#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h08 s LYS 3 N 0.00 4.18 -0.27 5.31 1.02 -1.26 -4.92 119.74 123.80 3h08 s LYS 3 Ca 0.00 0.79 -0.11 0.00 0.02 0.00 0.00 55.97 56.67 3h08 s LYS 3 Cb 0.00 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 3h08 s LYS 3 CO 0.00 0.37 0.17 0.99 -0.92 0.00 0.00 175.35 175.96 3h08 s THR 4 N -1.59 5.20 0.01 2.17 2.01 -1.26 -1.44 115.64 120.74 3h08 s THR 4 Ca 0.44 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.61 3h08 s THR 4 Cb -0.15 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 3h08 s THR 4 CO 0.20 0.27 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.71 3h08 s ILE 5 N 1.67 3.64 -0.11 1.82 -1.09 -0.03 -4.80 121.20 122.30 3h08 s ILE 5 Ca 0.07 -0.81 -0.00 0.00 -2.23 0.00 0.00 60.65 57.68 3h08 s ILE 5 Cb -0.16 -2.59 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 3h08 s ILE 5 CO 0.10 0.37 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.18 3h08 s THR 6 N -1.02 3.35 -0.08 2.92 2.01 -0.80 -1.01 115.64 121.01 3h08 s THR 6 Ca 0.18 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.62 3h08 s THR 6 Cb -0.11 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 70.02 3h08 s THR 6 CO 0.08 0.54 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.79 3h08 s ILE 7 N -0.06 1.26 -0.17 1.82 1.01 -0.26 -0.36 121.20 124.44 3h08 s ILE 7 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3h08 s ILE 7 Cb -0.14 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 3h08 s ILE 7 CO 0.03 0.38 -0.08 -0.31 0.00 0.00 0.00 174.94 174.97 3h08 s TYR 8 N 0.71 2.92 0.14 3.97 2.02 -0.03 -0.19 117.35 126.89 3h08 s TYR 8 Ca -0.13 -0.71 0.10 0.00 -0.37 0.00 0.00 57.07 55.96 3h08 s TYR 8 Cb -0.16 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 3h08 s TYR 8 CO 0.03 -0.32 -0.24 0.95 -1.57 0.00 0.00 175.55 174.40 3h08 s THR 9 N 0.84 2.09 -0.07 -0.71 -4.23 -0.75 -1.01 115.64 111.79 3h08 s THR 9 Ca -0.02 -1.77 -0.21 0.00 -1.18 0.00 0.00 61.69 58.51 3h08 s THR 9 Cb -0.15 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.85 3h08 s THR 9 CO 0.01 -0.03 0.48 -0.62 -0.54 0.00 0.00 174.62 173.92 3h08 s ASP 10 N -2.19 -0.43 0.03 3.99 2.15 -0.49 -4.42 116.67 115.30 3h08 s ASP 10 Ca 0.13 0.53 0.01 0.00 0.43 0.00 0.00 52.55 53.66 3h08 s ASP 10 Cb -0.09 0.57 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 3h08 s ASP 10 CO 0.06 -0.43 -0.05 -0.83 -0.17 0.00 0.00 175.17 173.75 3h08 s GLY 11 N -0.86 0.35 0.01 2.66 0.00 -1.26 -0.80 107.32 107.41 3h08 s GLY 11 Ca -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3h08 s GLY 11 CO 0.05 -0.67 -0.02 0.00 0.00 0.00 0.00 173.10 172.46 3h08 s ALA 12 N -1.26 0.16 0.00 3.20 0.00 -0.10 -4.66 121.76 119.09 3h08 s ALA 12 Ca -0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 3h08 s ALA 12 Cb -0.09 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3h08 s ALA 12 CO -0.00 -0.02 0.27 0.00 0.00 0.00 0.00 175.76 176.01 3h08 s ALA 13 N -0.46 -0.65 -1.24 0.00 0.00 -1.26 -0.71 121.76 117.44 3h08 s ALA 13 Ca -0.04 0.15 0.25 0.00 0.00 0.00 0.00 51.96 52.33 3h08 s ALA 13 Cb -0.03 0.13 0.58 0.00 0.00 0.00 0.00 23.12 23.80 3h08 s ALA 13 CO -0.00 -0.28 1.46 0.43 0.00 0.00 0.00 175.76 177.37 3h08 n SER 14 N 1.16 0.67 -0.45 0.00 7.64 -0.39 -4.74 113.62 117.50 3h08 n SER 14 Ca -0.21 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.21 3h08 n SER 14 Cb 0.57 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 3h08 n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h08 n GLY 15 N 1.45 1.99 2.23 0.23 0.00 -1.26 -4.87 105.19 104.96 3h08 n GLY 15 Ca 0.08 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 3h08 n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h08 n ASN 16 N -0.33 0.31 -4.96 1.61 5.15 -1.26 -3.33 115.26 112.45 3h08 n ASN 16 Ca 0.00 -2.70 -0.22 0.00 -0.60 0.00 0.00 54.58 51.06 3h08 n ASN 16 Cb 0.00 -0.63 0.03 0.00 -0.53 0.00 0.00 39.78 38.65 3h08 n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3h08 s PRO 17 N -1.12 2.65 0.03 1.20 0.04 -1.26 -5.10 135.00 131.45 3h08 s PRO 17 Ca 0.35 -0.61 -0.02 0.00 0.04 0.00 0.00 61.00 60.76 3h08 s PRO 17 Cb 0.15 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 32.24 3h08 s PRO 17 CO -0.11 -0.66 0.09 0.41 0.04 0.00 0.00 177.00 176.76 3h08 n GLY 18 N -2.35 1.70 3.76 0.56 0.00 -0.22 -4.84 105.19 103.80 3h08 n GLY 18 Ca 0.06 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 3h08 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h08 s LYS 19 N -2.01 4.25 0.19 1.61 1.02 -1.22 -0.39 119.74 123.20 3h08 s LYS 19 Ca 0.02 2.35 -0.03 0.00 0.02 0.00 0.00 55.97 58.32 3h08 s LYS 19 Cb -0.00 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 3h08 s LYS 19 CO 0.01 -0.38 0.19 0.20 -0.92 0.00 0.00 175.35 174.45 3h08 s GLY 20 N -0.03 1.15 0.18 -3.33 0.00 0.21 -1.26 107.32 104.24 3h08 s GLY 20 Ca 0.55 -1.47 -0.10 0.00 0.00 0.00 0.00 44.72 43.70 3h08 s GLY 20 CO 0.51 -1.23 0.32 -0.32 0.00 0.00 0.00 173.10 172.39 3h08 s GLY 21 N -3.10 0.50 0.05 0.20 0.00 0.11 -0.85 107.32 104.23 3h08 s GLY 21 Ca 0.32 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3h08 s GLY 21 CO 0.09 -0.79 -0.05 0.66 0.00 0.00 0.00 173.10 173.00 3h08 s TRP 22 N -3.98 0.56 -0.00 1.90 1.48 -0.33 -0.93 118.94 117.64 3h08 s TRP 22 Ca 0.19 -0.70 -0.09 0.00 -1.06 0.00 0.00 56.10 54.44 3h08 s TRP 22 Cb 0.03 -0.36 0.01 0.00 -1.16 0.00 0.00 33.47 31.99 3h08 s TRP 22 CO 0.02 -0.19 0.17 0.20 -4.06 0.00 0.00 176.95 173.09 3h08 s GLY 23 N -2.08 0.00 -0.06 3.67 0.00 0.02 -1.53 107.32 107.36 3h08 s GLY 23 Ca -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.59 3h08 s GLY 23 CO -0.03 -0.18 0.16 0.00 0.00 0.00 0.00 173.10 173.05 3h08 s ALA 24 N -1.32 -0.39 -0.20 3.20 0.00 -0.29 -1.40 121.76 121.35 3h08 s ALA 24 Ca -0.14 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3h08 s ALA 24 Cb -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3h08 s ALA 24 CO 0.02 -0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.39 3h08 s LEU 25 N 0.00 2.54 -0.15 0.00 2.96 -0.18 -1.56 118.68 122.29 3h08 s LEU 25 Ca -0.01 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.21 3h08 s LEU 25 Cb -0.01 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3h08 s LEU 25 CO 0.00 -0.03 0.05 -0.76 -1.32 0.00 0.00 176.35 174.30 3h08 s LEU 26 N 1.34 3.81 -0.05 -0.68 1.02 0.27 -0.85 118.68 123.54 3h08 s LEU 26 Ca 0.04 0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.34 3h08 s LEU 26 Cb -0.14 -1.94 0.01 0.00 0.02 0.00 0.00 46.19 44.14 3h08 s LEU 26 CO -0.09 0.24 -0.12 -0.04 0.02 0.00 0.00 176.35 176.36 3h08 s MET 27 N -0.04 1.56 -0.20 1.70 -1.94 0.51 -0.93 119.30 119.97 3h08 s MET 27 Ca 0.06 -0.41 -0.05 0.00 -1.71 0.00 0.00 55.69 53.58 3h08 s MET 27 Cb -0.12 -1.32 0.07 0.00 2.01 0.00 0.00 34.83 35.47 3h08 s MET 27 CO 0.01 0.07 0.12 -0.47 -0.01 0.00 0.00 175.02 174.74 3h08 s TYR 28 N 0.51 0.15 0.00 -0.03 5.04 -0.57 -1.91 117.35 120.54 3h08 s TYR 28 Ca -0.11 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 3h08 s TYR 28 Cb -0.14 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.49 3h08 s TYR 28 CO 0.03 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 3h08 n GLY 29 N 5.28 2.82 0.32 8.97 0.00 -1.26 -1.35 105.19 119.97 3h08 n GLY 29 Ca -0.07 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.69 3h08 n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h08 n SER 30 N 2.55 0.95 -4.87 1.61 3.41 -1.26 -4.87 113.62 111.15 3h08 n SER 30 Ca 0.00 -1.61 -0.34 0.00 -0.26 0.00 0.00 58.87 56.66 3h08 n SER 30 Cb 0.00 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 3h08 n SER 30 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3h08 s SER 31 N -1.54 6.60 0.01 4.04 0.15 -0.46 -5.09 113.70 117.41 3h08 s SER 31 Ca 0.29 0.73 -0.06 0.00 0.70 0.00 0.00 55.95 57.61 3h08 s SER 31 Cb 0.15 -2.15 -0.00 0.00 -1.71 0.00 0.00 66.02 62.30 3h08 s SER 31 CO 0.23 0.17 0.11 -0.60 1.20 0.00 0.00 173.24 174.35 3h08 s ARG 32 N -1.96 0.45 -0.03 5.44 3.52 -1.26 -1.51 118.95 123.60 3h08 s ARG 32 Ca 0.33 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.51 3h08 s ARG 32 Cb -0.14 0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.45 3h08 s ARG 32 CO 0.18 -0.10 -0.04 0.21 -0.81 0.00 0.00 175.30 174.74 3h08 s LYS 33 N -1.39 0.58 -0.09 5.12 2.47 -0.10 -4.99 119.74 121.34 3h08 s LYS 33 Ca -0.15 -0.10 0.03 0.00 -1.56 0.00 0.00 55.97 54.19 3h08 s LYS 33 Cb -0.08 -0.61 -0.01 0.00 -1.46 0.00 0.00 37.83 35.66 3h08 s LYS 33 CO 0.01 -0.02 -0.18 -1.21 0.16 0.00 0.00 175.35 174.12 3h08 s GLU 34 N 0.56 2.92 0.10 4.03 2.02 -1.26 -0.56 118.70 126.51 3h08 s GLU 34 Ca -0.07 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.19 3h08 s GLU 34 Cb -0.10 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 3h08 s GLU 34 CO -0.00 0.36 -0.09 0.96 0.02 0.00 0.00 175.26 176.50 3h08 s ILE 35 N -0.05 0.90 0.10 -1.63 -4.36 -0.60 -5.02 121.20 110.53 3h08 s ILE 35 Ca -0.04 -1.76 -0.26 0.00 -0.26 0.00 0.00 60.65 58.33 3h08 s ILE 35 Cb -0.14 -1.49 0.08 0.00 1.25 0.00 0.00 42.46 42.15 3h08 s ILE 35 CO 0.04 -0.67 0.81 -0.94 0.24 0.00 0.00 174.94 174.42 3h08 s SER 36 N -2.69 -0.37 0.24 4.36 1.04 -1.26 -1.14 113.70 113.87 3h08 s SER 36 Ca 0.08 -0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.16 3h08 s SER 36 Cb -0.00 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.68 3h08 s SER 36 CO -0.01 -0.84 0.92 -0.83 0.98 0.00 0.00 173.24 173.45 3h08 s GLY 37 N -2.69 0.06 0.11 7.32 0.00 -0.58 -5.00 107.32 106.54 3h08 s GLY 37 Ca 0.06 -0.31 0.08 0.00 0.00 0.00 0.00 44.72 44.55 3h08 s GLY 37 CO -0.06 0.75 -0.20 -0.47 0.00 0.00 0.00 173.10 173.13 3h08 s TYR 38 N -2.72 1.74 -0.05 1.90 5.04 -1.26 -1.19 117.35 120.80 3h08 s TYR 38 Ca 0.16 -0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 54.34 3h08 s TYR 38 Cb -0.03 -0.93 0.03 0.00 0.35 0.00 0.00 41.96 41.38 3h08 s TYR 38 CO 0.06 0.22 0.08 0.34 -1.34 0.00 0.00 175.55 174.91 3h08 s ASP 39 N -2.07 0.59 0.50 4.32 -1.08 -0.03 -4.96 116.67 113.93 3h08 s ASP 39 Ca 0.08 0.15 0.32 0.00 -0.52 0.00 0.00 52.55 52.57 3h08 s ASP 39 Cb -0.09 0.00 1.34 0.00 -1.46 0.00 0.00 42.92 42.71 3h08 s ASP 39 CO 0.05 -0.20 1.95 1.55 0.52 0.00 0.00 175.17 179.03 3h08 h PRO 40 N 7.93 0.00 -1.43 4.34 0.13 -1.87 0.62 132.00 141.71 3h08 h PRO 40 Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 3h08 h PRO 40 Cb 1.12 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.00 3h08 h PRO 40 CO 0.28 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 177.61 3h08 s ALA 41 N -3.62 -1.68 0.26 -0.56 0.00 -1.24 -3.40 121.76 111.51 3h08 s ALA 41 Ca 0.01 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 3h08 s ALA 41 Cb 0.09 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.11 3h08 s ALA 41 CO 0.50 -1.60 0.49 -2.37 0.00 0.00 0.00 175.76 172.78 3h08 n THR 42 N 5.39 0.00 -4.40 0.00 5.66 0.47 -4.85 114.28 116.55 3h08 n THR 42 Ca 0.01 -0.74 -0.21 0.00 -3.05 0.00 0.00 64.05 60.06 3h08 n THR 42 Cb 0.51 0.66 -0.10 0.00 -1.55 0.00 0.00 70.33 69.85 3h08 n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3h08 s THR 43 N -2.46 1.85 0.16 1.09 -4.23 -1.26 -1.06 115.64 109.73 3h08 s THR 43 Ca 0.12 -2.21 -0.17 0.00 -1.18 0.00 0.00 61.69 58.24 3h08 s THR 43 Cb -0.03 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.61 3h08 s THR 43 CO 0.09 -0.44 1.68 0.78 -0.54 0.00 0.00 174.62 176.19 3h08 h ASN 44 N 2.39 -0.27 -0.69 3.99 4.21 -1.85 -1.51 115.58 121.84 3h08 h ASN 44 Ca -0.39 0.10 0.06 0.00 1.21 0.00 0.00 56.30 57.28 3h08 h ASN 44 Cb 1.23 0.20 -0.06 0.00 -1.12 0.00 0.00 38.32 38.57 3h08 h ASN 44 CO 0.64 -0.09 0.39 0.78 -1.29 0.00 0.00 177.43 177.85 3h08 h ASN 45 N 0.02 0.57 -0.04 5.81 2.35 -1.96 -0.36 115.58 121.97 3h08 h ASN 45 Ca 0.17 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 3h08 h ASN 45 Cb 0.25 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3h08 h ASN 45 CO -0.34 0.37 -0.32 0.03 -1.65 0.00 0.00 177.43 175.52 3h08 h ARG 46 N 0.71 0.51 -0.09 0.81 3.08 -1.83 -2.02 114.38 115.55 3h08 h ARG 46 Ca 0.31 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 3h08 h ARG 46 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3h08 h ARG 46 CO -0.19 0.77 -0.64 0.52 -1.07 0.00 0.00 179.97 179.36 3h08 h MET 47 N 0.44 0.35 -0.74 0.04 2.86 -0.84 0.75 114.93 117.79 3h08 h MET 47 Ca 0.05 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 3h08 h MET 47 Cb 0.77 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3h08 h MET 47 CO 0.06 0.88 0.41 0.93 1.06 0.00 0.00 176.91 180.24 3h08 h GLU 48 N 0.25 1.03 -0.13 1.72 5.08 -0.81 -0.77 114.58 120.95 3h08 h GLU 48 Ca -0.01 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3h08 h GLU 48 Cb 1.18 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 3h08 h GLU 48 CO 0.11 0.76 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.65 3h08 h LEU 49 N 1.02 0.37 -1.05 1.33 3.38 -1.18 -3.20 115.31 115.98 3h08 h LEU 49 Ca 0.26 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.82 3h08 h LEU 49 Cb 0.03 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3h08 h LEU 49 CO -0.04 0.79 0.63 -0.03 0.09 0.00 0.00 178.44 179.88 3h08 h MET 50 N -0.04 1.05 -0.89 1.13 4.05 -0.71 -1.04 114.93 118.47 3h08 h MET 50 Ca 0.02 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 3h08 h MET 50 Cb 0.70 -0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 31.21 3h08 h MET 50 CO 0.04 0.69 0.58 0.00 0.23 0.00 0.00 176.91 178.45 3h08 h ALA 51 N 1.50 1.18 -0.30 0.39 0.00 -1.14 0.45 119.26 121.33 3h08 h ALA 51 Ca 0.44 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 3h08 h ALA 51 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h08 h ALA 51 CO -0.19 0.43 -0.21 0.00 0.00 0.00 0.00 179.25 179.28 3h08 h ALA 52 N 1.37 0.44 -0.06 0.00 0.00 -1.39 -1.12 119.26 118.49 3h08 h ALA 52 Ca 0.36 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h08 h ALA 52 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h08 h ALA 52 CO -0.12 0.39 -0.00 0.82 0.00 0.00 0.00 179.25 180.34 3h08 h ILE 53 N 0.43 0.95 -0.31 0.00 2.04 -0.82 -1.03 117.51 118.77 3h08 h ILE 53 Ca 0.06 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 3h08 h ILE 53 Cb 0.76 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3h08 h ILE 53 CO 0.06 0.00 -0.30 0.11 0.00 0.00 0.00 178.15 178.02 3h08 h LYS 54 N 0.02 0.66 -0.23 2.37 1.79 -0.91 0.66 116.57 120.91 3h08 h LYS 54 Ca 0.03 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 3h08 h LYS 54 Cb 0.04 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3h08 h LYS 54 CO -0.05 0.88 0.10 0.78 -1.08 0.00 0.00 179.45 180.08 3h08 h GLY 55 N 1.00 0.36 1.34 3.86 0.00 -1.04 -1.49 103.07 107.09 3h08 h GLY 55 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 3h08 h GLY 55 CO 0.07 0.18 -0.04 1.41 0.00 0.00 0.00 176.54 178.15 3h08 h LEU 56 N 0.23 0.78 -2.01 3.11 3.38 -0.92 -2.62 115.31 117.26 3h08 h LEU 56 Ca 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3h08 h LEU 56 Cb 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h08 h LEU 56 CO -0.01 0.87 -0.10 -0.33 0.09 0.00 0.00 178.44 178.96 3h08 h GLU 57 N 0.74 0.00 0.00 1.13 5.08 -0.52 -2.55 114.58 118.45 3h08 h GLU 57 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3h08 h GLU 57 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3h08 h GLU 57 CO 0.03 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 3h08 n ALA 58 N -2.30 1.89 -2.39 3.43 0.00 -0.59 -4.77 120.51 115.78 3h08 n ALA 58 Ca -0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3h08 n ALA 58 Cb 0.21 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 3h08 n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h08 s LEU 59 N -3.79 4.30 0.31 0.00 1.43 -0.96 -4.93 118.68 115.03 3h08 s LEU 59 Ca 0.08 1.92 0.16 0.00 -1.03 0.00 0.00 54.13 55.25 3h08 s LEU 59 Cb 0.12 -3.56 0.34 0.00 0.03 0.00 0.00 46.19 43.12 3h08 s LEU 59 CO 0.41 -0.62 1.57 0.11 0.23 0.00 0.00 176.35 178.06 3h08 h LYS 60 N 7.53 0.00 -4.09 1.70 1.57 -1.90 -3.46 116.57 117.92 3h08 h LYS 60 Ca -0.36 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.30 3h08 h LYS 60 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 3h08 h LYS 60 CO 0.88 0.50 -0.49 -1.83 -0.57 0.00 0.00 179.45 177.94 3h08 s GLU 61 N -3.27 0.91 0.26 3.15 -1.05 -1.26 -5.13 118.70 112.32 3h08 s GLU 61 Ca 0.02 -1.21 -0.30 0.00 -0.15 0.00 0.00 54.97 53.32 3h08 s GLU 61 Cb 0.10 0.30 -0.13 0.00 -0.44 0.00 0.00 34.13 33.96 3h08 s GLU 61 CO 0.73 -0.28 1.41 -2.30 0.95 0.00 0.00 175.26 175.77 3h08 n PRO 62 N -0.08 2.13 -4.15 -4.83 -0.02 -1.26 -4.98 135.00 121.81 3h08 n PRO 62 Ca -0.10 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3h08 n PRO 62 Cb 0.63 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 3h08 n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h08 s ALA 63 N -0.23 0.86 -0.15 3.55 0.00 -1.26 -4.58 121.76 119.95 3h08 s ALA 63 Ca 0.65 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 3h08 s ALA 63 Cb -0.62 1.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 3h08 s ALA 63 CO 0.52 -0.55 0.27 1.03 0.00 0.00 0.00 175.76 177.03 3h08 s ARG 64 N -4.08 4.18 -0.02 0.00 0.52 -0.52 -1.54 118.95 117.48 3h08 s ARG 64 Ca 0.29 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 3h08 s ARG 64 Cb 0.07 -3.40 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 3h08 s ARG 64 CO 0.06 0.31 -0.12 0.08 0.02 0.00 0.00 175.30 175.64 3h08 s VAL 65 N 0.26 1.03 -0.24 3.52 1.01 0.15 -0.85 120.40 125.27 3h08 s VAL 65 Ca 0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3h08 s VAL 65 Cb -0.13 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3h08 s VAL 65 CO 0.04 0.30 0.02 -1.10 0.00 0.00 0.00 175.10 174.36 3h08 s GLN 66 N -0.01 3.43 -0.20 2.72 -0.21 -0.18 -1.30 119.66 123.90 3h08 s GLN 66 Ca -0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 55.36 54.73 3h08 s GLN 66 Cb -0.08 -3.19 -0.01 0.00 1.00 0.00 0.00 33.01 30.73 3h08 s GLN 66 CO 0.01 -0.24 -0.06 -1.17 -2.12 0.00 0.00 175.29 171.71 3h08 s LEU 67 N 1.53 2.88 -0.24 2.90 0.20 0.06 -1.10 118.68 124.91 3h08 s LEU 67 Ca 0.05 -0.36 -0.06 0.00 0.69 0.00 0.00 54.13 54.46 3h08 s LEU 67 Cb -0.15 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 3h08 s LEU 67 CO 0.00 0.03 0.02 -0.31 -0.29 0.00 0.00 176.35 175.80 3h08 s TYR 68 N 1.18 3.03 0.02 5.38 2.02 0.73 -0.58 117.35 129.13 3h08 s TYR 68 Ca 0.02 -0.72 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 3h08 s TYR 68 Cb -0.14 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 3h08 s TYR 68 CO -0.02 -0.47 -0.05 0.45 -1.57 0.00 0.00 175.55 173.90 3h08 s SER 69 N 1.54 0.54 0.00 2.29 0.15 -0.63 -1.81 113.70 115.77 3h08 s SER 69 Ca 0.06 -0.31 0.18 0.00 0.70 0.00 0.00 55.95 56.58 3h08 s SER 69 Cb -0.15 0.01 0.74 0.00 -1.71 0.00 0.00 66.02 64.91 3h08 s SER 69 CO 0.00 -0.10 1.52 -0.90 1.20 0.00 0.00 173.24 174.96 3h08 n ASP 70 N 2.22 1.21 -4.57 5.45 5.75 -1.26 -1.22 116.55 124.14 3h08 n ASP 70 Ca -0.18 -1.69 -0.43 0.00 -0.01 0.00 0.00 54.79 52.48 3h08 n ASP 70 Cb 0.57 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 3h08 n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3h08 s SER 71 N -1.47 6.51 0.33 -1.12 0.15 -1.26 -4.69 113.70 112.14 3h08 s SER 71 Ca 0.29 0.13 0.02 0.00 0.70 0.00 0.00 55.95 57.09 3h08 s SER 71 Cb 0.15 -2.46 0.57 0.00 -1.71 0.00 0.00 66.02 62.57 3h08 s SER 71 CO 0.23 -1.08 1.91 0.00 1.20 0.00 0.00 173.24 175.50 3h08 h ALA 72 N 9.10 1.40 -0.07 5.45 0.00 -1.95 -1.46 119.26 131.73 3h08 h ALA 72 Ca -0.24 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3h08 h ALA 72 Cb 1.07 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3h08 h ALA 72 CO 1.04 0.45 -0.33 -0.92 0.00 0.00 0.00 179.25 179.49 3h08 h TYR 73 N 0.71 -0.91 0.22 0.00 3.20 -1.99 0.20 116.97 118.40 3h08 h TYR 73 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3h08 h TYR 73 Cb 0.16 0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3h08 h TYR 73 CO 0.01 -0.41 -0.11 1.25 -1.64 0.00 0.00 178.16 177.26 3h08 h LEU 74 N -0.44 -0.26 -0.63 2.82 5.85 -1.91 -2.90 115.31 117.84 3h08 h LEU 74 Ca 0.08 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 3h08 h LEU 74 Cb 0.56 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3h08 h LEU 74 CO -0.32 0.10 -0.04 0.58 -0.34 0.00 0.00 178.44 178.43 3h08 h VAL 75 N -0.64 1.26 -0.52 1.05 2.07 -1.06 -2.44 116.25 115.97 3h08 h VAL 75 Ca -0.03 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 3h08 h VAL 75 Cb 0.46 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3h08 h VAL 75 CO 0.05 0.43 -0.06 0.78 0.02 0.00 0.00 177.57 178.79 3h08 h ASN 76 N 0.94 0.94 -0.96 0.57 2.35 -0.72 0.21 115.58 118.91 3h08 h ASN 76 Ca 0.16 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3h08 h ASN 76 Cb 0.59 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.64 3h08 h ASN 76 CO 0.04 1.05 0.61 0.00 -1.65 0.00 0.00 177.43 177.48 3h08 h ALA 77 N 0.92 1.33 0.07 -0.83 0.00 -1.28 0.52 119.26 120.00 3h08 h ALA 77 Ca 0.14 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 3h08 h ALA 77 Cb 0.60 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.14 3h08 h ALA 77 CO 0.04 0.38 -0.88 0.52 0.00 0.00 0.00 179.25 179.31 3h08 h MET 78 N 1.10 0.46 0.00 0.00 2.86 -1.05 -2.26 114.93 116.05 3h08 h MET 78 Ca 0.42 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3h08 h MET 78 Cb 0.19 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3h08 h MET 78 CO -0.18 1.24 -0.91 0.09 1.06 0.00 0.00 176.91 178.21 3h08 n ASN 79 N -4.05 0.63 -1.16 1.22 3.02 0.69 -3.90 115.26 111.72 3h08 n ASN 79 Ca -0.12 -0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.43 3h08 n ASN 79 Cb 0.82 0.60 0.26 0.00 -0.61 0.00 0.00 39.78 40.85 3h08 n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h08 n GLU 80 N -2.01 2.61 -1.03 3.52 -0.58 0.16 -4.97 120.64 118.35 3h08 n GLU 80 Ca 0.02 -2.41 -0.01 0.00 -0.42 0.00 0.00 57.16 54.34 3h08 n GLU 80 Cb 0.44 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.81 3h08 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h08 n GLY 81 N 1.40 0.46 0.22 0.62 0.00 -1.25 -4.92 105.19 101.72 3h08 n GLY 81 Ca 0.20 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3h08 n GLY 81 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h08 h TRP 82 N 0.00 0.91 -0.43 1.61 6.55 -1.69 -2.35 115.95 120.54 3h08 h TRP 82 Ca -0.02 -0.31 0.01 0.00 0.95 0.00 0.00 58.89 59.51 3h08 h TRP 82 Cb 0.26 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.36 3h08 h TRP 82 CO 0.15 1.10 0.28 1.25 -1.05 0.00 0.00 178.44 180.17 3h08 h LEU 83 N 0.47 0.49 -1.13 -4.49 5.85 -1.75 -0.54 115.31 114.20 3h08 h LEU 83 Ca 0.02 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3h08 h LEU 83 Cb 1.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3h08 h LEU 83 CO 0.10 0.35 0.18 0.50 -0.34 0.00 0.00 178.44 179.23 3h08 h LYS 84 N 0.58 0.80 -0.55 1.25 3.64 -1.79 -1.80 116.57 118.69 3h08 h LYS 84 Ca 0.16 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 3h08 h LYS 84 Cb -0.06 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3h08 h LYS 84 CO -0.04 0.68 -0.07 0.00 -2.27 0.00 0.00 179.45 177.76 3h08 h ARG 85 N 0.78 1.02 -0.36 1.90 3.08 -1.15 -2.76 114.38 116.90 3h08 h ARG 85 Ca 0.18 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3h08 h ARG 85 Cb 0.21 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3h08 h ARG 85 CO -0.01 1.05 0.15 -1.49 -1.07 0.00 0.00 179.97 178.59 3h08 h TRP 86 N 0.90 0.54 -0.23 3.04 6.55 -0.30 -0.30 115.95 126.15 3h08 h TRP 86 Ca 0.15 -0.04 0.06 0.00 0.95 0.00 0.00 58.89 60.01 3h08 h TRP 86 Cb 0.63 -0.16 -0.07 0.00 -0.86 0.00 0.00 29.16 28.69 3h08 h TRP 86 CO 0.04 0.49 -0.35 0.28 -1.05 0.00 0.00 178.44 177.86 3h08 h VAL 87 N 0.44 0.23 0.00 1.49 2.07 -1.39 0.64 116.25 119.73 3h08 h VAL 87 Ca 0.12 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 3h08 h VAL 87 Cb 0.17 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3h08 h VAL 87 CO -0.01 0.00 -0.28 0.07 0.02 0.00 0.00 177.57 177.37 3h08 h LYS 88 N -0.37 0.00 -0.85 1.57 2.10 -1.12 -2.68 116.57 115.22 3h08 h LYS 88 Ca 0.12 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.44 3h08 h LYS 88 Cb 0.56 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.70 3h08 h LYS 88 CO -0.43 0.28 0.41 -1.71 -2.00 0.00 0.00 179.45 176.00 3h08 n ASN 89 N -3.79 4.43 -3.18 7.07 2.85 -0.17 -4.92 115.26 117.55 3h08 n ASN 89 Ca -0.01 -3.33 -0.21 0.00 -0.11 0.00 0.00 54.58 50.91 3h08 n ASN 89 Cb 0.38 -0.78 0.06 0.00 1.24 0.00 0.00 39.78 40.68 3h08 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3h08 n GLY 90 N -0.49 -0.40 3.09 8.20 0.00 -0.97 -2.83 105.19 111.79 3h08 n GLY 90 Ca 0.47 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 3h08 n GLY 90 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h08 n TRP 91 N -4.70 -1.90 -4.37 1.61 7.02 0.22 -4.95 117.44 110.37 3h08 n TRP 91 Ca -0.01 0.49 -0.27 0.00 -1.02 0.00 0.00 57.50 56.68 3h08 n TRP 91 Cb 0.57 -4.02 -0.13 0.00 -2.42 0.00 0.00 31.31 25.31 3h08 n TRP 91 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3h08 s LYS 92 N -5.77 1.36 0.00 -0.99 1.02 -1.13 -0.52 119.74 113.71 3h08 s LYS 92 Ca 0.32 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.96 3h08 s LYS 92 Cb -0.15 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 3h08 s LYS 92 CO 0.39 0.40 0.00 -2.37 -0.92 0.00 0.00 175.35 172.86 3h08 n THR 93 N 0.78 0.00 0.00 2.17 5.66 0.45 -4.81 114.28 118.54 3h08 n THR 93 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 3h08 n THR 93 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 3h08 n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h08 n ALA 95 N 0.00 0.00 -1.29 1.79 0.00 -1.26 -4.53 120.51 115.22 3h08 n ALA 95 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3h08 n ALA 95 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 3h08 n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h08 n LYS 96 N 6.71 2.26 -2.48 0.00 5.02 -1.26 -4.99 118.16 123.42 3h08 n LYS 96 Ca 0.00 -3.08 -0.42 0.00 -2.02 0.00 0.00 58.31 52.80 3h08 n LYS 96 Cb 0.00 -1.89 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 3h08 n LYS 96 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3h08 s LYS 97 N -3.14 4.49 0.34 1.97 2.20 -1.26 -4.94 119.74 119.39 3h08 s LYS 97 Ca 0.46 1.71 -0.29 0.00 -0.36 0.00 0.00 55.97 57.49 3h08 s LYS 97 Cb 0.40 -3.35 -0.11 0.00 -1.51 0.00 0.00 37.83 33.26 3h08 s LYS 97 CO 0.04 -0.15 1.54 -2.30 -0.36 0.00 0.00 175.35 174.12 3h08 n PRO 98 N 3.57 2.69 -1.74 4.03 -0.02 -1.26 0.17 135.00 142.43 3h08 n PRO 98 Ca 0.07 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 62.09 3h08 n PRO 98 Cb 0.47 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3h08 n PRO 98 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3h08 n VAL 99 N 1.22 2.10 -2.65 -1.45 0.31 0.32 -4.78 118.33 113.40 3h08 n VAL 99 Ca 0.05 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.54 3h08 n VAL 99 Cb 0.38 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 3h08 n VAL 99 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3h08 s GLU 100 N -2.07 4.02 -1.09 5.55 2.02 -1.26 -4.20 118.70 121.66 3h08 s GLU 100 Ca 0.55 1.28 -0.05 0.00 0.02 0.00 0.00 54.97 56.78 3h08 s GLU 100 Cb -0.51 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 31.54 3h08 s GLU 100 CO 0.62 -0.23 0.66 0.09 0.02 0.00 0.00 175.26 176.42 3h08 n ASN 101 N -0.72 -5.13 -0.30 -0.19 3.02 -1.26 -4.91 115.26 105.78 3h08 n ASN 101 Ca 0.08 -0.30 0.02 0.00 -0.03 0.00 0.00 54.58 54.34 3h08 n ASN 101 Cb 0.53 -3.86 0.15 0.00 -0.61 0.00 0.00 39.78 35.99 3h08 n ASN 101 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h08 h ILE 102 N -1.51 0.98 -0.75 2.41 2.04 -1.99 -0.61 117.51 118.08 3h08 h ILE 102 Ca -0.41 -0.30 0.16 0.00 1.00 0.00 0.00 64.86 65.30 3h08 h ILE 102 Cb 1.27 0.02 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 3h08 h ILE 102 CO 0.42 0.16 0.23 -2.24 0.00 0.00 0.00 178.15 176.73 3h08 h ASP 103 N 0.88 0.12 -0.06 1.72 2.03 -1.95 0.05 116.42 119.22 3h08 h ASP 103 Ca 0.38 0.13 -0.17 0.00 -0.73 0.00 0.00 57.03 56.65 3h08 h ASP 103 Cb 0.26 0.15 0.01 0.00 -0.83 0.00 0.00 39.33 38.92 3h08 h ASP 103 CO -0.21 0.01 -0.63 -0.07 -1.03 0.00 0.00 179.24 177.32 3h08 h LEU 104 N 0.33 0.65 -1.50 0.15 3.38 -1.52 -2.89 115.31 113.91 3h08 h LEU 104 Ca 0.42 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3h08 h LEU 104 Cb 0.71 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3h08 h LEU 104 CO -0.47 1.25 0.37 -0.50 0.09 0.00 0.00 178.44 179.18 3h08 h TRP 105 N 0.11 0.62 -0.28 1.13 4.06 -1.10 -0.88 115.95 119.61 3h08 h TRP 105 Ca -0.06 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.82 3h08 h TRP 105 Cb 1.30 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 3h08 h TRP 105 CO 0.12 0.36 -0.17 1.96 -3.56 0.00 0.00 178.44 177.15 3h08 h GLN 106 N 0.65 0.50 -0.42 0.49 4.20 -0.90 -0.72 115.11 118.90 3h08 h GLN 106 Ca 0.23 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 3h08 h GLN 106 Cb 0.10 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3h08 h GLN 106 CO -0.06 0.65 -0.18 0.93 -0.67 0.00 0.00 178.83 179.50 3h08 h GLU 107 N 0.45 0.87 -0.80 1.46 4.39 -1.11 -2.54 114.58 117.31 3h08 h GLU 107 Ca 0.08 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 3h08 h GLU 107 Cb 0.56 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 3h08 h GLU 107 CO 0.04 1.01 0.39 0.82 -1.16 0.00 0.00 179.01 180.11 3h08 h ILE 108 N 0.69 1.25 -0.58 3.13 2.04 -0.72 -1.45 117.51 121.86 3h08 h ILE 108 Ca 0.10 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3h08 h ILE 108 Cb 0.74 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3h08 h ILE 108 CO 0.06 0.29 0.36 -0.07 0.00 0.00 0.00 178.15 178.79 3h08 h LEU 109 N 1.12 0.59 -0.37 1.44 3.38 -0.99 -0.31 115.31 120.18 3h08 h LEU 109 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3h08 h LEU 109 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3h08 h LEU 109 CO -0.04 0.41 0.15 0.11 0.09 0.00 0.00 178.44 179.16 3h08 h LYS 110 N 0.71 0.55 -0.05 1.13 1.57 -1.04 -2.80 116.57 116.64 3h08 h LYS 110 Ca 0.23 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 3h08 h LYS 110 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3h08 h LYS 110 CO -0.09 0.53 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.76 3h08 h LEU 111 N 0.45 0.14 -0.41 2.94 3.38 -0.93 -2.06 115.31 118.81 3h08 h LEU 111 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h08 h LEU 111 Cb 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3h08 h LEU 111 CO -0.01 0.61 0.00 0.35 0.09 0.00 0.00 178.44 179.48 3h08 n THR 112 N -3.95 0.02 -0.01 0.22 -2.24 -0.15 -1.47 114.28 106.69 3h08 n THR 112 Ca -0.02 -0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.48 3h08 n THR 112 Cb 0.52 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 3h08 n THR 112 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3h08 n THR 113 N -0.48 1.72 -0.07 4.28 -1.04 -0.84 -4.37 114.28 113.48 3h08 n THR 113 Ca 0.21 -0.70 -0.10 0.00 -2.04 0.00 0.00 64.05 61.42 3h08 n THR 113 Cb 0.21 -1.50 0.05 0.00 -1.82 0.00 0.00 70.33 67.26 3h08 n THR 113 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3h08 h LEU 114 N 0.05 0.81 -9.02 -4.42 3.38 -1.19 -3.45 115.31 101.48 3h08 h LEU 114 Ca -0.38 -0.35 -0.66 0.00 0.09 0.00 0.00 57.88 56.57 3h08 h LEU 114 Cb 2.03 -0.23 -0.19 0.00 0.09 0.00 0.00 40.66 42.36 3h08 h LEU 114 CO 0.08 1.09 -0.83 -1.00 0.09 0.00 0.00 178.44 177.87 3h08 s HIS 115 N -4.38 2.31 -0.56 1.13 3.76 -0.54 -4.31 115.29 112.70 3h08 s HIS 115 Ca -0.09 -0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 54.27 3h08 s HIS 115 Cb 0.12 -1.17 0.10 0.00 1.11 0.00 0.00 32.58 32.74 3h08 s HIS 115 CO 0.85 0.47 0.64 1.03 -0.85 0.00 0.00 174.74 176.88 3h08 s ARG 116 N -2.54 3.05 -0.09 1.40 0.52 -0.59 -4.45 118.95 116.24 3h08 s ARG 116 Ca 0.19 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 3h08 s ARG 116 Cb -0.08 -4.23 -0.02 0.00 0.52 0.00 0.00 34.95 31.14 3h08 s ARG 116 CO 0.09 -1.42 -0.16 0.08 0.02 0.00 0.00 175.30 173.92 3h08 s VAL 117 N 2.47 2.85 -0.04 3.52 1.01 -1.26 -0.67 120.40 128.28 3h08 s VAL 117 Ca 0.11 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3h08 s VAL 117 Cb -0.24 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3h08 s VAL 117 CO 0.07 0.55 -0.15 0.42 0.00 0.00 0.00 175.10 176.00 3h08 s THR 118 N -0.05 3.04 -0.07 3.92 -4.23 -0.42 -4.98 115.64 112.84 3h08 s THR 118 Ca -0.04 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3h08 s THR 118 Cb -0.14 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 3h08 s THR 118 CO 0.04 0.56 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.26 3h08 s PHE 119 N -0.76 2.98 -0.05 3.99 0.08 -1.26 -0.76 117.98 122.20 3h08 s PHE 119 Ca 0.12 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.22 3h08 s PHE 119 Cb -0.11 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3h08 s PHE 119 CO 0.01 0.35 -0.02 -1.01 -0.10 0.00 0.00 175.22 174.45 3h08 s HIS 120 N -0.80 0.58 0.06 0.36 3.76 0.25 -4.95 115.29 114.55 3h08 s HIS 120 Ca 0.12 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 3h08 s HIS 120 Cb -0.11 -0.62 -0.05 0.00 1.11 0.00 0.00 32.58 32.91 3h08 s HIS 120 CO 0.02 -0.21 0.93 0.21 -0.85 0.00 0.00 174.74 174.84 3h08 s LYS 121 N 1.25 4.62 0.18 1.40 2.47 -1.26 -1.60 119.74 126.80 3h08 s LYS 121 Ca -0.06 1.37 0.09 0.00 -1.56 0.00 0.00 55.97 55.81 3h08 s LYS 121 Cb -0.13 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 3h08 s LYS 121 CO -0.02 0.13 -0.11 0.14 0.16 0.00 0.00 175.35 175.65 3h08 s VAL 122 N 0.36 3.11 -1.17 4.02 -7.23 -0.35 -4.92 120.40 114.23 3h08 s VAL 122 Ca 0.47 -1.70 -0.16 0.00 -1.81 0.00 0.00 61.98 58.78 3h08 s VAL 122 Cb -0.22 -2.54 0.14 0.00 0.56 0.00 0.00 36.38 34.32 3h08 s VAL 122 CO 0.28 -0.12 1.43 -0.54 -0.31 0.00 0.00 175.10 175.84 3h08 s LYS 123 N -2.83 3.97 -0.58 4.82 -0.14 -1.26 -4.15 119.74 119.57 3h08 s LYS 123 Ca 0.25 -2.29 -0.27 0.00 -1.36 0.00 0.00 55.97 52.29 3h08 s LYS 123 Cb -0.09 -5.12 -0.01 0.00 -1.68 0.00 0.00 37.83 30.93 3h08 s LYS 123 CO 0.15 -1.86 1.69 0.20 -0.76 0.00 0.00 175.35 174.76 3h08 s GLY 124 N 3.27 0.51 0.00 -3.33 0.00 -1.26 -4.77 107.32 101.73 3h08 s GLY 124 Ca 0.43 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3h08 s GLY 124 CO -0.01 3.17 0.00 -1.26 0.00 0.00 0.00 173.10 175.01 3h08 n SER 126 N 11.35 0.00 -0.42 1.64 2.88 -1.26 -5.14 113.62 122.66 3h08 n SER 126 Ca 0.17 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.75 3h08 n SER 126 Cb 0.50 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.06 3h08 n SER 126 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3h08 n ASP 127 N 0.00 2.42 -4.76 -3.46 8.00 -1.26 -4.77 116.55 112.72 3h08 n ASP 127 Ca 0.00 -1.84 -0.41 0.00 0.71 0.00 0.00 54.79 53.25 3h08 n ASP 127 Cb 0.00 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 3h08 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h08 s ASN 128 N -0.92 6.79 0.47 -2.24 2.20 -1.26 -4.86 114.94 115.12 3h08 s ASN 128 Ca 0.15 2.62 0.25 0.00 -0.94 0.00 0.00 52.86 54.94 3h08 s ASN 128 Cb 0.08 -2.64 1.15 0.00 -2.00 0.00 0.00 41.25 37.85 3h08 s ASN 128 CO 0.11 -0.55 1.94 1.55 -2.94 0.00 0.00 177.10 177.20 3h08 h PRO 129 N 4.10 0.00 0.07 3.55 0.13 -1.98 -1.61 132.00 136.25 3h08 h PRO 129 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 3h08 h PRO 129 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3h08 h PRO 129 CO 0.70 0.19 -1.26 1.88 -0.23 0.00 0.00 178.00 179.28 3h08 h TYR 130 N 0.00 0.27 -0.01 1.56 0.05 -1.99 -2.18 116.97 114.66 3h08 h TYR 130 Ca -0.00 -0.19 -0.06 0.00 0.05 0.00 0.00 58.73 58.52 3h08 h TYR 130 Cb 0.56 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 3h08 h TYR 130 CO 0.00 1.49 -0.29 -0.91 -1.05 0.00 0.00 178.16 177.40 3h08 h ASN 131 N -0.56 0.02 -0.62 3.88 4.21 -1.92 -1.61 115.58 118.98 3h08 h ASN 131 Ca -0.29 -0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.19 3h08 h ASN 131 Cb 1.56 -0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.73 3h08 h ASN 131 CO -0.02 0.31 0.28 0.28 -1.29 0.00 0.00 177.43 176.99 3h08 h SER 132 N 0.02 0.83 -0.35 5.81 0.02 -1.34 -0.04 113.55 118.50 3h08 h SER 132 Ca -0.00 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3h08 h SER 132 Cb 0.52 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3h08 h SER 132 CO 0.04 0.74 0.12 -0.09 -1.14 0.00 0.00 176.83 176.50 3h08 h ARG 133 N 0.86 0.53 -0.90 3.45 9.65 -0.91 -1.12 114.38 125.94 3h08 h ARG 133 Ca 0.21 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 3h08 h ARG 133 Cb 0.15 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 3h08 h ARG 133 CO -0.02 0.54 0.58 0.00 2.80 0.00 0.00 179.97 183.87 3h08 h ALA 134 N 0.96 1.18 -0.47 2.80 0.00 -0.96 -0.03 119.26 122.75 3h08 h ALA 134 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h08 h ALA 134 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3h08 h ALA 134 CO -0.01 0.44 0.19 0.22 0.00 0.00 0.00 179.25 180.10 3h08 h ASP 135 N 1.13 0.65 -0.79 0.00 3.58 -0.86 -1.62 116.42 118.52 3h08 h ASP 135 Ca 0.36 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.67 3h08 h ASP 135 Cb -0.00 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.83 3h08 h ASP 135 CO -0.12 0.64 0.51 -0.08 -2.88 0.00 0.00 179.24 177.31 3h08 h GLU 136 N 0.62 0.97 -0.74 0.28 4.81 -0.67 -1.74 114.58 118.10 3h08 h GLU 136 Ca 0.16 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3h08 h GLU 136 Cb 0.19 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3h08 h GLU 136 CO -0.01 0.64 0.31 -0.07 -0.73 0.00 0.00 179.01 179.15 3h08 h LEU 137 N 1.00 1.01 -0.55 1.64 3.38 -0.73 0.13 115.31 121.18 3h08 h LEU 137 Ca 0.31 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3h08 h LEU 137 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3h08 h LEU 137 CO -0.10 0.89 0.17 0.00 0.09 0.00 0.00 178.44 179.49 3h08 h ALA 138 N 1.15 0.73 -0.18 1.53 0.00 -0.92 -1.67 119.26 119.90 3h08 h ALA 138 Ca 0.25 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3h08 h ALA 138 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h08 h ALA 138 CO -0.02 0.40 -0.52 0.00 0.00 0.00 0.00 179.25 179.10 3h08 h ARG 139 N 0.78 0.50 -0.72 0.00 3.08 -1.00 -2.55 114.38 114.48 3h08 h ARG 139 Ca 0.18 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3h08 h ARG 139 Cb 0.29 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 3h08 h ARG 139 CO -0.00 0.90 0.47 -0.07 -1.07 0.00 0.00 179.97 180.20 3h08 h LEU 140 N 0.39 0.82 -0.98 3.04 3.38 -0.57 -1.01 115.31 120.38 3h08 h LEU 140 Ca 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3h08 h LEU 140 Cb 1.04 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3h08 h LEU 140 CO 0.10 0.59 0.65 0.00 0.09 0.00 0.00 178.44 179.87 3h08 h ALA 141 N 1.26 1.24 -0.46 1.53 0.00 -0.92 -0.90 119.26 121.03 3h08 h ALA 141 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3h08 h ALA 141 Cb -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.27 3h08 h ALA 141 CO -0.06 0.64 0.16 0.82 0.00 0.00 0.00 179.25 180.81 3h08 h ILE 142 N 1.33 1.21 -0.56 0.00 2.04 -1.16 -2.15 117.51 118.23 3h08 h ILE 142 Ca 0.36 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3h08 h ILE 142 Cb -0.16 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3h08 h ILE 142 CO -0.08 0.25 0.17 0.50 0.00 0.00 0.00 178.15 178.99 3h08 h LYS 143 N 0.60 0.87 0.00 2.37 3.64 -0.70 -2.10 116.57 121.24 3h08 h LYS 143 Ca 0.15 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3h08 h LYS 143 Cb 0.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3h08 h LYS 143 CO -0.01 0.79 -0.40 0.93 -2.27 0.00 0.00 179.45 178.50 3h08 h GLU 144 N 0.78 0.00 0.00 1.90 5.08 -1.13 -3.51 114.58 117.69 3h08 h GLU 144 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3h08 h GLU 144 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3h08 h GLU 144 CO -0.01 0.40 0.00 0.09 -1.00 0.00 0.00 179.01 178.49