HIS 64 Cb 0.11 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.15 3e8p h HIS 64 CO -0.11 -0.05 0.00 1.04 -1.30 0.00 0.00 177.93 177.51 3e8p n GLN 65 N -5.14 0.10 -3.79 5.26 1.13 -1.20 -4.93 117.38 108.81 3e8p n GLN 65 Ca -0.09 0.14 -0.24 0.00 -1.94 0.00 0.00 57.00 54.86 3e8p n GLN 65 Cb 0.17 -1.63 0.03 0.00 0.11 0.00 0.00 30.24 28.92 3e8p n GLN 65 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3e8p n GLN 66 N -1.80 -4.98 -4.05 -1.09 1.13 0.17 -4.96 117.38 101.80 3e8p n GLN 66 Ca 0.06 0.60 -0.29 0.00 -1.94 0.00 0.00 57.00 55.42 3e8p n GLN 66 Cb 0.34 -5.22 -0.06 0.00 0.11 0.00 0.00 30.24 25.40 3e8p n GLN 66 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3e8p s ILE 67 N -3.58 4.59 0.43 5.09 -4.36 -1.17 -4.66 121.20 117.55 3e8p s ILE 67 Ca 0.21 -0.84 -0.25 0.00 -0.26 0.00 0.00 60.65 59.50 3e8p s ILE 67 Cb -0.10 -3.26 -0.08 0.00 1.25 0.00 0.00 42.46 40.26 3e8p s ILE 67 CO 0.82 0.04 1.30 -0.22 0.24 0.00 0.00 174.94 177.13 3e8p s LEU 68 N -2.66 4.13 0.13 0.37 2.96 0.67 -0.81 118.68 123.48 3e8p s LEU 68 Ca 0.30 2.65 -0.30 0.00 -0.22 0.00 0.00 54.13 56.56 3e8p s LEU 68 Cb -0.11 -3.99 -0.07 0.00 0.50 0.00 0.00 46.19 42.51 3e8p s LEU 68 CO 0.23 -0.98 1.27 -2.28 -1.32 0.00 0.00 176.35 173.27 3e8p s HIS 69 N -1.30 3.36 0.58 5.38 5.65 -0.68 -4.42 115.29 123.86 3e8p s HIS 69 Ca 0.60 1.23 0.31 0.00 0.25 0.00 0.00 55.06 57.45 3e8p s HIS 69 Cb -0.38 -3.52 1.42 0.00 -1.18 0.00 0.00 32.58 28.92 3e8p s HIS 69 CO 0.48 -1.64 1.79 0.78 -0.65 0.00 0.00 174.74 175.49 3e8p h GLY 70 N 6.14 0.00 1.81 1.59 0.00 -1.92 0.21 103.07 110.90 3e8p h GLY 70 Ca -0.43 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3e8p h GLY 70 CO 0.80 0.00 -0.30 -1.33 0.00 0.00 0.00 176.54 175.71 3e8p h GLY 71 N 0.00 0.24 0.76 4.60 0.00 -1.97 -1.19 103.07 105.51 3e8p h GLY 71 Ca 0.36 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3e8p h GLY 71 CO -0.00 0.18 -0.19 -2.08 0.00 0.00 0.00 176.54 174.44 3e8p h VAL 72 N 0.20 1.35 -0.58 4.60 2.07 -0.94 -0.46 116.25 122.49 3e8p h VAL 72 Ca 0.03 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.20 3e8p h VAL 72 Cb 0.64 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 3e8p h VAL 72 CO 0.05 0.41 0.32 0.74 0.02 0.00 0.00 177.57 179.10 3e8p h THR 73 N 0.01 0.98 -0.53 2.57 2.02 -1.38 -0.39 112.91 116.19 3e8p h THR 73 Ca 0.02 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 3e8p h THR 73 Cb 0.75 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3e8p h THR 73 CO 0.05 0.11 0.05 0.00 0.37 0.00 0.00 175.52 176.09 3e8p h ALA 74 N 1.30 1.08 -0.19 6.16 0.00 -1.14 -1.68 119.26 124.79 3e8p h ALA 74 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3e8p h ALA 74 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3e8p h ALA 74 CO -0.16 0.59 0.08 1.15 0.00 0.00 0.00 179.25 180.91 3e8p h THR 75 N 0.82 1.15 -0.35 0.00 2.02 -0.15 -2.00 112.91 114.40 3e8p h THR 75 Ca 0.16 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3e8p h THR 75 Cb 0.42 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3e8p h THR 75 CO 0.01 0.15 0.13 0.58 0.37 0.00 0.00 175.52 176.76 3e8p h VAL 76 N 0.16 1.19 -0.79 3.16 2.07 -0.96 -2.29 116.25 118.79 3e8p h VAL 76 Ca 0.06 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3e8p h VAL 76 Cb 0.16 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3e8p h VAL 76 CO -0.01 0.21 0.45 -0.07 0.02 0.00 0.00 177.57 178.17 3e8p h LEU 77 N 0.42 0.97 -0.34 2.57 3.38 -1.25 -0.56 115.31 120.49 3e8p h LEU 77 Ca 0.12 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3e8p h LEU 77 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3e8p h LEU 77 CO -0.01 0.77 -0.08 -0.78 0.09 0.00 0.00 178.44 178.43 3e8p h ASP 78 N 1.10 0.66 -0.54 -0.43 -0.00 -1.21 -1.22 116.42 114.79 3e8p h ASP 78 Ca 0.28 -0.36 -0.06 0.00 -0.00 0.00 0.00 57.03 56.89 3e8p h ASP 78 Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.13 3e8p h ASP 78 CO -0.05 0.87 0.09 0.58 -0.00 0.00 0.00 179.24 180.74 3e8p h VAL 79 N 0.45 1.25 -0.54 2.25 2.07 -1.18 -0.36 116.25 120.18 3e8p h VAL 79 Ca 0.09 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3e8p h VAL 79 Cb 0.58 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3e8p h VAL 79 CO 0.03 0.34 0.34 0.58 0.02 0.00 0.00 177.57 178.89 3e8p h VAL 80 N 0.78 1.15 -0.80 2.57 2.07 -1.04 -1.98 116.25 118.99 3e8p h VAL 80 Ca 0.16 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3e8p h VAL 80 Cb 0.40 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3e8p h VAL 80 CO 0.01 0.15 0.40 1.23 0.02 0.00 0.00 177.57 179.38 3e8p h GLY 81 N 0.73 1.22 0.83 2.17 0.00 -0.82 -0.27 103.07 106.93 3e8p h GLY 81 Ca 0.20 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3e8p h GLY 81 CO -0.04 0.56 0.03 -1.33 0.00 0.00 0.00 176.54 175.76 3e8p h GLY 82 N 1.12 0.32 1.59 4.60 0.00 -0.80 -0.44 103.07 109.46 3e8p h GLY 82 Ca 0.28 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 3e8p h GLY 82 CO -0.04 0.20 -0.14 1.41 0.00 0.00 0.00 176.54 177.97 3e8p h LEU 83 N 0.09 0.48 -0.39 3.11 3.38 -1.26 -0.88 115.31 119.84 3e8p h LEU 83 Ca 0.05 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3e8p h LEU 83 Cb 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3e8p h LEU 83 CO 0.00 0.65 -0.03 0.74 0.09 0.00 0.00 178.44 179.89 3e8p h THR 84 N 0.46 1.27 -0.36 0.22 2.02 -0.90 -1.01 112.91 114.60 3e8p h THR 84 Ca 0.08 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 3e8p h THR 84 Cb 0.51 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3e8p h THR 84 CO 0.03 0.36 0.17 0.00 0.37 0.00 0.00 175.52 176.45 3e8p h ALA 85 N 0.86 0.46 -0.51 6.16 0.00 -0.71 -1.87 119.26 123.66 3e8p h ALA 85 Ca 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3e8p h ALA 85 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3e8p h ALA 85 CO 0.03 0.03 -0.00 0.35 0.00 0.00 0.00 179.25 179.65 3e8p h PHE 86 N 0.44 0.92 -0.60 0.00 3.57 -1.04 -2.24 116.94 117.98 3e8p h PHE 86 Ca 0.12 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 3e8p h PHE 86 Cb 0.13 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3e8p h PHE 86 CO -0.01 0.84 0.01 0.00 -2.23 0.00 0.00 178.31 176.92 3e8p h ALA 87 N 1.20 0.87 0.00 2.41 0.00 -1.03 -0.52 119.26 122.19 3e8p h ALA 87 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3e8p h ALA 87 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3e8p h ALA 87 CO 0.02 0.66 -0.19 0.78 0.00 0.00 0.00 179.25 180.53 3e8p h GLY 88 N 1.00 0.00 0.55 0.00 0.00 -1.04 -1.26 103.07 102.33 3e8p h GLY 88 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 3e8p h GLY 88 CO 0.03 0.00 -0.43 -2.00 0.00 0.00 0.00 176.54 174.13 3e8p h LEU 89 N 0.00 0.34 -1.28 3.11 5.85 -0.84 -3.03 115.31 119.46 3e8p h LEU 89 Ca -0.00 -0.82 0.04 0.00 0.84 0.00 0.00 57.88 57.93 3e8p h LEU 89 Cb 0.40 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3e8p h LEU 89 CO 0.02 1.12 0.51 0.58 -0.34 0.00 0.00 178.44 180.34 3e8p h VAL 90 N -0.40 1.11 -0.00 1.05 2.07 -0.76 -2.12 116.25 117.19 3e8p h VAL 90 Ca -0.06 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3e8p h VAL 90 Cb 1.21 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3e8p h VAL 90 CO 0.08 0.17 -0.11 0.00 0.02 0.00 0.00 177.57 177.74 3e8p n ALA 91 N -2.42 2.71 0.91 1.67 0.00 -0.51 -3.86 120.51 119.02 3e8p n ALA 91 Ca 0.10 -0.23 0.14 0.00 0.00 0.00 0.00 53.44 53.45 3e8p n ALA 91 Cb 0.13 -1.37 0.54 0.00 0.00 0.00 0.00 19.45 18.75 3e8p n ALA 91 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3e8p n SER 92 N -1.14 0.22 -3.97 0.00 3.41 -0.80 -4.91 113.62 106.43 3e8p n SER 92 Ca 0.13 0.45 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 3e8p n SER 92 Cb 0.28 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 3e8p n SER 92 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3e8p s ARG 93 N -3.02 0.92 -0.04 4.33 0.52 -1.25 -5.05 118.95 115.35 3e8p s ARG 93 Ca 0.13 -1.14 0.08 0.00 -0.52 0.00 0.00 55.73 54.28 3e8p s ARG 93 Cb 0.17 0.32 -0.12 0.00 0.52 0.00 0.00 34.95 35.84 3e8p s ARG 93 CO 0.56 -0.29 0.12 -0.25 0.02 0.00 0.00 175.30 175.46 3e8p n ASP 94 N -0.09 3.02 0.00 0.23 8.00 -1.26 -4.53 116.55 121.93 3e8p n ASP 94 Ca -0.11 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.44 3e8p n ASP 94 Cb 0.63 1.09 0.32 0.00 -0.02 0.00 0.00 41.12 43.14 3e8p n ASP 94 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3e8p n ASP 95 N -2.02 0.00 -4.68 -2.24 9.92 -1.26 -4.84 116.55 111.43 3e8p n ASP 95 Ca -0.07 -1.07 -0.42 0.00 -0.53 0.00 0.00 54.79 52.70 3e8p n ASP 95 Cb 0.46 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 3e8p n ASP 95 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 3e8p s TRP 96 N -2.00 1.76 0.08 1.24 0.23 -1.26 -4.99 118.94 114.00 3e8p s TRP 96 Ca 0.16 -0.22 0.01 0.00 -2.03 0.00 0.00 56.10 54.02 3e8p s TRP 96 Cb 0.08 -4.21 -0.04 0.00 0.03 0.00 0.00 33.47 29.32 3e8p s TRP 96 CO 0.13 -5.20 0.19 0.95 0.96 0.00 0.00 176.95 173.98 3e8p s THR 97 N 3.49 5.15 0.16 2.01 -4.23 -1.26 -4.94 115.64 116.01 3e8p s THR 97 Ca 0.84 -0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 3e8p s THR 97 Cb -0.45 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 3e8p s THR 97 CO 0.39 0.10 1.55 0.40 -0.54 0.00 0.00 174.62 176.51 3e8p h ILE 98 N 2.14 0.01 0.00 2.99 5.03 -1.94 0.11 117.51 125.85 3e8p h ILE 98 Ca -0.46 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.23 3e8p h ILE 98 Cb 1.17 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.96 3e8p h ILE 98 CO 0.72 0.00 -0.26 1.05 -0.68 0.00 0.00 178.15 178.98 3e8p h GLU 99 N -0.15 0.00 -0.04 2.37 4.11 -1.97 -1.84 114.58 117.06 3e8p h GLU 99 Ca 0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.55 3e8p h GLU 99 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3e8p h GLU 99 CO -0.81 0.26 -0.13 1.49 0.07 0.00 0.00 179.01 179.89 3e8p h GLU 100 N 0.00 0.05 0.00 1.06 4.81 -1.39 0.16 114.58 119.27 3e8p h GLU 100 Ca -0.00 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 3e8p h GLU 100 Cb 0.70 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3e8p h GLU 100 CO 0.03 0.19 -1.53 1.28 -0.73 0.00 0.00 179.01 178.26 3e8p n LEU 101 N -4.35 0.74 0.13 1.64 4.77 -0.81 -3.39 117.00 115.72 3e8p n LEU 101 Ca -0.02 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 3e8p n LEU 101 Cb 0.22 0.10 0.14 0.00 -2.33 0.00 0.00 43.42 41.56 3e8p n LEU 101 CO 0.36 0.16 0.46 1.56 -1.33 0.00 0.00 177.39 178.61 3e8p h GLN 102 N 0.00 0.00 -0.03 3.23 4.20 -0.53 -0.62 115.11 121.36 3e8p h GLN 102 Ca -0.18 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.38 3e8p h GLN 102 Cb 1.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.36 3e8p h GLN 102 CO 0.04 0.64 -0.66 1.96 -0.67 0.00 0.00 178.83 180.14 3e8p h GLN 103 N 0.00 0.12 -0.28 1.46 4.20 -0.83 -2.90 115.11 116.89 3e8p h GLN 103 Ca -0.01 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3e8p h GLN 103 Cb 1.17 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 3e8p h GLN 103 CO 0.08 0.74 -0.06 0.00 -0.67 0.00 0.00 178.83 178.93 3e8p h ARG 104 N 0.08 0.53 -0.11 1.46 2.47 -1.44 -2.83 114.38 114.54 3e8p h ARG 104 Ca -0.01 -0.20 0.03 0.00 -1.26 0.00 0.00 59.98 58.54 3e8p h ARG 104 Cb 1.18 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.46 3e8p h ARG 104 CO 0.09 0.73 0.09 1.25 0.56 0.00 0.00 179.97 182.69 3e8p h LEU 105 N 0.29 0.00 -1.17 3.04 5.85 -0.99 0.45 115.31 122.78 3e8p h LEU 105 Ca 0.07 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3e8p h LEU 105 Cb 0.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3e8p h LEU 105 CO 0.03 0.00 -0.36 1.56 -0.34 0.00 0.00 178.44 179.33 3e8p h GLN 106 N 0.00 0.00 0.00 1.25 1.08 -1.30 -2.96 115.11 113.18 3e8p h GLN 106 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3e8p h GLN 106 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3e8p h GLN 106 CO -0.00 0.36 -0.80 1.15 -0.95 0.00 0.00 178.83 178.59 3e8p h THR 107 N 0.00 0.00 -1.92 -0.54 2.02 -0.89 -3.47 112.91 108.10 3e8p h THR 107 Ca -0.00 -0.90 -0.64 0.00 0.77 0.00 0.00 66.41 65.64 3e8p h THR 107 Cb 0.76 1.47 0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3e8p h THR 107 CO 0.05 0.00 0.65 -0.11 0.37 0.00 0.00 175.52 176.47 3e8p n LEU 108 N -2.62 2.34 -3.54 2.58 7.94 -0.88 -4.67 117.00 118.15 3e8p n LEU 108 Ca 0.01 1.10 -0.07 0.00 -1.11 0.00 0.00 56.01 55.94 3e8p n LEU 108 Cb 0.53 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.17 3e8p n LEU 108 CO 0.39 -0.67 0.79 -0.83 -1.11 0.00 0.00 177.39 175.95 3e8p s GLY 109 N 1.00 -0.41 -0.10 -3.96 0.00 -1.26 -5.05 107.32 97.54 3e8p s GLY 109 Ca 0.83 1.15 -0.19 0.00 0.00 0.00 0.00 44.72 46.52 3e8p s GLY 109 CO 0.45 0.38 0.50 -1.59 0.00 0.00 0.00 173.10 172.83 3e8p s THR 110 N -2.92 5.16 -0.18 0.90 2.01 -1.26 -4.46 115.64 114.90 3e8p s THR 110 Ca 0.07 1.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.92 3e8p s THR 110 Cb -0.01 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 3e8p s THR 110 CO -0.07 0.33 -0.08 -0.38 -0.69 0.00 0.00 174.62 173.73 3e8p n ILE 111 N 3.57 1.47 -3.75 1.82 5.41 0.16 -5.00 119.36 123.03 3e8p n ILE 111 Ca -0.07 0.08 -0.02 0.00 1.00 0.00 0.00 62.75 63.74 3e8p n ILE 111 Cb 0.52 -2.23 -0.01 0.00 -0.71 0.00 0.00 39.64 37.21 3e8p n ILE 111 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3e8p n ASP 112 N -4.51 -0.16 -3.64 4.38 5.68 -1.18 -5.02 116.55 112.10 3e8p n ASP 112 Ca -0.20 -1.26 -0.07 0.00 -0.50 0.00 0.00 54.79 52.76 3e8p n ASP 112 Cb 0.48 0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.69 3e8p n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3e8p s ARG 114 N -2.13 0.68 -0.10 0.11 3.52 -0.42 -1.35 118.95 119.27 3e8p s ARG 114 Ca 0.04 1.23 0.02 0.00 -0.13 0.00 0.00 55.73 56.89 3e8p s ARG 114 Cb -0.00 0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.58 3e8p s ARG 114 CO 0.03 -0.16 -0.17 0.08 -0.81 0.00 0.00 175.30 174.27 3e8p s VAL 115 N 1.75 2.71 -0.29 7.11 1.01 -1.26 -1.56 120.40 129.87 3e8p s VAL 115 Ca -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 3e8p s VAL 115 Cb -0.06 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3e8p s VAL 115 CO -0.20 0.55 0.03 -1.81 0.00 0.00 0.00 175.10 173.67 3e8p s ASP 116 N 0.14 4.87 -0.53 3.32 1.01 0.25 -5.00 116.67 120.72 3e8p s ASP 116 Ca -0.09 -0.90 -0.25 0.00 0.71 0.00 0.00 52.55 52.02 3e8p s ASP 116 Cb -0.15 -1.79 0.04 0.00 1.01 0.00 0.00 42.92 42.03 3e8p s ASP 116 CO 0.05 -0.20 0.97 -0.31 0.21 0.00 0.00 175.17 175.89 3e8p s TYR 117 N 1.40 2.80 -0.03 4.23 1.51 -1.26 -1.54 117.35 124.46 3e8p s TYR 117 Ca 0.00 0.13 -0.21 0.00 -1.01 0.00 0.00 57.07 55.98 3e8p s TYR 117 Cb -0.18 -4.10 -0.31 0.00 -0.11 0.00 0.00 41.96 37.26 3e8p s TYR 117 CO -0.00 -1.32 0.94 -0.07 -1.11 0.00 0.00 175.55 173.99 3e8p h LEU 118 N 10.98 0.53 -7.14 -1.29 3.38 -1.75 -3.49 115.31 116.54 3e8p h LEU 118 Ca -0.25 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 56.85 3e8p h LEU 118 Cb 1.07 -0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 3e8p h LEU 118 CO 1.08 1.42 0.36 0.00 0.09 0.00 0.00 178.44 181.40 3e8p s ARG 119 N -2.55 1.11 0.11 1.13 1.70 -1.15 -5.07 118.95 114.23 3e8p s ARG 119 Ca -0.13 -0.45 -0.35 0.00 -0.47 0.00 0.00 55.73 54.33 3e8p s ARG 119 Cb 0.02 0.48 -0.18 0.00 -0.57 0.00 0.00 34.95 34.70 3e8p s ARG 119 CO 0.85 -0.49 0.97 -2.30 -1.08 0.00 0.00 175.30 173.25 3e8p n PRO 120 N -0.34 0.41 -1.91 3.89 -0.02 -1.26 -4.79 135.00 130.98 3e8p n PRO 120 Ca -0.11 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 3e8p n PRO 120 Cb 0.63 -1.53 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 3e8p n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e8p n GLY 121 N 1.83 3.37 3.89 -1.23 0.00 -1.26 -4.94 105.19 106.86 3e8p n GLY 121 Ca 0.18 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 3e8p n GLY 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e8p s ARG 122 N 4.00 3.36 0.00 1.61 0.52 -1.26 -0.24 118.95 126.94 3e8p s ARG 122 Ca 0.52 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 3e8p s ARG 122 Cb 0.10 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.56 3e8p s ARG 122 CO 0.01 0.62 0.00 0.41 0.02 0.00 0.00 175.30 176.36 3e8p n GLY 123 N 0.52 2.97 0.13 -3.53 0.00 -1.26 -4.79 105.19 99.22 3e8p n GLY 123 Ca -0.07 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 3e8p n GLY 123 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3e8p n GLN 124 N -1.43 0.67 -4.09 1.61 6.02 -1.26 -4.93 117.38 113.98 3e8p n GLN 124 Ca 0.00 0.21 -0.22 0.00 -0.01 0.00 0.00 57.00 56.98 3e8p n GLN 124 Cb 0.00 -1.58 -0.17 0.00 1.02 0.00 0.00 30.24 29.51 3e8p n GLN 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3e8p s ILE 125 N -2.52 0.62 -0.15 5.09 1.01 -1.26 -4.63 121.20 119.35 3e8p s ILE 125 Ca -0.32 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 3e8p s ILE 125 Cb 0.09 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 3e8p s ILE 125 CO 0.64 0.26 0.06 -0.36 0.00 0.00 0.00 174.94 175.54 3e8p s PHE 126 N 1.21 3.28 -0.03 3.97 0.08 -0.52 -1.17 117.98 124.80 3e8p s PHE 126 Ca -0.06 0.16 0.06 0.00 0.12 0.00 0.00 56.93 57.21 3e8p s PHE 126 Cb -0.14 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 3e8p s PHE 126 CO -0.02 0.32 -0.21 0.99 -0.10 0.00 0.00 175.22 176.20 3e8p s THR 127 N -0.15 1.68 -0.02 0.64 2.01 0.15 -1.21 115.64 118.75 3e8p s THR 127 Ca 0.07 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.22 3e8p s THR 127 Cb -0.12 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 3e8p s THR 127 CO 0.01 0.48 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.42 3e8p s GLY 128 N -0.35 0.82 0.19 4.40 0.00 0.20 -1.16 107.32 111.42 3e8p s GLY 128 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.07 3e8p s GLY 128 CO 0.00 -0.55 0.06 -0.51 0.00 0.00 0.00 173.10 172.11 3e8p s THR 129 N -0.31 0.42 0.22 0.90 -4.23 -0.55 -1.18 115.64 110.91 3e8p s THR 129 Ca 0.05 -1.98 -0.07 0.00 -1.18 0.00 0.00 61.69 58.51 3e8p s THR 129 Cb -0.07 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.48 3e8p s THR 129 CO -0.00 -0.26 0.42 0.61 -0.54 0.00 0.00 174.62 174.85 3e8p n GLY 130 N -0.28 1.67 3.44 3.99 0.00 -1.26 -0.61 105.19 112.14 3e8p n GLY 130 Ca -0.03 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 3e8p n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3e8p s SER 131 N -2.21 -0.56 -0.16 1.61 1.04 -0.45 -4.78 113.70 108.19 3e8p s SER 131 Ca 0.11 0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.44 3e8p s SER 131 Cb -0.02 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 3e8p s SER 131 CO 0.08 -0.88 0.60 -0.69 0.98 0.00 0.00 173.24 173.33 3e8p s VAL 132 N -3.29 5.07 -0.51 5.02 1.01 -1.26 -0.89 120.40 125.55 3e8p s VAL 132 Ca -0.00 1.16 0.16 0.00 0.00 0.00 0.00 61.98 63.29 3e8p s VAL 132 Cb -0.01 -3.92 -0.20 0.00 0.00 0.00 0.00 36.38 32.24 3e8p s VAL 132 CO -0.09 0.18 0.57 2.30 0.00 0.00 0.00 175.10 178.06 3e8p n ILE 133 N 4.34 0.00 -3.33 2.22 -5.35 -0.19 -4.85 119.36 112.20 3e8p n ILE 133 Ca -0.03 -0.21 -0.07 0.00 -0.27 0.00 0.00 62.75 62.17 3e8p n ILE 133 Cb 0.50 0.70 -0.07 0.00 -1.74 0.00 0.00 39.64 39.03 3e8p n ILE 133 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3e8p s ARG 134 N -2.73 0.38 -0.07 6.28 3.52 -1.02 -4.97 118.95 120.33 3e8p s ARG 134 Ca 0.02 0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 56.09 3e8p s ARG 134 Cb 0.12 -0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.10 3e8p s ARG 134 CO 0.67 -0.65 0.29 0.00 -0.81 0.00 0.00 175.30 174.81 3e8p s ALA 135 N 2.58 3.75 0.22 6.12 0.00 -1.26 -1.24 121.76 131.93 3e8p s ALA 135 Ca 0.14 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 3e8p s ALA 135 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 3e8p s ALA 135 CO -0.17 0.47 0.30 0.20 0.00 0.00 0.00 175.76 176.56 3e8p s GLY 136 N -0.82 1.00 0.16 0.00 0.00 -1.18 -4.95 107.32 101.53 3e8p s GLY 136 Ca 0.19 -1.30 0.25 0.00 0.00 0.00 0.00 44.72 43.86 3e8p s GLY 136 CO 0.09 -1.02 1.45 -0.57 0.00 0.00 0.00 173.10 173.04 3e8p h ASN 137 N 2.44 0.00 0.00 1.64 -1.24 -1.98 -3.40 115.58 113.04 3e8p h ASN 137 Ca -0.31 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.56 3e8p h ASN 137 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 3e8p h ASN 137 CO 0.44 0.07 -0.39 -2.11 -1.29 0.00 0.00 177.43 174.16 3e8p n ARG 138 N -2.21 2.19 -3.81 6.67 0.00 -1.26 -3.85 116.66 114.39 3e8p n ARG 138 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.74 3e8p n ARG 138 Cb 0.44 -0.69 -0.16 0.00 -0.00 0.00 0.00 32.46 32.05 3e8p n ARG 138 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3e8p s VAL 139 N -1.20 -0.02 0.02 8.89 1.01 -1.26 -0.62 120.40 127.22 3e8p s VAL 139 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.19 3e8p s VAL 139 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 3e8p s VAL 139 CO 0.00 0.08 -0.16 -0.44 0.00 0.00 0.00 175.10 174.59 3e8p s SER 140 N 0.87 1.84 -0.09 3.32 0.01 -0.03 -3.08 113.70 116.54 3e8p s SER 140 Ca -0.07 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3e8p s SER 140 Cb -0.11 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 3e8p s SER 140 CO -0.02 0.11 -0.10 -0.69 0.41 0.00 0.00 173.24 172.94 3e8p s VAL 141 N -0.66 3.36 0.13 3.43 1.01 -0.37 0.59 120.40 127.89 3e8p s VAL 141 Ca 0.04 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3e8p s VAL 141 Cb -0.07 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3e8p s VAL 141 CO 0.01 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.58 3e8p s ARG 143 N -3.52 2.23 0.00 0.00 0.52 -0.07 -0.16 118.95 117.95 3e8p s ARG 143 Ca 0.13 -2.02 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 3e8p s ARG 143 Cb 0.01 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.56 3e8p s ARG 143 CO -0.00 -0.33 0.00 -1.91 0.02 0.00 0.00 175.30 173.08 3e8p n GLU 145 N -1.42 0.00 -5.00 3.54 0.00 0.22 -1.34 120.64 116.64 3e8p n GLU 145 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.82 3e8p n GLU 145 Cb 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 31.92 3e8p n GLU 145 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3e8p s LEU 146 N 0.00 1.94 0.21 4.31 2.96 -0.34 -1.48 118.68 126.29 3e8p s LEU 146 Ca 0.00 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3e8p s LEU 146 Cb 0.00 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 3e8p s LEU 146 CO 0.00 0.12 0.06 -1.38 -1.32 0.00 0.00 176.35 173.84 3e8p s HIS 147 N 0.41 1.34 0.32 5.38 -3.43 -0.31 0.10 115.29 119.10 3e8p s HIS 147 Ca -0.16 -1.15 0.05 0.00 -0.80 0.00 0.00 55.06 53.00 3e8p s HIS 147 Cb -0.17 -0.76 0.05 0.00 -1.43 0.00 0.00 32.58 30.27 3e8p s HIS 147 CO 0.07 -0.34 0.44 0.27 -2.00 0.00 0.00 174.74 173.18 3e8p n ASN 148 N -0.34 1.14 0.17 7.38 0.23 -0.75 -0.67 115.26 122.41 3e8p n ASN 148 Ca -0.02 -1.83 0.13 0.00 -0.53 0.00 0.00 54.58 52.32 3e8p n ASN 148 Cb 0.65 -0.24 0.61 0.00 -2.08 0.00 0.00 39.78 38.72 3e8p n ASN 148 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3e8p h GLU 149 N 0.00 0.00 -0.01 -3.83 9.09 -1.50 -0.29 114.58 118.04 3e8p h GLU 149 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.26 3e8p h GLU 149 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 3e8p h GLU 149 CO 0.21 0.00 -0.29 1.04 0.05 0.00 0.00 179.01 180.03 3e8p n GLN 150 N -2.36 1.05 -0.10 1.06 6.02 -1.26 -4.94 117.38 116.85 3e8p n GLN 150 Ca -0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 3e8p n GLN 150 Cb 0.12 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3e8p n GLN 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3e8p n GLY 151 N 1.35 0.69 3.68 1.08 0.00 -0.12 -5.04 105.19 106.83 3e8p n GLY 151 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3e8p n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e8p s THR 152 N -2.34 3.03 0.09 2.61 2.01 -1.26 -4.67 115.64 115.10 3e8p s THR 152 Ca 0.00 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.12 3e8p s THR 152 Cb 0.00 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.16 3e8p s THR 152 CO 0.00 -0.01 1.38 -1.00 -0.69 0.00 0.00 174.62 174.31 3e8p s HIS 153 N 2.89 3.17 -0.26 4.92 3.76 -1.26 -1.82 115.29 126.69 3e8p s HIS 153 Ca 0.76 0.94 -0.13 0.00 -0.15 0.00 0.00 55.06 56.48 3e8p s HIS 153 Cb -0.40 -3.66 -0.14 0.00 1.11 0.00 0.00 32.58 29.48 3e8p s HIS 153 CO 0.33 -2.34 -0.22 -0.89 -0.85 0.00 0.00 174.74 170.77 3e8p n ILE 154 N 4.10 1.54 -3.57 0.60 2.08 0.12 -4.61 119.36 119.62 3e8p n ILE 154 Ca 0.12 -0.36 -0.13 0.00 0.56 0.00 0.00 62.75 62.94 3e8p n ILE 154 Cb 0.43 -1.84 -0.05 0.00 -0.75 0.00 0.00 39.64 37.43 3e8p n ILE 154 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3e8p s ALA 155 N -2.49 -1.26 0.20 -1.39 0.00 -1.12 -2.00 121.76 113.70 3e8p s ALA 155 Ca -0.36 0.40 0.11 0.00 0.00 0.00 0.00 51.96 52.11 3e8p s ALA 155 Cb 0.12 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3e8p s ALA 155 CO 0.53 -0.58 -0.22 -0.06 0.00 0.00 0.00 175.76 175.43 3e8p s PHE 156 N -3.02 2.33 0.14 0.00 0.08 -0.59 -1.19 117.98 115.73 3e8p s PHE 156 Ca -0.02 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 3e8p s PHE 156 Cb -0.00 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 3e8p s PHE 156 CO -0.06 0.52 0.05 0.20 -0.10 0.00 0.00 175.22 175.83 3e8p s GLY 157 N -2.75 1.02 -0.11 4.36 0.00 -1.26 -0.58 107.32 108.00 3e8p s GLY 157 Ca 0.22 -1.49 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 3e8p s GLY 157 CO 0.11 -1.38 0.23 -1.59 0.00 0.00 0.00 173.10 170.47 3e8p s THR 158 N -4.02 -0.25 0.05 0.90 2.01 -0.60 -4.39 115.64 109.34 3e8p s THR 158 Ca 0.24 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.55 3e8p s THR 158 Cb 0.07 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 3e8p s THR 158 CO 0.02 0.10 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.06 3e8p s GLY 159 N 1.96 0.95 -0.23 4.40 0.00 0.77 -1.30 107.32 113.87 3e8p s GLY 159 Ca -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 44.72 43.68 3e8p s GLY 159 CO -0.08 -0.93 -0.00 -1.59 0.00 0.00 0.00 173.10 170.50 3e8p s THR 160 N -0.91 3.73 0.00 0.90 2.01 -0.45 0.26 115.64 121.18 3e8p s THR 160 Ca 0.04 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3e8p s THR 160 Cb -0.09 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.71 3e8p s THR 160 CO 0.02 0.40 0.00 -1.22 -0.69 0.00 0.00 174.62 173.13 3e8p n TYR 161 N 4.76 0.00 0.00 4.92 4.01 0.20 -0.66 117.16 130.38 3e8p n TYR 161 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3e8p n TYR 161 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3e8p n TYR 161 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3e8p n VAL 163 N 0.00 0.00 -1.39 -0.72 0.24 0.21 -0.85 118.33 115.81 3e8p n VAL 163 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3e8p n VAL 163 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3e8p n VAL 163 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30