#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hou n ASN 2 N 0.00 1.88 -4.69 6.12 3.02 -1.26 -5.02 115.26 115.30 3hou n ASN 2 Ca 0.00 -1.83 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 3hou n ASN 2 Cb 0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 3hou n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hou s ALA 3 N -0.83 3.48 0.55 5.41 0.00 -1.26 -5.02 121.76 124.09 3hou s ALA 3 Ca 0.01 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 3hou s ALA 3 Cb 0.01 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 3hou s ALA 3 CO 0.01 -0.70 1.08 -1.25 0.00 0.00 0.00 175.76 174.90 3hou s PRO 4 N 1.93 3.44 0.36 0.00 0.04 -1.26 -4.96 135.00 134.55 3hou s PRO 4 Ca 0.58 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 3hou s PRO 4 Cb -0.27 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 3hou s PRO 4 CO 0.25 -0.74 1.45 -0.25 0.04 0.00 0.00 177.00 177.75 3hou n ASP 5 N -1.45 3.56 -0.36 6.66 8.00 -1.26 -4.89 116.55 126.81 3hou n ASP 5 Ca 0.10 1.21 0.01 0.00 0.71 0.00 0.00 54.79 56.83 3hou n ASP 5 Cb 0.52 -1.59 0.15 0.00 -0.02 0.00 0.00 41.12 40.19 3hou n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3hou h ARG 6 N 3.06 1.16 0.00 -1.24 2.47 -2.05 -1.51 114.38 116.27 3hou h ARG 6 Ca -0.49 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 3hou h ARG 6 Cb 1.25 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3hou h ARG 6 CO 0.65 0.77 0.07 1.97 0.56 0.00 0.00 179.97 183.99 3hou n PHE 7 N -4.49 0.28 0.65 3.04 1.16 -1.26 -0.70 117.46 116.14 3hou n PHE 7 Ca 0.14 0.15 0.08 0.00 -1.87 0.00 0.00 57.45 55.95 3hou n PHE 7 Cb 0.14 -0.68 0.38 0.00 -1.61 0.00 0.00 39.48 37.71 3hou n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3hou n GLU 8 N -1.77 0.07 0.11 3.97 1.02 -0.57 -1.11 120.64 122.37 3hou n GLU 8 Ca -0.01 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.29 3hou n GLU 8 Cb 0.08 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.11 3hou n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hou h LEU 9 N 0.00 0.07 0.00 -4.62 3.38 -1.12 -3.40 115.31 109.62 3hou h LEU 9 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hou h LEU 9 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hou h LEU 9 CO 0.00 0.73 -0.72 2.22 0.09 0.00 0.00 178.44 180.76 3hou n PHE 10 N -3.74 0.00 -2.71 1.13 1.16 -0.99 -4.22 117.46 108.09 3hou n PHE 10 Ca -0.01 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.14 3hou n PHE 10 Cb 0.67 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.52 3hou n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3hou s LEU 11 N -2.62 4.12 -0.05 5.98 1.43 -0.27 -4.91 118.68 122.37 3hou s LEU 11 Ca 0.00 1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 54.14 3hou s LEU 11 Cb 0.00 -3.47 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 3hou s LEU 11 CO 0.00 -0.60 1.94 -0.22 0.23 0.00 0.00 176.35 177.69 3hou s LEU 12 N 2.93 4.19 0.75 1.79 2.96 -1.26 -4.77 118.68 125.27 3hou s LEU 12 Ca 0.43 2.37 -0.11 0.00 -0.22 0.00 0.00 54.13 56.59 3hou s LEU 12 Cb -0.16 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.05 3hou s LEU 12 CO 0.08 -1.22 1.10 -0.83 -1.32 0.00 0.00 176.35 174.15 3hou s GLY 13 N 4.97 1.76 -0.33 7.98 0.00 -1.26 -4.77 107.32 115.68 3hou s GLY 13 Ca 0.87 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 45.78 3hou s GLY 13 CO 0.37 0.67 0.97 -2.21 0.00 0.00 0.00 173.10 172.90 3hou n GLU 14 N -3.33 0.00 -2.88 2.90 2.13 -1.26 -2.54 120.64 115.67 3hou n GLU 14 Ca 0.09 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.90 3hou n GLU 14 Cb 0.53 -0.57 0.01 0.00 0.27 0.00 0.00 31.44 31.67 3hou n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hou n GLY 15 N 2.60 -1.09 3.05 8.31 0.00 -1.26 -5.08 105.19 111.72 3hou n GLY 15 Ca 0.24 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 3hou n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hou s GLU 16 N -3.14 0.49 0.16 1.61 2.02 -1.05 -5.16 118.70 113.64 3hou s GLU 16 Ca 0.04 -0.92 0.09 0.00 0.02 0.00 0.00 54.97 54.21 3hou s GLU 16 Cb -0.01 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.36 3hou s GLU 16 CO 0.65 -0.09 -0.15 -1.12 0.02 0.00 0.00 175.26 174.57 3hou s SER 17 N -2.26 3.96 0.10 -0.19 0.01 -1.26 -4.88 113.70 109.18 3hou s SER 17 Ca -0.03 -0.64 -0.27 0.00 1.31 0.00 0.00 55.95 56.32 3hou s SER 17 Cb -0.00 -0.56 -0.10 0.00 0.21 0.00 0.00 66.02 65.57 3hou s SER 17 CO -0.06 0.13 1.65 0.11 0.41 0.00 0.00 173.24 175.48 3hou h LYS 18 N 3.21 -0.43 -6.22 12.44 1.79 -1.90 -3.37 116.57 122.11 3hou h LYS 18 Ca -0.48 0.03 -0.59 0.00 -2.18 0.00 0.00 60.65 57.44 3hou h LYS 18 Cb 1.19 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.86 3hou h LYS 18 CO 0.50 -0.29 -0.58 -0.51 -1.08 0.00 0.00 179.45 177.49 3hou s LEU 19 N -10.26 3.73 -0.22 2.94 1.43 -1.26 0.23 118.68 115.28 3hou s LEU 19 Ca -0.15 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3hou s LEU 19 Cb 0.07 -2.36 0.12 0.00 0.03 0.00 0.00 46.19 44.05 3hou s LEU 19 CO 0.65 0.09 0.35 -0.75 0.23 0.00 0.00 176.35 176.91 3hou s LYS 20 N -2.97 0.30 -0.24 1.70 2.20 -1.11 -4.96 119.74 114.66 3hou s LYS 20 Ca 0.30 0.54 -0.08 0.00 -0.36 0.00 0.00 55.97 56.37 3hou s LYS 20 Cb -0.10 -0.51 -0.03 0.00 -1.51 0.00 0.00 37.83 35.68 3hou s LYS 20 CO 0.22 -0.58 0.09 0.42 -0.36 0.00 0.00 175.35 175.14 3hou s ILE 21 N 2.51 4.54 -0.08 5.43 1.01 -1.26 -0.74 121.20 132.61 3hou s ILE 21 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.67 3hou s ILE 21 Cb -0.15 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.21 3hou s ILE 21 CO -0.14 0.34 -0.13 -1.81 0.00 0.00 0.00 174.94 173.20 3hou s ASP 22 N 1.46 1.97 -0.24 3.58 1.01 -0.29 -4.98 116.67 119.17 3hou s ASP 22 Ca 0.06 -0.33 -0.28 0.00 0.71 0.00 0.00 52.55 52.71 3hou s ASP 22 Cb -0.15 -0.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 3hou s ASP 22 CO 0.05 0.02 2.10 -2.16 0.21 0.00 0.00 175.17 175.39 3hou s PRO 23 N 0.80 3.22 -0.01 8.23 0.04 -1.26 -0.26 135.00 145.75 3hou s PRO 23 Ca -0.12 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 3hou s PRO 23 Cb -0.15 -4.32 -0.07 0.00 0.04 0.00 0.00 34.50 30.00 3hou s PRO 23 CO 0.02 -2.00 1.69 0.34 0.04 0.00 0.00 177.00 177.09 3hou s ASP 24 N 7.60 6.63 0.14 6.66 -1.08 -0.74 -4.89 116.67 130.99 3hou s ASP 24 Ca 0.95 2.35 0.08 0.00 -0.52 0.00 0.00 52.55 55.41 3hou s ASP 24 Cb -0.31 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.45 3hou s ASP 24 CO 0.35 -0.93 1.31 0.71 0.52 0.00 0.00 175.17 177.12 3hou h THR 25 N 5.40 1.61 -0.33 1.71 1.35 -1.93 -3.37 112.91 117.35 3hou h THR 25 Ca -0.41 -3.26 0.05 0.00 -0.55 0.00 0.00 66.41 62.23 3hou h THR 25 Cb 1.19 2.79 -0.08 0.00 -1.73 0.00 0.00 68.15 70.32 3hou h THR 25 CO 0.94 0.92 -0.55 0.11 -0.25 0.00 0.00 175.52 176.69 3hou h LYS 26 N 0.00 -0.43 -6.42 4.72 1.79 -1.96 -3.42 116.57 110.84 3hou h LYS 26 Ca -0.01 0.03 -0.62 0.00 -2.18 0.00 0.00 60.65 57.87 3hou h LYS 26 Cb 1.71 0.10 -0.15 0.00 -1.58 0.00 0.00 32.23 32.31 3hou h LYS 26 CO 0.12 -0.29 -0.75 0.00 -1.08 0.00 0.00 179.45 177.45 3hou s ALA 27 N -5.67 2.80 0.41 3.86 0.00 -1.26 -5.13 121.76 116.77 3hou s ALA 27 Ca -0.15 -1.63 -0.24 0.00 0.00 0.00 0.00 51.96 49.95 3hou s ALA 27 Cb 0.08 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 3hou s ALA 27 CO 0.62 0.39 1.05 -1.25 0.00 0.00 0.00 175.76 176.57 3hou s PRO 28 N -3.01 4.13 -0.80 0.00 0.04 -1.26 -4.26 135.00 129.83 3hou s PRO 28 Ca 0.25 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 3hou s PRO 28 Cb -0.07 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3hou s PRO 28 CO 0.14 -0.17 0.64 -1.71 0.04 0.00 0.00 177.00 175.94 3hou n ASN 29 N -0.17 -6.00 -3.57 6.66 2.85 -1.26 -4.85 115.26 108.92 3hou n ASN 29 Ca 0.05 -0.62 -0.14 0.00 -0.11 0.00 0.00 54.58 53.77 3hou n ASN 29 Cb 0.50 -3.10 -0.06 0.00 1.24 0.00 0.00 39.78 38.36 3hou n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hou s ALA 30 N -3.00 -1.86 0.14 5.20 0.00 -1.26 -2.64 121.76 118.35 3hou s ALA 30 Ca 0.01 1.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.52 3hou s ALA 30 Cb -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3hou s ALA 30 CO 0.84 -0.32 0.14 0.08 0.00 0.00 0.00 175.76 176.49 3hou s VAL 31 N -0.73 0.09 -0.16 0.00 1.01 0.74 -1.80 120.40 119.55 3hou s VAL 31 Ca -0.04 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.23 3hou s VAL 31 Cb -0.02 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.43 3hou s VAL 31 CO 0.03 -0.41 -0.15 -0.69 0.00 0.00 0.00 175.10 173.88 3hou s VAL 32 N -4.02 1.68 -0.19 2.92 1.01 0.64 -1.22 120.40 121.22 3hou s VAL 32 Ca 0.21 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hou s VAL 32 Cb 0.06 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3hou s VAL 32 CO 0.01 0.45 0.03 -0.63 0.00 0.00 0.00 175.10 174.96 3hou s ILE 33 N 1.44 4.33 -0.34 2.22 1.01 0.05 -1.14 121.20 128.77 3hou s ILE 33 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 3hou s ILE 33 Cb -0.13 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 3hou s ILE 33 CO -0.11 0.43 0.43 -0.89 0.00 0.00 0.00 174.94 174.80 3hou s THR 34 N 0.76 5.10 -0.48 2.92 2.01 0.08 -0.49 115.64 125.55 3hou s THR 34 Ca 0.02 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.00 3hou s THR 34 Cb -0.14 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.53 3hou s THR 34 CO 0.02 -0.14 0.67 -0.36 -0.69 0.00 0.00 174.62 174.12 3hou s PHE 35 N 2.19 3.02 0.26 4.92 0.40 0.66 -2.76 117.98 126.67 3hou s PHE 35 Ca 0.15 -0.21 -0.25 0.00 -0.60 0.00 0.00 56.93 56.01 3hou s PHE 35 Cb -0.16 -3.50 -0.09 0.00 0.51 0.00 0.00 43.02 39.78 3hou s PHE 35 CO 0.12 -0.99 0.87 -1.21 0.70 0.00 0.00 175.22 174.72 3hou s GLU 36 N 2.90 4.57 -0.96 0.44 0.41 0.14 -2.16 118.70 124.04 3hou s GLU 36 Ca 0.21 1.24 -0.10 0.00 -0.41 0.00 0.00 54.97 55.90 3hou s GLU 36 Cb -0.16 -3.00 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 3hou s GLU 36 CO 0.17 0.40 0.72 1.63 -0.49 0.00 0.00 175.26 177.69 3hou n LYS 37 N 0.97 -1.33 -3.57 1.61 4.76 -0.29 -4.74 118.16 115.57 3hou n LYS 37 Ca -0.01 0.80 -0.10 0.00 -2.87 0.00 0.00 58.31 56.12 3hou n LYS 37 Cb 0.49 -4.06 -0.02 0.00 -1.84 0.00 0.00 35.03 29.60 3hou n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hou s GLU 38 N -4.95 1.42 0.00 1.97 0.41 -1.17 -4.76 118.70 111.62 3hou s GLU 38 Ca 0.23 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 3hou s GLU 38 Cb -0.08 0.59 0.00 0.00 -1.78 0.00 0.00 34.13 32.85 3hou s GLU 38 CO 0.84 -0.63 0.00 -0.40 -0.49 0.00 0.00 175.26 174.58 3hou n ASP 39 N -0.40 0.00 -0.23 -0.19 5.75 -1.26 -1.77 116.55 118.45 3hou n ASP 39 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.68 3hou n ASP 39 Cb 0.63 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.87 3hou n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3hou h HIS 40 N 0.00 0.48 -0.75 2.11 3.86 -1.98 -1.61 115.15 117.27 3hou h HIS 40 Ca 0.00 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.37 3hou h HIS 40 Cb 0.00 -0.11 -0.13 0.00 1.06 0.00 0.00 27.41 28.23 3hou h HIS 40 CO 0.00 0.11 -0.25 2.41 0.86 0.00 0.00 177.93 181.06 3hou n THR 41 N -4.98 -0.36 -0.05 2.45 -1.04 -1.26 -1.39 114.28 107.65 3hou n THR 41 Ca 0.11 1.74 -0.18 0.00 -2.04 0.00 0.00 64.05 63.68 3hou n THR 41 Cb 0.33 -2.34 -0.13 0.00 -1.82 0.00 0.00 70.33 66.37 3hou n THR 41 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hou h LEU 42 N 0.00 0.12 -0.00 -4.42 5.85 -1.86 -3.35 115.31 111.65 3hou h LEU 42 Ca 0.30 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3hou h LEU 42 Cb 0.49 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3hou h LEU 42 CO -0.76 1.28 -0.08 1.23 -0.34 0.00 0.00 178.44 179.77 3hou h GLY 43 N -0.75 -1.37 0.15 3.75 0.00 -0.26 -0.91 103.07 103.68 3hou h GLY 43 Ca -0.16 0.62 0.18 0.00 0.00 0.00 0.00 47.33 47.97 3hou h GLY 43 CO -0.03 -0.49 0.60 -0.57 0.00 0.00 0.00 176.54 176.05 3hou h ASN 44 N -0.10 0.77 -0.35 0.19 -1.24 -1.55 0.23 115.58 113.53 3hou h ASN 44 Ca 0.00 0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 3hou h ASN 44 Cb 0.11 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 3hou h ASN 44 CO -0.06 0.28 0.06 0.25 -1.29 0.00 0.00 177.43 176.67 3hou h LEU 45 N 0.76 0.54 -0.97 0.34 5.85 -1.63 0.07 115.31 120.28 3hou h LEU 45 Ca 0.57 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 3hou h LEU 45 Cb 0.86 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3hou h LEU 45 CO -0.38 0.66 -0.22 0.40 -0.34 0.00 0.00 178.44 178.56 3hou h ILE 46 N 0.41 0.50 -0.13 4.05 2.04 -0.63 -2.48 117.51 121.28 3hou h ILE 46 Ca 0.11 -1.17 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 3hou h ILE 46 Cb 0.34 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3hou h ILE 46 CO 0.01 0.21 -0.36 -0.09 0.00 0.00 0.00 178.15 177.92 3hou h ARG 47 N 0.00 0.48 0.76 2.37 1.12 -0.55 -2.16 114.38 116.40 3hou h ARG 47 Ca -0.00 -0.34 -0.04 0.00 -1.11 0.00 0.00 59.98 58.49 3hou h ARG 47 Cb 0.80 0.05 0.01 0.00 -0.01 0.00 0.00 29.97 30.82 3hou h ARG 47 CO 0.03 0.95 -0.36 0.00 -3.11 0.00 0.00 179.97 177.48 3hou h ALA 48 N 0.52 -1.02 -0.66 2.80 0.00 -0.84 -2.47 119.26 117.59 3hou h ALA 48 Ca -0.01 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hou h ALA 48 Cb 0.97 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 3hou h ALA 48 CO 0.08 -0.99 0.26 0.93 0.00 0.00 0.00 179.25 179.53 3hou h GLU 49 N -1.18 0.43 -0.05 0.00 4.39 -1.55 0.73 114.58 117.35 3hou h GLU 49 Ca -0.10 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.58 3hou h GLU 49 Cb 0.80 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3hou h GLU 49 CO 0.17 0.29 0.21 -0.07 -1.16 0.00 0.00 179.01 178.45 3hou h LEU 50 N 0.45 0.00 -2.93 1.33 3.38 -1.34 0.20 115.31 116.40 3hou h LEU 50 Ca 0.34 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.11 3hou h LEU 50 Cb 0.44 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.07 3hou h LEU 50 CO -0.33 0.00 0.25 -0.11 0.09 0.00 0.00 178.44 178.34 3hou n LEU 51 N -3.14 4.69 0.00 1.67 7.94 0.25 -3.69 117.00 124.72 3hou n LEU 51 Ca -0.01 -2.44 0.00 0.00 -1.11 0.00 0.00 56.01 52.45 3hou n LEU 51 Cb 0.28 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.56 3hou n LEU 51 CO 0.18 0.70 -0.49 0.59 -1.11 0.00 0.00 177.39 177.27 3hou n ASN 52 N -0.17 3.65 -4.54 1.96 3.02 0.06 -4.93 115.26 114.30 3hou n ASN 52 Ca 0.28 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.51 3hou n ASN 52 Cb 1.05 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 40.14 3hou n ASN 52 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hou n ASP 53 N -2.50 1.48 0.00 6.41 -0.08 -1.24 -4.71 116.55 115.91 3hou n ASP 53 Ca 0.00 -0.50 0.00 0.00 -1.51 0.00 0.00 54.79 52.78 3hou n ASP 53 Cb 0.49 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.58 3hou n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hou n ARG 54 N 8.61 0.00 -0.27 -0.67 5.12 -1.26 0.72 116.66 128.90 3hou n ARG 54 Ca 0.48 0.29 0.10 0.00 -1.93 0.00 0.00 57.85 56.78 3hou n ARG 54 Cb 0.38 -1.57 0.26 0.00 -1.16 0.00 0.00 32.46 30.37 3hou n ARG 54 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3hou n LYS 55 N -1.26 2.34 -3.44 5.56 5.02 -1.26 -4.75 118.16 120.37 3hou n LYS 55 Ca 0.00 -2.07 -0.43 0.00 -2.02 0.00 0.00 58.31 53.78 3hou n LYS 55 Cb 0.07 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 3hou n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hou s VAL 56 N -1.28 4.69 0.23 -0.18 1.01 0.22 -0.80 120.40 124.30 3hou s VAL 56 Ca 0.39 -1.61 0.26 0.00 0.00 0.00 0.00 61.98 61.02 3hou s VAL 56 Cb 0.21 -4.03 0.27 0.00 0.00 0.00 0.00 36.38 32.83 3hou s VAL 56 CO 0.27 -0.80 1.93 -0.07 0.00 0.00 0.00 175.10 176.43 3hou h LEU 57 N 8.66 0.00 -7.19 3.92 3.38 -0.43 -3.46 115.31 120.20 3hou h LEU 57 Ca -0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 3hou h LEU 57 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 3hou h LEU 57 CO 0.94 0.17 0.01 0.12 0.09 0.00 0.00 178.44 179.77 3hou s PHE 58 N -3.83 -0.49 -0.30 1.13 5.36 -0.61 -4.96 117.98 114.28 3hou s PHE 58 Ca -0.01 0.87 -0.13 0.00 -0.96 0.00 0.00 56.93 56.70 3hou s PHE 58 Cb 0.11 0.29 0.17 0.00 -0.34 0.00 0.00 43.02 43.25 3hou s PHE 58 CO 0.61 -0.51 0.99 0.00 -1.46 0.00 0.00 175.22 174.84 3hou s ALA 59 N -1.12 -3.05 0.27 11.12 0.00 -1.25 -1.43 121.76 126.31 3hou s ALA 59 Ca -0.11 1.71 -0.04 0.00 0.00 0.00 0.00 51.96 53.52 3hou s ALA 59 Cb -0.02 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 3hou s ALA 59 CO 0.07 -1.25 0.36 0.00 0.00 0.00 0.00 175.76 174.95 3hou s ALA 60 N 2.73 0.67 -0.15 0.00 0.00 -0.85 -4.97 121.76 119.19 3hou s ALA 60 Ca 0.01 -1.42 -0.27 0.00 0.00 0.00 0.00 51.96 50.27 3hou s ALA 60 Cb -0.09 1.22 0.07 0.00 0.00 0.00 0.00 23.12 24.32 3hou s ALA 60 CO -0.15 -0.74 0.68 1.52 0.00 0.00 0.00 175.76 177.07 3hou s TYR 61 N -3.68 -0.70 0.04 0.00 -0.85 -1.26 -1.02 117.35 109.88 3hou s TYR 61 Ca 0.31 1.47 0.01 0.00 -0.52 0.00 0.00 57.07 58.34 3hou s TYR 61 Cb 0.02 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.66 3hou s TYR 61 CO 0.15 -0.49 -0.05 -1.59 -1.52 0.00 0.00 175.55 172.05 3hou s LYS 62 N -0.44 0.50 -0.65 -3.49 -2.85 -0.69 -4.99 119.74 107.12 3hou s LYS 62 Ca -0.06 -0.84 -0.11 0.00 -1.00 0.00 0.00 55.97 53.97 3hou s LYS 62 Cb -0.02 -0.06 0.17 0.00 -2.06 0.00 0.00 37.83 35.85 3hou s LYS 62 CO 0.06 -0.02 0.55 0.14 0.10 0.00 0.00 175.35 176.18 3hou s VAL 63 N -2.04 4.80 0.05 1.79 -7.23 -1.26 -1.88 120.40 114.63 3hou s VAL 63 Ca -0.07 -2.27 -0.06 0.00 -1.81 0.00 0.00 61.98 57.77 3hou s VAL 63 Cb -0.06 -4.05 0.02 0.00 0.56 0.00 0.00 36.38 32.86 3hou s VAL 63 CO -0.02 -0.91 0.40 -0.62 -0.31 0.00 0.00 175.10 173.64 3hou n GLU 64 N 4.28 -0.09 -3.65 4.82 -0.58 -1.26 -4.46 120.64 119.71 3hou n GLU 64 Ca 0.03 0.40 -0.10 0.00 -0.42 0.00 0.00 57.16 57.07 3hou n GLU 64 Cb 0.42 -0.59 -0.07 0.00 -0.57 0.00 0.00 31.44 30.63 3hou n GLU 64 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3hou s HIS 65 N -5.19 -0.92 0.30 -0.32 5.04 -1.26 -5.08 115.29 107.86 3hou s HIS 65 Ca -0.03 1.96 0.04 0.00 -1.54 0.00 0.00 55.06 55.48 3hou s HIS 65 Cb 0.04 0.48 0.77 0.00 0.04 0.00 0.00 32.58 33.91 3hou s HIS 65 CO 0.17 -0.46 1.64 -1.00 -2.34 0.00 0.00 174.74 172.75 3hou h PRO 66 N 6.37 0.18 -0.66 2.88 0.13 -1.98 -1.95 132.00 136.97 3hou h PRO 66 Ca -0.30 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.01 3hou h PRO 66 Cb 1.20 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 3hou h PRO 66 CO 0.14 0.12 0.72 0.74 -0.23 0.00 0.00 178.00 179.49 3hou h PHE 67 N 0.19 0.00 -3.24 1.56 0.05 -1.98 -3.40 116.94 110.12 3hou h PHE 67 Ca 0.58 0.00 -0.67 0.00 3.82 0.00 0.00 57.97 61.71 3hou h PHE 67 Cb 1.21 0.00 -0.31 0.00 2.00 0.00 0.00 35.95 38.85 3hou h PHE 67 CO -0.26 0.00 -0.80 -0.06 -0.18 0.00 0.00 178.31 177.01 3hou s PHE 68 N -4.58 2.82 -0.83 -0.55 2.99 -0.73 -5.05 117.98 112.05 3hou s PHE 68 Ca -0.04 -1.18 -0.25 0.00 0.00 0.00 0.00 56.93 55.46 3hou s PHE 68 Cb 0.16 -1.94 -0.01 0.00 0.00 0.00 0.00 43.02 41.23 3hou s PHE 68 CO 0.54 -0.58 1.72 0.00 -0.00 0.00 0.00 175.22 176.89 3hou s ALA 69 N 1.08 2.19 0.00 5.36 0.00 -1.26 -4.76 121.76 124.36 3hou s ALA 69 Ca -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.53 3hou s ALA 69 Cb -0.14 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.54 3hou s ALA 69 CO -0.04 -4.09 0.00 2.89 0.00 0.00 0.00 175.76 174.52 3hou n ARG 70 N 9.03 0.00 -3.99 0.00 1.85 -0.73 -1.14 116.66 121.68 3hou n ARG 70 Ca 0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 57.04 3hou n ARG 70 Cb 0.49 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.82 3hou n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3hou s PHE 71 N -1.60 0.43 -0.07 2.89 -0.12 -0.92 -4.28 117.98 114.31 3hou s PHE 71 Ca 0.00 -0.87 -0.00 0.00 -0.05 0.00 0.00 56.93 56.01 3hou s PHE 71 Cb 0.00 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.14 3hou s PHE 71 CO 0.00 -0.53 -0.03 0.15 -0.05 0.00 0.00 175.22 174.75 3hou s LYS 72 N -3.93 2.85 -0.14 1.99 1.02 -0.79 -0.25 119.74 120.49 3hou s LYS 72 Ca 0.12 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.62 3hou s LYS 72 Cb 0.06 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 3hou s LYS 72 CO -0.06 0.68 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.73 3hou s LEU 73 N -0.88 1.73 -0.25 3.17 2.96 0.36 -1.71 118.68 124.06 3hou s LEU 73 Ca 0.13 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3hou s LEU 73 Cb -0.11 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3hou s LEU 73 CO 0.02 -0.04 0.08 -0.60 -1.32 0.00 0.00 176.35 174.49 3hou s ARG 74 N 1.38 3.68 -0.07 1.98 3.52 -0.19 -0.77 118.95 128.47 3hou s ARG 74 Ca 0.03 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.21 3hou s ARG 74 Cb -0.13 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 3hou s ARG 74 CO -0.09 -0.18 -0.23 0.42 -0.81 0.00 0.00 175.30 174.41 3hou s ILE 75 N 1.59 1.94 -0.06 4.11 1.01 -0.36 -2.01 121.20 127.42 3hou s ILE 75 Ca 0.06 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3hou s ILE 75 Cb -0.15 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.67 3hou s ILE 75 CO 0.04 0.54 -0.12 -1.58 0.00 0.00 0.00 174.94 173.81 3hou s GLN 76 N 0.13 1.70 0.13 2.79 0.74 -0.52 -0.19 119.66 124.44 3hou s GLN 76 Ca -0.11 -0.42 0.05 0.00 0.05 0.00 0.00 55.36 54.93 3hou s GLN 76 Cb -0.15 -1.41 -0.04 0.00 1.10 0.00 0.00 33.01 32.51 3hou s GLN 76 CO 0.06 0.04 -0.12 0.95 -0.55 0.00 0.00 175.29 175.67 3hou s THR 77 N 0.62 1.23 0.78 -0.34 -4.23 -1.08 0.32 115.64 112.95 3hou s THR 77 Ca -0.14 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.38 3hou s THR 77 Cb -0.15 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3hou s THR 77 CO 0.04 -0.56 0.68 0.35 -0.54 0.00 0.00 174.62 174.59 3hou n THR 78 N 0.26 1.60 -0.96 3.99 -2.24 0.02 -4.79 114.28 112.16 3hou n THR 78 Ca -0.13 -0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 3hou n THR 78 Cb 0.58 -0.84 0.11 0.00 -2.10 0.00 0.00 70.33 68.08 3hou n THR 78 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3hou n GLU 79 N -1.51 -0.08 0.00 -0.78 4.07 -1.26 -2.46 120.64 118.62 3hou n GLU 79 Ca 0.10 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 3hou n GLU 79 Cb 0.51 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 3hou n GLU 79 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hou n GLY 80 N 1.42 1.78 3.68 8.31 0.00 -1.26 -4.91 105.19 114.21 3hou n GLY 80 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3hou n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hou s TYR 81 N -0.28 3.40 0.08 1.61 6.04 -1.03 -5.06 117.35 122.11 3hou s TYR 81 Ca 0.00 0.63 -0.19 0.00 0.04 0.00 0.00 57.07 57.55 3hou s TYR 81 Cb 0.00 -2.49 -0.07 0.00 -1.04 0.00 0.00 41.96 38.36 3hou s TYR 81 CO 0.00 0.05 0.57 0.34 -1.54 0.00 0.00 175.55 174.97 3hou s ASP 82 N 0.91 7.05 0.15 4.32 -1.08 -1.26 -4.65 116.67 122.11 3hou s ASP 82 Ca 0.19 1.25 -0.12 0.00 -0.52 0.00 0.00 52.55 53.35 3hou s ASP 82 Cb -0.14 -2.36 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 3hou s ASP 82 CO 0.07 0.27 1.60 1.55 0.52 0.00 0.00 175.17 179.19 3hou h PRO 83 N 4.49 0.89 -1.01 4.34 0.13 -1.93 -2.57 132.00 136.35 3hou h PRO 83 Ca -0.50 -0.29 0.23 0.00 -0.87 0.00 0.00 66.00 64.58 3hou h PRO 83 Cb 1.21 -0.08 -0.12 0.00 0.13 0.00 0.00 31.00 32.14 3hou h PRO 83 CO 0.63 0.92 0.60 0.87 -0.23 0.00 0.00 178.00 180.80 3hou h LYS 84 N 0.76 0.60 -0.12 0.86 1.57 -1.96 0.68 116.57 118.95 3hou h LYS 84 Ca 0.14 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3hou h LYS 84 Cb 0.52 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hou h LYS 84 CO 0.03 0.40 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.86 3hou h ASP 85 N 0.62 0.22 -0.78 0.86 3.32 -1.90 -2.46 116.42 116.29 3hou h ASP 85 Ca 0.63 -0.32 0.18 0.00 0.02 0.00 0.00 57.03 57.54 3hou h ASP 85 Cb 1.16 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 3hou h ASP 85 CO -0.45 0.49 0.19 0.00 -1.72 0.00 0.00 179.24 177.75 3hou h ALA 86 N 0.74 1.04 -0.40 3.45 0.00 0.58 0.28 119.26 124.95 3hou h ALA 86 Ca 0.03 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3hou h ALA 86 Cb 0.38 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3hou h ALA 86 CO 0.01 -0.37 0.23 1.25 0.00 0.00 0.00 179.25 180.37 3hou h LEU 87 N 0.25 0.37 0.16 0.00 5.85 -0.43 -1.83 115.31 119.68 3hou h LEU 87 Ca 0.45 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.18 3hou h LEU 87 Cb 0.82 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3hou h LEU 87 CO -0.56 0.27 -0.41 0.11 -0.34 0.00 0.00 178.44 177.51 3hou h LYS 88 N 0.47 -0.60 0.03 1.25 1.57 -0.00 -1.34 116.57 117.95 3hou h LYS 88 Ca 0.16 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3hou h LYS 88 Cb 0.01 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3hou h LYS 88 CO -0.08 -0.40 -0.39 -0.91 -0.57 0.00 0.00 179.45 177.10 3hou h ASN 89 N -0.63 -1.18 -1.47 0.86 2.35 -1.23 0.10 115.58 114.38 3hou h ASN 89 Ca -0.01 0.13 0.47 0.00 -0.55 0.00 0.00 56.30 56.33 3hou h ASN 89 Cb 0.61 0.44 -0.11 0.00 0.05 0.00 0.00 38.32 39.31 3hou h ASN 89 CO -0.19 -0.39 0.98 0.00 -1.65 0.00 0.00 177.43 176.19 3hou h ALA 90 N -0.76 3.02 0.43 -0.83 0.00 -1.23 0.43 119.26 120.32 3hou h ALA 90 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hou h ALA 90 Cb 0.53 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hou h ALA 90 CO -0.24 -1.63 -0.21 0.00 0.00 0.00 0.00 179.25 177.17 3hou h ASN 92 N -1.15 -0.72 -0.84 0.00 2.35 0.64 0.29 115.58 116.14 3hou h ASN 92 Ca -0.06 0.15 0.15 0.00 -0.55 0.00 0.00 56.30 55.99 3hou h ASN 92 Cb 0.45 0.36 -0.15 0.00 0.05 0.00 0.00 38.32 39.04 3hou h ASN 92 CO 0.10 -0.25 -0.30 -1.28 -1.65 0.00 0.00 177.43 174.05 3hou h SER 93 N -0.18 -1.09 0.03 5.81 0.87 -0.35 0.63 113.55 119.27 3hou h SER 93 Ca 0.16 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3hou h SER 93 Cb 0.44 0.62 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 3hou h SER 93 CO -0.43 -0.29 -0.02 0.40 -0.53 0.00 0.00 176.83 175.95 3hou h ILE 94 N -0.04 0.94 -0.07 2.23 2.04 -0.51 -1.64 117.51 120.47 3hou h ILE 94 Ca 0.35 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 3hou h ILE 94 Cb 0.60 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3hou h ILE 94 CO -0.88 0.00 -0.15 0.40 0.00 0.00 0.00 178.15 177.53 3hou h ILE 95 N -0.06 0.62 -0.20 -0.67 2.04 0.11 -0.95 117.51 118.41 3hou h ILE 95 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3hou h ILE 95 Cb 0.06 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 3hou h ILE 95 CO -0.00 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.63 3hou h ASN 96 N -0.21 -0.92 -0.64 1.72 2.35 0.29 0.98 115.58 119.16 3hou h ASN 96 Ca 0.07 0.15 0.10 0.00 -0.55 0.00 0.00 56.30 56.07 3hou h ASN 96 Cb 0.31 0.41 -0.08 0.00 0.05 0.00 0.00 38.32 39.01 3hou h ASN 96 CO -0.20 -0.32 0.24 0.11 -1.65 0.00 0.00 177.43 175.61 3hou h LYS 97 N -0.33 0.41 -0.35 0.81 1.57 -0.88 -0.29 116.57 117.51 3hou h LYS 97 Ca 0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3hou h LYS 97 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3hou h LYS 97 CO -0.38 0.27 0.11 -0.07 -0.57 0.00 0.00 179.45 178.81 3hou h LEU 98 N 0.42 0.45 0.33 2.94 3.38 -0.01 -0.61 115.31 122.20 3hou h LEU 98 Ca 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3hou h LEU 98 Cb 0.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hou h LEU 98 CO -0.32 0.43 -0.16 1.23 0.09 0.00 0.00 178.44 179.72 3hou h GLY 99 N 0.68 -0.46 0.10 0.83 0.00 0.84 0.78 103.07 105.84 3hou h GLY 99 Ca 0.12 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.68 3hou h GLY 99 CO -0.01 -0.17 -0.31 0.00 0.00 0.00 0.00 176.54 176.05 3hou h ALA 100 N -0.10 -0.31 -0.96 3.60 0.00 -0.97 -0.77 119.26 119.75 3hou h ALA 100 Ca -0.05 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3hou h ALA 100 Cb 0.47 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 3hou h ALA 100 CO 0.07 -0.77 0.56 1.25 0.00 0.00 0.00 179.25 180.37 3hou h LEU 101 N -0.35 0.72 0.43 0.00 6.46 -0.99 0.38 115.31 121.96 3hou h LEU 101 Ca 0.11 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3hou h LEU 101 Cb 0.53 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 3hou h LEU 101 CO -0.39 0.28 -0.21 0.50 -0.62 0.00 0.00 178.44 178.00 3hou h LYS 102 N 0.74 -0.56 0.02 1.25 3.64 0.55 -0.24 116.57 121.97 3hou h LYS 102 Ca 0.54 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.97 3hou h LYS 102 Cb 0.79 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3hou h LYS 102 CO -0.37 -0.31 -0.22 1.15 -2.27 0.00 0.00 179.45 177.43 3hou h THR 103 N -0.70 0.00 -0.84 1.00 2.02 -0.46 -0.38 112.91 113.55 3hou h THR 103 Ca -0.06 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.33 3hou h THR 103 Cb 0.50 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.78 3hou h THR 103 CO 0.10 0.00 0.19 0.78 0.37 0.00 0.00 175.52 176.96 3hou h ASN 104 N -0.28 -0.05 -0.53 4.18 4.21 -0.98 0.33 115.58 122.45 3hou h ASN 104 Ca 0.00 0.19 -0.06 0.00 1.21 0.00 0.00 56.30 57.65 3hou h ASN 104 Cb 0.30 0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 3hou h ASN 104 CO -0.14 -0.14 0.11 0.15 -1.29 0.00 0.00 177.43 176.13 3hou h PHE 105 N 0.21 0.90 -0.54 1.19 3.57 -0.72 -2.48 116.94 119.08 3hou h PHE 105 Ca 0.51 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.91 3hou h PHE 105 Cb 0.99 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3hou h PHE 105 CO -0.29 0.80 0.34 0.93 -2.23 0.00 0.00 178.31 177.86 3hou h GLU 106 N 0.75 0.67 0.00 1.11 5.08 0.12 -1.18 114.58 121.13 3hou h GLU 106 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hou h GLU 106 Cb 0.36 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hou h GLU 106 CO 0.00 0.44 0.00 2.41 -1.00 0.00 0.00 179.01 180.87 3hou n THR 107 N -4.74 0.00 -0.49 1.13 -1.04 0.54 -1.14 114.28 108.53 3hou n THR 107 Ca 0.04 1.32 0.41 0.00 -2.04 0.00 0.00 64.05 63.77 3hou n THR 107 Cb 0.05 -2.08 0.69 0.00 -1.82 0.00 0.00 70.33 67.17 3hou n THR 107 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3hou h GLU 108 N 0.00 0.03 -0.19 -2.82 4.39 -1.38 0.27 114.58 114.88 3hou h GLU 108 Ca 0.00 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 3hou h GLU 108 Cb 0.00 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3hou h GLU 108 CO 0.00 0.02 -0.70 2.35 -1.16 0.00 0.00 179.01 179.52 3hou h TRP 109 N 0.03 1.02 -0.52 4.33 2.91 -0.48 -3.18 115.95 120.06 3hou h TRP 109 Ca 0.87 -0.42 -0.11 0.00 1.13 0.00 0.00 58.89 60.36 3hou h TRP 109 Cb 2.87 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 31.34 3hou h TRP 109 CO -0.00 1.24 -0.10 -0.91 -1.03 0.00 0.00 178.44 177.63 3hou h ASN 110 N 0.55 0.97 0.00 2.65 2.35 0.11 -2.90 115.58 119.31 3hou h ASN 110 Ca -0.03 -0.31 -0.13 0.00 -0.55 0.00 0.00 56.30 55.28 3hou h ASN 110 Cb 1.32 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.37 3hou h ASN 110 CO 0.14 1.08 -0.23 0.18 -1.65 0.00 0.00 177.43 176.95 3hou n LEU 111 N -4.15 4.74 -4.23 1.61 4.77 -0.74 -4.82 117.00 114.18 3hou n LEU 111 Ca 0.02 -2.74 -0.13 0.00 -0.03 0.00 0.00 56.01 53.13 3hou n LEU 111 Cb 0.39 -1.22 -0.10 0.00 -2.33 0.00 0.00 43.42 40.16 3hou n LEU 111 CO 0.45 1.35 -0.27 -1.10 -1.33 0.00 0.00 177.39 176.48 3hou s GLN 112 N 0.97 1.19 0.02 3.23 -1.52 -1.09 -4.96 119.66 117.50 3hou s GLN 112 Ca 0.46 -1.61 0.01 0.00 -1.95 0.00 0.00 55.36 52.27 3hou s GLN 112 Cb 0.22 -0.00 -0.01 0.00 -0.22 0.00 0.00 33.01 32.99 3hou s GLN 112 CO 0.00 -0.28 -0.04 0.99 -0.25 0.00 0.00 175.29 175.70 3hou s THR 113 N -3.91 0.29 0.00 -0.19 2.01 -1.26 -5.11 115.64 107.47 3hou s THR 113 Ca 0.33 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3hou s THR 113 Cb 0.07 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.24 3hou s THR 113 CO 0.09 -0.25 0.00 -0.11 -0.69 0.00 0.00 174.62 173.66