#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll s ARG 7 N 0.00 0.97 0.00 1.97 3.00 -1.26 -4.52 118.95 119.11 3dll s ARG 7 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 55.73 57.13 3dll s ARG 7 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 34.95 33.22 3dll s ARG 7 CO 0.00 -2.61 0.00 0.25 0.00 0.00 0.00 175.30 172.94 3dll n THR 8 N -4.21 0.00 -0.05 0.02 -2.24 -1.26 -5.06 114.28 101.48 3dll n THR 8 Ca 0.10 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3dll n THR 8 Cb 0.53 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.18 3dll n THR 8 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dll n LYS 9 N 0.00 2.21 -3.57 -0.78 5.02 -1.26 -5.09 118.16 114.69 3dll n LYS 9 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3dll n LYS 9 Cb 0.00 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3dll n LYS 9 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3dll s PHE 10 N -2.24 -0.26 0.00 2.13 5.36 -1.26 -5.15 117.98 116.55 3dll s PHE 10 Ca -0.06 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 3dll s PHE 10 Cb 0.03 0.56 0.00 0.00 -0.34 0.00 0.00 43.02 43.27 3dll s PHE 10 CO 0.40 -0.55 0.00 -2.13 -1.46 0.00 0.00 175.22 171.48 3dll n ARG 11 N -0.28 0.00 0.10 10.12 0.00 -1.26 -5.07 116.66 120.26 3dll n ARG 11 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3dll n ARG 11 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 3dll n ARG 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3dll n LYS 12 N -0.75 0.00 0.00 -0.14 4.81 -1.26 -5.11 118.16 115.71 3dll n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3dll n LYS 12 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3dll n LYS 12 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3dll n GLN 13 N -2.88 0.00 -2.80 1.64 6.02 -1.26 -5.15 117.38 112.94 3dll n GLN 13 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3dll n GLN 13 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3dll n GLN 13 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3dll n PHE 14 N 0.00 0.17 0.00 1.08 3.72 -1.26 -4.74 117.46 116.43 3dll n PHE 14 Ca 0.00 -0.83 0.00 0.00 -0.05 0.00 0.00 57.45 56.57 3dll n PHE 14 Cb 0.00 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3dll n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3dll n ARG 15 N -0.34 0.00 0.00 -1.08 1.74 -1.26 -4.78 116.66 110.95 3dll n ARG 15 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3dll n ARG 15 Cb 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 3dll n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dll n GLY 16 N 0.00 2.39 3.35 -0.13 0.00 -1.26 -5.13 105.19 104.40 3dll n GLY 16 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3dll n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dll s ARG 17 N 2.29 0.94 0.00 1.61 1.70 -1.26 -5.10 118.95 119.12 3dll s ARG 17 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.99 3dll s ARG 17 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3dll s ARG 17 CO 0.00 -0.32 0.00 -1.33 -1.08 0.00 0.00 175.30 172.57 3dll n MET 18 N 0.58 0.00 -3.67 3.89 2.81 -1.26 -5.21 117.12 114.26 3dll n MET 18 Ca -0.19 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.57 3dll n MET 18 Cb 0.59 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.02 3dll n MET 18 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3dll s THR 19 N -2.00 -0.00 -0.30 2.03 2.01 -1.26 -5.12 115.64 111.00 3dll s THR 19 Ca 0.00 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 61.67 3dll s THR 19 Cb 0.00 -0.83 0.18 0.00 0.01 0.00 0.00 72.50 71.86 3dll s THR 19 CO 0.00 0.00 1.40 -0.83 -0.69 0.00 0.00 174.62 174.50 3dll s GLY 20 N 0.35 -0.01 0.00 4.40 0.00 -1.26 -5.17 107.32 105.62 3dll s GLY 20 Ca -0.00 2.49 0.00 0.00 0.00 0.00 0.00 44.72 47.20 3dll s GLY 20 CO 0.00 0.91 0.00 2.09 0.00 0.00 0.00 173.10 176.10 3dll n ASP 21 N 0.27 0.00 -4.76 1.64 5.75 -1.26 -4.89 116.55 113.31 3dll n ASP 21 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.43 3dll n ASP 21 Cb 0.58 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.69 3dll n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dll s ALA 22 N 0.00 2.97 0.00 2.12 0.00 -1.19 -4.95 121.76 120.71 3dll s ALA 22 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3dll s ALA 22 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3dll s ALA 22 CO 0.00 -1.13 0.00 1.17 0.00 0.00 0.00 175.76 175.80 3dll n LYS 23 N -0.64 0.00 0.00 0.00 4.81 -1.26 -4.74 118.16 116.33 3dll n LYS 23 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 3dll n LYS 23 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 3dll n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dll n GLY 24 N 2.89 0.87 3.33 3.14 0.00 -1.26 -4.40 105.19 109.76 3dll n GLY 24 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3dll n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dll s GLY 25 N 0.86 2.68 0.00 -0.02 0.00 -1.26 -5.00 107.32 104.57 3dll s GLY 25 Ca 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 44.72 41.38 3dll s GLY 25 CO 0.00 1.27 0.00 1.34 0.00 0.00 0.00 173.10 175.71 3dll n ASP 26 N 3.96 -0.90 -1.74 1.64 -0.08 -1.26 -4.52 116.55 113.65 3dll n ASP 26 Ca 0.14 -0.15 -0.04 0.00 -1.51 0.00 0.00 54.79 53.23 3dll n ASP 26 Cb 0.47 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.91 3dll n ASP 26 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3dll n TYR 27 N -1.94 -0.04 -0.11 -0.67 4.02 -1.26 -3.47 117.16 113.68 3dll n TYR 27 Ca 0.00 -0.51 -0.02 0.00 -0.01 0.00 0.00 57.90 57.36 3dll n TYR 27 Cb 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.33 3dll n TYR 27 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3dll n VAL 28 N -0.15 0.00 -3.98 -0.72 0.31 -1.26 -4.90 118.33 107.63 3dll n VAL 28 Ca -0.00 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 3dll n VAL 28 Cb 0.12 -0.02 -0.10 0.00 -0.91 0.00 0.00 33.84 32.92 3dll n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dll s ALA 29 N 0.37 0.10 0.00 3.52 0.00 -1.26 -4.68 121.76 119.81 3dll s ALA 29 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3dll s ALA 29 Cb -0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3dll s ALA 29 CO 0.04 -0.25 0.00 1.19 0.00 0.00 0.00 175.76 176.74 3dll n PHE 30 N 1.09 0.00 -3.27 0.00 3.72 -1.26 -4.80 117.46 112.94 3dll n PHE 30 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3dll n PHE 30 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3dll n PHE 30 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dll n GLY 31 N 0.00 6.75 0.05 1.37 0.00 -1.26 -4.93 105.19 107.17 3dll n GLY 31 Ca 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 46.02 43.94 3dll n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dll n ASP 32 N -0.30 2.39 -4.42 1.61 9.92 -1.23 -4.98 116.55 119.53 3dll n ASP 32 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 3dll n ASP 32 Cb 0.00 0.83 -0.13 0.00 -0.64 0.00 0.00 41.12 41.18 3dll n ASP 32 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3dll s TYR 33 N -2.30 2.44 0.10 1.24 2.02 -1.20 -4.21 117.35 115.44 3dll s TYR 33 Ca -0.05 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 3dll s TYR 33 Cb 0.04 -1.38 -0.00 0.00 -0.40 0.00 0.00 41.96 40.21 3dll s TYR 33 CO 0.44 0.26 0.21 0.20 -1.57 0.00 0.00 175.55 175.09 3dll s GLY 34 N -1.65 0.16 -0.01 0.71 0.00 -1.21 -1.46 107.32 103.85 3dll s GLY 34 Ca 0.14 -0.66 0.07 0.00 0.00 0.00 0.00 44.72 44.28 3dll s GLY 34 CO 0.06 -0.80 -0.23 -2.27 0.00 0.00 0.00 173.10 169.86 3dll s LEU 35 N -2.88 2.27 -0.03 0.66 2.96 0.29 -1.50 118.68 120.45 3dll s LEU 35 Ca 0.07 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3dll s LEU 35 Cb 0.05 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.35 3dll s LEU 35 CO -0.09 0.31 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.54 3dll s ILE 36 N -0.70 0.75 0.70 6.68 1.01 0.80 -0.86 121.20 129.59 3dll s ILE 36 Ca 0.11 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 3dll s ILE 36 Cb -0.10 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.70 3dll s ILE 36 CO 0.00 0.25 1.16 0.00 0.00 0.00 0.00 174.94 176.35 3dll s ALA 37 N 0.35 2.27 0.00 9.38 0.00 -1.15 -0.96 121.76 131.65 3dll s ALA 37 Ca -0.06 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3dll s ALA 37 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3dll s ALA 37 CO 0.01 -1.61 0.51 -1.33 0.00 0.00 0.00 175.76 173.34 3dll n MET 38 N -2.63 0.00 -4.00 0.00 2.81 -1.24 -0.73 117.12 111.33 3dll n MET 38 Ca 0.12 -0.43 -0.12 0.00 -1.81 0.00 0.00 57.70 55.46 3dll n MET 38 Cb 0.51 -0.31 -0.12 0.00 -0.71 0.00 0.00 33.22 32.59 3dll n MET 38 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3dll s GLU 39 N 0.00 0.31 -0.25 0.03 2.02 -1.26 -4.74 118.70 114.81 3dll s GLU 39 Ca 0.00 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 3dll s GLU 39 Cb 0.00 -0.09 -0.09 0.00 0.10 0.00 0.00 34.13 34.06 3dll s GLU 39 CO 0.00 0.01 3.15 -2.30 0.02 0.00 0.00 175.26 176.14 3dll n PRO 40 N 2.09 2.22 -4.21 0.39 -0.02 -1.26 -3.99 135.00 130.22 3dll n PRO 40 Ca -0.19 -1.74 -0.25 0.00 -2.02 0.00 0.00 63.50 59.30 3dll n PRO 40 Cb 0.56 -2.08 -0.07 0.00 -0.02 0.00 0.00 33.50 31.90 3dll n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dll s ALA 41 N -0.50 3.25 0.70 3.55 0.00 -1.26 -4.85 121.76 122.65 3dll s ALA 41 Ca 0.62 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 3dll s ALA 41 Cb 0.35 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.51 3dll s ALA 41 CO -0.12 0.40 1.11 -1.58 0.00 0.00 0.00 175.76 175.56 3dll s TRP 42 N -1.94 2.56 -0.18 0.00 0.51 -1.26 -3.28 118.94 115.35 3dll s TRP 42 Ca 0.29 1.56 -0.02 0.00 -2.12 0.00 0.00 56.10 55.82 3dll s TRP 42 Cb -0.08 -3.15 0.05 0.00 -0.81 0.00 0.00 33.47 29.48 3dll s TRP 42 CO 0.20 -1.79 -0.00 0.42 -0.51 0.00 0.00 176.95 175.27 3dll s ILE 43 N -2.51 0.81 1.04 2.03 -1.09 -1.16 -4.89 121.20 115.44 3dll s ILE 43 Ca 0.65 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 58.26 3dll s ILE 43 Cb -0.20 -1.18 0.07 0.00 -1.58 0.00 0.00 42.46 39.57 3dll s ILE 43 CO 0.47 -0.08 -0.19 0.29 -1.23 0.00 0.00 174.94 174.20 3dll n LYS 44 N 4.96 -1.49 0.00 2.79 4.01 -1.26 -2.33 118.16 124.83 3dll n LYS 44 Ca -0.10 -0.43 0.00 0.00 -0.51 0.00 0.00 58.31 57.27 3dll n LYS 44 Cb 0.47 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 3dll n LYS 44 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3dll n SER 45 N -0.43 0.00 -0.11 4.39 3.41 -0.90 -3.99 113.62 115.99 3dll n SER 45 Ca 0.02 0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 3dll n SER 45 Cb 0.54 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.69 3dll n SER 45 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3dll n ASN 46 N -0.27 0.11 0.31 4.04 0.23 -1.26 0.39 115.26 118.80 3dll n ASN 46 Ca 0.00 0.53 0.18 0.00 -0.53 0.00 0.00 54.58 54.76 3dll n ASN 46 Cb 0.00 -0.26 1.00 0.00 -2.08 0.00 0.00 39.78 38.44 3dll n ASN 46 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3dll h GLN 47 N 0.00 0.00 0.00 -3.83 4.20 -1.92 1.23 115.11 114.79 3dll h GLN 47 Ca 0.28 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.87 3dll h GLN 47 Cb 0.76 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3dll h GLN 47 CO -0.24 0.02 -0.84 0.82 -0.67 0.00 0.00 178.83 177.93 3dll h ILE 48 N 0.00 0.55 0.00 2.54 2.04 0.71 0.54 117.51 123.89 3dll h ILE 48 Ca -0.00 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.20 3dll h ILE 48 Cb 0.11 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3dll h ILE 48 CO 0.00 0.19 0.31 -0.33 0.00 0.00 0.00 178.15 178.32 3dll h GLU 49 N -1.00 0.00 0.01 2.37 4.39 -1.15 0.58 114.58 119.78 3dll h GLU 49 Ca -0.18 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.12 3dll h GLU 49 Cb 0.91 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.50 3dll h GLU 49 CO -0.11 0.00 -2.26 0.00 -1.16 0.00 0.00 179.01 175.48 3dll n ALA 50 N -1.62 1.15 -0.13 3.43 0.00 0.42 -4.05 120.51 119.71 3dll n ALA 50 Ca -0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 53.44 52.41 3dll n ALA 50 Cb 0.33 -0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.68 3dll n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ARG 52 N 0.47 -0.31 -1.17 0.00 1.12 -0.63 -1.73 114.38 112.13 3dll h ARG 52 Ca 0.17 0.02 0.44 0.00 -1.11 0.00 0.00 59.98 59.50 3dll h ARG 52 Cb 0.03 0.07 -0.16 0.00 -0.01 0.00 0.00 29.97 29.90 3dll h ARG 52 CO -0.09 -0.21 0.70 0.82 -3.11 0.00 0.00 179.97 178.08 3dll h ILE 53 N -0.33 0.02 0.00 1.20 1.08 -1.69 0.48 117.51 118.27 3dll h ILE 53 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3dll h ILE 53 Cb 0.33 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 3dll h ILE 53 CO -0.13 0.00 0.00 0.52 -0.69 0.00 0.00 178.15 177.85 3dll n VAL 54 N -5.01 0.00 -0.23 1.67 0.31 -0.67 -2.08 118.33 112.32 3dll n VAL 54 Ca 0.39 1.00 -0.06 0.00 -0.01 0.00 0.00 64.34 65.65 3dll n VAL 54 Cb 1.40 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 3dll n VAL 54 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3dll n MET 55 N -0.62 -0.24 0.00 5.55 2.81 0.38 -2.59 117.12 122.41 3dll n MET 55 Ca 0.00 1.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.91 3dll n MET 55 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 3dll n MET 55 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3dll n SER 56 N -4.37 0.00 -0.06 7.83 2.88 0.14 -1.47 113.62 118.58 3dll n SER 56 Ca 0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.54 3dll n SER 56 Cb 0.14 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 3dll n SER 56 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3dll n ARG 57 N 0.00 -0.06 -0.37 -1.46 1.74 -0.88 0.79 116.66 116.41 3dll n ARG 57 Ca 0.00 0.29 0.33 0.00 -0.77 0.00 0.00 57.85 57.70 3dll n ARG 57 Cb 0.00 -0.43 0.58 0.00 -1.02 0.00 0.00 32.46 31.59 3dll n ARG 57 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3dll n HIS 58 N -3.49 0.79 -1.37 -1.55 -0.00 -0.54 -0.23 115.22 108.83 3dll n HIS 58 Ca 0.00 0.80 -0.32 0.00 0.46 0.00 0.00 57.72 58.66 3dll n HIS 58 Cb 0.04 -1.22 0.09 0.00 -0.12 0.00 0.00 29.99 28.78 3dll n HIS 58 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3dll n PHE 59 N -4.71 3.15 0.00 1.57 0.99 0.24 -4.99 117.46 113.71 3dll n PHE 59 Ca 0.35 -2.82 0.00 0.00 -0.00 0.00 0.00 57.45 54.98 3dll n PHE 59 Cb 1.31 -1.30 0.00 0.00 -1.00 0.00 0.00 39.48 38.49 3dll n PHE 59 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3dll n ARG 60 N -0.93 0.00 -3.93 -1.08 3.00 0.68 -3.90 116.66 110.50 3dll n ARG 60 Ca 0.61 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 58.14 3dll n ARG 60 Cb 0.81 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.22 3dll n ARG 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3dll s ARG 61 N 0.00 3.39 0.00 5.56 0.52 -1.26 -4.74 118.95 122.42 3dll s ARG 61 Ca 0.00 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 3dll s ARG 61 Cb 0.00 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.46 3dll s ARG 61 CO 0.00 0.60 0.00 0.41 0.02 0.00 0.00 175.30 176.33 3dll n GLY 62 N 0.26 3.18 2.59 -3.53 0.00 -1.25 -4.97 105.19 101.47 3dll n GLY 62 Ca -0.05 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 3dll n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 63 N 0.00 1.78 1.89 -0.02 0.00 -1.26 -4.88 105.19 102.70 3dll n GLY 63 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3dll n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dll n LYS 64 N -2.44 1.25 -3.22 1.61 4.01 -1.26 -4.85 118.16 113.25 3dll n LYS 64 Ca -0.21 -0.45 -0.39 0.00 -0.51 0.00 0.00 58.31 56.75 3dll n LYS 64 Cb 0.69 -1.55 -0.06 0.00 -0.51 0.00 0.00 35.03 33.60 3dll n LYS 64 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3dll s ILE 65 N 0.97 4.69 -0.65 -0.18 1.09 -1.26 -1.96 121.20 123.90 3dll s ILE 65 Ca 0.30 1.30 0.04 0.00 -1.10 0.00 0.00 60.65 61.19 3dll s ILE 65 Cb 0.14 -3.94 0.16 0.00 -1.06 0.00 0.00 42.46 37.76 3dll s ILE 65 CO 0.00 0.54 0.43 -0.31 -0.10 0.00 0.00 174.94 175.50 3dll s TYR 66 N -1.06 3.46 -0.83 3.97 1.51 -0.72 -5.01 117.35 118.67 3dll s TYR 66 Ca 0.30 -3.24 -0.25 0.00 -1.01 0.00 0.00 57.07 52.86 3dll s TYR 66 Cb -0.20 -2.80 0.03 0.00 -0.11 0.00 0.00 41.96 38.88 3dll s TYR 66 CO 0.20 -0.63 1.42 0.42 -1.11 0.00 0.00 175.55 175.85 3dll s ILE 67 N -1.01 3.74 -0.49 2.71 1.01 -1.26 -4.04 121.20 121.86 3dll s ILE 67 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.84 3dll s ILE 67 Cb -0.13 -4.84 0.57 0.00 0.01 0.00 0.00 42.46 38.08 3dll s ILE 67 CO -0.10 -1.76 1.92 -2.11 0.00 0.00 0.00 174.94 172.89 3dll n ARG 68 N 9.17 2.31 -2.74 2.79 1.85 -1.19 -4.54 116.66 124.32 3dll n ARG 68 Ca 0.17 -2.94 -0.03 0.00 -1.00 0.00 0.00 57.85 54.05 3dll n ARG 68 Cb 0.50 -2.15 0.05 0.00 -1.05 0.00 0.00 32.46 29.80 3dll n ARG 68 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 3dll n ILE 69 N -0.98 1.40 -1.54 8.89 -5.35 -1.26 -4.95 119.36 115.56 3dll n ILE 69 Ca 0.58 -3.09 -0.54 0.00 -0.27 0.00 0.00 62.75 59.43 3dll n ILE 69 Cb 1.33 0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 40.15 3dll n ILE 69 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 3dll n PHE 70 N -0.58 1.04 -1.57 4.28 -0.00 -1.26 -4.81 117.46 114.56 3dll n PHE 70 Ca 0.11 0.82 -0.42 0.00 -0.00 0.00 0.00 57.45 57.97 3dll n PHE 70 Cb 0.82 -2.21 -0.04 0.00 -0.00 0.00 0.00 39.48 38.05 3dll n PHE 70 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3dll n PRO 71 N 1.93 1.60 -2.32 -7.13 -0.02 -1.26 -4.83 135.00 122.96 3dll n PRO 71 Ca 0.18 0.36 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 3dll n PRO 71 Cb 0.16 -3.17 0.01 0.00 -0.02 0.00 0.00 33.50 30.48 3dll n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dll n ASP 72 N 12.53 5.41 -3.64 2.55 2.03 -0.44 -4.70 116.55 130.29 3dll n ASP 72 Ca 0.34 -3.75 -0.04 0.00 0.52 0.00 0.00 54.79 51.86 3dll n ASP 72 Cb 0.44 -0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 40.17 3dll n ASP 72 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3dll s LYS 73 N -3.67 0.49 -0.09 -0.67 2.20 0.69 -4.87 119.74 113.82 3dll s LYS 73 Ca 0.49 0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 56.78 3dll s LYS 73 Cb 0.41 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.80 3dll s LYS 73 CO -0.24 -0.11 0.48 -1.25 -0.36 0.00 0.00 175.35 173.88 3dll s PRO 74 N 1.48 4.28 0.54 4.03 0.04 -1.26 -0.20 135.00 143.91 3dll s PRO 74 Ca -0.09 0.47 0.03 0.00 0.04 0.00 0.00 61.00 61.45 3dll s PRO 74 Cb -0.04 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3dll s PRO 74 CO -0.17 0.25 0.20 0.08 0.04 0.00 0.00 177.00 177.40 3dll s VAL 75 N 0.31 1.34 0.14 -0.36 1.01 -0.54 -4.01 120.40 118.29 3dll s VAL 75 Ca 0.26 -1.75 0.03 0.00 0.00 0.00 0.00 61.98 60.52 3dll s VAL 75 Cb -0.16 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3dll s VAL 75 CO 0.11 0.00 0.13 0.35 0.00 0.00 0.00 175.10 175.69 3dll n THR 76 N -1.53 0.00 -3.73 3.92 -2.24 -1.26 -3.99 114.28 105.45 3dll n THR 76 Ca -0.11 -1.05 -0.08 0.00 -2.27 0.00 0.00 64.05 60.53 3dll n THR 76 Cb 0.66 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 69.44 3dll n THR 76 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3dll n LYS 77 N -0.27 1.03 -4.39 -0.78 3.00 -1.24 -4.90 118.16 110.60 3dll n LYS 77 Ca 0.03 -2.04 -0.28 0.00 -0.00 0.00 0.00 58.31 56.03 3dll n LYS 77 Cb 0.26 2.54 -0.12 0.00 0.00 0.00 0.00 35.03 37.71 3dll n LYS 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 3dll s LYS 78 N -2.09 1.56 -0.99 1.64 -2.85 -1.26 -3.80 119.74 111.95 3dll s LYS 78 Ca 0.15 -1.43 -0.08 0.00 -1.00 0.00 0.00 55.97 53.62 3dll s LYS 78 Cb -0.04 -1.91 -0.12 0.00 -2.06 0.00 0.00 37.83 33.69 3dll s LYS 78 CO 0.11 0.42 2.85 -2.30 0.10 0.00 0.00 175.35 176.53 3dll n PRO 79 N 0.46 2.76 0.00 1.78 -0.02 -1.26 -4.50 135.00 134.22 3dll n PRO 79 Ca -0.14 -1.64 0.00 0.00 -2.02 0.00 0.00 63.50 59.70 3dll n PRO 79 Cb 0.55 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3dll n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dll n ALA 80 N 3.42 0.00 -3.00 3.55 0.00 -1.26 -4.83 120.51 118.38 3dll n ALA 80 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3dll n ALA 80 Cb 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3dll n ALA 80 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3dll n GLU 81 N -1.98 0.00 0.00 0.00 0.00 -1.26 -5.17 120.64 112.23 3dll n GLU 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3dll n GLU 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3dll n GLU 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3dll n THR 82 N 0.00 0.00 0.00 3.84 -2.24 -1.26 -4.96 114.28 109.66 3dll n THR 82 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dll n THR 82 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3dll n THR 82 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3dll n ARG 83 N 0.00 0.00 -0.67 -0.78 3.00 -1.26 -5.03 116.66 111.92 3dll n ARG 83 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 3dll n ARG 83 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 3dll n ARG 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 3dll n MET 84 N 0.00 1.34 -3.83 -0.14 1.56 -1.26 -4.70 117.12 110.09 3dll n MET 84 Ca 0.00 -0.64 -0.07 0.00 -0.27 0.00 0.00 57.70 56.72 3dll n MET 84 Cb 0.00 -1.79 0.02 0.00 2.15 0.00 0.00 33.22 33.60 3dll n MET 84 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 3dll s GLY 85 N 2.28 0.27 -0.01 -5.12 0.00 -1.26 -5.18 107.32 98.30 3dll s GLY 85 Ca 0.43 -0.60 0.08 0.00 0.00 0.00 0.00 44.72 44.63 3dll s GLY 85 CO 0.00 0.67 -0.25 -1.59 0.00 0.00 0.00 173.10 171.93 3dll s LYS 86 N -2.27 2.08 0.00 2.90 -2.85 -1.26 -5.04 119.74 113.30 3dll s LYS 86 Ca 0.18 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 3dll s LYS 86 Cb -0.04 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.67 3dll s LYS 86 CO 0.09 0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.51 3dll n GLY 87 N 2.30 0.00 0.00 0.59 0.00 -1.26 -4.94 105.19 101.88 3dll n GLY 87 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3dll n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dll n LYS 88 N 0.00 0.00 -0.60 1.61 5.02 -1.26 -4.99 118.16 117.94 3dll n LYS 88 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3dll n LYS 88 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3dll n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dll n GLY 89 N 0.00 0.68 0.00 0.72 0.00 -1.25 -3.63 105.19 101.72 3dll n GLY 89 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3dll n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dll n ALA 90 N -0.21 0.00 0.06 4.61 0.00 -1.26 -0.08 120.51 123.63 3dll n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dll n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dll n ALA 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dll n VAL 91 N 0.00 0.28 0.18 0.00 0.31 -1.26 -4.07 118.33 113.77 3dll n VAL 91 Ca 0.00 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.14 3dll n VAL 91 Cb 0.00 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.03 3dll n VAL 91 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3dll h GLU 92 N 2.42 -0.40 0.00 5.55 4.57 -0.62 -3.47 114.58 122.62 3dll h GLU 92 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3dll h GLU 92 Cb 0.19 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3dll h GLU 92 CO 0.00 -0.27 0.00 2.48 -1.18 0.00 0.00 179.01 180.04 3dll n TYR 93 N -5.28 0.00 -3.98 0.92 -0.00 -1.26 -5.05 117.16 102.51 3dll n TYR 93 Ca -0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.53 3dll n TYR 93 Cb 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.50 3dll n TYR 93 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3dll s TRP 94 N -2.00 3.38 0.36 -3.48 0.51 -1.26 -1.46 118.94 114.99 3dll s TRP 94 Ca 0.00 0.11 -0.02 0.00 -2.12 0.00 0.00 56.10 54.08 3dll s TRP 94 Cb 0.00 -1.65 0.01 0.00 -0.81 0.00 0.00 33.47 31.02 3dll s TRP 94 CO 0.00 0.53 0.50 0.14 -0.51 0.00 0.00 176.95 177.61 3dll s VAL 95 N -1.65 0.00 -0.25 4.03 -7.23 0.71 -2.12 120.40 113.89 3dll s VAL 95 Ca 0.33 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 3dll s VAL 95 Cb -0.11 -2.70 0.14 0.00 0.56 0.00 0.00 36.38 34.27 3dll s VAL 95 CO 0.26 0.00 0.42 -0.55 -0.31 0.00 0.00 175.10 174.92 3dll s SER 96 N -3.26 -0.07 -0.00 4.85 0.15 -0.98 -0.22 113.70 114.15 3dll s SER 96 Ca 0.31 0.43 -0.36 0.00 0.70 0.00 0.00 55.95 57.03 3dll s SER 96 Cb -0.01 1.31 -0.14 0.00 -1.71 0.00 0.00 66.02 65.47 3dll s SER 96 CO 0.22 -0.28 1.62 1.33 1.20 0.00 0.00 173.24 177.33 3dll n VAL 97 N 5.38 0.20 -3.70 4.45 0.24 -1.26 -2.99 118.33 120.64 3dll n VAL 97 Ca -0.04 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.34 61.97 3dll n VAL 97 Cb 0.50 -1.38 0.01 0.00 -1.47 0.00 0.00 33.84 31.51 3dll n VAL 97 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3dll s VAL 98 N 2.08 1.71 -0.28 3.34 1.01 -1.21 -4.95 120.40 122.11 3dll s VAL 98 Ca 0.87 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 3dll s VAL 98 Cb -0.83 -2.10 0.13 0.00 0.00 0.00 0.00 36.38 33.59 3dll s VAL 98 CO 0.49 0.00 1.08 -0.75 0.00 0.00 0.00 175.10 175.92 3dll s LYS 99 N -4.38 0.45 0.06 2.72 2.47 -1.26 -4.39 119.74 115.41 3dll s LYS 99 Ca 0.40 0.50 -0.23 0.00 -1.56 0.00 0.00 55.97 55.08 3dll s LYS 99 Cb -0.03 0.22 -0.12 0.00 -1.46 0.00 0.00 37.83 36.44 3dll s LYS 99 CO 0.25 -0.06 0.56 -2.30 0.16 0.00 0.00 175.35 173.95 3dll n PRO 100 N 2.04 0.00 0.00 4.03 -0.02 -1.26 -1.79 135.00 138.00 3dll n PRO 100 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3dll n PRO 100 Cb 0.56 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 3dll n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dll n GLY 101 N 1.14 2.61 3.04 -1.23 0.00 0.09 -3.16 105.19 107.67 3dll n GLY 101 Ca 0.13 -0.59 -0.55 0.00 0.00 0.00 0.00 46.02 45.00 3dll n GLY 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dll n ARG 102 N 0.00 0.00 -2.45 1.61 3.00 -0.74 -4.55 116.66 113.53 3dll n ARG 102 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 3dll n ARG 102 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 32.46 31.19 3dll n ARG 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3dll s VAL 103 N 3.04 4.31 -0.12 5.15 1.01 -1.23 -2.93 120.40 129.63 3dll s VAL 103 Ca 0.90 1.59 -0.07 0.00 0.00 0.00 0.00 61.98 64.41 3dll s VAL 103 Cb -1.25 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 31.08 3dll s VAL 103 CO 0.66 -0.13 -0.13 -0.03 0.00 0.00 0.00 175.10 175.46 3dll h MET 104 N 8.07 0.00 -5.89 2.72 4.05 -1.32 -3.45 114.93 119.11 3dll h MET 104 Ca -0.26 0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.59 3dll h MET 104 Cb 1.10 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.82 3dll h MET 104 CO 0.96 0.00 -0.50 -0.06 0.23 0.00 0.00 176.91 177.54 3dll s PHE 105 N -2.02 2.61 0.00 1.39 0.08 -1.07 -3.15 117.98 115.82 3dll s PHE 105 Ca -0.11 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3dll s PHE 105 Cb 0.02 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 3dll s PHE 105 CO 0.16 0.19 0.00 -0.85 -0.10 0.00 0.00 175.22 174.62 3dll n GLU 106 N -1.23 0.00 -4.29 0.44 0.00 -1.25 0.11 120.64 114.41 3dll n GLU 106 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.94 3dll n GLU 106 Cb 0.65 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.97 3dll n GLU 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3dll s VAL 107 N 0.00 1.63 0.35 3.84 -7.23 -0.54 -1.76 120.40 116.70 3dll s VAL 107 Ca 0.00 -1.78 0.09 0.00 -1.81 0.00 0.00 61.98 58.48 3dll s VAL 107 Cb 0.00 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 3dll s VAL 107 CO 0.00 -0.31 0.01 0.00 -0.31 0.00 0.00 175.10 174.49 3dll s ALA 108 N -1.93 3.20 0.00 1.32 0.00 -0.83 -3.27 121.76 120.25 3dll s ALA 108 Ca 0.12 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 50.05 3dll s ALA 108 Cb -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3dll s ALA 108 CO 0.05 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3dll n GLY 109 N -0.96 1.65 3.88 0.00 0.00 -1.26 -4.58 105.19 103.92 3dll n GLY 109 Ca -0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3dll n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dll s VAL 110 N -0.26 4.74 0.33 1.61 -7.23 -1.26 -5.08 120.40 113.26 3dll s VAL 110 Ca 0.00 0.73 0.02 0.00 -1.81 0.00 0.00 61.98 60.92 3dll s VAL 110 Cb 0.00 -3.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.08 3dll s VAL 110 CO 0.00 -0.96 0.50 0.42 -0.31 0.00 0.00 175.10 174.75 3dll s THR 111 N -2.93 4.92 0.00 5.32 -4.23 -1.26 -4.90 115.64 112.55 3dll s THR 111 Ca 0.53 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 3dll s THR 111 Cb -0.11 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.96 3dll s THR 111 CO 0.47 -0.43 0.00 1.21 -0.54 0.00 0.00 174.62 175.33 3dll n GLU 112 N -1.70 0.00 0.13 3.99 4.07 -1.26 0.31 120.64 126.18 3dll n GLU 112 Ca -0.05 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.05 3dll n GLU 112 Cb 0.57 0.00 0.25 0.00 -0.06 0.00 0.00 31.44 32.20 3dll n GLU 112 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3dll h GLU 113 N 0.00 0.11 0.00 5.31 4.57 -1.96 1.26 114.58 123.87 3dll h GLU 113 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3dll h GLU 113 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3dll h GLU 113 CO 0.00 0.54 0.00 1.04 -1.18 0.00 0.00 179.01 179.41 3dll n GLN 114 N -3.99 0.00 0.00 1.92 1.13 0.15 -1.59 117.38 115.00 3dll n GLN 114 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3dll n GLN 114 Cb 0.49 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.57 3dll n GLN 114 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dll n ALA 115 N -0.67 0.40 0.29 -1.58 0.00 -0.62 -4.59 120.51 113.74 3dll n ALA 115 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3dll n ALA 115 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 3dll n ALA 115 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3dll h LYS 116 N 0.00 0.00 0.00 0.00 3.11 0.26 0.48 116.57 120.42 3dll h LYS 116 Ca 0.00 0.00 -0.42 0.00 -2.81 0.00 0.00 60.65 57.42 3dll h LYS 116 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.16 3dll h LYS 116 CO 0.00 0.00 -2.50 -1.91 -2.81 0.00 0.00 179.45 172.23 3dll n GLU 117 N -2.58 0.63 0.00 1.90 4.07 -1.12 -3.72 120.64 119.81 3dll n GLU 117 Ca -0.01 0.19 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 3dll n GLU 117 Cb 0.51 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 3dll n GLU 117 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dll n ALA 118 N -3.62 1.24 -0.08 4.31 0.00 0.16 -0.27 120.51 122.26 3dll n ALA 118 Ca -0.49 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 3dll n ALA 118 Cb 0.95 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 3dll n ALA 118 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dll n PHE 119 N -0.97 0.00 0.00 0.00 0.99 -0.62 -3.83 117.46 113.03 3dll n PHE 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3dll n PHE 119 Cb 0.01 -0.43 0.00 0.00 -1.00 0.00 0.00 39.48 38.05 3dll n PHE 119 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3dll n ARG 120 N -4.25 0.00 0.00 -1.08 1.74 0.63 0.17 116.66 113.87 3dll n ARG 120 Ca -0.12 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3dll n ARG 120 Cb 0.45 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 3dll n ARG 120 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dll n LEU 121 N -1.46 0.00 0.16 0.55 4.77 -0.93 0.20 117.00 120.29 3dll n LEU 121 Ca 0.00 0.94 0.03 0.00 -0.03 0.00 0.00 56.01 56.95 3dll n LEU 121 Cb 0.00 -0.44 0.16 0.00 -2.33 0.00 0.00 43.42 40.81 3dll n LEU 121 CO 0.00 -0.44 0.76 0.00 -1.33 0.00 0.00 177.39 176.38 3dll n ALA 122 N -2.71 0.28 -0.02 -1.18 0.00 0.28 0.18 120.51 117.34 3dll n ALA 122 Ca 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 3dll n ALA 122 Cb 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 3dll n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 123 N -1.26 -0.65 0.00 0.00 0.00 0.53 -4.01 105.19 99.81 3dll n GLY 123 Ca -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.81 3dll n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dll n HIS 124 N -3.33 0.00 -0.85 1.61 -0.00 0.46 -0.66 115.22 112.46 3dll n HIS 124 Ca -0.30 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.50 3dll n HIS 124 Cb 1.05 -0.14 0.18 0.00 -0.00 0.00 0.00 29.99 31.08 3dll n HIS 124 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3dll n LYS 125 N -1.14 2.32 -3.98 -0.41 4.76 -1.16 -5.01 118.16 113.53 3dll n LYS 125 Ca 0.02 -2.55 -0.35 0.00 -2.87 0.00 0.00 58.31 52.56 3dll n LYS 125 Cb 0.02 -1.59 -0.11 0.00 -1.84 0.00 0.00 35.03 31.51 3dll n LYS 125 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dll s LEU 126 N -2.50 3.69 0.23 -0.35 1.43 0.17 -4.90 118.68 116.45 3dll s LEU 126 Ca 0.33 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3dll s LEU 126 Cb 0.27 -1.95 0.34 0.00 0.03 0.00 0.00 46.19 44.88 3dll s LEU 126 CO 0.07 0.12 1.00 -2.65 0.23 0.00 0.00 176.35 175.11 3dll n PRO 127 N 3.89 0.05 0.00 1.29 -0.02 -1.26 -4.59 135.00 134.35 3dll n PRO 127 Ca -0.16 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3dll n PRO 127 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3dll n PRO 127 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3dll n ILE 128 N -1.73 0.00 -4.44 4.25 -0.00 -1.26 -5.04 119.36 111.14 3dll n ILE 128 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.49 3dll n ILE 128 Cb 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.95 3dll n ILE 128 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3dll s GLN 129 N 1.73 1.96 0.04 6.28 -0.21 -1.26 -5.02 119.66 123.17 3dll s GLN 129 Ca 0.00 -1.85 -0.00 0.00 0.02 0.00 0.00 55.36 53.53 3dll s GLN 129 Cb 0.00 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.19 3dll s GLN 129 CO 0.00 0.13 0.05 0.25 -2.12 0.00 0.00 175.29 173.60 3dll n THR 130 N -0.88 0.00 -4.06 -0.19 -2.24 -1.26 -3.60 114.28 102.04 3dll n THR 130 Ca -0.05 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 3dll n THR 130 Cb 0.63 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.88 3dll n THR 130 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3dll s LYS 131 N -2.08 0.87 0.15 -0.78 -2.85 -0.13 -4.93 119.74 109.99 3dll s LYS 131 Ca 0.03 -1.27 0.10 0.00 -1.00 0.00 0.00 55.97 53.83 3dll s LYS 131 Cb -0.00 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 3dll s LYS 131 CO 0.02 -0.25 -0.23 1.41 0.10 0.00 0.00 175.35 176.40 3dll s MET 132 N -3.98 1.35 0.07 1.78 -2.45 -1.26 -0.14 119.30 114.67 3dll s MET 132 Ca 0.16 -1.38 -0.01 0.00 -1.25 0.00 0.00 55.69 53.21 3dll s MET 132 Cb 0.07 -1.64 0.00 0.00 1.25 0.00 0.00 34.83 34.51 3dll s MET 132 CO -0.03 0.36 0.11 1.33 1.05 0.00 0.00 175.02 177.84 3dll n VAL 133 N 0.59 0.00 0.00 10.11 0.24 -0.56 -4.96 118.33 123.75 3dll n VAL 133 Ca -0.15 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3dll n VAL 133 Cb 0.55 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 3dll n VAL 133 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3dll n LYS 134 N -0.11 0.14 0.00 7.34 0.00 -1.26 -3.36 118.16 120.91 3dll n LYS 134 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3dll n LYS 134 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.14 3dll n LYS 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3dll n ARG 135 N 0.00 0.04 -1.54 -1.58 1.74 -1.26 -4.55 116.66 109.50 3dll n ARG 135 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3dll n ARG 135 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3dll n ARG 135 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3dll n GLU 136 N 0.00 -0.96 -4.14 5.56 4.07 -1.26 -4.87 120.64 119.04 3dll n GLU 136 Ca 0.00 0.92 -0.35 0.00 -0.06 0.00 0.00 57.16 57.67 3dll n GLU 136 Cb 0.00 -5.02 -0.14 0.00 -0.06 0.00 0.00 31.44 26.23 3dll n GLU 136 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3dll s VAL 137 N -2.53 3.51 0.00 6.31 1.01 -1.26 -4.94 120.40 122.51 3dll s VAL 137 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3dll s VAL 137 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3dll s VAL 137 CO 0.00 0.45 0.43 -1.22 0.00 0.00 0.00 175.10 174.76 3dll n TYR 138 N 4.34 0.00 0.00 5.22 4.01 -1.26 -4.86 117.16 124.61 3dll n TYR 138 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3dll n TYR 138 Cb 0.52 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 3dll n TYR 138 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3dll n ASP 139 N 0.00 0.00 -4.95 7.72 10.43 -1.26 -4.45 116.55 124.04 3dll n ASP 139 Ca 0.00 0.20 -0.19 0.00 2.57 0.00 0.00 54.79 57.37 3dll n ASP 139 Cb 0.53 -0.08 -0.01 0.00 1.84 0.00 0.00 41.12 43.41 3dll n ASP 139 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3dll s GLU 140 N -2.30 2.63 0.00 -1.24 2.02 -1.26 -5.27 118.70 113.28 3dll s GLU 140 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.55 3dll s GLU 140 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.68 3dll s GLU 140 CO 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 175.26 174.98