#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8i h PRO 11 N 0.00 0.00 -3.31 0.00 0.13 -1.90 -3.43 132.00 123.50 2f8i h PRO 11 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 2f8i h PRO 11 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 2f8i h PRO 11 CO 0.00 0.00 -0.72 -1.17 -0.23 0.00 0.00 178.00 175.88 2f8i s LEU 12 N -5.50 0.26 0.06 1.56 2.96 -1.26 -0.24 118.68 116.52 2f8i s LEU 12 Ca 0.06 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 2f8i s LEU 12 Cb 0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 2f8i s LEU 12 CO 0.57 -0.23 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.94 2f8i s MET 13 N 2.00 0.68 -0.05 1.98 -2.45 -0.31 -4.39 119.30 116.77 2f8i s MET 13 Ca 0.02 -0.85 0.04 0.00 -1.25 0.00 0.00 55.69 53.65 2f8i s MET 13 Cb -0.12 -0.58 -0.00 0.00 1.25 0.00 0.00 34.83 35.38 2f8i s MET 13 CO -0.03 0.12 -0.17 0.08 1.05 0.00 0.00 175.02 176.07 2f8i s VAL 14 N -1.29 1.43 -0.05 10.11 1.01 -0.79 -1.10 120.40 129.72 2f8i s VAL 14 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2f8i s VAL 14 Cb -0.10 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2f8i s VAL 14 CO 0.01 0.41 -0.14 -0.75 0.00 0.00 0.00 175.10 174.64 2f8i s LYS 15 N 0.17 1.59 -0.07 2.72 2.20 -0.48 -0.72 119.74 125.14 2f8i s LYS 15 Ca -0.07 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 2f8i s LYS 15 Cb -0.13 -1.37 0.01 0.00 -1.51 0.00 0.00 37.83 34.84 2f8i s LYS 15 CO 0.03 0.13 -0.13 0.08 -0.36 0.00 0.00 175.35 175.11 2f8i s VAL 16 N 0.31 1.20 0.19 4.02 1.01 0.14 -0.77 120.40 126.49 2f8i s VAL 16 Ca -0.08 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.51 2f8i s VAL 16 Cb -0.13 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2f8i s VAL 16 CO 0.02 0.37 -0.24 -0.76 0.00 0.00 0.00 175.10 174.49 2f8i s LEU 17 N 0.75 2.42 -0.27 3.92 1.43 -0.20 -0.69 118.68 126.04 2f8i s LEU 17 Ca -0.13 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 2f8i s LEU 17 Cb -0.16 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.89 2f8i s LEU 17 CO 0.03 0.13 0.04 -0.62 0.23 0.00 0.00 176.35 176.16 2f8i s ASP 18 N -2.61 4.90 0.10 2.29 -1.08 0.81 -0.96 116.67 120.12 2f8i s ASP 18 Ca 0.20 -0.59 0.26 0.00 -0.52 0.00 0.00 52.55 51.90 2f8i s ASP 18 Cb -0.08 -1.84 0.71 0.00 -1.46 0.00 0.00 42.92 40.25 2f8i s ASP 18 CO 0.09 -0.13 1.61 0.00 0.52 0.00 0.00 175.17 177.27 2f8i n ALA 19 N 4.84 2.69 -0.03 3.66 0.00 -0.01 -1.39 120.51 130.28 2f8i n ALA 19 Ca -0.16 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 52.93 2f8i n ALA 19 Cb 0.49 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 2f8i n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2f8i h VAL 20 N 0.00 1.28 -0.00 0.00 2.07 -1.94 -3.38 116.25 114.27 2f8i h VAL 20 Ca 0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2f8i h VAL 20 Cb 0.65 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2f8i h VAL 20 CO 0.00 0.60 -0.97 0.54 0.02 0.00 0.00 177.57 177.76 2f8i n ARG 21 N -4.24 0.07 -2.82 1.57 1.74 -1.25 -5.00 116.66 106.73 2f8i n ARG 21 Ca -0.21 -0.06 -0.10 0.00 -0.77 0.00 0.00 57.85 56.72 2f8i n ARG 21 Cb 0.73 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.72 2f8i n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f8i n GLY 22 N 1.50 0.03 3.29 -0.13 0.00 -0.49 -5.03 105.19 104.36 2f8i n GLY 22 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2f8i n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f8i s SER 23 N -3.64 0.10 0.60 1.61 1.04 -1.07 -5.00 113.70 107.33 2f8i s SER 23 Ca 0.05 -0.90 -0.20 0.00 0.48 0.00 0.00 55.95 55.38 2f8i s SER 23 Cb -0.02 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2f8i s SER 23 CO 0.39 -0.84 1.33 -2.84 0.98 0.00 0.00 173.24 172.26 2f8i s PRO 24 N -3.97 2.84 -0.45 4.02 0.02 -1.26 -0.13 135.00 136.07 2f8i s PRO 24 Ca 0.17 2.17 -0.19 0.00 0.02 0.00 0.00 61.00 63.16 2f8i s PRO 24 Cb 0.04 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.54 2f8i s PRO 24 CO -0.01 -1.40 0.58 0.00 -0.33 0.00 0.00 177.00 175.84 2f8i s ALA 25 N -1.34 3.38 0.07 -1.55 0.00 0.13 -4.55 121.76 117.91 2f8i s ALA 25 Ca 0.77 -1.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 2f8i s ALA 25 Cb -0.39 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2f8i s ALA 25 CO 0.44 -1.80 0.34 0.42 0.00 0.00 0.00 175.76 175.16 2f8i s ILE 26 N 2.58 5.19 -1.31 0.00 1.01 -1.26 -4.36 121.20 123.06 2f8i s ILE 26 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2f8i s ILE 26 Cb -0.16 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2f8i s ILE 26 CO 0.15 0.23 0.00 -3.20 0.00 0.00 0.00 174.94 172.13 2f8i n ASN 27 N 0.70 -4.52 -4.70 3.58 4.05 -0.40 -4.93 115.26 109.04 2f8i n ASN 27 Ca -0.07 0.05 -0.40 0.00 0.45 0.00 0.00 54.58 54.61 2f8i n ASN 27 Cb 0.52 -3.61 -0.05 0.00 1.23 0.00 0.00 39.78 37.87 2f8i n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2f8i s VAL 28 N -2.70 5.03 0.24 3.44 1.01 -1.26 -4.74 120.40 121.42 2f8i s VAL 28 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 2f8i s VAL 28 Cb 0.00 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 2f8i s VAL 28 CO 0.00 0.21 1.12 0.00 0.00 0.00 0.00 175.10 176.43 2f8i s ALA 29 N 1.13 3.41 -0.06 5.51 0.00 -1.26 -0.97 121.76 129.51 2f8i s ALA 29 Ca 0.36 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2f8i s ALA 29 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2f8i s ALA 29 CO 0.16 -0.22 -0.05 0.08 0.00 0.00 0.00 175.76 175.74 2f8i s VAL 30 N -0.76 0.62 -0.08 0.00 1.01 -0.18 -0.84 120.40 120.18 2f8i s VAL 30 Ca 0.47 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2f8i s VAL 30 Cb -0.32 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2f8i s VAL 30 CO 0.39 0.26 -0.22 -1.00 0.00 0.00 0.00 175.10 174.53 2f8i s HIS 31 N 1.23 2.54 -0.08 5.22 3.76 0.04 -1.50 115.29 126.50 2f8i s HIS 31 Ca -0.06 -0.73 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 2f8i s HIS 31 Cb -0.14 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 2f8i s HIS 31 CO -0.02 -0.22 -0.13 0.08 -0.85 0.00 0.00 174.74 173.61 2f8i s VAL 32 N -0.04 3.17 0.13 -0.90 1.01 0.22 0.41 120.40 124.40 2f8i s VAL 32 Ca -0.06 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.32 2f8i s VAL 32 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2f8i s VAL 32 CO 0.05 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.21 2f8i s PHE 33 N -0.34 1.43 0.03 5.22 0.40 0.72 -1.04 117.98 124.40 2f8i s PHE 33 Ca 0.03 -0.56 0.09 0.00 -0.60 0.00 0.00 56.93 55.89 2f8i s PHE 33 Cb -0.13 -0.74 -0.03 0.00 0.51 0.00 0.00 43.02 42.64 2f8i s PHE 33 CO 0.02 0.16 -0.25 0.50 0.70 0.00 0.00 175.22 176.35 2f8i s ARG 34 N -2.78 1.91 -0.03 0.44 3.52 -0.27 -1.15 118.95 120.58 2f8i s ARG 34 Ca 0.10 -1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 54.35 2f8i s ARG 34 Cb -0.04 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2f8i s ARG 34 CO 0.03 0.53 1.17 0.21 -0.81 0.00 0.00 175.30 176.43 2f8i s LYS 35 N -1.15 4.39 0.67 5.12 2.20 -0.01 -1.35 119.74 129.61 2f8i s LYS 35 Ca 0.12 1.65 -0.05 0.00 -0.36 0.00 0.00 55.97 57.33 2f8i s LYS 35 Cb -0.10 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2f8i s LYS 35 CO 0.02 -0.37 0.96 0.00 -0.36 0.00 0.00 175.35 175.60 2f8i s ALA 36 N 1.89 3.32 -2.00 3.13 0.00 -0.55 -4.76 121.76 122.79 2f8i s ALA 36 Ca 0.55 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.53 2f8i s ALA 36 Cb -0.25 -2.49 0.15 0.00 0.00 0.00 0.00 23.12 20.54 2f8i s ALA 36 CO 0.23 -1.17 0.62 0.00 0.00 0.00 0.00 175.76 175.44 2f8i n ALA 37 N -2.79 1.60 -0.04 0.00 0.00 -1.26 -2.22 120.51 115.80 2f8i n ALA 37 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.52 2f8i n ALA 37 Cb 0.60 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 19.06 2f8i n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2f8i n ASP 38 N -0.98 2.24 0.00 0.00 5.75 -1.26 -4.99 116.55 117.32 2f8i n ASP 38 Ca 0.02 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2f8i n ASP 38 Cb 0.01 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2f8i n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2f8i n ASP 39 N -0.07 -0.11 -4.97 -1.12 10.43 -0.94 -5.04 116.55 114.72 2f8i n ASP 39 Ca 0.04 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 57.19 2f8i n ASP 39 Cb 0.29 -0.06 -0.00 0.00 1.84 0.00 0.00 41.12 43.19 2f8i n ASP 39 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2f8i s THR 40 N -3.88 4.41 -0.27 -3.53 -4.23 -1.26 -4.88 115.64 101.99 2f8i s THR 40 Ca 0.00 -0.81 -0.13 0.00 -1.18 0.00 0.00 61.69 59.57 2f8i s THR 40 Cb 0.00 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 2f8i s THR 40 CO 0.00 -0.28 0.29 0.26 -0.54 0.00 0.00 174.62 174.35 2f8i s TRP 41 N -2.25 3.24 -0.14 3.99 0.52 -1.26 -1.49 118.94 121.56 2f8i s TRP 41 Ca 0.43 0.28 -0.05 0.00 0.02 0.00 0.00 56.10 56.78 2f8i s TRP 41 Cb -0.10 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.71 2f8i s TRP 41 CO 0.33 -0.18 0.04 -1.83 0.02 0.00 0.00 176.95 175.33 2f8i s GLU 42 N 1.88 3.52 0.33 4.98 -1.05 -0.46 -4.93 118.70 122.97 2f8i s GLU 42 Ca 0.11 -0.35 -0.27 0.00 -0.15 0.00 0.00 54.97 54.32 2f8i s GLU 42 Cb -0.16 -3.03 -0.13 0.00 -0.44 0.00 0.00 34.13 30.37 2f8i s GLU 42 CO 0.10 0.50 0.98 -2.30 0.95 0.00 0.00 175.26 175.49 2f8i n PRO 43 N 2.81 1.31 0.00 -4.83 -0.02 -1.26 -1.11 135.00 131.90 2f8i n PRO 43 Ca -0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2f8i n PRO 43 Cb 0.53 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2f8i n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2f8i n PHE 44 N -0.04 0.00 -3.57 6.00 7.35 -0.20 -4.73 117.46 122.27 2f8i n PHE 44 Ca 0.09 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.68 2f8i n PHE 44 Cb 0.34 0.11 -0.05 0.00 0.35 0.00 0.00 39.48 40.24 2f8i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2f8i s ALA 45 N -1.72 -1.92 0.22 3.13 0.00 -0.99 -5.00 121.76 115.48 2f8i s ALA 45 Ca 0.00 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 2f8i s ALA 45 Cb 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.63 2f8i s ALA 45 CO 0.00 -0.37 0.64 -1.54 0.00 0.00 0.00 175.76 174.49 2f8i s SER 46 N -1.31 -0.39 -0.02 0.00 1.04 -1.26 0.71 113.70 112.47 2f8i s SER 46 Ca -0.01 -0.34 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 2f8i s SER 46 Cb -0.01 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.82 2f8i s SER 46 CO 0.00 -1.14 0.73 0.61 0.98 0.00 0.00 173.24 174.42 2f8i n GLY 47 N -0.41 0.35 3.35 7.32 0.00 -0.56 -4.99 105.19 110.25 2f8i n GLY 47 Ca -0.10 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2f8i n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f8i s LYS 48 N -2.01 2.32 0.60 1.61 -0.14 -1.26 -1.01 119.74 119.85 2f8i s LYS 48 Ca 0.17 -0.86 -0.20 0.00 -1.36 0.00 0.00 55.97 53.73 2f8i s LYS 48 Cb -0.00 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.95 2f8i s LYS 48 CO -0.01 0.54 1.30 0.95 -0.76 0.00 0.00 175.35 177.37 2f8i s THR 49 N -0.54 2.18 0.66 2.17 -4.23 -0.14 -4.80 115.64 110.92 2f8i s THR 49 Ca 0.08 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.59 2f8i s THR 49 Cb -0.11 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.83 2f8i s THR 49 CO 0.00 -0.02 0.89 -1.54 -0.54 0.00 0.00 174.62 173.42 2f8i n SER 50 N -1.51 0.07 0.34 3.99 3.41 0.33 -1.28 113.62 118.97 2f8i n SER 50 Ca 0.13 -1.32 0.22 0.00 -0.26 0.00 0.00 58.87 57.64 2f8i n SER 50 Cb 0.47 -0.68 1.16 0.00 -0.26 0.00 0.00 64.21 64.90 2f8i n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f8i h GLU 51 N 0.00 0.00 -0.65 4.33 4.39 -1.94 0.59 114.58 121.30 2f8i h GLU 51 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2f8i h GLU 51 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2f8i h GLU 51 CO 0.20 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.92 2f8i n SER 52 N -3.11 4.06 -0.35 1.42 3.41 -1.26 -4.80 113.62 112.99 2f8i n SER 52 Ca -0.03 -2.15 -0.05 0.00 -0.26 0.00 0.00 58.87 56.39 2f8i n SER 52 Cb 0.11 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 2f8i n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f8i n GLY 53 N 1.32 0.72 3.61 5.00 0.00 0.20 -4.81 105.19 111.23 2f8i n GLY 53 Ca 0.23 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2f8i n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f8i s GLU 54 N -1.94 2.24 -0.15 1.61 2.02 -1.26 -0.68 118.70 120.54 2f8i s GLU 54 Ca 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 54.97 53.85 2f8i s GLU 54 Cb 0.00 -2.30 0.05 0.00 0.10 0.00 0.00 34.13 31.98 2f8i s GLU 54 CO 0.00 0.47 0.03 -1.17 0.02 0.00 0.00 175.26 174.61 2f8i s LEU 55 N -2.67 0.84 0.46 1.80 2.96 0.10 -0.51 118.68 121.65 2f8i s LEU 55 Ca 0.25 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2f8i s LEU 55 Cb -0.10 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.08 2f8i s LEU 55 CO 0.16 -0.27 0.14 -1.00 -1.32 0.00 0.00 176.35 174.05 2f8i s HIS 56 N 1.94 2.25 -0.86 5.38 3.76 -1.26 -1.88 115.29 124.62 2f8i s HIS 56 Ca 0.02 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2f8i s HIS 56 Cb -0.15 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.71 2f8i s HIS 56 CO -0.07 0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.38 2f8i n GLY 57 N -1.27 0.59 0.24 -2.22 0.00 -1.26 -4.91 105.19 96.35 2f8i n GLY 57 Ca -0.06 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 2f8i n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2f8i h LEU 58 N 0.00 0.91 -8.26 0.99 3.38 -1.87 -3.48 115.31 106.99 2f8i h LEU 58 Ca -0.20 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 2f8i h LEU 58 Cb 0.84 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2f8i h LEU 58 CO 0.26 1.29 -0.01 0.28 0.09 0.00 0.00 178.44 180.36 2f8i s THR 59 N -4.05 0.00 0.29 0.22 -1.32 -1.26 -4.78 115.64 104.74 2f8i s THR 59 Ca -0.10 -1.33 0.10 0.00 -1.21 0.00 0.00 61.69 59.15 2f8i s THR 59 Cb 0.10 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 2f8i s THR 59 CO 0.88 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 173.68 2f8i s THR 60 N -3.18 3.09 0.30 5.08 -4.23 -1.26 -4.57 115.64 110.87 2f8i s THR 60 Ca 0.22 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2f8i s THR 60 Cb -0.02 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.37 2f8i s THR 60 CO 0.14 -0.34 1.92 -0.33 -0.54 0.00 0.00 174.62 175.46 2f8i h GLU 61 N 1.93 1.00 -0.64 3.99 5.08 -1.98 -1.46 114.58 122.50 2f8i h GLU 61 Ca -0.43 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 2f8i h GLU 61 Cb 1.25 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 2f8i h GLU 61 CO 0.62 0.66 0.38 1.49 -1.00 0.00 0.00 179.01 181.15 2f8i h GLU 62 N 1.03 0.88 0.00 2.33 4.57 -2.04 -3.10 114.58 118.26 2f8i h GLU 62 Ca 0.38 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.36 2f8i h GLU 62 Cb 0.16 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2f8i h GLU 62 CO -0.14 0.64 -0.67 1.49 -1.18 0.00 0.00 179.01 179.16 2f8i h GLU 63 N 0.88 0.00 -3.11 1.92 4.81 -1.87 -3.39 114.58 113.81 2f8i h GLU 63 Ca 0.23 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.72 2f8i h GLU 63 Cb -0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 2f8i h GLU 63 CO -0.04 0.41 2.47 0.34 -0.73 0.00 0.00 179.01 181.46 2f8i n PHE 64 N -3.13 2.77 -1.62 0.92 7.35 -0.59 -4.97 117.46 118.20 2f8i n PHE 64 Ca -0.00 -2.85 -0.29 0.00 -0.76 0.00 0.00 57.45 53.55 2f8i n PHE 64 Cb 0.74 -2.00 0.12 0.00 0.35 0.00 0.00 39.48 38.68 2f8i n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2f8i s VAL 65 N 0.14 2.12 0.41 -2.13 -7.23 -1.26 -4.96 120.40 107.49 2f8i s VAL 65 Ca 0.49 0.04 -0.27 0.00 -1.81 0.00 0.00 61.98 60.44 2f8i s VAL 65 Cb 0.15 -2.84 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 2f8i s VAL 65 CO -0.05 -0.05 1.44 -0.62 -0.31 0.00 0.00 175.10 175.52 2f8i n GLU 66 N -3.63 2.42 -3.60 4.82 1.02 -1.26 -4.87 120.64 115.53 2f8i n GLU 66 Ca 0.07 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 2f8i n GLU 66 Cb 0.59 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 2f8i n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f8i n GLY 67 N 0.54 -2.13 3.69 0.62 0.00 -1.01 -4.98 105.19 101.92 2f8i n GLY 67 Ca 0.04 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 2f8i n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f8i s ILE 68 N -2.08 5.35 0.15 -0.61 1.01 -1.26 -0.58 121.20 123.18 2f8i s ILE 68 Ca 0.00 0.17 0.11 0.00 0.00 0.00 0.00 60.65 60.93 2f8i s ILE 68 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2f8i s ILE 68 CO 0.00 0.40 -0.26 -0.31 0.00 0.00 0.00 174.94 174.77 2f8i s TYR 69 N 0.70 2.29 -0.11 3.97 2.02 0.31 -0.83 117.35 125.70 2f8i s TYR 69 Ca 0.08 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2f8i s TYR 69 Cb -0.12 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 2f8i s TYR 69 CO 0.01 0.38 -0.14 0.21 -1.57 0.00 0.00 175.55 174.44 2f8i s LYS 70 N -2.24 2.15 -0.31 -0.62 2.20 -0.30 -1.35 119.74 119.27 2f8i s LYS 70 Ca 0.16 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 55.16 2f8i s LYS 70 Cb -0.09 -1.87 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 2f8i s LYS 70 CO 0.07 -0.10 0.11 0.08 -0.36 0.00 0.00 175.35 175.16 2f8i s VAL 71 N 1.09 4.18 -0.22 4.02 1.01 0.74 -0.20 120.40 131.02 2f8i s VAL 71 Ca -0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2f8i s VAL 71 Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2f8i s VAL 71 CO -0.03 0.03 0.07 -0.70 0.00 0.00 0.00 175.10 174.46 2f8i s GLU 72 N 1.53 3.81 -0.21 2.72 2.12 0.17 -0.42 118.70 128.42 2f8i s GLU 72 Ca 0.03 -0.41 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 2f8i s GLU 72 Cb -0.17 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 2f8i s GLU 72 CO 0.04 0.04 -0.04 0.42 -0.54 0.00 0.00 175.26 175.17 2f8i s ILE 73 N 1.01 3.44 -1.34 -3.70 1.01 0.73 -0.78 121.20 121.57 2f8i s ILE 73 Ca 0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 2f8i s ILE 73 Cb -0.14 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.79 2f8i s ILE 73 CO 0.03 0.43 2.08 -0.67 0.00 0.00 0.00 174.94 176.81 2f8i n ASP 74 N 4.60 3.91 0.14 3.58 4.64 -0.02 -1.25 116.55 132.15 2f8i n ASP 74 Ca -0.18 -2.83 0.01 0.00 -1.38 0.00 0.00 54.79 50.41 2f8i n ASP 74 Cb 0.51 -1.62 0.33 0.00 -1.04 0.00 0.00 41.12 39.31 2f8i n ASP 74 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2f8i h THR 75 N 4.46 1.25 -0.20 5.18 1.35 -1.87 -3.17 112.91 119.92 2f8i h THR 75 Ca 0.52 -1.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2f8i h THR 75 Cb 0.70 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 2f8i h THR 75 CO 1.79 0.35 0.07 0.50 -0.25 0.00 0.00 175.52 177.98 2f8i h LYS 76 N 0.12 0.30 -0.91 4.72 3.64 -1.75 -2.16 116.57 120.53 2f8i h LYS 76 Ca 0.02 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2f8i h LYS 76 Cb 0.62 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 2f8i h LYS 76 CO 0.04 0.39 0.59 0.77 -2.27 0.00 0.00 179.45 178.98 2f8i h SER 77 N 0.15 0.94 0.21 4.20 0.02 -1.87 -0.99 113.55 116.22 2f8i h SER 77 Ca 0.06 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2f8i h SER 77 Cb 0.21 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2f8i h SER 77 CO -0.00 0.63 -0.12 0.22 -1.14 0.00 0.00 176.83 176.41 2f8i h TYR 78 N 1.08 -0.31 -0.47 3.45 3.20 -1.43 -2.07 116.97 120.42 2f8i h TYR 78 Ca 0.38 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.12 2f8i h TYR 78 Cb 0.11 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2f8i h TYR 78 CO -0.00 -0.19 -0.21 -1.49 -1.64 0.00 0.00 178.16 174.64 2f8i h TRP 79 N -0.31 1.08 -0.72 -3.82 4.06 -1.19 -2.98 115.95 112.06 2f8i h TRP 79 Ca -0.02 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.66 2f8i h TRP 79 Cb 0.25 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 2f8i h TRP 79 CO -0.08 1.05 0.40 0.87 -3.56 0.00 0.00 178.44 177.12 2f8i h LYS 80 N 0.82 0.99 0.00 0.49 1.57 -1.10 -0.21 116.57 119.14 2f8i h LYS 80 Ca 0.11 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f8i h LYS 80 Cb 0.77 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2f8i h LYS 80 CO 0.06 0.73 -0.00 0.00 -0.57 0.00 0.00 179.45 179.66 2f8i h ALA 81 N 1.44 1.01 -0.12 3.86 0.00 -1.22 -0.81 119.26 123.41 2f8i h ALA 81 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2f8i h ALA 81 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2f8i h ALA 81 CO -0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.49 2f8i n LEU 82 N -3.10 2.12 -0.05 0.00 4.77 -0.16 -4.93 117.00 115.64 2f8i n LEU 82 Ca -0.01 -0.80 -0.01 0.00 -0.03 0.00 0.00 56.01 55.16 2f8i n LEU 82 Cb 0.21 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2f8i n LEU 82 CO 0.24 0.40 -0.01 0.61 -1.33 0.00 0.00 177.39 177.31 2f8i n GLY 83 N 1.24 0.39 3.18 -0.72 0.00 -0.31 -5.04 105.19 103.93 2f8i n GLY 83 Ca 0.17 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2f8i n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f8i s ILE 84 N -2.02 2.27 -0.50 -0.61 1.01 -0.75 -5.02 121.20 115.58 2f8i s ILE 84 Ca 0.00 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 2f8i s ILE 84 Cb 0.00 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.56 2f8i s ILE 84 CO 0.00 0.53 1.08 -0.55 0.00 0.00 0.00 174.94 176.00 2f8i s SER 85 N 1.02 6.54 0.55 3.58 0.15 -1.26 -3.14 113.70 121.15 2f8i s SER 85 Ca -0.02 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.89 2f8i s SER 85 Cb -0.15 -2.52 0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2f8i s SER 85 CO -0.06 -1.24 0.77 -2.16 1.20 0.00 0.00 173.24 171.75 2f8i s PRO 86 N 4.33 2.50 -0.15 5.44 0.04 -1.26 -4.98 135.00 140.93 2f8i s PRO 86 Ca 0.43 -0.85 -0.27 0.00 0.04 0.00 0.00 61.00 60.35 2f8i s PRO 86 Cb -0.08 -2.50 -0.25 0.00 0.04 0.00 0.00 34.50 31.70 2f8i s PRO 86 CO 0.28 -0.73 0.67 0.35 0.04 0.00 0.00 177.00 177.61 2f8i h PHE 87 N 0.08 0.05 -3.67 0.56 3.04 -1.43 -3.48 116.94 112.08 2f8i h PHE 87 Ca -0.41 -0.03 -0.50 0.00 3.98 0.00 0.00 57.97 61.00 2f8i h PHE 87 Cb 1.29 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.77 2f8i h PHE 87 CO 0.34 1.13 0.11 -1.01 -2.02 0.00 0.00 178.31 176.86 2f8i s HIS 88 N -2.27 3.48 0.25 0.41 0.09 -1.26 -4.97 115.29 111.03 2f8i s HIS 88 Ca -0.21 1.30 0.05 0.00 -0.00 0.00 0.00 55.06 56.20 2f8i s HIS 88 Cb -0.01 -2.58 0.31 0.00 -0.00 0.00 0.00 32.58 30.30 2f8i s HIS 88 CO 0.68 0.19 1.61 0.93 -0.00 0.00 0.00 174.74 178.14 2f8i h GLU 89 N 2.72 0.26 -2.30 1.40 4.39 -1.98 -3.38 114.58 115.68 2f8i h GLU 89 Ca -0.48 -0.16 0.22 0.00 0.34 0.00 0.00 59.36 59.29 2f8i h GLU 89 Cb 1.18 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 2f8i h GLU 89 CO 0.65 0.73 0.67 -3.38 -1.16 0.00 0.00 179.01 176.52 2f8i s HIS 90 N -3.91 0.03 -0.11 4.33 -3.43 -1.26 -3.96 115.29 106.98 2f8i s HIS 90 Ca -0.04 -0.32 0.02 0.00 -0.80 0.00 0.00 55.06 53.92 2f8i s HIS 90 Cb 0.12 0.65 -0.01 0.00 -1.43 0.00 0.00 32.58 31.91 2f8i s HIS 90 CO 0.79 -0.69 -0.18 0.00 -2.00 0.00 0.00 174.74 172.65 2f8i s ALA 91 N -2.29 2.41 -0.07 -1.38 0.00 -0.38 -4.88 121.76 115.17 2f8i s ALA 91 Ca 0.22 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2f8i s ALA 91 Cb -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2f8i s ALA 91 CO 0.03 0.30 -0.24 -2.00 0.00 0.00 0.00 175.76 173.84 2f8i s GLU 92 N 0.25 2.70 -0.17 0.00 2.12 -1.26 -0.20 118.70 122.14 2f8i s GLU 92 Ca -0.12 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.32 2f8i s GLU 92 Cb -0.16 -2.22 0.03 0.00 0.26 0.00 0.00 34.13 32.05 2f8i s GLU 92 CO 0.07 0.33 -0.11 0.08 -0.54 0.00 0.00 175.26 175.09 2f8i s VAL 93 N -0.04 1.52 -0.11 3.70 1.01 0.44 -4.96 120.40 121.96 2f8i s VAL 93 Ca -0.07 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2f8i s VAL 93 Cb -0.15 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 2f8i s VAL 93 CO 0.05 0.28 -0.23 -0.69 0.00 0.00 0.00 175.10 174.51 2f8i s VAL 94 N 1.48 2.13 0.12 2.92 1.01 -1.26 -0.19 120.40 126.61 2f8i s VAL 94 Ca 0.02 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 2f8i s VAL 94 Cb -0.15 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.47 2f8i s VAL 94 CO -0.09 0.56 0.51 0.72 0.00 0.00 0.00 175.10 176.80 2f8i s PHE 95 N 0.38 -0.40 -0.15 5.22 -0.71 -0.45 -5.00 117.98 116.87 2f8i s PHE 95 Ca -0.18 0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 55.77 2f8i s PHE 95 Cb -0.18 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 2f8i s PHE 95 CO 0.08 -0.75 0.37 0.99 -1.34 0.00 0.00 175.22 174.57 2f8i s THR 96 N -3.45 5.26 -0.27 -4.49 2.01 -1.26 -0.53 115.64 112.91 2f8i s THR 96 Ca 0.00 0.71 -0.21 0.00 0.31 0.00 0.00 61.69 62.50 2f8i s THR 96 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2f8i s THR 96 CO -0.10 0.35 0.68 0.00 -0.69 0.00 0.00 174.62 174.86 2f8i s ALA 97 N 0.60 3.60 -0.32 7.40 0.00 0.25 -4.97 121.76 128.32 2f8i s ALA 97 Ca 0.20 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2f8i s ALA 97 Cb -0.14 -3.11 0.10 0.00 0.00 0.00 0.00 23.12 19.97 2f8i s ALA 97 CO 0.06 -0.91 0.07 -0.80 0.00 0.00 0.00 175.76 174.19 2f8i s ASN 98 N 1.49 4.28 -0.11 0.00 0.01 -1.26 -2.40 114.94 116.95 2f8i s ASN 98 Ca 0.28 -1.80 -0.10 0.00 -0.71 0.00 0.00 52.86 50.52 2f8i s ASN 98 Cb -0.15 -1.15 -0.04 0.00 0.41 0.00 0.00 41.25 40.31 2f8i s ASN 98 CO 0.09 -0.40 0.46 0.47 -1.51 0.00 0.00 177.10 176.21 2f8i n ASP 99 N 4.63 0.20 -4.72 -1.22 9.92 -1.26 -5.11 116.55 118.98 2f8i n ASP 99 Ca -0.00 0.19 -0.42 0.00 -0.53 0.00 0.00 54.79 54.02 2f8i n ASP 99 Cb 0.42 -0.20 -0.03 0.00 -0.64 0.00 0.00 41.12 40.67 2f8i n ASP 99 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2f8i s ARG 104 N 1.19 4.14 -0.19 -1.24 0.52 0.28 -5.18 118.95 118.48 2f8i s ARG 104 Ca 0.27 2.56 -0.03 0.00 -0.52 0.00 0.00 55.73 58.00 2f8i s ARG 104 Cb -0.34 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 2f8i s ARG 104 CO 0.16 -0.70 -0.06 0.71 0.02 0.00 0.00 175.30 175.43 2f8i s TYR 105 N 0.98 2.94 -0.20 -0.53 1.51 0.67 -1.56 117.35 121.16 2f8i s TYR 105 Ca 0.72 -0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2f8i s TYR 105 Cb -0.48 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 2f8i s TYR 105 CO 0.34 -0.40 -0.06 0.99 -1.11 0.00 0.00 175.55 175.31 2f8i s THR 106 N 1.09 3.31 -0.36 -0.71 2.01 0.06 -1.16 115.64 119.89 2f8i s THR 106 Ca 0.01 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 2f8i s THR 106 Cb -0.15 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.90 2f8i s THR 106 CO -0.01 0.45 0.20 -0.63 -0.69 0.00 0.00 174.62 173.95 2f8i s ILE 107 N 1.17 4.72 -0.02 1.82 -1.09 -0.26 -0.80 121.20 126.74 2f8i s ILE 107 Ca 0.02 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 2f8i s ILE 107 Cb -0.14 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 2f8i s ILE 107 CO -0.02 -0.13 0.02 0.00 -1.23 0.00 0.00 174.94 173.58 2f8i s ALA 108 N 1.60 3.36 -0.01 9.38 0.00 -0.32 -1.38 121.76 134.39 2f8i s ALA 108 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2f8i s ALA 108 Cb -0.18 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2f8i s ALA 108 CO 0.07 0.64 -0.01 0.00 0.00 0.00 0.00 175.76 176.47 2f8i s ALA 109 N -1.07 0.13 -0.17 0.00 0.00 0.05 -1.42 121.76 119.28 2f8i s ALA 109 Ca 0.19 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.18 2f8i s ALA 109 Cb -0.12 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2f8i s ALA 109 CO 0.09 -0.00 -0.18 -1.17 0.00 0.00 0.00 175.76 174.50 2f8i s LEU 110 N 0.24 2.27 -0.07 0.00 2.96 0.21 -1.03 118.68 123.26 2f8i s LEU 110 Ca -0.02 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2f8i s LEU 110 Cb -0.04 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2f8i s LEU 110 CO -0.01 0.04 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.21 2f8i s LEU 111 N 1.05 2.99 0.15 -0.68 1.43 -0.14 -1.42 118.68 122.06 2f8i s LEU 111 Ca -0.01 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2f8i s LEU 111 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2f8i s LEU 111 CO -0.06 0.34 -0.02 -0.44 0.23 0.00 0.00 176.35 176.41 2f8i s SER 112 N -0.69 1.12 0.37 2.29 0.01 0.37 -0.83 113.70 116.35 2f8i s SER 112 Ca 0.10 -1.12 0.09 0.00 1.31 0.00 0.00 55.95 56.33 2f8i s SER 112 Cb -0.11 0.12 0.84 0.00 0.21 0.00 0.00 66.02 67.08 2f8i s SER 112 CO 0.01 -0.55 1.91 -0.65 0.41 0.00 0.00 173.24 174.37 2f8i h PRO 113 N 2.79 0.64 -0.20 12.44 0.11 -2.00 -2.87 132.00 142.91 2f8i h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2f8i h PRO 113 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2f8i h PRO 113 CO 0.63 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 2f8i n TYR 114 N -4.52 0.38 -3.68 0.65 4.02 -1.26 -1.03 117.16 111.72 2f8i n TYR 114 Ca 0.15 -0.62 -0.15 0.00 -0.01 0.00 0.00 57.90 57.27 2f8i n TYR 114 Cb 0.41 -0.10 -0.08 0.00 -0.02 0.00 0.00 39.34 39.55 2f8i n TYR 114 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2f8i s SER 115 N -1.35 -0.35 0.04 7.72 0.01 -1.08 -4.96 113.70 113.73 2f8i s SER 115 Ca 0.21 0.29 -0.10 0.00 1.31 0.00 0.00 55.95 57.66 2f8i s SER 115 Cb 0.14 0.39 0.01 0.00 0.21 0.00 0.00 66.02 66.77 2f8i s SER 115 CO 0.09 -0.50 0.22 -0.72 0.41 0.00 0.00 173.24 172.74 2f8i s TYR 116 N -1.29 0.02 0.06 2.43 -0.85 -1.26 -0.48 117.35 115.97 2f8i s TYR 116 Ca -0.13 -0.23 0.07 0.00 -0.52 0.00 0.00 57.07 56.26 2f8i s TYR 116 Cb -0.03 -0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.28 2f8i s TYR 116 CO 0.06 -0.45 -0.19 0.45 -1.52 0.00 0.00 175.55 173.90 2f8i s SER 117 N -2.10 2.25 0.01 -0.18 0.15 -0.51 -4.98 113.70 108.34 2f8i s SER 117 Ca -0.05 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2f8i s SER 117 Cb -0.01 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 2f8i s SER 117 CO -0.04 0.09 -0.02 0.28 1.20 0.00 0.00 173.24 174.75 2f8i s THR 118 N -0.92 0.11 0.09 6.45 -1.32 -1.26 -0.62 115.64 118.16 2f8i s THR 118 Ca 0.05 -0.31 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 2f8i s THR 118 Cb -0.09 -0.15 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 2f8i s THR 118 CO 0.02 -0.13 -0.07 0.28 -2.21 0.00 0.00 174.62 172.51 2f8i s THR 119 N -0.45 0.68 -0.13 5.08 -1.32 -0.51 -5.00 115.64 114.00 2f8i s THR 119 Ca -0.04 -1.72 -0.02 0.00 -1.21 0.00 0.00 61.69 58.70 2f8i s THR 119 Cb -0.03 -1.42 -0.02 0.00 -1.51 0.00 0.00 72.50 69.51 2f8i s THR 119 CO -0.00 -0.74 -0.07 0.00 -2.21 0.00 0.00 174.62 171.60 2f8i s ALA 120 N -3.03 2.90 -0.27 11.08 0.00 -1.26 -1.17 121.76 130.01 2f8i s ALA 120 Ca 0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2f8i s ALA 120 Cb 0.01 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.78 2f8i s ALA 120 CO -0.03 0.31 -0.05 0.08 0.00 0.00 0.00 175.76 176.07 2f8i s VAL 121 N 0.08 2.75 -0.30 0.00 1.01 0.02 -4.98 120.40 118.97 2f8i s VAL 121 Ca -0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 2f8i s VAL 121 Cb -0.14 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.77 2f8i s VAL 121 CO 0.03 0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.44 2f8i s VAL 122 N 1.24 2.86 0.00 2.92 1.01 -1.26 -0.76 120.40 126.41 2f8i s VAL 122 Ca -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2f8i s VAL 122 Cb -0.19 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2f8i s VAL 122 CO -0.03 -0.14 0.24 0.35 0.00 0.00 0.00 175.10 175.52