#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 1.97 -4.69 6.12 3.02 -1.26 -5.02 115.26 115.41 3hou n ASN 2 Ca 0.00 -1.75 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 3hou n ASN 2 Cb 0.00 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.79 3.51 0.59 5.41 0.00 -1.26 -5.02 121.76 124.20 3hou s ALA 3 Ca 0.06 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 3hou s ALA 3 Cb 0.03 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3hou s ALA 3 CO 0.04 -0.74 1.09 -1.25 0.00 0.00 0.00 175.76 174.90 3hou s PRO 4 N 2.00 3.20 0.33 0.00 0.04 -1.26 -4.96 135.00 134.36 3hou s PRO 4 Ca 0.60 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 3hou s PRO 4 Cb -0.28 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 3hou s PRO 4 CO 0.25 -0.93 1.55 -0.51 0.04 0.00 0.00 177.00 177.41 3hou s ASP 5 N -2.37 6.35 0.33 6.66 1.01 -1.26 -4.89 116.67 122.50 3hou s ASP 5 Ca 0.67 3.00 0.04 0.00 0.71 0.00 0.00 52.55 56.98 3hou s ASP 5 Cb -0.20 -2.65 0.66 0.00 1.01 0.00 0.00 42.92 41.75 3hou s ASP 5 CO 0.34 -0.90 1.89 0.03 0.21 0.00 0.00 175.17 176.74 3hou h ARG 6 N 4.05 0.84 0.00 8.23 2.47 -2.05 -0.94 114.38 126.99 3hou h ARG 6 Ca -0.49 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 3hou h ARG 6 Cb 1.23 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 3hou h ARG 6 CO 0.73 0.56 0.00 1.97 0.56 0.00 0.00 179.97 183.79 3hou n PHE 7 N -4.53 0.07 0.78 3.04 1.16 -1.26 -1.00 117.46 115.72 3hou n PHE 7 Ca 0.15 0.04 0.09 0.00 -1.87 0.00 0.00 57.45 55.86 3hou n PHE 7 Cb 0.31 -0.56 0.44 0.00 -1.61 0.00 0.00 39.48 38.06 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 -1.57 0.16 0.11 3.97 1.02 -0.36 -1.23 120.64 122.74 3hou n GLU 8 Ca 0.00 0.14 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 3hou n GLU 8 Cb 0.03 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.00 0.00 -4.62 3.38 -1.27 -3.40 115.31 109.40 3hou h LEU 9 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hou h LEU 9 Cb 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hou h LEU 9 CO 0.00 0.76 -0.74 2.22 0.09 0.00 0.00 178.44 180.77 3hou n PHE 10 N -3.64 0.00 -2.74 1.13 1.16 -0.99 -4.20 117.46 108.18 3hou n PHE 10 Ca -0.01 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.15 3hou n PHE 10 Cb 0.73 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.58 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 -2.86 4.12 -0.02 5.98 1.43 -0.36 -4.90 118.68 122.07 3hou s LEU 11 Ca 0.00 1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 54.11 3hou s LEU 11 Cb 0.00 -3.44 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 3hou s LEU 11 CO 0.00 -0.58 1.89 -0.22 0.23 0.00 0.00 176.35 177.67 3hou s LEU 12 N 2.85 4.29 0.76 1.79 2.96 -1.26 -4.77 118.68 125.30 3hou s LEU 12 Ca 0.42 2.44 -0.11 0.00 -0.22 0.00 0.00 54.13 56.66 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 0.09 -1.11 1.10 -0.83 -1.32 0.00 0.00 176.35 174.27 3hou s GLY 13 N 4.46 1.75 -0.39 7.98 0.00 -1.26 -4.77 107.32 115.09 3hou s GLY 13 Ca 0.85 0.32 -0.16 0.00 0.00 0.00 0.00 44.72 45.73 3hou s GLY 13 CO 0.37 0.67 1.16 -2.21 0.00 0.00 0.00 173.10 173.09 3hou n GLU 14 N -3.37 0.00 -2.82 2.90 2.13 -1.26 -2.58 120.64 115.65 3hou n GLU 14 Ca 0.09 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.90 3hou n GLU 14 Cb 0.53 -0.68 0.01 0.00 0.27 0.00 0.00 31.44 31.56 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 3.09 -1.05 3.06 8.31 0.00 -1.26 -5.08 105.19 112.26 3hou n GLY 15 Ca 0.29 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 0.17 1.61 2.02 -1.06 -5.17 118.70 113.62 3hou s GLU 16 Ca 0.05 -0.84 0.09 0.00 0.02 0.00 0.00 54.97 54.29 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 0.62 -0.10 -0.14 -1.12 0.02 0.00 0.00 175.26 174.55 3hou s SER 17 N -2.12 4.05 0.11 -0.19 0.01 -1.26 -4.88 113.70 109.41 3hou s SER 17 Ca -0.05 -0.62 -0.23 0.00 1.31 0.00 0.00 55.95 56.35 3hou s SER 17 Cb -0.02 -0.61 -0.09 0.00 0.21 0.00 0.00 66.02 65.51 3hou s SER 17 CO -0.05 0.12 1.70 0.11 0.41 0.00 0.00 173.24 175.53 3hou h LYS 18 N 3.12 -0.17 -6.30 12.44 1.79 -1.89 -3.37 116.57 122.19 3hou h LYS 18 Ca -0.47 0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.40 3hou h LYS 18 Cb 1.20 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.78 3hou h LYS 18 CO 0.52 -0.11 -0.63 -0.51 -1.08 0.00 0.00 179.45 177.63 3hou s LEU 19 N -10.28 3.47 -0.21 2.94 1.43 -1.26 0.10 118.68 114.87 3hou s LEU 19 Ca -0.14 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3hou s LEU 19 Cb 0.08 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.28 3hou s LEU 19 CO 0.66 0.10 0.35 -0.75 0.23 0.00 0.00 176.35 176.94 3hou s LYS 20 N -2.85 0.29 -0.22 1.70 2.20 -1.11 -4.96 119.74 114.78 3hou s LYS 20 Ca 0.28 0.61 -0.07 0.00 -0.36 0.00 0.00 55.97 56.44 3hou s LYS 20 Cb -0.10 -0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 35.82 3hou s LYS 20 CO 0.20 -0.52 0.05 0.42 -0.36 0.00 0.00 175.35 175.14 3hou s ILE 21 N 2.51 4.29 -0.07 5.43 1.01 -1.26 -0.63 121.20 132.47 3hou s ILE 21 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3hou s ILE 21 Cb -0.14 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.37 3hou s ILE 21 CO -0.14 0.38 -0.13 -1.81 0.00 0.00 0.00 174.94 173.25 3hou s ASP 22 N 1.24 1.94 -0.19 3.58 1.01 -0.20 -4.98 116.67 119.07 3hou s ASP 22 Ca 0.04 -0.33 -0.29 0.00 0.71 0.00 0.00 52.55 52.69 3hou s ASP 22 Cb -0.15 -0.89 -0.05 0.00 1.01 0.00 0.00 42.92 42.84 3hou s ASP 22 CO 0.03 0.03 2.06 -2.16 0.21 0.00 0.00 175.17 175.34 3hou s PRO 23 N 0.72 3.40 -0.01 8.23 0.04 -1.26 -0.14 135.00 145.98 3hou s PRO 23 Ca -0.13 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 3hou s PRO 23 Cb -0.16 -4.28 -0.06 0.00 0.04 0.00 0.00 34.50 30.04 3hou s PRO 23 CO 0.03 -1.79 1.64 0.34 0.04 0.00 0.00 177.00 177.26 3hou s ASP 24 N 6.93 6.66 0.14 6.66 -1.08 -0.72 -4.89 116.67 130.36 3hou s ASP 24 Ca 0.93 2.31 0.11 0.00 -0.52 0.00 0.00 52.55 55.38 3hou s ASP 24 Cb -0.33 -2.55 -0.13 0.00 -1.46 0.00 0.00 42.92 38.46 3hou s ASP 24 CO 0.36 -0.90 1.20 0.71 0.52 0.00 0.00 175.17 177.06 3hou h THR 25 N 5.28 1.26 -0.22 1.71 1.35 -1.93 -3.37 112.91 116.99 3hou h THR 25 Ca -0.40 -2.88 0.04 0.00 -0.55 0.00 0.00 66.41 62.62 3hou h THR 25 Cb 1.19 2.61 -0.07 0.00 -1.73 0.00 0.00 68.15 70.14 3hou h THR 25 CO 0.94 0.72 -0.51 0.11 -0.25 0.00 0.00 175.52 176.53 3hou h LYS 26 N 0.00 -0.48 -6.44 4.72 1.79 -1.96 -3.43 116.57 110.77 3hou h LYS 26 Ca -0.06 0.03 -0.63 0.00 -2.18 0.00 0.00 60.65 57.82 3hou h LYS 26 Cb 1.68 0.11 -0.15 0.00 -1.58 0.00 0.00 32.23 32.29 3hou h LYS 26 CO 0.10 -0.32 -0.75 0.00 -1.08 0.00 0.00 179.45 177.40 3hou s ALA 27 N -5.76 2.81 0.42 3.86 0.00 -1.26 -5.13 121.76 116.71 3hou s ALA 27 Ca -0.15 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 49.99 3hou s ALA 27 Cb 0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 3hou s ALA 27 CO 0.62 0.41 1.03 -1.25 0.00 0.00 0.00 175.76 176.58 3hou s PRO 28 N -2.95 4.09 -0.81 0.00 0.04 -1.26 -4.24 135.00 129.87 3hou s PRO 28 Ca 0.25 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 3hou s PRO 28 Cb -0.08 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3hou s PRO 28 CO 0.14 -0.19 0.65 -1.71 0.04 0.00 0.00 177.00 175.93 3hou n ASN 29 N -0.35 -5.91 -3.57 6.66 2.85 -1.26 -4.84 115.26 108.84 3hou n ASN 29 Ca 0.06 -0.66 -0.14 0.00 -0.11 0.00 0.00 54.58 53.73 3hou n ASN 29 Cb 0.51 -3.03 -0.06 0.00 1.24 0.00 0.00 39.78 38.44 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 -3.02 -1.83 0.15 5.20 0.00 -1.26 -2.60 121.76 118.40 3hou s ALA 30 Ca 0.02 1.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 3hou s ALA 30 Cb -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3hou s ALA 30 CO 0.84 -0.33 0.07 0.08 0.00 0.00 0.00 175.76 176.42 3hou s VAL 31 N -0.62 0.10 -0.16 0.00 1.01 0.47 -1.76 120.40 119.43 3hou s VAL 31 Ca -0.05 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.00 3hou s VAL 31 Cb -0.02 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.25 3hou s VAL 31 CO 0.04 -0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 173.96 3hou s VAL 32 N -4.06 1.56 -0.19 2.92 1.01 0.80 -1.30 120.40 121.14 3hou s VAL 32 Ca 0.27 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3hou s VAL 32 Cb 0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3hou s VAL 32 CO 0.04 0.35 0.02 -0.63 0.00 0.00 0.00 175.10 174.88 3hou s ILE 33 N 1.47 4.30 -0.31 2.22 1.01 0.29 -1.04 121.20 129.14 3hou s ILE 33 Ca 0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 3hou s ILE 33 Cb -0.14 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 3hou s ILE 33 CO -0.10 0.45 0.34 -0.89 0.00 0.00 0.00 174.94 174.75 3hou s THR 34 N 0.64 5.19 -0.44 2.92 2.01 0.20 -0.32 115.64 125.83 3hou s THR 34 Ca 0.01 0.26 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 3hou s THR 34 Cb -0.14 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.66 3hou s THR 34 CO 0.02 0.05 0.58 -0.36 -0.69 0.00 0.00 174.62 174.22 3hou s PHE 35 N 2.01 3.09 0.20 4.92 0.40 0.28 -2.75 117.98 126.14 3hou s PHE 35 Ca 0.12 -0.22 -0.24 0.00 -0.60 0.00 0.00 56.93 56.00 3hou s PHE 35 Cb -0.16 -3.24 -0.08 0.00 0.51 0.00 0.00 43.02 40.05 3hou s PHE 35 CO 0.11 -0.84 0.78 -1.21 0.70 0.00 0.00 175.22 174.76 3hou s GLU 36 N 2.59 4.48 -0.92 0.44 0.41 0.12 -2.21 118.70 123.61 3hou s GLU 36 Ca 0.18 1.09 -0.08 0.00 -0.41 0.00 0.00 54.97 55.76 3hou s GLU 36 Cb -0.16 -3.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.09 3hou s GLU 36 CO 0.16 0.48 0.72 1.63 -0.49 0.00 0.00 175.26 177.77 3hou n LYS 37 N 1.21 -1.39 -3.47 1.61 4.76 -0.22 -4.72 118.16 115.94 3hou n LYS 37 Ca -0.04 0.91 -0.11 0.00 -2.87 0.00 0.00 58.31 56.20 3hou n LYS 37 Cb 0.50 -4.27 -0.02 0.00 -1.84 0.00 0.00 35.03 29.39 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 -4.62 1.32 0.00 1.97 0.41 -1.17 -4.76 118.70 111.85 3hou s GLU 38 Ca 0.19 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 3hou s GLU 38 Cb -0.06 0.59 0.00 0.00 -1.78 0.00 0.00 34.13 32.88 3hou s GLU 38 CO 0.83 -0.58 0.00 -0.40 -0.49 0.00 0.00 175.26 174.61 3hou n ASP 39 N -0.39 0.19 -0.23 -0.19 5.75 -1.26 -1.91 116.55 118.51 3hou n ASP 39 Ca -0.15 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.64 3hou n ASP 39 Cb 0.64 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.86 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 0.50 -0.73 2.11 3.86 -1.98 -1.53 115.15 117.39 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 -0.12 -0.13 0.00 1.06 0.00 0.00 27.41 28.22 3hou h HIS 40 CO 0.00 0.15 -0.23 2.41 0.86 0.00 0.00 177.93 181.11 3hou n THR 41 N -4.94 -0.34 -0.02 2.45 -1.04 -1.26 -1.08 114.28 108.05 3hou n THR 41 Ca 0.10 1.68 -0.20 0.00 -2.04 0.00 0.00 64.05 63.59 3hou n THR 41 Cb 0.29 -2.27 -0.13 0.00 -1.82 0.00 0.00 70.33 66.39 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 0.26 0.04 -4.42 5.85 -1.86 -3.36 115.31 111.82 3hou h LEU 42 Ca 0.30 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3hou h LEU 42 Cb 0.48 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3hou h LEU 42 CO -0.73 1.47 -0.10 1.23 -0.34 0.00 0.00 178.44 179.96 3hou h GLY 43 N -0.35 -1.14 0.24 3.75 0.00 -0.08 -1.37 103.07 104.11 3hou h GLY 43 Ca -0.24 0.52 0.17 0.00 0.00 0.00 0.00 47.33 47.78 3hou h GLY 43 CO 0.01 -0.40 0.62 -0.57 0.00 0.00 0.00 176.54 176.20 3hou h ASN 44 N -0.15 0.80 -0.35 0.19 -1.24 -1.53 -0.69 115.58 112.61 3hou h ASN 44 Ca -0.00 0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 3hou h ASN 44 Cb 0.15 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 3hou h ASN 44 CO -0.05 0.33 0.04 0.25 -1.29 0.00 0.00 177.43 176.71 3hou h LEU 45 N 0.80 0.57 -1.03 0.34 5.85 -1.67 0.19 115.31 120.37 3hou h LEU 45 Ca 0.55 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3hou h LEU 45 Cb 0.81 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3hou h LEU 45 CO -0.33 0.70 -0.14 0.40 -0.34 0.00 0.00 178.44 178.73 3hou h ILE 46 N 0.41 0.32 -0.04 4.05 2.04 -0.82 -2.40 117.51 121.08 3hou h ILE 46 Ca 0.10 -0.96 -0.22 0.00 1.00 0.00 0.00 64.86 64.77 3hou h ILE 46 Cb 0.39 1.75 0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3hou h ILE 46 CO 0.01 0.13 -0.85 -0.09 0.00 0.00 0.00 178.15 177.36 3hou h ARG 47 N 0.00 0.64 0.72 2.37 1.12 -0.74 -2.17 114.38 116.33 3hou h ARG 47 Ca -0.00 -0.64 -0.04 0.00 -1.11 0.00 0.00 59.98 58.19 3hou h ARG 47 Cb 0.74 0.17 0.01 0.00 -0.01 0.00 0.00 29.97 30.87 3hou h ARG 47 CO 0.02 1.24 -0.35 0.00 -3.11 0.00 0.00 179.97 177.78 3hou h ALA 48 N 0.42 -1.08 -0.70 2.80 0.00 -0.76 -2.48 119.26 117.45 3hou h ALA 48 Ca -0.10 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.72 3hou h ALA 48 Cb 1.51 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 19.59 3hou h ALA 48 CO 0.17 -1.01 0.28 0.93 0.00 0.00 0.00 179.25 179.61 3hou h GLU 49 N -1.12 0.43 0.00 0.00 4.39 -1.55 0.80 114.58 117.52 3hou h GLU 49 Ca -0.10 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3hou h GLU 49 Cb 0.74 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3hou h GLU 49 CO 0.16 0.29 0.17 1.25 -1.16 0.00 0.00 179.01 179.72 3hou h LEU 50 N 0.45 0.00 -3.24 1.33 6.46 -1.36 0.05 115.31 119.00 3hou h LEU 50 Ca 0.37 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.85 3hou h LEU 50 Cb 0.51 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.27 3hou h LEU 50 CO -0.36 0.00 0.35 -0.11 -0.62 0.00 0.00 178.44 177.70 3hou n LEU 51 N -2.88 5.29 0.00 2.25 7.94 0.28 -3.77 117.00 126.11 3hou n LEU 51 Ca -0.02 -2.78 0.00 0.00 -1.11 0.00 0.00 56.01 52.10 3hou n LEU 51 Cb 0.23 -0.71 0.00 0.00 0.53 0.00 0.00 43.42 43.47 3hou n LEU 51 CO 0.15 0.80 -0.47 0.59 -1.11 0.00 0.00 177.39 177.35 3hou n ASN 52 N -0.40 3.36 -4.53 1.96 3.02 0.00 -4.93 115.26 113.74 3hou n ASN 52 Ca 0.36 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.59 3hou n ASN 52 Cb 1.22 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.29 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 -2.49 1.16 0.00 6.41 -0.08 -1.24 -4.69 116.55 115.62 3hou n ASP 53 Ca 0.00 -0.45 0.00 0.00 -1.51 0.00 0.00 54.79 52.83 3hou n ASP 53 Cb 0.47 -1.27 0.00 0.00 2.34 0.00 0.00 41.12 42.66 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 8.41 0.00 -0.33 -0.67 5.12 -1.26 0.81 116.66 128.74 3hou n ARG 54 Ca 0.51 0.31 0.09 0.00 -1.93 0.00 0.00 57.85 56.84 3hou n ARG 54 Cb 0.32 -1.57 0.27 0.00 -1.16 0.00 0.00 32.46 30.32 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 -1.29 2.50 -3.46 5.56 5.02 -1.26 -4.75 118.16 120.48 3hou n LYS 55 Ca 0.00 -2.19 -0.43 0.00 -2.02 0.00 0.00 58.31 53.67 3hou n LYS 55 Cb 0.07 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.27 4.60 0.21 -0.18 1.01 0.24 -0.93 120.40 124.08 3hou s VAL 56 Ca 0.40 -1.64 0.24 0.00 0.00 0.00 0.00 61.98 60.99 3hou s VAL 56 Cb 0.22 -3.98 0.24 0.00 0.00 0.00 0.00 36.38 32.86 3hou s VAL 56 CO 0.27 -0.79 1.88 -0.07 0.00 0.00 0.00 175.10 176.39 3hou h LEU 57 N 8.62 0.00 -7.22 3.92 3.38 -0.71 -3.46 115.31 119.84 3hou h LEU 57 Ca -0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3hou h LEU 57 Cb 1.08 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 3hou h LEU 57 CO 0.92 0.21 -0.02 0.12 0.09 0.00 0.00 178.44 179.76 3hou s PHE 58 N -3.79 -0.46 -0.30 1.13 5.36 -0.63 -4.97 117.98 114.33 3hou s PHE 58 Ca -0.00 0.82 -0.14 0.00 -0.96 0.00 0.00 56.93 56.65 3hou s PHE 58 Cb 0.11 0.26 0.17 0.00 -0.34 0.00 0.00 43.02 43.23 3hou s PHE 58 CO 0.63 -0.49 1.02 0.00 -1.46 0.00 0.00 175.22 174.92 3hou s ALA 59 N -1.08 -3.08 0.31 11.12 0.00 -1.25 -1.25 121.76 126.53 3hou s ALA 59 Ca -0.11 1.73 -0.03 0.00 0.00 0.00 0.00 51.96 53.54 3hou s ALA 59 Cb -0.02 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 3hou s ALA 59 CO 0.07 -1.21 0.42 0.00 0.00 0.00 0.00 175.76 175.04 3hou s ALA 60 N 2.67 0.71 -0.16 0.00 0.00 -0.85 -4.96 121.76 119.17 3hou s ALA 60 Ca -0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 51.96 50.21 3hou s ALA 60 Cb -0.08 1.19 0.08 0.00 0.00 0.00 0.00 23.12 24.31 3hou s ALA 60 CO -0.15 -0.77 0.75 1.52 0.00 0.00 0.00 175.76 177.11 3hou s TYR 61 N -3.39 -0.67 0.04 0.00 -0.85 -1.26 -1.26 117.35 109.96 3hou s TYR 61 Ca 0.31 1.39 0.01 0.00 -0.52 0.00 0.00 57.07 58.26 3hou s TYR 61 Cb 0.01 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 3hou s TYR 61 CO 0.18 -0.47 -0.05 -1.59 -1.52 0.00 0.00 175.55 172.09 3hou s LYS 62 N -0.48 0.50 -0.66 -3.49 -2.85 -0.72 -4.98 119.74 107.06 3hou s LYS 62 Ca -0.05 -0.84 -0.10 0.00 -1.00 0.00 0.00 55.97 53.98 3hou s LYS 62 Cb -0.02 -0.08 0.17 0.00 -2.06 0.00 0.00 37.83 35.84 3hou s LYS 62 CO 0.05 -0.01 0.55 0.14 0.10 0.00 0.00 175.35 176.18 3hou s VAL 63 N -2.03 4.71 0.03 1.79 -7.23 -1.26 -1.64 120.40 114.78 3hou s VAL 63 Ca -0.07 -2.37 -0.04 0.00 -1.81 0.00 0.00 61.98 57.68 3hou s VAL 63 Cb -0.06 -4.00 0.01 0.00 0.56 0.00 0.00 36.38 32.90 3hou s VAL 63 CO -0.02 -0.91 0.26 -0.62 -0.31 0.00 0.00 175.10 173.50 3hou n GLU 64 N 4.16 -0.06 -3.64 4.82 -0.58 -1.26 -4.45 120.64 119.62 3hou n GLU 64 Ca 0.05 0.26 -0.10 0.00 -0.42 0.00 0.00 57.16 56.95 3hou n GLU 64 Cb 0.42 -0.38 -0.07 0.00 -0.57 0.00 0.00 31.44 30.84 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 -5.12 -0.93 0.30 -0.32 5.04 -1.26 -5.08 115.29 107.92 3hou s HIS 65 Ca -0.02 1.98 0.05 0.00 -1.54 0.00 0.00 55.06 55.53 3hou s HIS 65 Cb 0.03 0.48 0.78 0.00 0.04 0.00 0.00 32.58 33.90 3hou s HIS 65 CO 0.11 -0.46 1.67 -1.00 -2.34 0.00 0.00 174.74 172.73 3hou h PRO 66 N 6.30 0.31 -0.03 2.88 0.13 -1.98 -1.61 132.00 138.01 3hou h PRO 66 Ca -0.30 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3hou h PRO 66 Cb 1.20 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hou h PRO 66 CO 0.14 0.20 0.51 0.74 -0.23 0.00 0.00 178.00 179.36 3hou h PHE 67 N 0.32 0.00 -3.14 1.56 0.05 -1.97 -3.40 116.94 110.35 3hou h PHE 67 Ca 0.59 0.00 -0.66 0.00 3.82 0.00 0.00 57.97 61.72 3hou h PHE 67 Cb 1.18 0.00 -0.35 0.00 2.00 0.00 0.00 35.95 38.78 3hou h PHE 67 CO -0.16 0.00 -0.86 -0.06 -0.18 0.00 0.00 178.31 177.05 3hou s PHE 68 N -4.10 2.61 -0.86 -0.55 2.99 -0.61 -5.05 117.98 112.41 3hou s PHE 68 Ca -0.03 -1.42 -0.25 0.00 0.00 0.00 0.00 56.93 55.24 3hou s PHE 68 Cb 0.07 -1.80 -0.02 0.00 0.00 0.00 0.00 43.02 41.27 3hou s PHE 68 CO 0.22 -0.68 1.79 0.00 -0.00 0.00 0.00 175.22 176.55 3hou s ALA 69 N 1.08 2.03 0.00 5.36 0.00 -1.26 -4.77 121.76 124.20 3hou s ALA 69 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.47 3hou s ALA 69 Cb -0.14 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.49 3hou s ALA 69 CO -0.07 -4.31 0.00 2.89 0.00 0.00 0.00 175.76 174.27 3hou n ARG 70 N 8.96 0.00 -4.03 0.00 1.85 -0.80 -1.05 116.66 121.59 3hou n ARG 70 Ca 0.33 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 57.10 3hou n ARG 70 Cb 0.49 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.81 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 -1.40 0.46 -0.09 2.89 -0.12 -0.94 -4.28 117.98 114.49 3hou s PHE 71 Ca 0.00 -0.94 -0.02 0.00 -0.05 0.00 0.00 56.93 55.92 3hou s PHE 71 Cb 0.00 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 3hou s PHE 71 CO 0.00 -0.46 -0.01 0.15 -0.05 0.00 0.00 175.22 174.85 3hou s LYS 72 N -3.92 3.04 -0.16 1.99 1.02 -0.65 -0.55 119.74 120.50 3hou s LYS 72 Ca 0.09 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.66 3hou s LYS 72 Cb 0.07 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 3hou s LYS 72 CO -0.08 0.65 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.67 3hou s LEU 73 N -0.73 1.87 -0.25 3.17 2.96 0.56 -1.75 118.68 124.51 3hou s LEU 73 Ca 0.11 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 3hou s LEU 73 Cb -0.12 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 3hou s LEU 73 CO 0.02 -0.04 0.12 -0.60 -1.32 0.00 0.00 176.35 174.52 3hou s ARG 74 N 1.42 3.81 -0.09 1.98 3.52 -0.39 -0.55 118.95 128.64 3hou s ARG 74 Ca 0.05 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.28 3hou s ARG 74 Cb -0.13 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 3hou s ARG 74 CO -0.11 -0.13 -0.21 0.42 -0.81 0.00 0.00 175.30 174.45 3hou s ILE 75 N 1.53 1.83 -0.06 4.11 1.01 -0.42 -2.01 121.20 127.19 3hou s ILE 75 Ca 0.06 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3hou s ILE 75 Cb -0.15 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3hou s ILE 75 CO 0.06 0.51 -0.14 -1.58 0.00 0.00 0.00 174.94 173.79 3hou s GLN 76 N 0.36 1.72 0.11 2.79 0.74 -0.38 -0.39 119.66 124.60 3hou s GLN 76 Ca -0.16 -0.47 0.04 0.00 0.05 0.00 0.00 55.36 54.81 3hou s GLN 76 Cb -0.17 -1.44 -0.04 0.00 1.10 0.00 0.00 33.01 32.47 3hou s GLN 76 CO 0.07 0.10 -0.10 0.95 -0.55 0.00 0.00 175.29 175.76 3hou s THR 77 N 0.44 1.01 0.74 -0.34 -4.23 -1.07 0.01 115.64 112.21 3hou s THR 77 Ca -0.11 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 58.49 3hou s THR 77 Cb -0.14 -1.49 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 3hou s THR 77 CO 0.03 -0.60 0.73 0.35 -0.54 0.00 0.00 174.62 174.59 3hou n THR 78 N 0.37 2.02 -0.95 3.99 -2.24 -0.11 -4.80 114.28 112.55 3hou n THR 78 Ca -0.15 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 3hou n THR 78 Cb 0.58 -0.89 0.10 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.40 -0.09 0.00 -0.78 4.07 -1.26 -2.31 120.64 118.87 3hou n GLU 79 Ca 0.11 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 3hou n GLU 79 Cb 0.50 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 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 1.58 1.64 3.68 8.31 0.00 -1.26 -4.91 105.19 114.24 3hou n GLY 80 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.22 3.40 0.06 1.61 6.04 -0.98 -5.06 117.35 122.20 3hou s TYR 81 Ca 0.00 0.68 -0.19 0.00 0.04 0.00 0.00 57.07 57.60 3hou s TYR 81 Cb 0.00 -2.53 -0.06 0.00 -1.04 0.00 0.00 41.96 38.32 3hou s TYR 81 CO 0.00 0.03 0.55 0.34 -1.54 0.00 0.00 175.55 174.92 3hou s ASP 82 N 0.94 7.02 0.17 4.32 -1.08 -1.26 -4.64 116.67 122.14 3hou s ASP 82 Ca 0.21 1.21 -0.10 0.00 -0.52 0.00 0.00 52.55 53.34 3hou s ASP 82 Cb -0.15 -2.34 0.06 0.00 -1.46 0.00 0.00 42.92 39.03 3hou s ASP 82 CO 0.08 0.27 1.65 1.55 0.52 0.00 0.00 175.17 179.24 3hou h PRO 83 N 4.65 1.00 -0.95 4.34 0.13 -1.93 -2.58 132.00 136.65 3hou h PRO 83 Ca -0.50 -0.29 0.20 0.00 -0.87 0.00 0.00 66.00 64.55 3hou h PRO 83 Cb 1.21 -0.10 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 3hou h PRO 83 CO 0.64 0.96 0.53 0.87 -0.23 0.00 0.00 178.00 180.77 3hou h LYS 84 N 0.89 0.60 -0.10 0.86 1.57 -1.96 0.51 116.57 118.94 3hou h LYS 84 Ca 0.17 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3hou h LYS 84 Cb 0.48 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3hou h LYS 84 CO 0.02 0.40 0.01 -0.44 -0.57 0.00 0.00 179.45 178.87 3hou h ASP 85 N 0.62 0.16 -0.81 0.86 3.32 -1.91 -2.39 116.42 116.27 3hou h ASP 85 Ca 0.57 -0.27 0.19 0.00 0.02 0.00 0.00 57.03 57.54 3hou h ASP 85 Cb 0.97 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.36 3hou h ASP 85 CO -0.43 0.39 0.24 0.00 -1.72 0.00 0.00 179.24 177.72 3hou h ALA 86 N 0.78 1.14 -0.44 3.45 0.00 0.22 0.25 119.26 124.66 3hou h ALA 86 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hou h ALA 86 Cb 0.30 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hou h ALA 86 CO 0.00 -0.37 0.28 1.25 0.00 0.00 0.00 179.25 180.42 3hou h LEU 87 N 0.28 0.51 0.27 0.00 5.85 -0.35 -2.02 115.31 119.85 3hou h LEU 87 Ca 0.48 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 3hou h LEU 87 Cb 0.88 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3hou h LEU 87 CO -0.55 0.39 -0.47 0.11 -0.34 0.00 0.00 178.44 177.57 3hou h LYS 88 N 0.59 -0.76 0.00 1.25 1.57 -0.02 -1.42 116.57 117.78 3hou h LYS 88 Ca 0.16 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3hou h LYS 88 Cb -0.05 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3hou h LYS 88 CO -0.03 -0.50 -0.33 -0.91 -0.57 0.00 0.00 179.45 177.11 3hou h ASN 89 N -0.79 -1.01 -1.39 0.86 2.35 -1.27 0.12 115.58 114.46 3hou h ASN 89 Ca -0.03 0.11 0.47 0.00 -0.55 0.00 0.00 56.30 56.31 3hou h ASN 89 Cb 0.73 0.38 -0.14 0.00 0.05 0.00 0.00 38.32 39.35 3hou h ASN 89 CO -0.17 -0.32 0.90 0.00 -1.65 0.00 0.00 177.43 176.19 3hou h ALA 90 N -0.85 2.85 0.46 -0.83 0.00 -1.28 0.47 119.26 120.08 3hou h ALA 90 Ca 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hou h ALA 90 Cb 0.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hou h ALA 90 CO -0.22 -1.54 -0.22 0.00 0.00 0.00 0.00 179.25 177.28 3hou h ASN 92 N -1.13 -0.77 -0.85 0.00 2.35 0.92 0.73 115.58 116.83 3hou h ASN 92 Ca -0.06 0.16 0.16 0.00 -0.55 0.00 0.00 56.30 56.00 3hou h ASN 92 Cb 0.48 0.39 -0.16 0.00 0.05 0.00 0.00 38.32 39.08 3hou h ASN 92 CO 0.10 -0.26 -0.25 -1.28 -1.65 0.00 0.00 177.43 174.09 3hou h SER 93 N -0.18 -0.93 0.12 5.81 0.87 -0.28 0.57 113.55 119.52 3hou h SER 93 Ca 0.18 0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 3hou h SER 93 Cb 0.46 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3hou h SER 93 CO -0.46 -0.29 -0.06 0.40 -0.53 0.00 0.00 176.83 175.89 3hou h ILE 94 N -0.02 0.91 -0.14 2.23 2.04 -0.34 -1.86 117.51 120.32 3hou h ILE 94 Ca 0.38 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 66.20 3hou h ILE 94 Cb 0.62 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 3hou h ILE 94 CO -0.88 0.02 -0.15 0.40 0.00 0.00 0.00 178.15 177.54 3hou h ILE 95 N -0.20 0.59 -0.28 -0.67 2.04 0.12 -1.05 117.51 118.05 3hou h ILE 95 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3hou h ILE 95 Cb 0.16 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 3hou h ILE 95 CO 0.03 0.00 -0.27 0.78 0.00 0.00 0.00 178.15 178.68 3hou h ASN 96 N -0.18 -0.89 -0.61 1.72 2.35 0.14 0.68 115.58 118.79 3hou h ASN 96 Ca 0.10 0.16 0.08 0.00 -0.55 0.00 0.00 56.30 56.08 3hou h ASN 96 Cb 0.32 0.41 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 3hou h ASN 96 CO -0.25 -0.30 0.27 0.11 -1.65 0.00 0.00 177.43 175.61 3hou h LYS 97 N -0.26 0.48 -0.45 0.81 1.57 -0.87 -1.08 116.57 116.77 3hou h LYS 97 Ca 0.15 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3hou h LYS 97 Cb 0.49 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3hou h LYS 97 CO -0.43 0.32 0.16 -0.07 -0.57 0.00 0.00 179.45 178.85 3hou h LEU 98 N 0.49 0.59 0.67 2.94 3.38 -0.14 -0.48 115.31 122.76 3hou h LEU 98 Ca 0.30 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3hou h LEU 98 Cb 0.30 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hou h LEU 98 CO -0.25 0.55 -0.32 1.23 0.09 0.00 0.00 178.44 179.74 3hou h GLY 99 N 0.81 -0.94 -0.08 0.83 0.00 0.31 0.20 103.07 104.21 3hou h GLY 99 Ca 0.15 0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.91 3hou h GLY 99 CO -0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 176.54 175.90 3hou h ALA 100 N -0.71 -0.13 -0.94 3.60 0.00 -1.04 0.52 119.26 120.55 3hou h ALA 100 Ca -0.09 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3hou h ALA 100 Cb 0.71 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 3hou h ALA 100 CO 0.15 -0.69 0.60 1.25 0.00 0.00 0.00 179.25 180.56 3hou h LEU 101 N -0.24 0.81 0.43 0.00 6.46 -0.85 0.62 115.31 122.54 3hou h LEU 101 Ca 0.17 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 3hou h LEU 101 Cb 0.51 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3hou h LEU 101 CO -0.50 0.43 -0.21 0.50 -0.62 0.00 0.00 178.44 178.04 3hou h LYS 102 N 0.87 -0.56 -0.01 1.25 3.64 0.16 -0.76 116.57 121.15 3hou h LYS 102 Ca 0.47 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3hou h LYS 102 Cb 0.56 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3hou h LYS 102 CO -0.23 -0.31 -0.05 1.15 -2.27 0.00 0.00 179.45 177.74 3hou h THR 103 N -0.70 0.00 -0.93 1.00 2.02 -0.44 -0.39 112.91 113.46 3hou h THR 103 Ca -0.06 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.40 3hou h THR 103 Cb 0.51 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.77 3hou h THR 103 CO 0.10 0.00 0.32 0.78 0.37 0.00 0.00 175.52 177.09 3hou h ASN 104 N -0.05 0.11 -0.40 4.18 2.35 -0.94 0.41 115.58 121.23 3hou h ASN 104 Ca 0.00 0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3hou h ASN 104 Cb 0.06 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3hou h ASN 104 CO -0.04 -0.20 0.04 0.15 -1.65 0.00 0.00 177.43 175.74 3hou h PHE 105 N 0.20 0.73 -0.68 1.19 3.57 -0.76 -2.48 116.94 118.72 3hou h PHE 105 Ca 0.63 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 62.03 3hou h PHE 105 Cb 1.36 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 3hou h PHE 105 CO -0.20 0.73 0.44 0.93 -2.23 0.00 0.00 178.31 177.97 3hou h GLU 106 N 0.52 0.85 0.00 1.11 5.08 0.14 -0.76 114.58 121.53 3hou h GLU 106 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hou h GLU 106 Cb 0.41 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hou h GLU 106 CO 0.01 0.56 0.00 2.41 -1.00 0.00 0.00 179.01 181.00 3hou n THR 107 N -4.64 0.00 -0.40 1.13 -1.04 0.26 -1.19 114.28 108.40 3hou n THR 107 Ca 0.06 1.34 0.35 0.00 -2.04 0.00 0.00 64.05 63.76 3hou n THR 107 Cb 0.05 -2.12 0.63 0.00 -1.82 0.00 0.00 70.33 67.07 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 0.04 -0.23 -2.82 4.39 -1.35 0.17 114.58 114.77 3hou h GLU 108 Ca 0.00 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 3hou h GLU 108 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hou h GLU 108 CO 0.00 0.02 -0.57 2.35 -1.16 0.00 0.00 179.01 179.66 3hou h TRP 109 N 0.04 0.92 -0.48 4.33 2.91 -0.55 -3.14 115.95 119.98 3hou h TRP 109 Ca 0.85 -0.33 -0.12 0.00 1.13 0.00 0.00 58.89 60.42 3hou h TRP 109 Cb 2.49 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 30.95 3hou h TRP 109 CO -0.01 1.12 -0.17 -0.91 -1.03 0.00 0.00 178.44 177.45 3hou h ASN 110 N 0.55 0.95 0.00 2.65 2.35 0.81 -2.90 115.58 120.00 3hou h ASN 110 Ca 0.01 -0.33 -0.12 0.00 -0.55 0.00 0.00 56.30 55.31 3hou h ASN 110 Cb 1.15 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.22 3hou h ASN 110 CO 0.12 1.10 -0.21 0.18 -1.65 0.00 0.00 177.43 176.97 3hou n LEU 111 N -4.13 4.79 -4.25 1.61 4.77 -0.76 -4.82 117.00 114.22 3hou n LEU 111 Ca 0.01 -2.69 -0.14 0.00 -0.03 0.00 0.00 56.01 53.16 3hou n LEU 111 Cb 0.42 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 3hou n LEU 111 CO 0.45 1.31 -0.29 -1.10 -1.33 0.00 0.00 177.39 176.43 3hou s GLN 112 N 0.86 1.20 0.02 3.23 -1.52 -1.10 -4.96 119.66 117.40 3hou s GLN 112 Ca 0.41 -1.61 0.02 0.00 -1.95 0.00 0.00 55.36 52.23 3hou s GLN 112 Cb 0.20 -0.14 -0.02 0.00 -0.22 0.00 0.00 33.01 32.83 3hou s GLN 112 CO 0.00 -0.23 -0.06 0.99 -0.25 0.00 0.00 175.29 175.74 3hou s THR 113 N -3.79 0.39 0.00 -0.19 2.01 -1.26 -5.10 115.64 107.69 3hou s THR 113 Ca 0.30 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3hou s THR 113 Cb 0.07 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.14 3hou s THR 113 CO 0.08 -0.26 0.00 -0.11 -0.69 0.00 0.00 174.62 173.64