#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3acg s ALA 12 N 0.00 0.47 -0.23 2.89 0.00 -1.26 -4.39 121.76 119.24 3acg s ALA 12 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 3acg s ALA 12 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3acg s ALA 12 CO 0.00 -0.03 0.43 0.08 0.00 0.00 0.00 175.76 176.24 3acg s VAL 13 N 0.94 5.15 0.01 0.00 1.01 -0.25 -5.02 120.40 122.24 3acg s VAL 13 Ca -0.11 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.67 3acg s VAL 13 Cb -0.14 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3acg s VAL 13 CO -0.01 0.18 -0.17 0.68 0.00 0.00 0.00 175.10 175.78 3acg s VAL 14 N 1.77 1.35 0.03 2.92 -7.23 -1.26 -4.92 120.40 113.06 3acg s VAL 14 Ca 0.19 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3acg s VAL 14 Cb -0.15 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 35.63 3acg s VAL 14 CO 0.09 0.27 0.02 -1.84 -0.31 0.00 0.00 175.10 173.33 3acg n GLU 15 N 2.36 0.20 -1.34 4.82 0.28 -1.26 -5.13 120.64 120.56 3acg n GLU 15 Ca -0.16 -0.31 -0.31 0.00 -0.16 0.00 0.00 57.16 56.22 3acg n GLU 15 Cb 0.54 0.24 0.09 0.00 1.43 0.00 0.00 31.44 33.74 3acg n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3acg s ALA 16 N -2.12 2.27 0.25 -1.84 0.00 -1.26 -4.86 121.76 114.20 3acg s ALA 16 Ca 0.03 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 3acg s ALA 16 Cb 0.00 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 3acg s ALA 16 CO 0.02 -1.71 1.12 -2.30 0.00 0.00 0.00 175.76 172.90 3acg n PRO 17 N -3.31 1.42 -4.37 0.00 -0.02 -1.26 -4.97 135.00 122.49 3acg n PRO 17 Ca 0.09 0.50 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 3acg n PRO 17 Cb 0.53 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 3acg n PRO 17 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3acg s VAL 18 N -0.66 2.41 -0.98 -1.45 -7.23 -1.26 -5.05 120.40 106.18 3acg s VAL 18 Ca 0.64 -1.69 -0.16 0.00 -1.81 0.00 0.00 61.98 58.96 3acg s VAL 18 Cb -0.73 -2.08 0.17 0.00 0.56 0.00 0.00 36.38 34.30 3acg s VAL 18 CO 0.56 0.09 1.11 -0.70 -0.31 0.00 0.00 175.10 175.85 3acg s GLU 19 N -2.08 3.75 0.69 4.82 2.12 -1.26 -5.02 118.70 121.73 3acg s GLU 19 Ca 0.15 -2.21 -0.11 0.00 0.36 0.00 0.00 54.97 53.16 3acg s GLU 19 Cb -0.10 -4.80 0.00 0.00 0.26 0.00 0.00 34.13 29.49 3acg s GLU 19 CO 0.07 -1.61 1.06 -1.01 -0.54 0.00 0.00 175.26 173.23 3acg s HIS 20 N 1.54 3.24 0.98 5.30 3.76 -1.26 -4.71 115.29 124.13 3acg s HIS 20 Ca 0.31 1.32 -0.11 0.00 -0.15 0.00 0.00 55.06 56.43 3acg s HIS 20 Cb -0.06 -2.88 0.18 0.00 1.11 0.00 0.00 32.58 30.93 3acg s HIS 20 CO -0.07 -1.15 1.12 0.00 -0.85 0.00 0.00 174.74 173.79 3acg s ALA 21 N -3.12 1.00 0.52 -1.40 0.00 0.07 -4.91 121.76 113.91 3acg s ALA 21 Ca 0.58 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 3acg s ALA 21 Cb -0.13 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 3acg s ALA 21 CO 0.54 -3.05 1.13 -2.30 0.00 0.00 0.00 175.76 172.09 3acg n PRO 22 N -4.42 1.37 -0.12 0.00 -0.02 -1.26 -4.68 135.00 125.88 3acg n PRO 22 Ca 0.10 0.51 -0.07 0.00 -2.02 0.00 0.00 63.50 62.01 3acg n PRO 22 Cb 0.52 -2.29 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 3acg n PRO 22 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3acg h ILE 23 N 1.22 1.26 -0.44 4.25 6.09 -1.93 0.17 117.51 128.13 3acg h ILE 23 Ca -0.48 -1.24 0.00 0.00 -1.37 0.00 0.00 64.86 61.77 3acg h ILE 23 Cb 1.33 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.68 3acg h ILE 23 CO 0.55 0.42 0.00 0.61 -3.07 0.00 0.00 178.15 176.67 3acg n GLY 24 N -0.35 -0.29 3.20 8.18 0.00 -1.26 -0.55 105.19 114.12 3acg n GLY 24 Ca 0.01 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 3acg n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3acg s LYS 25 N 0.00 1.35 0.04 1.61 -0.14 -1.26 -4.30 119.74 117.04 3acg s LYS 25 Ca 0.00 -0.79 -0.36 0.00 -1.36 0.00 0.00 55.97 53.46 3acg s LYS 25 Cb 0.00 -1.38 -0.15 0.00 -1.68 0.00 0.00 37.83 34.61 3acg s LYS 25 CO 0.00 0.36 1.51 0.00 -0.76 0.00 0.00 175.35 176.46 3acg n ALA 26 N 2.19 -0.04 -3.68 5.17 0.00 -1.24 -3.49 120.51 119.42 3acg n ALA 26 Ca -0.16 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3acg n ALA 26 Cb 0.54 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.64 3acg n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3acg s THR 27 N 1.32 -0.04 -0.05 0.00 2.01 -1.12 -4.92 115.64 112.85 3acg s THR 27 Ca 0.85 0.14 0.02 0.00 0.31 0.00 0.00 61.69 63.02 3acg s THR 27 Cb -0.87 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 71.29 3acg s THR 27 CO 0.47 0.06 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.59 3acg s LEU 28 N 1.17 1.68 0.55 4.42 1.43 -1.26 -3.03 118.68 123.64 3acg s LEU 28 Ca -0.09 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 3acg s LEU 28 Cb -0.10 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 3acg s LEU 28 CO -0.08 0.05 1.34 -2.84 0.23 0.00 0.00 176.35 175.05 3acg s PRO 29 N 0.46 3.10 -0.38 1.29 0.02 -1.26 -5.09 135.00 133.15 3acg s PRO 29 Ca -0.09 2.20 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 3acg s PRO 29 Cb -0.13 -2.22 0.01 0.00 0.02 0.00 0.00 34.50 32.18 3acg s PRO 29 CO 0.02 -1.21 0.59 -1.12 -0.33 0.00 0.00 177.00 174.96 3acg s SER 30 N -1.02 6.36 -0.01 2.53 0.01 0.25 -4.86 113.70 116.97 3acg s SER 30 Ca 0.72 -0.05 0.08 0.00 1.31 0.00 0.00 55.95 58.01 3acg s SER 30 Cb -0.40 -2.30 -0.11 0.00 0.21 0.00 0.00 66.02 63.42 3acg s SER 30 CO 0.46 -0.61 0.27 0.35 0.41 0.00 0.00 173.24 174.13 3acg n THR 31 N 5.60 0.00 -1.26 1.44 -2.24 -1.26 -0.96 114.28 115.60 3acg n THR 31 Ca -0.03 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3acg n THR 31 Cb 0.48 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 3acg n THR 31 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3acg n PHE 32 N -1.47 0.00 0.81 4.78 3.72 -1.26 -4.64 117.46 119.40 3acg n PHE 32 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3acg n PHE 32 Cb 0.17 -2.40 0.50 0.00 -0.94 0.00 0.00 39.48 36.81 3acg n PHE 32 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3acg n GLU 33 N -0.96 0.01 -0.35 -1.08 -0.58 -1.26 -2.42 120.64 114.00 3acg n GLU 33 Ca -0.09 0.10 0.07 0.00 -0.42 0.00 0.00 57.16 56.82 3acg n GLU 33 Cb 0.51 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 30.11 3acg n GLU 33 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3acg n ASP 34 N -1.49 3.04 -1.65 1.62 5.68 -1.26 -4.92 116.55 117.56 3acg n ASP 34 Ca 0.06 -2.19 -0.21 0.00 -0.50 0.00 0.00 54.79 51.95 3acg n ASP 34 Cb 0.27 -0.42 -0.08 0.00 -1.14 0.00 0.00 41.12 39.75 3acg n ASP 34 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3acg n SER 35 N 0.74 -5.45 -4.71 -1.12 7.64 -1.02 -5.00 113.62 104.71 3acg n SER 35 Ca 0.17 0.47 -0.24 0.00 1.01 0.00 0.00 58.87 60.28 3acg n SER 35 Cb 0.55 -4.80 -0.07 0.00 -1.01 0.00 0.00 64.21 58.88 3acg n SER 35 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3acg s THR 36 N -2.76 2.62 -1.70 0.44 -4.23 -1.26 -4.41 115.64 104.34 3acg s THR 36 Ca 0.00 -1.75 0.20 0.00 -1.18 0.00 0.00 61.69 58.96 3acg s THR 36 Cb 0.00 -2.94 0.46 0.00 1.34 0.00 0.00 72.50 71.35 3acg s THR 36 CO 0.00 -0.11 1.62 0.54 -0.54 0.00 0.00 174.62 176.13 3acg n ARG 37 N -1.15 0.45 -4.01 3.99 1.74 0.59 -4.60 116.66 113.67 3acg n ARG 37 Ca -0.02 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 3acg n ARG 37 Cb 0.63 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.56 3acg n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3acg n GLN 38 N -1.15 -3.85 -0.29 5.56 6.02 -0.86 -0.75 117.38 122.05 3acg n GLN 38 Ca 0.12 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3acg n GLN 38 Cb 0.12 -4.97 0.00 0.00 1.02 0.00 0.00 30.24 26.41 3acg n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3acg n GLY 39 N -1.70 1.24 3.79 1.08 0.00 0.28 -2.78 105.19 107.11 3acg n GLY 39 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 3acg n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3acg s TRP 40 N -2.87 3.82 0.14 1.61 0.52 0.07 -3.93 118.94 118.30 3acg s TRP 40 Ca 0.00 1.48 -0.17 0.00 0.02 0.00 0.00 56.10 57.43 3acg s TRP 40 Cb 0.00 -2.66 0.04 0.00 -1.15 0.00 0.00 33.47 29.69 3acg s TRP 40 CO 0.00 0.49 0.44 0.00 0.02 0.00 0.00 176.95 177.90 3acg s ALA 41 N -1.23 -1.01 0.38 0.98 0.00 -0.23 -4.85 121.76 115.80 3acg s ALA 41 Ca 0.36 -0.01 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 3acg s ALA 41 Cb -0.21 0.74 -0.10 0.00 0.00 0.00 0.00 23.12 23.56 3acg s ALA 41 CO 0.23 -0.68 1.39 -1.58 0.00 0.00 0.00 175.76 175.12 3acg s TRP 42 N -3.81 2.75 0.60 0.00 0.23 -1.26 -0.69 118.94 116.76 3acg s TRP 42 Ca 0.04 1.30 -0.19 0.00 -2.03 0.00 0.00 56.10 55.22 3acg s TRP 42 Cb 0.01 -3.83 -0.03 0.00 0.03 0.00 0.00 33.47 29.64 3acg s TRP 42 CO -0.11 -2.47 1.20 -3.47 0.96 0.00 0.00 176.95 173.05 3acg n ASP 43 N 0.38 1.78 0.30 2.95 2.03 -0.50 -4.82 116.55 118.67 3acg n ASP 43 Ca 0.02 0.86 0.17 0.00 0.52 0.00 0.00 54.79 56.36 3acg n ASP 43 Cb 0.41 -1.50 0.97 0.00 -0.72 0.00 0.00 41.12 40.28 3acg n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3acg h ALA 44 N 0.76 1.33 -0.01 -1.67 0.00 -1.90 -0.78 119.26 116.99 3acg h ALA 44 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3acg h ALA 44 Cb 1.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3acg h ALA 44 CO 0.53 0.02 -0.19 0.25 0.00 0.00 0.00 179.25 179.87 3acg n THR 45 N -3.59 0.00 -1.69 0.00 -2.24 -1.26 -1.09 114.28 104.41 3acg n THR 45 Ca -0.03 -0.20 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 3acg n THR 45 Cb 0.11 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3acg n THR 45 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3acg n SER 46 N -0.20 2.83 0.23 3.42 2.88 -0.30 -4.84 113.62 117.65 3acg n SER 46 Ca 0.14 1.17 0.15 0.00 -1.33 0.00 0.00 58.87 59.00 3acg n SER 46 Cb 0.38 -1.46 0.51 0.00 -0.75 0.00 0.00 64.21 62.89 3acg n SER 46 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3acg h GLY 47 N 3.55 0.00 -6.47 0.46 0.00 -1.58 -3.41 103.07 95.63 3acg h GLY 47 Ca -0.46 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.23 3acg h GLY 47 CO 0.70 0.00 -0.65 0.14 0.00 0.00 0.00 176.54 176.74 3acg s VAL 48 N -3.46 4.08 -0.03 4.60 1.01 -1.25 -4.87 120.40 120.48 3acg s VAL 48 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3acg s VAL 48 Cb 0.08 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.69 3acg s VAL 48 CO 0.56 0.43 0.93 0.00 0.00 0.00 0.00 175.10 177.02 3acg n GLN 49 N 4.12 0.90 -1.70 2.72 1.13 -1.26 -4.75 117.38 118.53 3acg n GLN 49 Ca -0.17 -1.40 -0.30 0.00 -1.94 0.00 0.00 57.00 53.19 3acg n GLN 49 Cb 0.52 -0.86 0.18 0.00 0.11 0.00 0.00 30.24 30.19 3acg n GLN 49 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3acg s SER 50 N -1.28 2.80 0.21 1.08 1.04 -1.26 -4.91 113.70 111.38 3acg s SER 50 Ca 0.09 0.47 -0.31 0.00 0.48 0.00 0.00 55.95 56.67 3acg s SER 50 Cb 0.07 -0.65 -0.10 0.00 0.10 0.00 0.00 66.02 65.44 3acg s SER 50 CO 0.01 -2.94 1.54 0.00 0.98 0.00 0.00 173.24 172.83 3acg s ALA 51 N -3.61 3.74 -0.32 5.32 0.00 -1.26 -4.96 121.76 120.67 3acg s ALA 51 Ca 0.71 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 53.90 3acg s ALA 51 Cb -0.07 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3acg s ALA 51 CO 0.53 -0.80 0.41 -0.51 0.00 0.00 0.00 175.76 175.39 3acg s LEU 52 N 0.50 4.29 0.29 0.00 1.43 -1.26 -4.49 118.68 119.45 3acg s LEU 52 Ca 0.66 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 3acg s LEU 52 Cb -0.44 -2.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 3acg s LEU 52 CO 0.37 -0.33 -0.05 0.42 0.23 0.00 0.00 176.35 176.98 3acg s THR 53 N 2.14 1.67 -0.30 5.49 -4.23 -0.57 -0.75 115.64 119.10 3acg s THR 53 Ca 0.15 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 3acg s THR 53 Cb -0.16 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 3acg s THR 53 CO 0.12 -0.26 0.21 -0.63 -0.54 0.00 0.00 174.62 173.51 3acg s ILE 54 N -2.99 5.30 0.17 2.99 -1.09 -1.26 -0.97 121.20 123.35 3acg s ILE 54 Ca 0.30 0.05 0.09 0.00 -2.23 0.00 0.00 60.65 58.87 3acg s ILE 54 Cb 0.04 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 3acg s ILE 54 CO 0.13 0.17 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.27 3acg s LYS 55 N 1.75 1.32 0.17 2.79 1.02 -0.28 -4.90 119.74 121.61 3acg s LYS 55 Ca 0.07 -1.44 -0.30 0.00 0.02 0.00 0.00 55.97 54.32 3acg s LYS 55 Cb -0.16 -1.41 -0.07 0.00 -0.52 0.00 0.00 37.83 35.66 3acg s LYS 55 CO 0.11 0.29 1.07 -0.51 -0.92 0.00 0.00 175.35 175.38 3acg s ASP 56 N -2.70 7.32 -0.09 2.83 1.01 -1.26 -0.59 116.67 123.19 3acg s ASP 56 Ca 0.17 2.04 -0.02 0.00 0.71 0.00 0.00 52.55 55.45 3acg s ASP 56 Cb -0.06 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.30 3acg s ASP 56 CO 0.07 -0.17 0.02 0.00 0.21 0.00 0.00 175.17 175.30 3acg s ALA 57 N -0.27 0.67 -1.40 5.23 0.00 0.31 -4.87 121.76 121.43 3acg s ALA 57 Ca 0.48 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 3acg s ALA 57 Cb -0.28 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.06 3acg s ALA 57 CO 0.34 -0.61 0.81 -1.71 0.00 0.00 0.00 175.76 174.59 3acg n ASN 58 N 5.16 -2.64 -1.44 0.00 5.15 -1.26 -1.73 115.26 118.50 3acg n ASN 58 Ca -0.07 -0.81 -0.19 0.00 -0.60 0.00 0.00 54.58 52.91 3acg n ASN 58 Cb 0.50 -3.95 -0.08 0.00 -0.53 0.00 0.00 39.78 35.71 3acg n ASN 58 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3acg n GLU 59 N -4.45 -1.33 -4.08 1.20 1.02 -1.26 -5.01 120.64 106.71 3acg n GLU 59 Ca -0.16 1.16 -0.12 0.00 -0.02 0.00 0.00 57.16 58.02 3acg n GLU 59 Cb 0.62 -5.47 -0.11 0.00 -0.02 0.00 0.00 31.44 26.46 3acg n GLU 59 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3acg s SER 60 N -2.79 0.85 0.27 1.62 0.15 -0.71 -5.12 113.70 107.97 3acg s SER 60 Ca 0.00 -0.69 -0.29 0.00 0.70 0.00 0.00 55.95 55.66 3acg s SER 60 Cb 0.00 0.07 -0.09 0.00 -1.71 0.00 0.00 66.02 64.29 3acg s SER 60 CO 0.00 -0.31 1.16 -0.54 1.20 0.00 0.00 173.24 174.75 3acg s LYS 61 N -2.31 4.55 0.00 5.44 1.02 -1.26 -0.53 119.74 126.65 3acg s LYS 61 Ca -0.04 1.89 -0.04 0.00 0.02 0.00 0.00 55.97 57.81 3acg s LYS 61 Cb -0.05 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 3acg s LYS 61 CO -0.02 0.07 0.07 0.00 -0.92 0.00 0.00 175.35 174.55 3acg s ALA 62 N -0.89 -0.15 0.42 5.17 0.00 0.24 -4.56 121.76 122.00 3acg s ALA 62 Ca 0.47 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 3acg s ALA 62 Cb -0.33 0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 3acg s ALA 62 CO 0.42 -0.17 1.00 -1.50 0.00 0.00 0.00 175.76 175.51 3acg s ILE 63 N -1.23 4.01 -0.06 0.00 2.07 -0.81 -1.13 121.20 124.04 3acg s ILE 63 Ca -0.13 1.37 -0.23 0.00 -1.41 0.00 0.00 60.65 60.25 3acg s ILE 63 Cb -0.08 -3.63 0.05 0.00 0.13 0.00 0.00 42.46 38.94 3acg s ILE 63 CO 0.00 -0.15 0.53 -0.55 -1.91 0.00 0.00 174.94 172.86 3acg s SER 64 N -1.88 -0.48 0.23 4.50 0.15 -0.15 -0.73 113.70 115.35 3acg s SER 64 Ca 0.61 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.69 3acg s SER 64 Cb -0.16 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 3acg s SER 64 CO 0.20 -0.49 0.42 -1.66 1.20 0.00 0.00 173.24 172.91 3acg s TRP 65 N -1.02 0.46 -0.00 3.44 -2.14 -0.74 -1.51 118.94 117.42 3acg s TRP 65 Ca -0.10 -0.80 0.02 0.00 2.66 0.00 0.00 56.10 57.88 3acg s TRP 65 Cb -0.03 0.08 -0.03 0.00 -3.10 0.00 0.00 33.47 30.39 3acg s TRP 65 CO 0.07 -0.93 -0.04 -1.21 -2.66 0.00 0.00 176.95 172.18 3acg s GLU 66 N -4.03 2.65 -0.14 3.25 0.41 -1.26 -0.96 118.70 118.62 3acg s GLU 66 Ca 0.24 -0.67 -0.12 0.00 -0.41 0.00 0.00 54.97 54.01 3acg s GLU 66 Cb 0.01 -2.57 0.04 0.00 -1.78 0.00 0.00 34.13 29.82 3acg s GLU 66 CO 0.08 0.61 0.36 0.54 -0.49 0.00 0.00 175.26 176.36 3acg s VAL 67 N -1.02 -0.00 -0.21 2.63 0.11 -0.23 -4.91 120.40 116.76 3acg s VAL 67 Ca 0.18 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.23 3acg s VAL 67 Cb -0.11 -0.50 0.06 0.00 -1.53 0.00 0.00 36.38 34.29 3acg s VAL 67 CO 0.08 0.01 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.10 3acg s LYS 68 N 0.35 1.18 0.54 1.54 2.20 -1.26 -1.30 119.74 122.99 3acg s LYS 68 Ca -0.01 -0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 54.68 3acg s LYS 68 Cb -0.03 -2.35 -0.06 0.00 -1.51 0.00 0.00 37.83 33.88 3acg s LYS 68 CO -0.01 -0.61 1.16 0.71 -0.36 0.00 0.00 175.35 176.24 3acg s TYR 69 N 1.61 2.63 0.52 4.03 2.02 -1.02 -4.95 117.35 122.20 3acg s TYR 69 Ca -0.03 1.53 -0.23 0.00 -0.37 0.00 0.00 57.07 57.97 3acg s TYR 69 Cb -0.18 -3.36 -0.06 0.00 -0.40 0.00 0.00 41.96 37.96 3acg s TYR 69 CO -0.07 -1.74 1.31 -2.30 -1.57 0.00 0.00 175.55 171.18 3acg n PRO 70 N -1.22 1.71 -0.01 -1.71 -0.02 -1.26 -4.93 135.00 127.57 3acg n PRO 70 Ca 0.11 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 62.16 3acg n PRO 70 Cb 0.50 -2.50 0.14 0.00 -0.02 0.00 0.00 33.50 31.62 3acg n PRO 70 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3acg h GLU 71 N 1.55 0.55 -5.90 -0.52 5.08 -1.94 -3.39 114.58 110.01 3acg h GLU 71 Ca -0.50 -0.25 -0.60 0.00 -1.00 0.00 0.00 59.36 57.01 3acg h GLU 71 Cb 1.31 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.44 3acg h GLU 71 CO 0.57 0.81 0.48 0.08 -1.00 0.00 0.00 179.01 179.95 3acg s VAL 72 N -4.36 4.70 -0.11 3.13 1.01 -1.26 -5.02 120.40 118.49 3acg s VAL 72 Ca -0.07 1.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.82 3acg s VAL 72 Cb 0.13 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3acg s VAL 72 CO 0.81 -0.40 0.63 -0.54 0.00 0.00 0.00 175.10 175.60 3acg s LYS 73 N 3.19 4.37 0.58 2.72 -0.14 -1.26 -5.02 119.74 124.18 3acg s LYS 73 Ca 0.34 0.72 -0.20 0.00 -1.36 0.00 0.00 55.97 55.47 3acg s LYS 73 Cb -0.13 -3.47 -0.04 0.00 -1.68 0.00 0.00 37.83 32.51 3acg s LYS 73 CO 0.16 0.03 1.33 -2.14 -0.76 0.00 0.00 175.35 173.97 3acg s PRO 74 N 0.98 2.95 0.13 -1.68 0.02 -1.26 -4.95 135.00 131.19 3acg s PRO 74 Ca 0.33 2.16 -0.23 0.00 0.02 0.00 0.00 61.00 63.28 3acg s PRO 74 Cb -0.17 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 3acg s PRO 74 CO 0.14 -1.32 1.67 0.28 -0.33 0.00 0.00 177.00 177.44 3acg h VAL 75 N 1.14 0.60 -2.87 3.83 2.07 -2.04 -3.42 116.25 115.56 3acg h VAL 75 Ca -0.51 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.45 3acg h VAL 75 Cb 1.31 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3acg h VAL 75 CO 0.56 0.00 0.91 -0.62 0.02 0.00 0.00 177.57 178.44 3acg s ASP 76 N -5.03 6.90 0.14 0.57 -1.08 -1.26 -4.93 116.67 111.97 3acg s ASP 76 Ca -0.14 1.83 0.19 0.00 -0.52 0.00 0.00 52.55 53.91 3acg s ASP 76 Cb 0.10 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.83 3acg s ASP 76 CO 0.67 -0.77 1.60 0.61 0.52 0.00 0.00 175.17 177.80 3acg n GLY 77 N 3.69 -1.15 0.59 2.66 0.00 -1.26 -2.12 105.19 107.59 3acg n GLY 77 Ca 0.14 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.28 3acg n GLY 77 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3acg n TRP 78 N -1.89 0.00 -0.28 1.61 7.02 -1.26 -4.31 117.44 118.34 3acg n TRP 78 Ca 0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.47 3acg n TRP 78 Cb 0.20 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.17 3acg n TRP 78 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3acg h ALA 79 N 3.54 0.98 -0.38 6.99 0.00 -1.82 -1.78 119.26 126.79 3acg h ALA 79 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3acg h ALA 79 Cb 0.72 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3acg h ALA 79 CO 0.00 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 3acg n SER 80 N -4.58 2.50 -4.77 0.00 3.41 -1.26 -3.76 113.62 105.16 3acg n SER 80 Ca 0.08 -1.91 -0.39 0.00 -0.26 0.00 0.00 58.87 56.38 3acg n SER 80 Cb 0.04 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 3acg n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3acg s ALA 81 N -1.51 3.49 0.09 7.33 0.00 -0.67 -4.47 121.76 126.02 3acg s ALA 81 Ca 0.34 0.14 -0.36 0.00 0.00 0.00 0.00 51.96 52.08 3acg s ALA 81 Cb 0.18 -2.80 -0.16 0.00 0.00 0.00 0.00 23.12 20.35 3acg s ALA 81 CO 0.25 0.23 1.46 -2.30 0.00 0.00 0.00 175.76 175.40 3acg n PRO 82 N 2.27 1.53 -3.62 0.00 -0.02 -1.24 -2.52 135.00 131.39 3acg n PRO 82 Ca -0.07 0.55 -0.29 0.00 -2.02 0.00 0.00 63.50 61.67 3acg n PRO 82 Cb 0.50 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 3acg n PRO 82 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3acg s ARG 83 N 0.87 0.52 -0.01 -0.52 3.52 -1.26 -1.47 118.95 120.60 3acg s ARG 83 Ca 0.83 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3acg s ARG 83 Cb -0.86 -1.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.90 3acg s ARG 83 CO 0.45 -1.04 0.05 -1.50 -0.81 0.00 0.00 175.30 172.45 3acg s ILE 84 N 1.67 4.53 -0.03 4.11 2.07 -0.21 -1.41 121.20 131.93 3acg s ILE 84 Ca 0.11 -0.46 -0.03 0.00 -1.41 0.00 0.00 60.65 58.86 3acg s ILE 84 Cb -0.18 -3.04 0.01 0.00 0.13 0.00 0.00 42.46 39.38 3acg s ILE 84 CO -0.26 0.38 0.09 -0.32 -1.91 0.00 0.00 174.94 172.92 3acg s MET 85 N -1.62 0.10 -0.61 3.50 -2.45 0.14 -0.92 119.30 117.44 3acg s MET 85 Ca 0.21 0.11 -0.12 0.00 -1.25 0.00 0.00 55.69 54.64 3acg s MET 85 Cb -0.12 0.05 0.15 0.00 1.25 0.00 0.00 34.83 36.17 3acg s MET 85 CO 0.12 -0.01 0.52 -1.17 1.05 0.00 0.00 175.02 175.53 3acg s LEU 86 N 0.03 6.11 0.21 4.11 2.96 0.75 -1.07 118.68 131.79 3acg s LEU 86 Ca -0.00 -2.18 -0.24 0.00 -0.22 0.00 0.00 54.13 51.48 3acg s LEU 86 Cb -0.01 -2.12 -0.08 0.00 0.50 0.00 0.00 46.19 44.48 3acg s LEU 86 CO 0.00 -0.68 0.79 -0.83 -1.32 0.00 0.00 176.35 174.31 3acg s GLY 87 N 2.64 2.82 -1.74 7.98 0.00 -1.25 -2.00 107.32 115.77 3acg s GLY 87 Ca 0.09 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3acg s GLY 87 CO -0.02 0.79 0.00 0.70 0.00 0.00 0.00 173.10 174.57 3acg n ASN 88 N 1.16 -5.30 0.14 1.64 3.02 -0.70 -4.87 115.26 110.35 3acg n ASN 88 Ca -0.03 0.17 0.02 0.00 -0.03 0.00 0.00 54.58 54.70 3acg n ASN 88 Cb 0.50 -4.51 0.35 0.00 -0.61 0.00 0.00 39.78 35.50 3acg n ASN 88 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3acg h VAL 89 N 0.00 1.23 -6.34 2.41 3.04 -1.10 -3.48 116.25 112.02 3acg h VAL 89 Ca -0.43 -1.09 -0.46 0.00 -1.01 0.00 0.00 66.70 63.71 3acg h VAL 89 Cb 1.30 1.48 0.03 0.00 -2.01 0.00 0.00 31.29 32.09 3acg h VAL 89 CO 0.54 0.32 -0.92 0.59 -1.01 0.00 0.00 177.57 177.10 3acg n ASN 90 N -4.17 -3.24 -5.02 3.17 5.03 -0.87 -4.98 115.26 105.18 3acg n ASN 90 Ca -0.01 -1.01 -0.20 0.00 0.87 0.00 0.00 54.58 54.23 3acg n ASN 90 Cb 0.36 -3.25 0.05 0.00 -1.02 0.00 0.00 39.78 35.92 3acg n ASN 90 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3acg s THR 91 N -3.65 2.16 0.04 3.41 -1.32 -0.62 -4.79 115.64 110.86 3acg s THR 91 Ca 0.28 -1.04 -0.01 0.00 -1.21 0.00 0.00 61.69 59.71 3acg s THR 91 Cb -0.10 -2.20 -0.03 0.00 -1.51 0.00 0.00 72.50 68.66 3acg s THR 91 CO 0.87 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 173.68 3acg s THR 92 N -2.65 0.17 -0.04 5.08 -4.23 -1.26 -0.22 115.64 112.49 3acg s THR 92 Ca 0.59 -1.41 0.25 0.00 -1.18 0.00 0.00 61.69 59.94 3acg s THR 92 Cb -0.06 -0.98 0.28 0.00 1.34 0.00 0.00 72.50 73.08 3acg s THR 92 CO 0.37 -0.78 1.78 0.08 -0.54 0.00 0.00 174.62 175.53 3acg h ARG 93 N 3.77 0.00 0.00 3.99 0.11 -1.79 -3.49 114.38 116.97 3acg h ARG 93 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 3acg h ARG 93 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 3acg h ARG 93 CO 0.55 0.15 0.00 0.41 0.10 0.00 0.00 179.97 181.18 3acg n GLY 94 N 0.46 2.88 0.91 0.08 0.00 -0.63 -1.93 105.19 106.97 3acg n GLY 94 Ca 0.01 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.70 3acg n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3acg n ASN 95 N 0.73 2.52 -4.75 1.61 2.04 -1.26 -4.33 115.26 111.83 3acg n ASN 95 Ca 0.00 -2.27 -0.39 0.00 -0.44 0.00 0.00 54.58 51.48 3acg n ASN 95 Cb 0.00 -0.47 -0.05 0.00 -2.53 0.00 0.00 39.78 36.73 3acg n ASN 95 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 3acg s ASN 96 N -0.50 7.08 0.15 0.53 -0.87 -0.81 -4.97 114.94 115.55 3acg s ASN 96 Ca 0.21 1.29 0.10 0.00 -1.57 0.00 0.00 52.86 52.89 3acg s ASN 96 Cb 0.15 -2.42 -0.13 0.00 -0.02 0.00 0.00 41.25 38.84 3acg s ASN 96 CO 0.08 0.03 1.26 0.50 -2.57 0.00 0.00 177.10 176.40 3acg h LYS 97 N 5.80 0.00 -5.79 -0.60 1.63 -1.75 -3.47 116.57 112.39 3acg h LYS 97 Ca -0.44 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 58.87 3acg h LYS 97 Cb 1.20 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.64 3acg h LYS 97 CO 0.71 0.77 -0.79 0.71 -3.45 0.00 0.00 179.45 177.41 3acg s TYR 98 N -2.79 1.65 -0.06 1.91 2.02 -0.22 -0.61 117.35 119.26 3acg s TYR 98 Ca 0.01 -0.48 -0.00 0.00 -0.37 0.00 0.00 57.07 56.23 3acg s TYR 98 Cb 0.09 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 3acg s TYR 98 CO 0.80 0.23 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.82 3acg s LEU 99 N -2.37 3.46 0.07 -1.29 0.20 -0.64 -0.88 118.68 117.24 3acg s LEU 99 Ca 0.10 0.06 -0.06 0.00 0.69 0.00 0.00 54.13 54.92 3acg s LEU 99 Cb -0.07 -1.84 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 3acg s LEU 99 CO 0.05 0.35 0.11 0.28 -0.29 0.00 0.00 176.35 176.84 3acg s THR 100 N -0.93 0.16 0.08 3.68 -1.32 0.31 -0.80 115.64 116.82 3acg s THR 100 Ca 0.15 -1.34 -0.26 0.00 -1.21 0.00 0.00 61.69 59.03 3acg s THR 100 Cb -0.11 -1.30 0.08 0.00 -1.51 0.00 0.00 72.50 69.66 3acg s THR 100 CO 0.04 -0.74 0.70 0.72 -2.21 0.00 0.00 174.62 173.14 3acg s PHE 101 N -3.61 -0.49 0.05 9.09 -0.12 -0.83 -1.07 117.98 120.99 3acg s PHE 101 Ca 0.03 0.40 -0.29 0.00 -0.05 0.00 0.00 56.93 57.02 3acg s PHE 101 Cb 0.05 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 3acg s PHE 101 CO -0.09 -0.72 0.94 -0.51 -0.05 0.00 0.00 175.22 174.79 3acg s ASP 102 N -2.44 7.40 -0.09 1.98 1.01 -0.00 -0.77 116.67 123.76 3acg s ASP 102 Ca 0.01 1.68 0.00 0.00 0.71 0.00 0.00 52.55 54.95 3acg s ASP 102 Cb -0.01 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.38 3acg s ASP 102 CO -0.09 -0.14 -0.08 0.12 0.21 0.00 0.00 175.17 175.19 3acg s PHE 103 N 0.46 1.33 0.10 4.23 5.36 0.35 -1.21 117.98 128.60 3acg s PHE 103 Ca 0.48 -0.58 0.10 0.00 -0.96 0.00 0.00 56.93 55.97 3acg s PHE 103 Cb -0.22 -1.09 -0.04 0.00 -0.34 0.00 0.00 43.02 41.33 3acg s PHE 103 CO 0.28 -0.40 -0.26 0.71 -1.46 0.00 0.00 175.22 174.09 3acg s TYR 104 N 1.36 2.23 -0.03 10.12 2.02 -0.11 -0.73 117.35 132.21 3acg s TYR 104 Ca -0.02 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.36 3acg s TYR 104 Cb -0.14 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3acg s TYR 104 CO -0.04 0.25 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.43 3acg s LEU 105 N -1.76 2.05 -0.53 -1.29 1.43 -0.46 -1.25 118.68 116.87 3acg s LEU 105 Ca 0.12 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3acg s LEU 105 Cb -0.10 -1.30 0.16 0.00 0.03 0.00 0.00 46.19 44.97 3acg s LEU 105 CO 0.04 0.30 0.35 -0.75 0.23 0.00 0.00 176.35 176.52 3acg s LYS 106 N -0.51 1.63 0.34 1.70 2.20 0.50 -0.84 119.74 124.77 3acg s LYS 106 Ca 0.07 -2.53 -0.27 0.00 -0.36 0.00 0.00 55.97 52.89 3acg s LYS 106 Cb -0.10 -2.52 -0.09 0.00 -1.51 0.00 0.00 37.83 33.60 3acg s LYS 106 CO -0.00 -1.26 1.15 -2.14 -0.36 0.00 0.00 175.35 172.74 3acg s PRO 107 N -0.38 4.34 0.14 4.03 0.02 -1.26 -1.34 135.00 140.56 3acg s PRO 107 Ca 0.24 1.84 0.21 0.00 0.02 0.00 0.00 61.00 63.32 3acg s PRO 107 Cb -0.10 -2.92 -0.07 0.00 0.02 0.00 0.00 34.50 31.43 3acg s PRO 107 CO -0.11 -0.07 0.91 0.25 -0.33 0.00 0.00 177.00 177.66 3acg n THR 108 N 0.59 0.66 -3.73 0.99 -2.24 0.12 -4.93 114.28 105.74 3acg n THR 108 Ca 0.02 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 3acg n THR 108 Cb 0.45 -0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.18 3acg n THR 108 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3acg s GLN 109 N -3.29 0.19 -0.30 -0.78 2.00 -0.93 -4.96 119.66 111.60 3acg s GLN 109 Ca -0.02 0.50 -0.06 0.00 -2.00 0.00 0.00 55.36 53.78 3acg s GLN 109 Cb 0.10 -0.13 0.19 0.00 0.80 0.00 0.00 33.01 33.96 3acg s GLN 109 CO 0.81 -0.16 0.83 0.00 -0.50 0.00 0.00 175.29 176.27 3acg s ALA 110 N 1.24 -2.99 0.00 1.58 0.00 -1.26 -1.37 121.76 118.95 3acg s ALA 110 Ca -0.09 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3acg s ALA 110 Cb -0.11 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3acg s ALA 110 CO -0.08 -1.58 0.00 -1.13 0.00 0.00 0.00 175.76 172.97 3acg n SER 111 N 5.39 0.00 -3.82 0.00 3.41 -1.26 -4.81 113.62 112.53 3acg n SER 111 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3acg n SER 111 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 3acg n SER 111 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3acg s LYS 112 N 0.00 1.08 2.20 4.33 -2.85 -1.26 -3.96 119.74 119.27 3acg s LYS 112 Ca 0.00 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 3acg s LYS 112 Cb 0.00 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 3acg s LYS 112 CO 0.00 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.46 3acg n GLY 113 N -0.19 -0.61 3.38 0.59 0.00 -1.25 -2.77 105.19 104.33 3acg n GLY 113 Ca -0.12 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3acg n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3acg s SER 114 N -4.00 -0.02 -0.13 1.61 1.04 -0.32 -0.72 113.70 111.17 3acg s SER 114 Ca 0.00 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 55.58 3acg s SER 114 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3acg s SER 114 CO 0.00 -0.93 0.09 -0.76 0.98 0.00 0.00 173.24 172.62 3acg s LEU 115 N -2.95 4.07 -0.26 2.42 1.43 -0.38 -0.07 118.68 122.94 3acg s LEU 115 Ca 0.16 0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3acg s LEU 115 Cb 0.02 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3acg s LEU 115 CO -0.00 0.35 -0.06 -0.89 0.23 0.00 0.00 176.35 175.98 3acg s THR 116 N -0.67 2.73 -0.27 5.49 2.01 0.04 -0.48 115.64 124.48 3acg s THR 116 Ca 0.12 -1.27 -0.13 0.00 0.31 0.00 0.00 61.69 60.73 3acg s THR 116 Cb -0.12 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 3acg s THR 116 CO 0.02 0.06 0.28 -0.63 -0.69 0.00 0.00 174.62 173.67 3acg s ILE 117 N 1.25 5.25 0.10 1.82 1.01 0.69 -0.48 121.20 130.84 3acg s ILE 117 Ca -0.03 0.36 0.07 0.00 0.00 0.00 0.00 60.65 61.05 3acg s ILE 117 Cb -0.18 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3acg s ILE 117 CO -0.04 0.21 -0.09 -0.44 0.00 0.00 0.00 174.94 174.59 3acg s SER 118 N 1.67 4.49 -0.06 3.58 0.01 -0.24 -1.53 113.70 121.61 3acg s SER 118 Ca 0.11 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.06 3acg s SER 118 Cb -0.16 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.18 3acg s SER 118 CO 0.10 0.18 -0.22 -0.22 0.41 0.00 0.00 173.24 173.49 3acg s LEU 119 N -2.22 2.01 0.18 2.44 2.96 -1.26 -1.01 118.68 121.78 3acg s LEU 119 Ca 0.22 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3acg s LEU 119 Cb -0.11 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3acg s LEU 119 CO 0.14 0.19 0.11 0.00 -1.32 0.00 0.00 176.35 175.47 3acg s ALA 120 N 0.04 1.06 0.27 5.97 0.00 0.11 -1.02 121.76 128.17 3acg s ALA 120 Ca -0.07 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.30 3acg s ALA 120 Cb -0.14 1.23 -0.06 0.00 0.00 0.00 0.00 23.12 24.15 3acg s ALA 120 CO 0.04 -0.56 0.03 -0.06 0.00 0.00 0.00 175.76 175.22 3acg s PHE 121 N -4.12 1.68 -0.48 0.00 0.08 0.45 -0.22 117.98 115.37 3acg s PHE 121 Ca 0.34 -0.98 0.03 0.00 0.12 0.00 0.00 56.93 56.44 3acg s PHE 121 Cb 0.07 -1.02 0.13 0.00 -0.57 0.00 0.00 43.02 41.63 3acg s PHE 121 CO 0.09 -0.08 0.24 0.00 -0.10 0.00 0.00 175.22 175.37 3acg s ALA 122 N -3.44 2.78 -0.21 5.36 0.00 -0.58 -0.96 121.76 124.72 3acg s ALA 122 Ca 0.33 -2.95 -0.20 0.00 0.00 0.00 0.00 51.96 49.14 3acg s ALA 122 Cb 0.07 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3acg s ALA 122 CO 0.12 -2.03 0.59 -2.14 0.00 0.00 0.00 175.76 172.30 3acg s PRO 123 N 0.03 4.18 0.64 0.00 0.02 -1.26 -0.75 135.00 137.86 3acg s PRO 123 Ca 0.17 0.53 0.43 0.00 0.02 0.00 0.00 61.00 62.15 3acg s PRO 123 Cb -0.25 -3.59 2.32 0.00 0.02 0.00 0.00 34.50 33.00 3acg s PRO 123 CO -0.00 -0.25 2.31 -1.35 -0.33 0.00 0.00 177.00 177.38 3acg h PRO 124 N 7.57 0.00 -0.00 5.54 0.11 -1.95 -0.42 132.00 142.85 3acg h PRO 124 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3acg h PRO 124 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3acg h PRO 124 CO 0.76 0.00 -0.18 -1.13 -0.21 0.00 0.00 178.00 177.24 3acg n SER 125 N -3.00 0.33 -2.44 -2.05 3.41 -1.26 -3.98 113.62 104.62 3acg n SER 125 Ca -0.03 -0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 3acg n SER 125 Cb 0.07 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3acg n SER 125 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3acg n LEU 126 N -1.28 3.27 -0.46 1.04 4.77 -0.29 -4.96 117.00 119.09 3acg n LEU 126 Ca 0.10 -3.99 -0.06 0.00 -0.03 0.00 0.00 56.01 52.03 3acg n LEU 126 Cb 0.31 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3acg n LEU 126 CO 0.28 1.63 -0.06 0.61 -1.33 0.00 0.00 177.39 178.52 3acg n GLY 127 N -0.61 0.81 2.41 -0.72 0.00 -1.23 -2.76 105.19 103.09 3acg n GLY 127 Ca 0.26 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 3acg n GLY 127 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3acg n PHE 128 N -2.66 -0.22 -3.64 1.61 3.72 -0.46 -4.96 117.46 110.84 3acg n PHE 128 Ca -0.06 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.29 3acg n PHE 128 Cb 0.28 -2.87 -0.06 0.00 -0.94 0.00 0.00 39.48 35.88 3acg n PHE 128 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3acg s TRP 129 N -2.64 -1.14 -0.10 1.38 -0.11 -1.11 -4.34 118.94 110.89 3acg s TRP 129 Ca 0.00 2.17 -0.04 0.00 1.22 0.00 0.00 56.10 59.45 3acg s TRP 129 Cb 0.00 0.68 0.05 0.00 -1.50 0.00 0.00 33.47 32.70 3acg s TRP 129 CO 0.00 -0.56 0.21 0.00 -4.62 0.00 0.00 176.95 171.97 3acg s ALA 130 N 1.99 -0.40 -0.12 5.86 0.00 -0.13 -4.80 121.76 124.17 3acg s ALA 130 Ca -0.09 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3acg s ALA 130 Cb -0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3acg s ALA 130 CO -0.20 -0.36 -0.17 -1.14 0.00 0.00 0.00 175.76 173.89 3acg s GLN 131 N 1.72 3.26 0.25 0.00 0.74 -1.26 -0.41 119.66 123.96 3acg s GLN 131 Ca -0.04 -0.75 -0.30 0.00 0.05 0.00 0.00 55.36 54.31 3acg s GLN 131 Cb -0.11 -2.52 -0.10 0.00 1.10 0.00 0.00 33.01 31.38 3acg s GLN 131 CO -0.07 0.20 1.42 0.00 -0.55 0.00 0.00 175.29 176.29 3acg s ALA 132 N 0.36 3.61 0.34 1.58 0.00 -0.19 -0.67 121.76 126.79 3acg s ALA 132 Ca -0.14 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.22 3acg s ALA 132 Cb -0.17 -3.55 0.60 0.00 0.00 0.00 0.00 23.12 20.01 3acg s ALA 132 CO 0.07 -0.72 1.79 1.15 0.00 0.00 0.00 175.76 178.05 3acg h THR 133 N 3.52 1.26 -0.67 0.00 2.02 -1.32 -3.39 112.91 114.33 3acg h THR 133 Ca -0.46 -1.23 -0.73 0.00 0.77 0.00 0.00 66.41 64.76 3acg h THR 133 Cb 1.22 1.51 -0.09 0.00 -1.74 0.00 0.00 68.15 69.05 3acg h THR 133 CO 0.77 0.37 2.62 0.61 0.37 0.00 0.00 175.52 180.26 3acg n GLY 134 N -0.47 4.60 3.75 2.16 0.00 -1.26 -4.96 105.19 109.01 3acg n GLY 134 Ca -0.01 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3acg n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3acg n ASP 135 N 4.88 3.22 -4.43 1.61 8.00 -1.26 -4.93 116.55 123.63 3acg n ASP 135 Ca 0.47 1.15 -0.34 0.00 0.71 0.00 0.00 54.79 56.78 3acg n ASP 135 Cb 0.37 -1.57 -0.13 0.00 -0.02 0.00 0.00 41.12 39.77 3acg n ASP 135 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3acg s VAL 136 N -1.17 3.73 -0.16 2.53 1.01 -0.58 -4.94 120.40 120.82 3acg s VAL 136 Ca 0.59 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 3acg s VAL 136 Cb -0.48 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3acg s VAL 136 CO 0.60 0.46 -0.01 0.21 0.00 0.00 0.00 175.10 176.36 3acg s ASN 137 N 0.78 5.04 -0.37 3.32 3.84 -1.26 -0.22 114.94 126.06 3acg s ASN 137 Ca -0.01 -0.07 -0.04 0.00 0.21 0.00 0.00 52.86 52.94 3acg s ASN 137 Cb -0.14 -1.84 0.07 0.00 -0.55 0.00 0.00 41.25 38.79 3acg s ASN 137 CO 0.02 0.17 0.14 -0.63 -2.79 0.00 0.00 177.10 174.01 3acg s ILE 138 N 0.37 3.47 0.15 -5.21 1.01 0.37 -4.97 121.20 116.40 3acg s ILE 138 Ca -0.02 -1.58 -0.30 0.00 0.00 0.00 0.00 60.65 58.74 3acg s ILE 138 Cb -0.14 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.10 3acg s ILE 138 CO 0.02 -0.41 1.26 -2.84 0.00 0.00 0.00 174.94 172.97 3acg s PRO 139 N 1.27 4.43 0.40 2.79 0.02 -1.26 -1.24 135.00 141.41 3acg s PRO 139 Ca 0.02 1.93 0.21 0.00 0.02 0.00 0.00 61.00 63.18 3acg s PRO 139 Cb -0.21 -3.25 0.76 0.00 0.02 0.00 0.00 34.50 31.82 3acg s PRO 139 CO -0.01 -0.22 1.76 -0.07 -0.33 0.00 0.00 177.00 178.14 3acg h LEU 140 N 5.81 0.00 -1.55 -5.54 3.38 -1.18 -2.42 115.31 113.81 3acg h LEU 140 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3acg h LEU 140 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3acg h LEU 140 CO 0.78 0.31 0.00 0.77 0.09 0.00 0.00 178.44 180.39 3acg h SER 141 N 0.00 0.00 1.17 -0.43 4.64 -1.75 -2.14 113.55 115.05 3acg h SER 141 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3acg h SER 141 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3acg h SER 141 CO 0.04 0.00 -0.16 0.77 -0.87 0.00 0.00 176.83 176.61 3acg h SER 142 N 0.00 0.00 0.21 4.97 4.64 -1.81 -3.32 113.55 118.23 3acg h SER 142 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3acg h SER 142 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3acg h SER 142 CO 0.00 0.16 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.37 3acg h LEU 143 N 0.00 0.50 -1.76 5.97 3.38 -1.51 -3.17 115.31 118.72 3acg h LEU 143 Ca -0.00 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3acg h LEU 143 Cb 0.78 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3acg h LEU 143 CO 0.02 1.04 -0.12 0.77 0.09 0.00 0.00 178.44 180.23 3acg h SER 144 N 0.31 0.00 0.75 -0.43 4.64 -1.76 0.44 113.55 117.50 3acg h SER 144 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3acg h SER 144 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3acg h SER 144 CO 0.12 0.12 -0.06 0.29 -0.87 0.00 0.00 176.83 176.43 3acg n LYS 145 N -4.38 0.20 -2.94 4.77 5.02 -1.20 -4.88 118.16 114.75 3acg n LYS 145 Ca -0.03 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.84 3acg n LYS 145 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 3acg n LYS 145 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3acg s MET 146 N -2.82 4.55 0.21 1.97 1.75 0.14 -5.03 119.30 120.08 3acg s MET 146 Ca 0.20 1.16 -0.30 0.00 -1.25 0.00 0.00 55.69 55.49 3acg s MET 146 Cb 0.19 -3.33 -0.09 0.00 2.84 0.00 0.00 34.83 34.44 3acg s MET 146 CO 0.52 0.36 1.39 0.21 -0.65 0.00 0.00 175.02 176.85 3acg s LYS 147 N -0.38 4.32 0.47 4.11 2.20 -1.26 -5.02 119.74 124.18 3acg s LYS 147 Ca 0.39 2.17 -0.04 0.00 -0.36 0.00 0.00 55.97 58.13 3acg s LYS 147 Cb -0.22 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3acg s LYS 147 CO 0.25 -0.36 0.75 0.15 -0.36 0.00 0.00 175.35 175.78 3acg s LYS 148 N 0.01 3.49 1.03 4.03 1.02 -1.26 -4.72 119.74 123.34 3acg s LYS 148 Ca 0.59 0.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.55 3acg s LYS 148 Cb -0.39 -2.42 0.21 0.00 -0.52 0.00 0.00 37.83 34.71 3acg s LYS 148 CO 0.39 -0.18 1.08 0.95 -0.92 0.00 0.00 175.35 176.67 3acg s THR 149 N -2.69 2.05 0.41 2.17 -4.23 0.44 -4.88 115.64 108.91 3acg s THR 149 Ca 0.47 0.02 0.34 0.00 -1.18 0.00 0.00 61.69 61.33 3acg s THR 149 Cb -0.10 -2.44 0.36 0.00 1.34 0.00 0.00 72.50 71.65 3acg s THR 149 CO 0.43 -0.02 2.14 0.71 -0.54 0.00 0.00 174.62 177.34 3acg h THR 150 N -2.02 0.29 -0.57 3.99 1.35 -1.99 -0.75 112.91 113.21 3acg h THR 150 Ca -0.56 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3acg h THR 150 Cb 1.33 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3acg h THR 150 CO 0.57 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 3acg n ASP 151 N -3.37 4.19 0.00 5.36 5.75 -1.26 -4.94 116.55 122.27 3acg n ASP 151 Ca -0.02 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3acg n ASP 151 Cb 0.20 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3acg n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3acg n GLY 152 N 1.05 0.57 3.77 6.12 0.00 -0.29 -4.99 105.19 111.43 3acg n GLY 152 Ca 0.22 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3acg n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3acg s LEU 153 N 0.00 3.70 -0.25 0.99 1.43 -1.26 -4.81 118.68 118.49 3acg s LEU 153 Ca 0.00 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 3acg s LEU 153 Cb 0.00 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3acg s LEU 153 CO 0.00 0.05 0.32 -0.31 0.23 0.00 0.00 176.35 176.64 3acg s TYR 154 N -1.85 3.29 -0.30 0.29 1.51 -0.02 -0.42 117.35 119.84 3acg s TYR 154 Ca 0.31 0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 56.67 3acg s TYR 154 Cb -0.09 -2.49 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 3acg s TYR 154 CO 0.23 -0.12 0.15 -1.58 -1.11 0.00 0.00 175.55 173.12 3acg s HIS 155 N 1.67 3.17 0.01 2.71 2.46 -1.26 -1.35 115.29 122.69 3acg s HIS 155 Ca 0.14 -0.49 0.03 0.00 0.47 0.00 0.00 55.06 55.21 3acg s HIS 155 Cb -0.15 -2.35 -0.03 0.00 -0.13 0.00 0.00 32.58 29.91 3acg s HIS 155 CO 0.09 -0.42 -0.08 -0.06 -2.47 0.00 0.00 174.74 171.80 3acg s PHE 156 N 1.63 2.86 -0.31 3.88 0.08 0.09 -4.99 117.98 121.22 3acg s PHE 156 Ca 0.05 -0.06 -0.05 0.00 0.12 0.00 0.00 56.93 56.99 3acg s PHE 156 Cb -0.17 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.72 3acg s PHE 156 CO 0.07 0.36 0.06 -1.14 -0.10 0.00 0.00 175.22 174.47 3acg s GLN 157 N -1.41 2.71 -0.13 0.44 0.74 -1.26 -0.50 119.66 120.25 3acg s GLN 157 Ca 0.17 -1.10 -0.07 0.00 0.05 0.00 0.00 55.36 54.41 3acg s GLN 157 Cb -0.11 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 3acg s GLN 157 CO 0.07 -0.58 0.11 0.08 -0.55 0.00 0.00 175.29 174.42 3acg s VAL 158 N 1.39 5.20 0.03 1.34 1.01 0.05 -4.94 120.40 124.48 3acg s VAL 158 Ca -0.01 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.14 3acg s VAL 158 Cb -0.19 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3acg s VAL 158 CO 0.01 0.57 -0.21 -0.54 0.00 0.00 0.00 175.10 174.93 3acg s LYS 159 N -0.63 1.48 -0.12 2.72 1.02 -1.26 -1.97 119.74 120.98 3acg s LYS 159 Ca 0.12 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3acg s LYS 159 Cb -0.12 -1.57 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 3acg s LYS 159 CO 0.02 0.41 -0.10 0.71 -0.92 0.00 0.00 175.35 175.47 3acg s TYR 160 N -0.74 1.70 -0.38 3.18 2.02 0.02 -5.00 117.35 118.15 3acg s TYR 160 Ca 0.08 -0.87 -0.28 0.00 -0.37 0.00 0.00 57.07 55.63 3acg s TYR 160 Cb -0.09 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 3acg s TYR 160 CO 0.01 -0.53 1.67 0.34 -1.57 0.00 0.00 175.55 175.47 3acg s ASP 161 N 1.51 6.00 0.00 2.29 -1.08 -1.26 -1.61 116.67 122.51 3acg s ASP 161 Ca 0.03 1.08 0.20 0.00 -0.52 0.00 0.00 52.55 53.34 3acg s ASP 161 Cb -0.13 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 39.85 3acg s ASP 161 CO -0.07 -1.66 1.64 0.18 0.52 0.00 0.00 175.17 175.77 3acg n LEU 162 N 9.95 0.00 -0.35 -1.34 4.77 0.22 -1.67 117.00 128.60 3acg n LEU 162 Ca 0.21 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 3acg n LEU 162 Cb 0.47 -0.25 0.48 0.00 -2.33 0.00 0.00 43.42 41.80 3acg n LEU 162 CO 0.69 -0.08 0.79 0.47 -1.33 0.00 0.00 177.39 177.93 3acg n ASP 163 N -1.25 1.19 -4.08 -1.43 8.00 -1.26 -4.59 116.55 113.14 3acg n ASP 163 Ca 0.10 -1.17 -0.36 0.00 0.71 0.00 0.00 54.79 54.07 3acg n ASP 163 Cb 0.15 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 3acg n ASP 163 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3acg s LYS 164 N -2.24 2.52 0.03 -1.24 1.02 -0.67 -5.05 119.74 114.11 3acg s LYS 164 Ca 0.32 -2.57 0.08 0.00 0.02 0.00 0.00 55.97 53.82 3acg s LYS 164 Cb 0.20 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3acg s LYS 164 CO 0.42 -1.17 -0.24 0.42 -0.92 0.00 0.00 175.35 173.86 3acg s ILE 165 N -0.13 1.94 0.81 2.17 -1.09 -1.26 -0.89 121.20 122.75 3acg s ILE 165 Ca 0.17 -1.23 -0.11 0.00 -2.23 0.00 0.00 60.65 57.25 3acg s ILE 165 Cb -0.21 -1.65 0.08 0.00 -1.58 0.00 0.00 42.46 39.10 3acg s ILE 165 CO -0.03 0.37 1.09 0.20 -1.23 0.00 0.00 174.94 175.33 3acg s ASN 166 N -1.04 4.23 -1.43 3.58 0.01 0.16 -4.17 114.94 116.28 3acg s ASN 166 Ca 0.10 1.56 0.00 0.00 -0.71 0.00 0.00 52.86 53.81 3acg s ASN 166 Cb -0.09 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3acg s ASN 166 CO 0.01 -2.17 0.00 0.47 -1.51 0.00 0.00 177.10 173.90 3acg n ASP 167 N -3.59 -4.62 -1.01 -1.22 8.00 -1.26 -2.39 116.55 110.47 3acg n ASP 167 Ca 0.08 0.26 -0.13 0.00 0.71 0.00 0.00 54.79 55.70 3acg n ASP 167 Cb 0.55 -3.47 -0.06 0.00 -0.02 0.00 0.00 41.12 38.12 3acg n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3acg n GLY 168 N -1.18 1.32 3.76 0.44 0.00 -1.26 -4.97 105.19 103.30 3acg n GLY 168 Ca -0.15 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3acg n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3acg s LYS 169 N -3.03 4.78 -0.14 1.61 1.02 -1.01 -5.04 119.74 117.95 3acg s LYS 169 Ca 0.00 1.42 0.02 0.00 0.02 0.00 0.00 55.97 57.43 3acg s LYS 169 Cb 0.00 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3acg s LYS 169 CO 0.00 0.49 -0.19 0.08 -0.92 0.00 0.00 175.35 174.81 3acg s VAL 170 N -1.24 1.88 -0.55 3.17 1.01 -1.26 -4.57 120.40 118.83 3acg s VAL 170 Ca 0.42 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 3acg s VAL 170 Cb -0.25 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.52 3acg s VAL 170 CO 0.30 0.51 0.75 -0.76 0.00 0.00 0.00 175.10 175.90 3acg s LEU 171 N 0.94 4.81 0.88 3.92 1.43 -1.26 -5.01 118.68 124.40 3acg s LEU 171 Ca -0.05 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 3acg s LEU 171 Cb -0.15 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 43.71 3acg s LEU 171 CO -0.03 -1.08 1.15 0.42 0.23 0.00 0.00 176.35 177.03 3acg s THR 172 N 3.10 2.02 0.45 5.49 -4.23 -1.26 -4.93 115.64 116.27 3acg s THR 172 Ca 0.18 0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.88 3acg s THR 172 Cb -0.19 -2.82 0.37 0.00 1.34 0.00 0.00 72.50 71.20 3acg s THR 172 CO 0.12 -0.01 1.93 0.00 -0.54 0.00 0.00 174.62 176.12 3acg h ALA 173 N -1.38 2.20 -0.38 3.99 0.00 -1.96 -2.32 119.26 119.41 3acg h ALA 173 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3acg h ALA 173 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3acg h ALA 173 CO 0.63 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.57 3acg n ASN 174 N -4.45 3.25 -4.67 0.00 3.02 -1.26 -1.60 115.26 109.54 3acg n ASN 174 Ca 0.14 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 3acg n ASN 174 Cb 0.55 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 3acg n ASN 174 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3acg s THR 175 N -1.26 3.59 0.12 3.41 2.01 -0.87 -4.94 115.64 117.70 3acg s THR 175 Ca 0.34 0.82 -0.31 0.00 0.31 0.00 0.00 61.69 62.86 3acg s THR 175 Cb 0.19 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 3acg s THR 175 CO 0.27 -0.05 1.33 -0.69 -0.69 0.00 0.00 174.62 174.79 3acg s VAL 176 N 3.45 3.46 -0.40 3.82 1.01 -1.26 -4.52 120.40 125.96 3acg s VAL 176 Ca 0.70 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.69 3acg s VAL 176 Cb -0.33 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.45 3acg s VAL 176 CO 0.28 0.10 0.20 -0.76 0.00 0.00 0.00 175.10 174.92 3acg s LEU 177 N 0.85 4.99 0.06 3.92 1.43 0.70 -3.90 118.68 126.72 3acg s LEU 177 Ca 0.62 -1.62 -0.17 0.00 -1.03 0.00 0.00 54.13 51.93 3acg s LEU 177 Cb -0.35 -1.90 -0.15 0.00 0.03 0.00 0.00 46.19 43.82 3acg s LEU 177 CO 0.31 -0.50 1.29 -0.09 0.23 0.00 0.00 176.35 177.60 3acg h ARG 178 N 8.24 0.59 -5.77 1.70 2.43 -1.22 -1.60 114.38 118.75 3acg h ARG 178 Ca -0.20 -0.42 -0.49 0.00 -0.81 0.00 0.00 59.98 58.07 3acg h ARG 178 Cb 1.07 0.07 -0.17 0.00 -0.42 0.00 0.00 29.97 30.52 3acg h ARG 178 CO 0.71 1.04 -0.76 -0.51 -1.51 0.00 0.00 179.97 178.93 3acg s ASP 179 N -6.65 2.59 -0.05 -3.80 1.01 -1.24 -0.77 116.67 107.76 3acg s ASP 179 Ca -0.12 -0.91 0.05 0.00 0.71 0.00 0.00 52.55 52.28 3acg s ASP 179 Cb 0.07 -0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.85 3acg s ASP 179 CO 0.83 -0.09 -0.21 -0.63 0.21 0.00 0.00 175.17 175.29 3acg s ILE 180 N -2.35 1.71 -0.05 0.77 1.01 -0.85 -1.52 121.20 119.92 3acg s ILE 180 Ca 0.17 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3acg s ILE 180 Cb -0.04 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 3acg s ILE 180 CO 0.06 0.48 -0.18 -0.89 0.00 0.00 0.00 174.94 174.42 3acg s THR 181 N -0.03 1.51 -0.08 2.92 2.01 0.69 -0.17 115.64 122.49 3acg s THR 181 Ca -0.04 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.24 3acg s THR 181 Cb -0.13 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.08 3acg s THR 181 CO 0.03 0.43 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.56 3acg s ILE 182 N 0.09 1.72 -0.09 1.82 1.01 -0.10 -0.72 121.20 124.93 3acg s ILE 182 Ca -0.06 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3acg s ILE 182 Cb -0.12 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.85 3acg s ILE 182 CO 0.03 0.49 -0.22 -0.69 0.00 0.00 0.00 174.94 174.55 3acg s VAL 183 N 0.32 1.87 -0.64 2.92 1.01 -0.18 -1.04 120.40 124.66 3acg s VAL 183 Ca -0.14 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 3acg s VAL 183 Cb -0.16 -1.63 0.17 0.00 0.00 0.00 0.00 36.38 34.76 3acg s VAL 183 CO 0.06 0.52 0.47 -0.69 0.00 0.00 0.00 175.10 175.46 3acg s VAL 184 N 0.34 3.94 0.35 2.92 1.01 -0.54 -1.08 120.40 127.34 3acg s VAL 184 Ca -0.16 -2.88 -0.11 0.00 0.00 0.00 0.00 61.98 58.83 3acg s VAL 184 Cb -0.17 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 3acg s VAL 184 CO 0.07 -0.89 0.71 0.00 0.00 0.00 0.00 175.10 174.99 3acg s ALA 185 N -0.01 3.41 -0.29 5.51 0.00 0.37 -3.72 121.76 127.02 3acg s ALA 185 Ca 0.17 -0.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.71 3acg s ALA 185 Cb -0.19 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 3acg s ALA 185 CO -0.04 0.16 0.65 0.34 0.00 0.00 0.00 175.76 176.87 3acg s ASP 186 N -2.88 6.54 -1.16 0.00 2.15 -1.26 -0.78 116.67 119.27 3acg s ASP 186 Ca 0.50 0.52 -0.06 0.00 0.43 0.00 0.00 52.55 53.95 3acg s ASP 186 Cb -0.10 -2.34 0.25 0.00 -0.30 0.00 0.00 42.92 40.42 3acg s ASP 186 CO 0.27 -0.48 1.73 0.61 -0.17 0.00 0.00 175.17 177.13 3acg n GLY 187 N 4.33 5.16 3.79 2.66 0.00 0.90 -4.67 105.19 117.37 3acg n GLY 187 Ca -0.00 -2.42 -0.29 0.00 0.00 0.00 0.00 46.02 43.31 3acg n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3acg n ASN 188 N 2.03 -4.86 -5.00 1.61 3.02 -1.26 -1.17 115.26 109.64 3acg n ASN 188 Ca 0.36 -0.70 -0.19 0.00 -0.03 0.00 0.00 54.58 54.02 3acg n ASN 188 Cb 0.33 -3.89 0.02 0.00 -0.61 0.00 0.00 39.78 35.63 3acg n ASN 188 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3acg s SER 189 N -3.20 5.38 -0.37 6.41 1.04 -1.26 -3.90 113.70 117.81 3acg s SER 189 Ca 0.62 -0.62 0.06 0.00 0.48 0.00 0.00 55.95 56.49 3acg s SER 189 Cb -0.31 -0.32 0.50 0.00 0.10 0.00 0.00 66.02 65.98 3acg s SER 189 CO 0.76 -0.93 1.52 -0.90 0.98 0.00 0.00 173.24 174.67 3acg n ASP 190 N -1.93 4.02 -4.76 7.02 5.75 -1.12 -4.95 116.55 120.59 3acg n ASP 190 Ca 0.09 -3.78 -0.41 0.00 -0.01 0.00 0.00 54.79 50.69 3acg n ASP 190 Cb 0.60 -0.64 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 3acg n ASP 190 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3acg s PHE 191 N -3.44 3.05 -0.05 2.11 5.36 -1.26 -4.34 117.98 119.41 3acg s PHE 191 Ca 0.50 1.26 -0.05 0.00 -0.96 0.00 0.00 56.93 57.69 3acg s PHE 191 Cb 0.43 -3.72 0.01 0.00 -0.34 0.00 0.00 43.02 39.40 3acg s PHE 191 CO 0.01 -2.14 0.15 0.00 -1.46 0.00 0.00 175.22 171.78 3acg s ALA 192 N -0.63 -0.36 0.00 11.12 0.00 -0.47 -2.44 121.76 128.98 3acg s ALA 192 Ca 0.53 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3acg s ALA 192 Cb -0.40 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3acg s ALA 192 CO 0.48 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3acg n GLY 193 N 2.94 0.29 3.60 0.00 0.00 -0.42 0.11 105.19 111.71 3acg n GLY 193 Ca -0.13 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 3acg n GLY 193 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3acg s THR 194 N -3.35 3.79 0.16 2.61 2.01 -0.45 -1.06 115.64 119.35 3acg s THR 194 Ca 0.00 -0.44 0.10 0.00 0.31 0.00 0.00 61.69 61.66 3acg s THR 194 Cb 0.00 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3acg s THR 194 CO 0.00 0.60 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.27 3acg s MET 195 N -0.81 1.60 -0.01 4.92 1.00 -0.14 -0.37 119.30 125.49 3acg s MET 195 Ca 0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 55.69 54.40 3acg s MET 195 Cb -0.11 -1.95 0.00 0.00 0.00 0.00 0.00 34.83 32.77 3acg s MET 195 CO 0.02 0.44 0.09 0.71 0.00 0.00 0.00 175.02 176.27 3acg s TYR 196 N -1.38 0.03 0.02 -0.03 2.02 -0.38 -1.80 117.35 115.82 3acg s TYR 196 Ca 0.19 -0.05 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 3acg s TYR 196 Cb -0.09 -0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.40 3acg s TYR 196 CO 0.09 -0.17 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.17 3acg s LEU 197 N -0.82 2.11 0.13 -1.29 1.43 0.10 -0.94 118.68 119.39 3acg s LEU 197 Ca -0.09 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 3acg s LEU 197 Cb -0.05 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.11 3acg s LEU 197 CO 0.00 0.21 0.29 -0.62 0.23 0.00 0.00 176.35 176.47 3acg s ASP 198 N -0.88 -0.01 -1.32 2.29 2.15 -0.35 -1.93 116.67 116.62 3acg s ASP 198 Ca 0.08 -0.62 -0.06 0.00 0.43 0.00 0.00 52.55 52.38 3acg s ASP 198 Cb -0.09 0.41 0.01 0.00 -0.30 0.00 0.00 42.92 42.96 3acg s ASP 198 CO 0.01 -0.83 1.10 0.59 -0.17 0.00 0.00 175.17 175.87 3acg n ASN 199 N -0.16 -4.79 -4.63 -0.34 5.03 -0.13 -0.82 115.26 109.41 3acg n ASN 199 Ca -0.13 -0.59 -0.43 0.00 0.87 0.00 0.00 54.58 54.30 3acg n ASN 199 Cb 0.63 -4.97 -0.02 0.00 -1.02 0.00 0.00 39.78 34.40 3acg n ASN 199 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3acg s ILE 200 N -3.34 4.25 0.09 2.41 1.01 -0.73 -4.24 121.20 120.65 3acg s ILE 200 Ca 0.39 1.43 -0.23 0.00 0.00 0.00 0.00 60.65 62.24 3acg s ILE 200 Cb -0.18 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.13 3acg s ILE 200 CO 0.74 -0.46 0.56 0.00 0.00 0.00 0.00 174.94 175.78 3acg s ARG 201 N 3.98 1.15 0.31 2.79 1.70 -0.23 -0.59 118.95 128.06 3acg s ARG 201 Ca 0.53 -0.33 -0.15 0.00 -0.47 0.00 0.00 55.73 55.30 3acg s ARG 201 Cb -0.16 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3acg s ARG 201 CO 0.20 -0.46 0.72 -0.06 -1.08 0.00 0.00 175.30 174.63 3acg s PHE 202 N -3.03 3.41 0.00 5.89 0.08 -1.26 -0.53 117.98 122.53 3acg s PHE 202 Ca -0.02 1.22 0.00 0.00 0.12 0.00 0.00 56.93 58.25 3acg s PHE 202 Cb -0.00 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 3acg s PHE 202 CO -0.07 0.13 0.00 -0.85 -0.10 0.00 0.00 175.22 174.34