#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o81 h GLY 18 N 0.00 0.50 1.57 5.00 0.00 -1.83 -2.51 103.07 105.79 1o81 h GLY 18 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1o81 h GLY 18 CO 0.00 -0.14 -0.11 -2.00 0.00 0.00 0.00 176.54 174.29 1o81 h LEU 19 N 0.11 0.50 0.00 3.11 5.85 -1.87 -2.31 115.31 120.70 1o81 h LEU 19 Ca 0.25 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1o81 h LEU 19 Cb 0.37 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1o81 h LEU 19 CO -0.41 0.65 0.00 1.17 -0.34 0.00 0.00 178.44 179.51 1o81 n LYS 20 N -4.21 0.12 0.28 1.25 4.81 -0.97 -0.64 118.16 118.81 1o81 n LYS 20 Ca 0.01 0.11 0.16 0.00 -0.87 0.00 0.00 58.31 57.72 1o81 n LYS 20 Cb 0.32 -1.50 0.82 0.00 0.02 0.00 0.00 35.03 34.69 1o81 n LYS 20 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1o81 h LYS 21 N 0.00 0.00 0.00 1.64 1.79 -1.19 -1.97 116.57 116.84 1o81 h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1o81 h LYS 21 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1o81 h LYS 21 CO 0.00 0.06 0.00 1.19 -1.08 0.00 0.00 179.45 179.62 1o81 n PHE 22 N -3.32 0.00 -3.16 -1.35 3.01 0.19 -4.23 117.46 108.60 1o81 n PHE 22 Ca -0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.21 1o81 n PHE 22 Cb 0.23 -0.45 -0.05 0.00 -0.01 0.00 0.00 39.48 39.20 1o81 n PHE 22 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1o81 n PHE 23 N -1.45 1.95 0.30 1.38 3.72 -0.74 -4.81 117.46 117.80 1o81 n PHE 23 Ca 0.08 -3.89 0.14 0.00 -0.05 0.00 0.00 57.45 53.72 1o81 n PHE 23 Cb 0.29 -0.46 0.64 0.00 -0.94 0.00 0.00 39.48 39.01 1o81 n PHE 23 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1o81 h PRO 24 N 3.43 0.00 -0.00 -1.08 0.13 -1.74 -3.14 132.00 129.60 1o81 h PRO 24 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1o81 h PRO 24 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1o81 h PRO 24 CO 0.66 0.00 -0.13 0.66 -0.23 0.00 0.00 178.00 178.96 1o81 n TYR 25 N -2.48 0.00 -5.07 1.56 4.01 -1.26 -5.01 117.16 108.91 1o81 n TYR 25 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1o81 n TYR 25 Cb 0.17 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.03 1o81 n TYR 25 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1o81 s SER 26 N -1.05 2.70 -0.01 7.72 0.01 -1.19 -4.98 113.70 116.90 1o81 s SER 26 Ca 0.03 -0.46 0.16 0.00 1.31 0.00 0.00 55.95 56.99 1o81 s SER 26 Cb 0.03 -0.88 -0.23 0.00 0.21 0.00 0.00 66.02 65.15 1o81 s SER 26 CO 0.13 0.18 0.47 0.35 0.41 0.00 0.00 173.24 174.78 1o81 n THR 27 N 3.19 0.00 -4.39 1.44 -2.24 -1.26 -4.84 114.28 106.18 1o81 n THR 27 Ca -0.18 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 1o81 n THR 27 Cb 0.52 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 1o81 n THR 27 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1o81 s ASN 28 N -3.41 2.72 0.14 3.42 0.01 -1.26 -0.03 114.94 116.52 1o81 s ASN 28 Ca -0.02 -0.67 0.05 0.00 -0.71 0.00 0.00 52.86 51.51 1o81 s ASN 28 Cb 0.11 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 1o81 s ASN 28 CO 0.67 0.11 -0.11 0.68 -1.51 0.00 0.00 177.10 176.94 1o81 s VAL 29 N -1.07 1.18 0.37 1.60 -7.23 0.02 -4.67 120.40 110.61 1o81 s VAL 29 Ca 0.08 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 1o81 s VAL 29 Cb -0.10 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.99 1o81 s VAL 29 CO 0.04 -0.68 0.85 -0.76 -0.31 0.00 0.00 175.10 174.24 1o81 s LEU 30 N -3.00 4.02 -0.25 1.32 1.43 0.01 -0.61 118.68 121.60 1o81 s LEU 30 Ca 0.15 1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1o81 s LEU 30 Cb 0.01 -4.29 0.13 0.00 0.03 0.00 0.00 46.19 42.07 1o81 s LEU 30 CO 0.01 -0.27 0.35 -0.75 0.23 0.00 0.00 176.35 175.92 1o81 s LYS 31 N -3.02 0.34 1.32 1.70 2.47 -0.28 -2.12 119.74 120.14 1o81 s LYS 31 Ca 0.58 0.33 0.00 0.00 -1.56 0.00 0.00 55.97 55.31 1o81 s LYS 31 Cb -0.10 -0.57 0.00 0.00 -1.46 0.00 0.00 37.83 35.70 1o81 s LYS 31 CO 0.16 -0.77 0.00 0.41 0.16 0.00 0.00 175.35 175.31 1o81 n GLY 32 N 5.35 -1.07 0.06 5.54 0.00 -1.26 -3.11 105.19 110.71 1o81 n GLY 32 Ca -0.03 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1o81 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o81 h ALA 33 N 0.00 -0.71 -0.37 4.61 0.00 -1.92 -3.39 119.26 117.49 1o81 h ALA 33 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1o81 h ALA 33 Cb 0.00 0.41 -0.38 0.00 0.00 0.00 0.00 17.79 17.82 1o81 h ALA 33 CO 0.00 -0.72 -1.05 0.00 0.00 0.00 0.00 179.25 177.49 1o81 n ALA 34 N -2.41 2.60 -2.71 0.00 0.00 -1.26 -4.97 120.51 111.75 1o81 n ALA 34 Ca -0.01 -2.58 -0.28 0.00 0.00 0.00 0.00 53.44 50.56 1o81 n ALA 34 Cb 0.05 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 1o81 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o81 s ALA 35 N -3.27 3.35 0.08 0.00 0.00 -1.18 -5.03 121.76 115.71 1o81 s ALA 35 Ca 0.26 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1o81 s ALA 35 Cb 0.33 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1o81 s ALA 35 CO -0.05 0.60 -0.07 0.16 0.00 0.00 0.00 175.76 176.39 1o81 s ASP 36 N -2.68 1.11 0.05 0.00 1.47 -1.26 -1.12 116.67 114.24 1o81 s ASP 36 Ca 0.28 -0.86 0.01 0.00 1.18 0.00 0.00 52.55 53.15 1o81 s ASP 36 Cb -0.11 0.07 -0.03 0.00 -0.34 0.00 0.00 42.92 42.51 1o81 s ASP 36 CO 0.20 -0.37 -0.05 0.27 0.68 0.00 0.00 175.17 175.90 1o81 s ILE 37 N -2.88 0.39 0.35 2.11 -4.36 0.22 -4.92 121.20 112.11 1o81 s ILE 37 Ca 0.05 -1.40 -0.29 0.00 -0.26 0.00 0.00 60.65 58.76 1o81 s ILE 37 Cb 0.00 -0.97 -0.11 0.00 1.25 0.00 0.00 42.46 42.63 1o81 s ILE 37 CO -0.03 -0.66 1.47 0.00 0.24 0.00 0.00 174.94 175.96 1o81 s ALA 38 N -2.49 3.59 -0.28 2.27 0.00 -1.26 -0.80 121.76 122.79 1o81 s ALA 38 Ca -0.03 1.51 -0.39 0.00 0.00 0.00 0.00 51.96 53.05 1o81 s ALA 38 Cb -0.02 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.36 1o81 s ALA 38 CO -0.03 -0.96 1.81 -0.11 0.00 0.00 0.00 175.76 176.46 1o81 n LEU 39 N 0.86 2.42 -4.84 0.00 7.94 0.95 -4.77 117.00 119.56 1o81 n LEU 39 Ca 0.02 1.00 -0.32 0.00 -1.11 0.00 0.00 56.01 55.60 1o81 n LEU 39 Cb 0.39 -1.16 -0.04 0.00 0.53 0.00 0.00 43.42 43.15 1o81 n LEU 39 CO 0.63 -0.43 0.68 -2.16 -1.11 0.00 0.00 177.39 175.00 1o81 s PRO 40 N 3.90 3.94 0.14 1.96 0.04 -1.26 -4.98 135.00 138.75 1o81 s PRO 40 Ca 1.00 1.00 0.05 0.00 0.04 0.00 0.00 61.00 63.09 1o81 s PRO 40 Cb -1.04 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 1o81 s PRO 40 CO 0.64 -0.28 1.32 0.66 0.04 0.00 0.00 177.00 179.38 1o81 h SER 41 N 1.03 0.11 -6.40 6.66 4.64 -2.01 -3.47 113.55 114.12 1o81 h SER 41 Ca -0.47 -0.11 -0.50 0.00 -0.47 0.00 0.00 61.79 60.24 1o81 h SER 41 Cb 1.19 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.15 1o81 h SER 41 CO 0.61 1.01 -0.77 0.18 -0.87 0.00 0.00 176.83 176.99 1o81 n LEU 42 N -3.49 -2.25 -4.75 5.97 4.77 -1.26 -4.81 117.00 111.18 1o81 n LEU 42 Ca -0.02 -0.83 -0.41 0.00 -0.03 0.00 0.00 56.01 54.72 1o81 n LEU 42 Cb 0.89 -2.40 0.01 0.00 -2.33 0.00 0.00 43.42 39.59 1o81 n LEU 42 CO 0.48 0.40 1.05 0.00 -1.33 0.00 0.00 177.39 177.99 1o81 n ALA 43 N -4.55 1.98 -0.40 -1.18 0.00 -1.26 -1.72 120.51 113.38 1o81 n ALA 43 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1o81 n ALA 43 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1o81 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o81 n GLY 44 N 0.59 0.82 3.94 0.00 0.00 -1.26 -4.96 105.19 104.32 1o81 n GLY 44 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1o81 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o81 s LYS 45 N -0.31 3.28 -0.21 1.61 1.02 -0.70 -4.96 119.74 119.47 1o81 s LYS 45 Ca 0.00 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 55.61 1o81 s LYS 45 Cb 0.00 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1o81 s LYS 45 CO 0.00 -0.14 0.10 0.99 -0.92 0.00 0.00 175.35 175.39 1o81 s THR 46 N -2.53 4.97 -0.19 2.17 2.01 -0.96 -2.00 115.64 119.12 1o81 s THR 46 Ca 0.45 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.47 1o81 s THR 46 Cb -0.10 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.13 1o81 s THR 46 CO 0.39 0.40 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.93 1o81 s VAL 47 N 0.76 3.01 -0.26 3.82 1.01 0.36 -0.66 120.40 128.45 1o81 s VAL 47 Ca 0.05 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1o81 s VAL 47 Cb -0.13 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1o81 s VAL 47 CO 0.02 0.47 0.14 -0.36 0.00 0.00 0.00 175.10 175.38 1o81 s PHE 48 N 1.14 3.20 -0.24 5.22 0.08 -0.06 -0.35 117.98 126.98 1o81 s PHE 48 Ca 0.01 -0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.86 1o81 s PHE 48 Cb -0.14 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 1o81 s PHE 48 CO -0.03 -0.15 0.55 -0.06 -0.10 0.00 0.00 175.22 175.43 1o81 s PHE 49 N 1.50 3.30 -0.34 0.36 0.40 0.26 0.05 117.98 123.51 1o81 s PHE 49 Ca 0.07 0.73 -0.05 0.00 -0.60 0.00 0.00 56.93 57.08 1o81 s PHE 49 Cb -0.15 -2.75 0.05 0.00 0.51 0.00 0.00 43.02 40.68 1o81 s PHE 49 CO 0.07 -0.25 0.09 -0.47 0.70 0.00 0.00 175.22 175.36 1o81 s TYR 50 N 2.19 3.28 -0.27 0.36 5.04 0.11 -1.84 117.35 126.21 1o81 s TYR 50 Ca 0.24 -1.62 -0.19 0.00 -2.44 0.00 0.00 57.07 53.05 1o81 s TYR 50 Cb -0.16 -2.32 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 1o81 s TYR 50 CO 0.09 -0.77 0.59 -0.06 -1.34 0.00 0.00 175.55 174.05 1o81 s PHE 51 N 1.34 3.25 0.28 4.97 0.40 -0.17 -0.74 117.98 127.32 1o81 s PHE 51 Ca -0.02 0.67 -0.21 0.00 -0.60 0.00 0.00 56.93 56.77 1o81 s PHE 51 Cb -0.20 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.51 1o81 s PHE 51 CO 0.01 -0.36 0.73 0.45 0.70 0.00 0.00 175.22 176.75 1o81 s SER 52 N 1.55 -0.26 0.09 1.36 0.15 -1.06 -2.11 113.70 113.42 1o81 s SER 52 Ca 0.24 -0.61 -0.25 0.00 0.70 0.00 0.00 55.95 56.03 1o81 s SER 52 Cb -0.15 0.72 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 1o81 s SER 52 CO 0.10 -1.34 0.72 0.00 1.20 0.00 0.00 173.24 173.92 1o81 s ALA 53 N -3.89 -1.70 0.49 5.45 0.00 -1.26 -1.17 121.76 119.69 1o81 s ALA 53 Ca 0.11 0.72 0.20 0.00 0.00 0.00 0.00 51.96 52.99 1o81 s ALA 53 Cb -0.06 0.68 1.32 0.00 0.00 0.00 0.00 23.12 25.06 1o81 s ALA 53 CO 0.07 -0.73 2.11 0.66 0.00 0.00 0.00 175.76 177.86 1o81 h SER 54 N 2.01 0.00 -0.09 0.00 4.64 -1.91 -3.03 113.55 115.16 1o81 h SER 54 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1o81 h SER 54 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1o81 h SER 54 CO 0.35 0.08 0.00 -2.67 -0.87 0.00 0.00 176.83 173.72 1o81 n TRP 55 N -4.20 0.15 -3.94 4.77 4.27 -1.26 -4.77 117.44 112.46 1o81 n TRP 55 Ca -0.03 -0.07 -0.33 0.00 -3.89 0.00 0.00 57.50 53.18 1o81 n TRP 55 Cb 0.16 -0.03 -0.14 0.00 -1.36 0.00 0.00 31.31 29.95 1o81 n TRP 55 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1o81 h PRO 57 N 7.84 0.32 0.00 0.00 0.11 -1.89 -1.71 132.00 136.68 1o81 h PRO 57 Ca -0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 1o81 h PRO 57 Cb 1.04 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1o81 h PRO 57 CO 0.56 0.21 -0.17 -1.00 -0.21 0.00 0.00 178.00 177.39 1o81 h PRO 58 N 0.33 0.00 -0.33 1.05 0.13 -1.95 -1.60 132.00 129.63 1o81 h PRO 58 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1o81 h PRO 58 Cb 0.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.18 1o81 h PRO 58 CO -0.10 0.17 0.18 0.00 -0.23 0.00 0.00 178.00 178.02 1o81 h ARG 60 N 0.41 0.46 0.08 0.00 2.43 -0.42 0.79 114.38 118.13 1o81 h ARG 60 Ca 0.12 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 58.98 1o81 h ARG 60 Cb 0.06 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1o81 h ARG 60 CO -0.02 0.39 -1.12 0.00 -1.51 0.00 0.00 179.97 177.71 1o81 h ALA 61 N 1.68 0.20 0.21 2.80 0.00 -1.14 -3.37 119.26 119.65 1o81 h ALA 61 Ca 0.11 -0.80 -0.32 0.00 0.00 0.00 0.00 54.91 53.90 1o81 h ALA 61 Cb 0.11 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1o81 h ALA 61 CO -0.01 0.88 -1.49 0.35 0.00 0.00 0.00 179.25 178.98 1o81 h PHE 62 N 0.15 0.79 -0.69 0.00 3.57 -0.73 -3.38 116.94 116.65 1o81 h PHE 62 Ca -0.12 -0.58 0.13 0.00 3.53 0.00 0.00 57.97 60.94 1o81 h PHE 62 Cb 1.80 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 40.38 1o81 h PHE 62 CO 0.07 1.51 -0.23 1.15 -2.23 0.00 0.00 178.31 178.58 1o81 h THR 63 N 0.12 0.24 -0.48 4.41 2.02 -1.01 0.17 112.91 118.38 1o81 h THR 63 Ca -0.25 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1o81 h THR 63 Cb 2.11 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1o81 h THR 63 CO 0.23 0.00 0.32 -0.65 0.37 0.00 0.00 175.52 175.79 1o81 h PRO 64 N -0.05 0.57 -0.23 6.66 0.11 -1.76 0.27 132.00 137.57 1o81 h PRO 64 Ca 0.31 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.26 1o81 h PRO 64 Cb 0.54 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1o81 h PRO 64 CO -0.73 0.37 -0.39 1.96 -0.21 0.00 0.00 178.00 179.01 1o81 h GLN 65 N 0.58 0.53 -0.15 1.05 4.20 -0.91 -1.77 115.11 118.63 1o81 h GLN 65 Ca 0.19 -0.26 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 1o81 h GLN 65 Cb 0.03 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.82 1o81 h GLN 65 CO -0.05 0.83 -0.63 1.25 -0.67 0.00 0.00 178.83 179.56 1o81 h LEU 66 N 0.44 0.82 -0.53 1.46 5.85 -0.20 -2.29 115.31 120.86 1o81 h LEU 66 Ca 0.04 -0.62 0.03 0.00 0.84 0.00 0.00 57.88 58.17 1o81 h LEU 66 Cb 0.87 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1o81 h LEU 66 CO 0.07 1.30 0.31 0.40 -0.34 0.00 0.00 178.44 180.19 1o81 h ILE 67 N 0.39 1.04 -0.16 4.05 2.04 -0.40 0.13 117.51 124.60 1o81 h ILE 67 Ca -0.04 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1o81 h ILE 67 Cb 1.26 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1o81 h ILE 67 CO 0.13 0.11 0.10 0.44 0.00 0.00 0.00 178.15 178.93 1o81 h ASP 68 N 0.62 0.19 -0.95 1.72 3.32 -1.31 -0.48 116.42 119.52 1o81 h ASP 68 Ca 0.22 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1o81 h ASP 68 Cb 0.04 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1o81 h ASP 68 CO -0.11 0.16 0.62 0.15 -1.72 0.00 0.00 179.24 178.34 1o81 h PHE 69 N 0.19 1.16 -0.01 4.55 3.04 -1.11 -1.76 116.94 123.01 1o81 h PHE 69 Ca 0.06 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1o81 h PHE 69 Cb 0.00 -0.39 -0.00 0.00 2.56 0.00 0.00 35.95 38.13 1o81 h PHE 69 CO -0.06 0.66 0.01 -0.92 -2.02 0.00 0.00 178.31 175.98 1o81 h TYR 70 N 1.19 0.02 -0.14 0.41 3.20 -0.29 -0.87 116.97 120.49 1o81 h TYR 70 Ca 0.38 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.20 1o81 h TYR 70 Cb 0.02 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1o81 h TYR 70 CO -0.01 0.02 -0.18 0.87 -1.64 0.00 0.00 178.16 177.22 1o81 h LYS 71 N 0.01 0.23 -0.00 1.82 1.57 -0.67 0.08 116.57 119.61 1o81 h LYS 71 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1o81 h LYS 71 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1o81 h LYS 71 CO -0.00 0.41 -0.70 0.00 -0.57 0.00 0.00 179.45 178.59 1o81 n ALA 72 N -2.49 4.05 0.00 3.86 0.00 -0.70 -4.61 120.51 120.62 1o81 n ALA 72 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1o81 n ALA 72 Cb 0.30 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1o81 n ALA 72 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o81 n HIS 73 N -1.25 0.00 -0.39 0.00 8.25 -0.35 -4.88 115.22 116.59 1o81 n HIS 73 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 1o81 n HIS 73 Cb 0.35 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 1o81 n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o81 n ALA 74 N -0.05 -0.47 -0.05 -1.41 0.00 0.00 -0.49 120.51 118.05 1o81 n ALA 74 Ca 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 53.44 54.16 1o81 n ALA 74 Cb 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 19.45 19.11 1o81 n ALA 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1o81 h GLU 75 N 0.00 -0.00 -0.70 0.00 4.39 -1.83 -0.85 114.58 115.59 1o81 h GLU 75 Ca 0.21 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.97 1o81 h GLU 75 Cb 0.45 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 1o81 h GLU 75 CO -0.92 0.79 0.39 -0.22 -1.16 0.00 0.00 179.01 177.89 1o81 h LYS 76 N -0.81 0.70 -0.01 2.33 3.64 -1.85 -1.21 116.57 119.37 1o81 h LYS 76 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1o81 h LYS 76 Cb 0.79 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1o81 h LYS 76 CO 0.00 0.46 -0.06 1.63 -2.27 0.00 0.00 179.45 179.21 1o81 n LYS 77 N -4.77 1.24 -3.52 1.90 4.76 0.35 -4.97 118.16 113.15 1o81 n LYS 77 Ca 0.09 -0.60 -0.23 0.00 -2.87 0.00 0.00 58.31 54.70 1o81 n LYS 77 Cb 0.19 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 31.94 1o81 n LYS 77 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1o81 n ASN 78 N -0.36 -4.79 -4.24 4.39 5.15 -0.46 -4.84 115.26 110.12 1o81 n ASN 78 Ca 0.18 -0.85 -0.14 0.00 -0.60 0.00 0.00 54.58 53.17 1o81 n ASN 78 Cb 0.30 -4.23 -0.10 0.00 -0.53 0.00 0.00 39.78 35.22 1o81 n ASN 78 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1o81 s PHE 79 N -3.48 1.21 0.24 1.20 -0.71 -0.45 -2.25 117.98 113.75 1o81 s PHE 79 Ca 0.35 -1.00 0.02 0.00 -1.04 0.00 0.00 56.93 55.27 1o81 s PHE 79 Cb -0.09 -0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 40.98 1o81 s PHE 79 CO 0.80 -0.19 0.04 -2.00 -1.34 0.00 0.00 175.22 172.54 1o81 s GLU 80 N -3.90 1.37 -0.02 1.99 2.56 0.16 -4.68 118.70 116.18 1o81 s GLU 80 Ca 0.23 -1.72 0.02 0.00 0.00 0.00 0.00 54.97 53.50 1o81 s GLU 80 Cb 0.06 -0.46 0.00 0.00 2.00 0.00 0.00 34.13 35.73 1o81 s GLU 80 CO 0.04 -0.19 -0.06 0.08 -0.56 0.00 0.00 175.26 174.57 1o81 s VAL 81 N -3.57 0.52 -0.03 3.70 1.01 -1.26 -0.88 120.40 119.90 1o81 s VAL 81 Ca 0.32 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1o81 s VAL 81 Cb 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1o81 s VAL 81 CO 0.11 0.17 -0.05 -0.32 0.00 0.00 0.00 175.10 175.01 1o81 s MET 82 N 0.14 0.70 -0.03 2.72 1.75 0.11 -1.87 119.30 122.82 1o81 s MET 82 Ca -0.02 -0.14 -0.30 0.00 -1.25 0.00 0.00 55.69 53.99 1o81 s MET 82 Cb -0.06 -0.71 -0.03 0.00 2.84 0.00 0.00 34.83 36.88 1o81 s MET 82 CO -0.00 -0.01 0.98 -1.17 -0.65 0.00 0.00 175.02 174.17 1o81 s LEU 83 N 0.55 4.33 -0.33 4.11 2.96 0.13 -0.72 118.68 129.73 1o81 s LEU 83 Ca -0.07 1.61 -0.01 0.00 -0.22 0.00 0.00 54.13 55.44 1o81 s LEU 83 Cb -0.11 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.10 1o81 s LEU 83 CO 0.00 -0.31 0.04 -0.63 -1.32 0.00 0.00 176.35 174.14 1o81 s ILE 84 N 1.29 2.96 -0.05 6.68 -1.09 0.08 -1.57 121.20 129.50 1o81 s ILE 84 Ca 0.51 -1.62 -0.23 0.00 -2.23 0.00 0.00 60.65 57.07 1o81 s ILE 84 Cb -0.20 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 1o81 s ILE 84 CO 0.25 -0.27 0.70 -0.55 -1.23 0.00 0.00 174.94 173.84 1o81 s SER 85 N 1.35 7.01 -0.26 3.58 0.15 -1.26 -2.55 113.70 121.72 1o81 s SER 85 Ca -0.01 1.22 0.12 0.00 0.70 0.00 0.00 55.95 57.97 1o81 s SER 85 Cb -0.20 -2.42 0.76 0.00 -1.71 0.00 0.00 66.02 62.45 1o81 s SER 85 CO -0.02 -0.09 1.72 0.79 1.20 0.00 0.00 173.24 176.83 1o81 n TRP 86 N 3.62 2.14 -1.19 3.44 7.02 -0.31 -4.96 117.44 127.20 1o81 n TRP 86 Ca -0.02 -0.87 -0.32 0.00 -1.02 0.00 0.00 57.50 55.27 1o81 n TRP 86 Cb 0.51 -0.57 0.11 0.00 -2.42 0.00 0.00 31.31 28.95 1o81 n TRP 86 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1o81 s ASP 87 N -0.81 3.97 0.25 -0.99 1.01 -1.26 -4.88 116.67 113.96 1o81 s ASP 87 Ca 0.52 2.12 0.21 0.00 0.71 0.00 0.00 52.55 56.11 1o81 s ASP 87 Cb 0.41 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.84 1o81 s ASP 87 CO 0.14 -2.40 1.20 -0.33 0.21 0.00 0.00 175.17 173.99 1o81 h GLU 88 N -0.98 0.00 -3.50 8.23 5.08 -1.96 -3.48 114.58 117.97 1o81 h GLU 88 Ca -0.45 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 1o81 h GLU 88 Cb 1.26 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 1o81 h GLU 88 CO 0.48 0.11 -0.10 -1.54 -1.00 0.00 0.00 179.01 176.96 1o81 s SER 89 N -5.79 -0.15 0.29 1.42 1.04 -1.26 -5.05 113.70 104.20 1o81 s SER 89 Ca 0.02 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 1o81 s SER 89 Cb 0.08 0.51 0.43 0.00 0.10 0.00 0.00 66.02 67.14 1o81 s SER 89 CO 0.76 -0.97 1.93 0.00 0.98 0.00 0.00 173.24 175.94 1o81 h ALA 90 N 2.34 1.35 -0.17 5.32 0.00 -1.97 -1.49 119.26 124.64 1o81 h ALA 90 Ca -0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1o81 h ALA 90 Cb 1.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1o81 h ALA 90 CO 0.42 0.55 0.09 0.93 0.00 0.00 0.00 179.25 181.24 1o81 h GLU 91 N 1.04 0.23 -0.82 0.00 3.07 -1.99 -0.77 114.58 115.34 1o81 h GLU 91 Ca 0.27 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 1o81 h GLU 91 Cb -0.01 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 1o81 h GLU 91 CO -0.05 0.24 0.35 -0.44 -1.40 0.00 0.00 179.01 177.71 1o81 h ASP 92 N 0.16 1.10 -0.03 1.42 3.32 -1.90 -2.36 116.42 118.14 1o81 h ASP 92 Ca 0.06 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1o81 h ASP 92 Cb 0.07 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1o81 h ASP 92 CO -0.01 0.96 -0.03 0.15 -1.72 0.00 0.00 179.24 178.59 1o81 h PHE 93 N 1.18 -0.07 -0.31 4.55 3.57 -0.99 -1.14 116.94 123.73 1o81 h PHE 93 Ca 0.27 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.82 1o81 h PHE 93 Cb 0.18 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1o81 h PHE 93 CO 0.02 -0.05 0.08 -0.22 -2.23 0.00 0.00 178.31 175.91 1o81 h LYS 94 N -0.04 0.20 -0.05 1.11 3.64 -0.89 0.12 116.57 120.66 1o81 h LYS 94 Ca 0.02 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 1o81 h LYS 94 Cb 0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1o81 h LYS 94 CO -0.06 0.13 -0.47 -0.44 -2.27 0.00 0.00 179.45 176.35 1o81 h ASP 95 N 0.21 0.14 0.01 4.20 3.32 -1.35 -2.56 116.42 120.38 1o81 h ASP 95 Ca 0.14 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1o81 h ASP 95 Cb 0.13 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.65 1o81 h ASP 95 CO -0.16 0.59 -0.40 0.22 -1.72 0.00 0.00 179.24 177.76 1o81 h TYR 96 N 0.11 0.39 0.00 4.55 3.20 -0.41 -3.31 116.97 121.50 1o81 h TYR 96 Ca 0.00 -0.22 -0.07 0.00 3.14 0.00 0.00 58.73 61.59 1o81 h TYR 96 Cb 0.87 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1o81 h TYR 96 CO 0.01 1.04 -0.32 -0.92 -1.64 0.00 0.00 178.16 176.33 1o81 h TYR 97 N -0.36 0.00 -0.04 -3.82 3.20 -0.83 -3.13 116.97 111.99 1o81 h TYR 97 Ca -0.05 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1o81 h TYR 97 Cb 1.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1o81 h TYR 97 CO 0.17 0.32 0.08 0.00 -1.64 0.00 0.00 178.16 177.09 1o81 h ALA 98 N 1.68 1.38 -0.48 1.82 0.00 -1.54 -0.42 119.26 121.70 1o81 h ALA 98 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1o81 h ALA 98 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1o81 h ALA 98 CO 0.04 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.82 1o81 n LYS 99 N -3.46 3.67 -4.84 0.00 5.02 -1.18 -4.92 118.16 112.44 1o81 n LYS 99 Ca -0.02 -2.38 -0.28 0.00 -2.02 0.00 0.00 58.31 53.61 1o81 n LYS 99 Cb 0.16 -1.96 -0.15 0.00 -0.02 0.00 0.00 35.03 33.07 1o81 n LYS 99 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1o81 s MET 100 N -2.12 1.66 0.00 1.97 -1.94 -0.17 -5.07 119.30 113.63 1o81 s MET 100 Ca 0.42 -1.01 0.26 0.00 -1.71 0.00 0.00 55.69 53.64 1o81 s MET 100 Cb 0.30 -1.78 0.61 0.00 2.01 0.00 0.00 34.83 35.96 1o81 s MET 100 CO 0.16 0.46 1.47 -0.35 -0.01 0.00 0.00 175.02 176.75 1o81 n PRO 101 N 1.90 0.69 0.00 2.03 -0.04 -1.26 -4.79 135.00 133.52 1o81 n PRO 101 Ca -0.17 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1o81 n PRO 101 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1o81 n PRO 101 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1o81 n TRP 102 N -0.78 0.00 -2.81 0.54 2.14 -1.26 -4.82 117.44 110.44 1o81 n TRP 102 Ca 0.10 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.45 1o81 n TRP 102 Cb 0.36 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.88 1o81 n TRP 102 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1o81 s LEU 103 N 0.00 3.48 -0.08 5.67 1.43 -0.78 -4.20 118.68 124.20 1o81 s LEU 103 Ca 0.00 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1o81 s LEU 103 Cb 0.00 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 43.14 1o81 s LEU 103 CO 0.00 -0.88 0.34 0.00 0.23 0.00 0.00 176.35 176.03 1o81 s ALA 104 N -2.67 -0.84 0.06 4.21 0.00 -0.90 -0.69 121.76 120.93 1o81 s ALA 104 Ca 0.52 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.87 1o81 s ALA 104 Cb -0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1o81 s ALA 104 CO 0.39 -0.21 1.20 -1.17 0.00 0.00 0.00 175.76 175.97 1o81 s LEU 105 N -0.50 4.37 0.22 0.00 2.96 -0.61 -0.81 118.68 124.31 1o81 s LEU 105 Ca -0.06 2.00 -0.31 0.00 -0.22 0.00 0.00 54.13 55.54 1o81 s LEU 105 Cb -0.04 -3.58 -0.14 0.00 0.50 0.00 0.00 46.19 42.93 1o81 s LEU 105 CO 0.02 -0.47 1.24 -2.65 -1.32 0.00 0.00 176.35 173.17 1o81 n PRO 106 N 3.98 1.55 -0.34 0.98 -0.02 -1.26 -4.76 135.00 135.13 1o81 n PRO 106 Ca 0.09 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1o81 n PRO 106 Cb 0.46 -2.10 0.24 0.00 -0.02 0.00 0.00 33.50 32.08 1o81 n PRO 106 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1o81 h PHE 107 N 3.50 1.10 -0.18 6.00 3.57 -1.98 -1.89 116.94 127.05 1o81 h PHE 107 Ca -0.44 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.15 1o81 h PHE 107 Cb 1.31 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1o81 h PHE 107 CO 0.54 0.51 0.20 0.93 -2.23 0.00 0.00 178.31 178.27 1o81 h GLU 108 N 1.03 0.00 -3.70 1.11 3.07 -2.01 -3.21 114.58 110.87 1o81 h GLU 108 Ca 0.44 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.56 1o81 h GLU 108 Cb 0.33 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.12 1o81 h GLU 108 CO -0.20 0.00 2.31 -3.47 -1.40 0.00 0.00 179.01 176.26 1o81 n ASP 109 N -3.81 4.76 0.10 1.42 2.03 -0.71 -4.64 116.55 115.70 1o81 n ASP 109 Ca 0.02 -3.03 -0.04 0.00 0.52 0.00 0.00 54.79 52.25 1o81 n ASP 109 Cb 0.33 -1.53 0.10 0.00 -0.72 0.00 0.00 41.12 39.30 1o81 n ASP 109 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1o81 h ARG 110 N 5.87 0.12 -0.30 -0.67 2.47 -1.81 -1.95 114.38 118.11 1o81 h ARG 110 Ca 0.44 -0.09 -0.07 0.00 -1.26 0.00 0.00 59.98 59.00 1o81 h ARG 110 Cb 0.64 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 1o81 h ARG 110 CO 1.69 0.75 -0.10 0.87 0.56 0.00 0.00 179.97 183.74 1o81 h LYS 111 N 0.08 0.49 -0.13 0.04 1.57 -1.92 -1.45 116.57 115.24 1o81 h LYS 111 Ca -0.01 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1o81 h LYS 111 Cb 1.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1o81 h LYS 111 CO 0.10 0.59 -0.27 0.78 -0.57 0.00 0.00 179.45 180.08 1o81 h GLY 112 N 0.90 0.26 1.13 3.86 0.00 -1.80 -0.97 103.07 106.44 1o81 h GLY 112 Ca 0.09 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 1o81 h GLY 112 CO 0.02 0.18 -0.33 1.98 0.00 0.00 0.00 176.54 178.40 1o81 h MET 113 N 0.22 0.96 -0.48 4.80 1.85 -0.62 -2.84 114.93 118.83 1o81 h MET 113 Ca 0.03 -0.47 -0.13 0.00 -0.61 0.00 0.00 59.70 58.52 1o81 h MET 113 Cb 0.59 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 1o81 h MET 113 CO 0.04 1.14 -0.22 0.93 -0.40 0.00 0.00 176.91 178.40 1o81 h GLU 114 N 0.80 0.99 -0.22 0.39 4.39 -1.07 -0.56 114.58 119.29 1o81 h GLU 114 Ca 0.08 -0.43 0.01 0.00 0.34 0.00 0.00 59.36 59.36 1o81 h GLU 114 Cb 0.92 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1o81 h GLU 114 CO 0.09 1.10 0.11 0.35 -1.16 0.00 0.00 179.01 179.50 1o81 h PHE 115 N 0.85 0.21 -0.12 4.33 3.57 -1.16 -0.18 116.94 124.43 1o81 h PHE 115 Ca 0.11 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 1o81 h PHE 115 Cb 0.80 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1o81 h PHE 115 CO 0.05 0.12 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.60 1o81 h LEU 116 N 0.24 0.45 -0.58 0.59 3.38 -1.43 0.18 115.31 118.14 1o81 h LEU 116 Ca 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1o81 h LEU 116 Cb 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1o81 h LEU 116 CO -0.06 0.94 0.34 0.74 0.09 0.00 0.00 178.44 180.49 1o81 h THR 117 N 0.30 1.18 -0.23 0.22 2.02 -0.78 -1.34 112.91 114.29 1o81 h THR 117 Ca -0.00 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1o81 h THR 117 Cb 1.11 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1o81 h THR 117 CO 0.10 0.18 -0.06 0.74 0.37 0.00 0.00 175.52 176.85 1o81 h THR 118 N 0.79 1.29 -0.90 3.16 2.02 -0.91 -0.14 112.91 118.21 1o81 h THR 118 Ca 0.21 -1.07 0.06 0.00 0.77 0.00 0.00 66.41 66.38 1o81 h THR 118 Cb -0.00 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 1o81 h THR 118 CO -0.04 0.33 0.57 1.23 0.37 0.00 0.00 175.52 177.98 1o81 h GLY 119 N 0.17 1.36 -0.77 2.16 0.00 -0.73 -1.78 103.07 103.48 1o81 h GLY 119 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1o81 h GLY 119 CO 0.02 0.30 -0.06 0.69 0.00 0.00 0.00 176.54 177.50 1o81 n PHE 120 N -4.57 0.00 -3.68 5.60 3.72 -0.52 -4.97 117.46 113.03 1o81 n PHE 120 Ca 0.13 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.29 1o81 n PHE 120 Cb 0.16 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1o81 n PHE 120 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1o81 n ASP 121 N 0.35 -2.87 -4.60 4.37 2.03 -0.41 -4.90 116.55 110.52 1o81 n ASP 121 Ca 0.16 -0.90 -0.43 0.00 0.52 0.00 0.00 54.79 54.15 1o81 n ASP 121 Cb 0.42 -3.82 -0.04 0.00 -0.72 0.00 0.00 41.12 36.96 1o81 n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1o81 s VAL 122 N -3.62 4.57 -0.72 5.18 1.01 -0.20 -4.89 120.40 121.73 1o81 s VAL 122 Ca 0.19 1.17 0.19 0.00 0.00 0.00 0.00 61.98 63.53 1o81 s VAL 122 Cb -0.06 -4.34 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 1o81 s VAL 122 CO 0.83 -0.56 0.72 0.29 0.00 0.00 0.00 175.10 176.38 1o81 n LYS 123 N 6.81 0.80 -3.72 2.72 5.02 -1.26 -4.91 118.16 123.61 1o81 n LYS 123 Ca 0.07 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1o81 n LYS 123 Cb 0.48 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 1o81 n LYS 123 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1o81 s SER 124 N -3.04 -0.18 0.26 4.39 1.04 -1.26 -5.19 113.70 109.73 1o81 s SER 124 Ca 0.04 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.18 1o81 s SER 124 Cb 0.14 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.66 1o81 s SER 124 CO 0.77 -0.84 -0.06 0.27 0.98 0.00 0.00 173.24 174.37 1o81 s ILE 125 N -3.21 1.53 0.68 -1.02 -4.36 -1.26 -4.27 121.20 109.29 1o81 s ILE 125 Ca 0.12 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 1o81 s ILE 125 Cb -0.01 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 1o81 s ILE 125 CO 0.01 -0.34 1.05 -2.16 0.24 0.00 0.00 174.94 173.75 1o81 s PRO 126 N -3.75 3.06 -0.04 0.37 0.04 -1.26 -4.82 135.00 128.60 1o81 s PRO 126 Ca 0.28 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 1o81 s PRO 126 Cb 0.04 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1o81 s PRO 126 CO 0.11 -1.00 0.07 0.99 0.04 0.00 0.00 177.00 177.21 1o81 s THR 127 N -3.02 -0.10 -0.15 1.26 2.01 -0.90 -5.01 115.64 109.74 1o81 s THR 127 Ca 0.58 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.88 1o81 s THR 127 Cb -0.14 -0.16 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1o81 s THR 127 CO 0.53 0.13 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.27 1o81 s LEU 128 N 1.63 1.60 -0.05 4.42 2.96 -1.26 -1.00 118.68 126.98 1o81 s LEU 128 Ca -0.03 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1o81 s LEU 128 Cb -0.12 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.53 1o81 s LEU 128 CO -0.04 -0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.08 1o81 s VAL 129 N 1.56 1.07 -0.16 1.68 1.01 -0.77 -4.51 120.40 120.29 1o81 s VAL 129 Ca 0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1o81 s VAL 129 Cb -0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1o81 s VAL 129 CO -0.09 0.33 0.02 -0.83 0.00 0.00 0.00 175.10 174.53 1o81 s GLY 130 N 0.49 1.83 0.18 4.51 0.00 -0.87 -0.58 107.32 112.88 1o81 s GLY 130 Ca -0.10 -0.78 0.10 0.00 0.00 0.00 0.00 44.72 43.94 1o81 s GLY 130 CO 0.03 -0.07 -0.22 -1.34 0.00 0.00 0.00 173.10 171.50 1o81 s VAL 131 N 0.21 2.11 -0.36 1.40 -7.23 0.53 0.43 120.40 117.49 1o81 s VAL 131 Ca 0.01 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 57.98 1o81 s VAL 131 Cb -0.13 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.84 1o81 s VAL 131 CO 0.01 -0.19 0.87 -0.70 -0.31 0.00 0.00 175.10 174.79 1o81 s GLU 132 N -2.67 3.81 0.37 4.82 2.12 0.02 -0.48 118.70 126.69 1o81 s GLU 132 Ca 0.18 0.48 0.08 0.00 0.36 0.00 0.00 54.97 56.07 1o81 s GLU 132 Cb -0.07 -3.80 0.81 0.00 0.26 0.00 0.00 34.13 31.33 1o81 s GLU 132 CO 0.08 -0.91 1.93 0.00 -0.54 0.00 0.00 175.26 175.83 1o81 h ALA 133 N 8.47 1.80 -0.26 6.30 0.00 -1.67 0.33 119.26 134.23 1o81 h ALA 133 Ca -0.24 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1o81 h ALA 133 Cb 1.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1o81 h ALA 133 CO 0.95 0.04 -0.27 -0.44 0.00 0.00 0.00 179.25 179.54 1o81 h ASP 134 N 0.68 0.69 0.00 0.00 3.32 -1.84 -3.30 116.42 115.98 1o81 h ASP 134 Ca 0.35 -0.47 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 1o81 h ASP 134 Cb 0.47 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1o81 h ASP 134 CO -0.13 1.02 -2.02 -1.54 -1.72 0.00 0.00 179.24 174.85 1o81 n SER 135 N -4.31 0.29 0.00 6.45 3.41 -1.10 -4.65 113.62 113.71 1o81 n SER 135 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1o81 n SER 135 Cb 0.45 1.74 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 1o81 n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o81 n GLY 136 N 1.43 0.61 3.79 5.00 0.00 0.12 -5.01 105.19 111.14 1o81 n GLY 136 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1o81 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o81 s ASN 137 N -2.09 7.23 -0.03 1.61 -0.87 -1.24 -4.79 114.94 114.76 1o81 s ASN 137 Ca 0.00 1.75 -0.30 0.00 -1.57 0.00 0.00 52.86 52.74 1o81 s ASN 137 Cb 0.00 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.64 1o81 s ASN 137 CO 0.00 -0.11 1.27 -0.63 -2.57 0.00 0.00 177.10 175.07 1o81 s ILE 138 N -1.70 4.05 -0.17 0.60 1.01 -1.26 -0.80 121.20 122.92 1o81 s ILE 138 Ca 0.51 1.40 -0.23 0.00 0.00 0.00 0.00 60.65 62.33 1o81 s ILE 138 Cb -0.17 -3.90 -0.21 0.00 0.01 0.00 0.00 42.46 38.20 1o81 s ILE 138 CO 0.22 0.00 0.44 0.40 0.00 0.00 0.00 174.94 176.00 1o81 h ILE 139 N 4.95 1.23 -3.26 2.92 1.08 -0.34 -3.47 117.51 120.62 1o81 h ILE 139 Ca -0.36 -2.14 -0.14 0.00 -0.39 0.00 0.00 64.86 61.83 1o81 h ILE 139 Cb 1.17 2.54 -0.22 0.00 -3.07 0.00 0.00 36.82 37.24 1o81 h ILE 139 CO 0.88 0.42 -0.41 0.28 -0.69 0.00 0.00 178.15 178.63 1o81 s THR 140 N -2.25 0.05 -0.28 -0.27 -1.32 -1.06 -2.41 115.64 108.10 1o81 s THR 140 Ca -0.22 -0.40 0.03 0.00 -1.21 0.00 0.00 61.69 59.89 1o81 s THR 140 Cb 0.01 -0.45 0.08 0.00 -1.51 0.00 0.00 72.50 70.63 1o81 s THR 140 CO 0.59 -0.22 1.02 0.35 -2.21 0.00 0.00 174.62 174.15 1o81 n THR 141 N 1.90 0.89 -0.80 5.08 -2.24 -1.26 -2.05 114.28 115.79 1o81 n THR 141 Ca -0.19 -0.94 0.08 0.00 -2.27 0.00 0.00 64.05 60.72 1o81 n THR 141 Cb 0.57 0.56 0.13 0.00 -2.10 0.00 0.00 70.33 69.49 1o81 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o81 n GLN 142 N -0.16 1.97 -0.10 -0.78 10.64 -1.26 -4.74 117.38 122.94 1o81 n GLN 142 Ca 0.03 -2.38 0.01 0.00 -1.83 0.00 0.00 57.00 52.83 1o81 n GLN 142 Cb 0.28 -1.44 0.32 0.00 -0.86 0.00 0.00 30.24 28.53 1o81 n GLN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1o81 h ALA 143 N 0.39 1.52 -0.75 2.61 0.00 -1.83 -0.74 119.26 120.47 1o81 h ALA 143 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1o81 h ALA 143 Cb 0.96 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1o81 h ALA 143 CO 0.04 0.41 0.49 -0.09 0.00 0.00 0.00 179.25 180.10 1o81 h ARG 144 N 0.76 0.93 0.00 0.00 1.12 -1.85 0.41 114.38 115.74 1o81 h ARG 144 Ca 0.20 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.98 1o81 h ARG 144 Cb -0.01 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.74 1o81 h ARG 144 CO -0.04 0.61 -1.11 2.41 -3.11 0.00 0.00 179.97 178.74 1o81 n THR 145 N -4.44 0.71 0.15 0.20 -1.04 -0.96 -4.23 114.28 104.67 1o81 n THR 145 Ca 0.09 -0.57 0.11 0.00 -2.04 0.00 0.00 64.05 61.64 1o81 n THR 145 Cb 0.08 -0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 68.09 1o81 n THR 145 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1o81 n MET 146 N -2.70 0.56 0.24 -2.82 2.81 -0.32 -2.96 117.12 111.92 1o81 n MET 146 Ca -0.02 -0.08 0.07 0.00 -1.81 0.00 0.00 57.70 55.86 1o81 n MET 146 Cb 0.60 -1.61 0.57 0.00 -0.71 0.00 0.00 33.22 32.07 1o81 n MET 146 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1o81 h VAL 147 N 0.00 1.03 0.00 2.03 2.07 -0.37 0.46 116.25 121.47 1o81 h VAL 147 Ca 0.00 -0.49 -0.26 0.00 0.82 0.00 0.00 66.70 66.77 1o81 h VAL 147 Cb 0.94 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1o81 h VAL 147 CO 0.00 0.14 -1.79 1.33 0.02 0.00 0.00 177.57 177.26 1o81 n VAL 148 N -4.26 1.36 0.06 2.57 0.24 -1.25 -3.70 118.33 113.35 1o81 n VAL 148 Ca -0.02 -0.77 -0.01 0.00 -2.04 0.00 0.00 64.34 61.50 1o81 n VAL 148 Cb 0.21 -0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 31.75 1o81 n VAL 148 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1o81 h LYS 149 N 0.00 0.00 -2.17 7.34 1.57 -1.37 -3.38 116.57 118.55 1o81 h LYS 149 Ca -0.30 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.93 1o81 h LYS 149 Cb 1.89 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.79 1o81 h LYS 149 CO 0.05 0.45 -0.84 -3.47 -0.57 0.00 0.00 179.45 175.08 1o81 n ASP 150 N -3.05 3.02 -0.20 0.86 4.64 0.16 -4.94 116.55 117.04 1o81 n ASP 150 Ca -0.06 -3.39 0.17 0.00 -1.38 0.00 0.00 54.79 50.12 1o81 n ASP 150 Cb 0.84 -0.59 0.50 0.00 -1.04 0.00 0.00 41.12 40.83 1o81 n ASP 150 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1o81 h PRO 151 N 3.17 0.41 -0.00 -0.67 0.11 -1.74 0.33 132.00 133.61 1o81 h PRO 151 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1o81 h PRO 151 Cb 0.69 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1o81 h PRO 151 CO 0.70 0.27 -0.03 0.39 -0.21 0.00 0.00 178.00 179.12 1o81 n GLU 152 N -4.49 0.90 -3.43 1.05 -0.58 -1.26 -4.91 120.64 107.92 1o81 n GLU 152 Ca 0.16 -0.21 -0.18 0.00 -0.42 0.00 0.00 57.16 56.51 1o81 n GLU 152 Cb 0.59 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.03 1o81 n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1o81 n ALA 153 N -0.87 -2.21 0.09 0.62 0.00 0.11 -4.93 120.51 113.32 1o81 n ALA 153 Ca 0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1o81 n ALA 153 Cb 0.22 -3.59 -0.01 0.00 0.00 0.00 0.00 19.45 16.07 1o81 n ALA 153 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1o81 h LYS 154 N -1.62 0.06 -0.07 0.00 3.64 -1.92 -3.33 116.57 113.33 1o81 h LYS 154 Ca -0.61 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1o81 h LYS 154 Cb 1.33 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1o81 h LYS 154 CO 0.49 0.89 0.00 -0.25 -2.27 0.00 0.00 179.45 178.31 1o81 n ASP 155 N -3.57 2.30 -4.73 4.20 8.00 -1.26 -5.03 116.55 116.46 1o81 n ASP 155 Ca -0.02 -2.22 -0.37 0.00 0.71 0.00 0.00 54.79 52.89 1o81 n ASP 155 Cb 0.81 -0.13 0.07 0.00 -0.02 0.00 0.00 41.12 41.85 1o81 n ASP 155 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1o81 s PHE 156 N -1.38 2.09 -0.15 1.24 2.19 -1.25 -0.82 117.98 119.90 1o81 s PHE 156 Ca 0.11 1.47 0.01 0.00 0.33 0.00 0.00 56.93 58.85 1o81 s PHE 156 Cb 0.08 -3.71 0.18 0.00 -1.31 0.00 0.00 43.02 38.26 1o81 s PHE 156 CO 0.04 -2.94 1.22 -0.35 1.83 0.00 0.00 175.22 175.02 1o81 n PRO 157 N -1.83 1.36 -3.93 10.12 -0.04 -1.26 -4.95 135.00 134.46 1o81 n PRO 157 Ca 0.15 -0.79 -0.31 0.00 -0.04 0.00 0.00 63.50 62.51 1o81 n PRO 157 Cb 0.48 -1.33 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1o81 n PRO 157 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1o81 n TRP 158 N 0.07 -1.64 -1.73 0.54 8.01 0.00 -4.62 117.44 118.07 1o81 n TRP 158 Ca 0.15 0.53 -0.42 0.00 -1.31 0.00 0.00 57.50 56.45 1o81 n TRP 158 Cb 0.79 -3.39 -0.03 0.00 -2.01 0.00 0.00 31.31 26.68 1o81 n TRP 158 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1o81 s PRO 159 N -6.62 4.13 0.00 -0.99 0.04 -1.26 -4.68 135.00 125.61 1o81 s PRO 159 Ca 0.23 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1o81 s PRO 159 Cb -0.10 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1o81 s PRO 159 CO 0.91 -0.76 0.00 0.27 0.04 0.00 0.00 177.00 177.46 1o81 n ASN 160 N 4.09 0.00 0.00 6.66 2.04 -1.01 -5.01 115.26 122.02 1o81 n ASN 160 Ca 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.30 1o81 n ASN 160 Cb 0.35 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 1o81 n ASN 160 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37