#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f86 n PRO 11 N 0.00 0.68 -3.67 0.00 -0.04 -1.26 -4.70 135.00 126.00 1f86 n PRO 11 Ca 0.00 -0.26 -0.19 0.00 -0.04 0.00 0.00 63.50 63.01 1f86 n PRO 11 Cb 0.00 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1f86 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1f86 s LEU 12 N -2.50 0.12 0.03 1.53 2.96 -1.26 -0.85 118.68 118.71 1f86 s LEU 12 Ca 0.28 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 1f86 s LEU 12 Cb 0.20 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.83 1f86 s LEU 12 CO 0.49 -0.24 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.09 1f86 s MET 13 N 2.16 0.99 -0.05 1.98 -1.94 -0.15 -4.43 119.30 117.86 1f86 s MET 13 Ca 0.04 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.39 1f86 s MET 13 Cb -0.12 -0.98 -0.01 0.00 2.01 0.00 0.00 34.83 35.73 1f86 s MET 13 CO -0.04 0.25 -0.21 0.08 -0.01 0.00 0.00 175.02 175.09 1f86 s VAL 14 N -0.70 1.75 -0.06 -6.03 1.01 -0.69 -0.66 120.40 115.03 1f86 s VAL 14 Ca 0.03 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1f86 s VAL 14 Cb -0.07 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1f86 s VAL 14 CO 0.01 0.49 -0.10 -0.75 0.00 0.00 0.00 175.10 174.75 1f86 s LYS 15 N -0.12 1.47 -0.06 2.72 2.20 -0.21 -0.56 119.74 125.19 1f86 s LYS 15 Ca -0.02 -0.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.27 1f86 s LYS 15 Cb -0.12 -1.25 0.02 0.00 -1.51 0.00 0.00 37.83 34.96 1f86 s LYS 15 CO 0.03 -0.00 -0.09 0.08 -0.36 0.00 0.00 175.35 175.00 1f86 s VAL 16 N 0.72 0.90 0.14 4.02 1.01 -0.09 -1.00 120.40 126.10 1f86 s VAL 16 Ca -0.14 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1f86 s VAL 16 Cb -0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1f86 s VAL 16 CO 0.03 0.30 -0.27 -0.76 0.00 0.00 0.00 175.10 174.41 1f86 s LEU 17 N 0.77 2.33 -0.35 3.92 1.43 -0.28 -0.82 118.68 125.68 1f86 s LEU 17 Ca -0.13 -0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 52.13 1f86 s LEU 17 Cb -0.15 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.90 1f86 s LEU 17 CO 0.02 0.17 0.13 -0.62 0.23 0.00 0.00 176.35 176.29 1f86 s ASP 18 N -2.13 5.42 0.06 2.29 -1.08 0.15 -0.73 116.67 120.67 1f86 s ASP 18 Ca 0.15 -1.12 0.26 0.00 -0.52 0.00 0.00 52.55 51.32 1f86 s ASP 18 Cb -0.10 -1.91 1.04 0.00 -1.46 0.00 0.00 42.92 40.49 1f86 s ASP 18 CO 0.06 -0.35 1.81 0.00 0.52 0.00 0.00 175.17 177.22 1f86 n ALA 19 N 4.86 2.18 0.05 3.66 0.00 -0.19 -1.02 120.51 130.05 1f86 n ALA 19 Ca -0.12 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 1f86 n ALA 19 Cb 0.45 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1f86 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1f86 h VAL 20 N 0.00 1.50 0.00 0.00 2.07 -1.94 -3.38 116.25 114.49 1f86 h VAL 20 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1f86 h VAL 20 Cb 0.51 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1f86 h VAL 20 CO 0.00 0.72 -1.35 0.54 0.02 0.00 0.00 177.57 177.50 1f86 n ARG 21 N -4.11 0.62 -2.88 1.57 1.74 -1.20 -4.99 116.66 107.41 1f86 n ARG 21 Ca -0.14 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.84 1f86 n ARG 21 Cb 0.83 -1.71 0.04 0.00 -1.02 0.00 0.00 32.46 30.60 1f86 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f86 n GLY 22 N 1.21 0.10 3.39 -0.13 0.00 -0.19 -5.03 105.19 104.53 1f86 n GLY 22 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1f86 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f86 s SER 23 N -3.46 -0.02 0.61 1.61 0.01 -1.11 -5.02 113.70 106.31 1f86 s SER 23 Ca 0.14 -0.81 -0.19 0.00 1.31 0.00 0.00 55.95 56.40 1f86 s SER 23 Cb -0.06 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 1f86 s SER 23 CO 0.38 -0.94 1.04 -0.81 0.41 0.00 0.00 173.24 173.32 1f86 n PRO 24 N -0.25 0.97 -3.21 12.44 -0.04 -1.26 -0.67 135.00 142.98 1f86 n PRO 24 Ca -0.07 0.38 -0.44 0.00 -0.04 0.00 0.00 63.50 63.33 1f86 n PRO 24 Cb 0.63 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 1f86 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f86 s ALA 25 N -1.48 3.41 0.12 0.55 0.00 -0.00 -4.53 121.76 119.84 1f86 s ALA 25 Ca 0.77 -1.69 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1f86 s ALA 25 Cb -0.41 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 1f86 s ALA 25 CO 0.46 -1.87 0.47 0.42 0.00 0.00 0.00 175.76 175.24 1f86 s ILE 26 N 2.43 4.99 -1.28 0.00 1.01 -1.26 -4.32 121.20 122.76 1f86 s ILE 26 Ca 0.14 0.59 -0.06 0.00 0.00 0.00 0.00 60.65 61.32 1f86 s ILE 26 Cb -0.19 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1f86 s ILE 26 CO 0.12 0.23 0.75 0.59 0.00 0.00 0.00 174.94 176.63 1f86 n ASN 27 N 0.74 -5.68 -4.66 3.58 3.02 -0.48 -4.94 115.26 106.83 1f86 n ASN 27 Ca -0.06 -0.34 -0.40 0.00 -0.03 0.00 0.00 54.58 53.75 1f86 n ASN 27 Cb 0.52 -4.42 -0.06 0.00 -0.61 0.00 0.00 39.78 35.21 1f86 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1f86 s VAL 28 N -3.18 5.02 0.29 2.41 1.01 -1.26 -4.76 120.40 119.93 1f86 s VAL 28 Ca 0.37 1.20 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 1f86 s VAL 28 Cb -0.16 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1f86 s VAL 28 CO 0.46 0.11 1.06 0.00 0.00 0.00 0.00 175.10 176.74 1f86 s ALA 29 N 1.88 3.36 -0.04 5.51 0.00 -1.26 -1.10 121.76 130.10 1f86 s ALA 29 Ca 0.29 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1f86 s ALA 29 Cb -0.16 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1f86 s ALA 29 CO 0.11 -0.10 -0.02 0.08 0.00 0.00 0.00 175.76 175.82 1f86 s VAL 30 N -1.23 0.40 -0.08 0.00 1.01 -0.19 -0.73 120.40 119.58 1f86 s VAL 30 Ca 0.45 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1f86 s VAL 30 Cb -0.30 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1f86 s VAL 30 CO 0.38 0.21 -0.24 -1.00 0.00 0.00 0.00 175.10 174.45 1f86 s HIS 31 N 1.13 2.47 -0.10 5.22 3.76 -0.15 -1.29 115.29 126.32 1f86 s HIS 31 Ca -0.08 -0.91 -0.00 0.00 -0.15 0.00 0.00 55.06 53.92 1f86 s HIS 31 Cb -0.14 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 1f86 s HIS 31 CO -0.01 -0.34 -0.08 0.08 -0.85 0.00 0.00 174.74 173.54 1f86 s VAL 32 N 0.16 3.53 0.19 -0.90 1.01 0.12 -0.16 120.40 124.34 1f86 s VAL 32 Ca -0.13 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1f86 s VAL 32 Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1f86 s VAL 32 CO 0.07 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.16 1f86 s PHE 33 N -0.29 2.03 -0.05 5.22 0.40 0.20 -0.56 117.98 124.94 1f86 s PHE 33 Ca 0.04 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1f86 s PHE 33 Cb -0.13 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.43 1f86 s PHE 33 CO 0.03 0.43 -0.08 0.50 0.70 0.00 0.00 175.22 176.80 1f86 s ARG 34 N -2.87 1.11 0.09 0.44 3.52 -0.14 -0.65 118.95 120.45 1f86 s ARG 34 Ca 0.19 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.24 1f86 s ARG 34 Cb -0.06 -1.01 -0.07 0.00 -1.56 0.00 0.00 34.95 32.25 1f86 s ARG 34 CO 0.09 -0.00 1.38 0.21 -0.81 0.00 0.00 175.30 176.16 1f86 s LYS 35 N 0.65 4.32 0.73 5.12 2.20 0.31 -1.57 119.74 131.50 1f86 s LYS 35 Ca -0.11 2.03 -0.04 0.00 -0.36 0.00 0.00 55.97 57.50 1f86 s LYS 35 Cb -0.13 -3.31 0.11 0.00 -1.51 0.00 0.00 37.83 32.99 1f86 s LYS 35 CO 0.01 -0.45 1.01 0.00 -0.36 0.00 0.00 175.35 175.57 1f86 s ALA 36 N 1.32 3.41 0.51 3.13 0.00 -0.22 -4.71 121.76 125.20 1f86 s ALA 36 Ca 0.64 -1.44 0.24 0.00 0.00 0.00 0.00 51.96 51.41 1f86 s ALA 36 Cb -0.35 -2.25 1.51 0.00 0.00 0.00 0.00 23.12 22.03 1f86 s ALA 36 CO 0.30 -1.47 2.15 0.00 0.00 0.00 0.00 175.76 176.74 1f86 h ALA 37 N -0.62 1.57 -0.52 0.00 0.00 -1.94 0.71 119.26 118.46 1f86 h ALA 37 Ca -0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1f86 h ALA 37 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1f86 h ALA 37 CO 0.46 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 1f86 n ASP 38 N -3.99 4.33 -0.05 0.00 3.85 -1.26 -4.92 116.55 114.52 1f86 n ASP 38 Ca -0.03 -2.50 -0.01 0.00 -0.71 0.00 0.00 54.79 51.55 1f86 n ASP 38 Cb 0.15 -0.57 -0.00 0.00 -1.35 0.00 0.00 41.12 39.35 1f86 n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1f86 n ASP 39 N 0.79 -3.36 -4.98 -1.12 4.64 0.24 -5.04 116.55 107.72 1f86 n ASP 39 Ca 0.22 0.02 -0.19 0.00 -1.38 0.00 0.00 54.79 53.46 1f86 n ASP 39 Cb 0.85 -0.92 -0.01 0.00 -1.04 0.00 0.00 41.12 40.00 1f86 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1f86 s THR 40 N -1.93 3.83 -0.40 5.18 -4.23 -1.26 -4.79 115.64 112.04 1f86 s THR 40 Ca 0.00 -1.04 -0.24 0.00 -1.18 0.00 0.00 61.69 59.23 1f86 s THR 40 Cb 0.00 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.54 1f86 s THR 40 CO 0.00 -0.13 0.85 0.26 -0.54 0.00 0.00 174.62 175.06 1f86 s TRP 41 N -2.22 3.04 -0.09 3.99 0.52 -1.26 -1.06 118.94 121.86 1f86 s TRP 41 Ca 0.46 0.52 -0.14 0.00 0.02 0.00 0.00 56.10 56.96 1f86 s TRP 41 Cb -0.09 -3.63 -0.05 0.00 -1.15 0.00 0.00 33.47 28.56 1f86 s TRP 41 CO 0.31 -0.87 0.34 -1.21 0.02 0.00 0.00 176.95 175.54 1f86 s GLU 42 N 3.37 4.06 0.26 4.98 2.02 -0.61 -4.85 118.70 127.92 1f86 s GLU 42 Ca 0.34 0.23 -0.31 0.00 0.02 0.00 0.00 54.97 55.26 1f86 s GLU 42 Cb -0.12 -3.33 -0.12 0.00 0.10 0.00 0.00 34.13 30.66 1f86 s GLU 42 CO 0.20 0.44 1.64 -2.30 0.02 0.00 0.00 175.26 175.27 1f86 n PRO 43 N 2.81 2.72 -0.02 0.39 -0.02 -1.26 -0.97 135.00 138.66 1f86 n PRO 43 Ca -0.13 0.97 -0.03 0.00 -2.02 0.00 0.00 63.50 62.30 1f86 n PRO 43 Cb 0.52 -2.78 -0.01 0.00 -0.02 0.00 0.00 33.50 31.21 1f86 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1f86 n PHE 44 N 2.81 0.00 -3.48 6.00 7.35 0.28 -4.81 117.46 125.61 1f86 n PHE 44 Ca 0.11 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.70 1f86 n PHE 44 Cb 0.36 -0.11 -0.02 0.00 0.35 0.00 0.00 39.48 40.05 1f86 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1f86 s ALA 45 N -2.06 -1.76 0.19 3.13 0.00 -0.94 -5.00 121.76 115.33 1f86 s ALA 45 Ca -0.04 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 1f86 s ALA 45 Cb 0.01 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1f86 s ALA 45 CO 0.06 -0.67 0.43 -1.54 0.00 0.00 0.00 175.76 174.03 1f86 s SER 46 N -2.40 -0.13 0.00 0.00 1.04 -1.26 0.11 113.70 111.06 1f86 s SER 46 Ca 0.02 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1f86 s SER 46 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1f86 s SER 46 CO -0.08 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1f86 n GLY 47 N -0.29 0.68 3.01 7.32 0.00 -0.41 -4.95 105.19 110.54 1f86 n GLY 47 Ca -0.08 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1f86 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f86 s LYS 48 N -1.66 0.38 0.45 1.61 -2.85 -1.26 -1.02 119.74 115.39 1f86 s LYS 48 Ca 0.00 -0.74 -0.23 0.00 -1.00 0.00 0.00 55.97 54.00 1f86 s LYS 48 Cb 0.00 0.10 -0.08 0.00 -2.06 0.00 0.00 37.83 35.79 1f86 s LYS 48 CO 0.00 -0.05 1.17 0.95 0.10 0.00 0.00 175.35 177.51 1f86 s THR 49 N -1.93 3.11 0.38 3.79 -4.23 -0.26 -4.70 115.64 111.81 1f86 s THR 49 Ca -0.11 0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1f86 s THR 49 Cb -0.07 -3.44 0.09 0.00 1.34 0.00 0.00 72.50 70.42 1f86 s THR 49 CO -0.03 0.01 0.49 -1.54 -0.54 0.00 0.00 174.62 173.01 1f86 n SER 50 N -0.37 -0.17 0.30 3.99 3.41 -0.05 -1.38 113.62 119.36 1f86 n SER 50 Ca 0.07 -1.12 0.20 0.00 -0.26 0.00 0.00 58.87 57.76 1f86 n SER 50 Cb 0.48 -0.38 1.01 0.00 -0.26 0.00 0.00 64.21 65.05 1f86 n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1f86 h GLU 51 N 0.00 0.00 -0.41 4.33 9.09 -1.94 -0.17 114.58 125.48 1f86 h GLU 51 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.25 1f86 h GLU 51 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1f86 h GLU 51 CO 0.11 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 178.04 1f86 n SER 52 N -2.97 2.87 -0.03 3.06 3.41 -1.26 -4.80 113.62 113.91 1f86 n SER 52 Ca -0.02 -1.93 -0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1f86 n SER 52 Cb 0.13 -0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1f86 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f86 n GLY 53 N 1.38 0.47 3.63 5.00 0.00 -0.07 -4.78 105.19 110.81 1f86 n GLY 53 Ca 0.18 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1f86 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f86 s GLU 54 N -0.63 2.30 -0.19 1.61 2.02 -1.26 -0.92 118.70 121.63 1f86 s GLU 54 Ca 0.00 -1.06 -0.02 0.00 0.02 0.00 0.00 54.97 53.90 1f86 s GLU 54 Cb 0.00 -2.34 0.06 0.00 0.10 0.00 0.00 34.13 31.95 1f86 s GLU 54 CO 0.00 0.48 0.03 -1.17 0.02 0.00 0.00 175.26 174.62 1f86 s LEU 55 N -2.61 1.29 0.33 1.80 2.96 0.28 -0.87 118.68 121.86 1f86 s LEU 55 Ca 0.25 -0.83 0.08 0.00 -0.22 0.00 0.00 54.13 53.41 1f86 s LEU 55 Cb -0.10 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 1f86 s LEU 55 CO 0.17 -0.29 0.17 -1.00 -1.32 0.00 0.00 176.35 174.07 1f86 s HIS 56 N 1.82 2.76 0.00 5.38 3.76 -1.26 -1.71 115.29 126.04 1f86 s HIS 56 Ca -0.01 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1f86 s HIS 56 Cb -0.17 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1f86 s HIS 56 CO -0.08 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.54 1f86 n GLY 57 N -1.19 0.60 0.30 -2.22 0.00 -1.26 -4.92 105.19 96.50 1f86 n GLY 57 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1f86 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1f86 h LEU 58 N 0.00 0.99 0.00 0.99 3.38 -1.87 -3.47 115.31 115.33 1f86 h LEU 58 Ca 0.00 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1f86 h LEU 58 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1f86 h LEU 58 CO 0.00 0.98 -0.03 1.07 0.09 0.00 0.00 178.44 180.55 1f86 n THR 59 N -4.29 0.00 -4.38 0.22 5.66 -1.26 -4.78 114.28 105.45 1f86 n THR 59 Ca 0.04 -0.89 -0.21 0.00 -3.05 0.00 0.00 64.05 59.94 1f86 n THR 59 Cb 0.27 0.59 -0.10 0.00 -1.55 0.00 0.00 70.33 69.54 1f86 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1f86 s THR 60 N -2.62 1.98 0.39 1.09 -4.23 -1.26 -4.63 115.64 106.36 1f86 s THR 60 Ca 0.15 -2.23 0.07 0.00 -1.18 0.00 0.00 61.69 58.49 1f86 s THR 60 Cb -0.01 -2.10 0.22 0.00 1.34 0.00 0.00 72.50 71.95 1f86 s THR 60 CO 0.10 -0.50 1.99 -0.33 -0.54 0.00 0.00 174.62 175.34 1f86 h GLU 61 N 2.57 0.48 -0.43 3.99 4.39 -1.98 -1.38 114.58 122.21 1f86 h GLU 61 Ca -0.39 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.18 1f86 h GLU 61 Cb 1.23 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1f86 h GLU 61 CO 0.60 0.41 0.02 0.93 -1.16 0.00 0.00 179.01 179.81 1f86 h GLU 62 N 0.48 0.75 0.00 2.33 5.08 -2.04 -3.22 114.58 117.97 1f86 h GLU 62 Ca 0.12 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1f86 h GLU 62 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1f86 h GLU 62 CO -0.01 0.81 -0.52 1.49 -1.00 0.00 0.00 179.01 179.78 1f86 h GLU 63 N 0.60 0.00 -4.01 2.33 4.81 -1.87 -3.39 114.58 113.05 1f86 h GLU 63 Ca 0.12 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.62 1f86 h GLU 63 Cb 0.46 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.72 1f86 h GLU 63 CO 0.02 0.52 2.23 0.34 -0.73 0.00 0.00 179.01 181.39 1f86 n PHE 64 N -3.26 3.54 -1.73 0.92 7.35 -0.56 -4.95 117.46 118.77 1f86 n PHE 64 Ca 0.02 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.49 1f86 n PHE 64 Cb 0.72 -2.20 0.15 0.00 0.35 0.00 0.00 39.48 38.50 1f86 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1f86 s VAL 65 N 1.61 1.96 0.60 -2.13 -7.23 -1.26 -4.94 120.40 109.00 1f86 s VAL 65 Ca 0.43 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 60.42 1f86 s VAL 65 Cb 0.08 -2.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 1f86 s VAL 65 CO -0.01 0.00 0.96 1.21 -0.31 0.00 0.00 175.10 176.95 1f86 n GLU 66 N -3.74 0.91 -3.79 4.82 0.00 -1.26 -4.80 120.64 112.77 1f86 n GLU 66 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.62 1f86 n GLU 66 Cb 0.60 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 29.88 1f86 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1f86 n GLY 67 N 1.29 -2.40 3.60 8.31 0.00 -1.13 -5.00 105.19 109.86 1f86 n GLY 67 Ca 0.13 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1f86 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f86 s ILE 68 N -2.14 5.29 0.09 -0.61 1.01 -1.26 -0.66 121.20 122.93 1f86 s ILE 68 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.96 1f86 s ILE 68 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1f86 s ILE 68 CO 0.00 0.24 -0.14 -0.31 0.00 0.00 0.00 174.94 174.73 1f86 s TYR 69 N 1.76 2.64 -0.15 3.97 1.51 0.11 -0.53 117.35 126.66 1f86 s TYR 69 Ca 0.08 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1f86 s TYR 69 Cb -0.16 -1.41 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1f86 s TYR 69 CO 0.10 0.38 -0.13 0.21 -1.11 0.00 0.00 175.55 175.00 1f86 s LYS 70 N -2.02 2.20 -0.32 -0.62 2.20 0.18 -1.14 119.74 120.22 1f86 s LYS 70 Ca 0.19 -0.57 -0.12 0.00 -0.36 0.00 0.00 55.97 55.11 1f86 s LYS 70 Cb -0.11 -2.11 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1f86 s LYS 70 CO 0.11 -0.26 0.21 0.08 -0.36 0.00 0.00 175.35 175.12 1f86 s VAL 71 N 1.49 5.11 -0.26 4.02 1.01 0.59 -0.63 120.40 131.74 1f86 s VAL 71 Ca 0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1f86 s VAL 71 Cb -0.13 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1f86 s VAL 71 CO -0.10 0.06 0.08 -1.61 0.00 0.00 0.00 175.10 173.53 1f86 s GLU 72 N 1.70 3.53 -0.26 2.72 2.02 0.77 -1.00 118.70 128.19 1f86 s GLU 72 Ca 0.06 -0.57 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 1f86 s GLU 72 Cb -0.17 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1f86 s GLU 72 CO 0.09 -0.26 0.12 0.42 0.02 0.00 0.00 175.26 175.66 1f86 s ILE 73 N 1.60 4.80 -1.32 -1.63 1.01 0.37 -0.98 121.20 125.04 1f86 s ILE 73 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 1f86 s ILE 73 Cb -0.16 -3.26 0.12 0.00 0.01 0.00 0.00 42.46 39.18 1f86 s ILE 73 CO 0.04 0.31 1.87 -0.67 0.00 0.00 0.00 174.94 176.49 1f86 n ASP 74 N 4.87 4.78 -0.01 3.58 4.64 0.09 -1.30 116.55 133.19 1f86 n ASP 74 Ca -0.15 -2.99 -0.07 0.00 -1.38 0.00 0.00 54.79 50.20 1f86 n ASP 74 Cb 0.52 -1.58 0.11 0.00 -1.04 0.00 0.00 41.12 39.12 1f86 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1f86 h THR 75 N 4.22 1.30 -0.59 5.18 1.35 -1.86 -2.68 112.91 119.81 1f86 h THR 75 Ca 0.43 -1.55 -0.07 0.00 -0.55 0.00 0.00 66.41 64.67 1f86 h THR 75 Cb 0.71 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 1f86 h THR 75 CO 1.60 0.49 0.09 0.50 -0.25 0.00 0.00 175.52 177.95 1f86 h LYS 76 N 0.47 0.99 -0.21 4.72 3.64 -1.65 -1.00 116.57 123.54 1f86 h LYS 76 Ca 0.04 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 1f86 h LYS 76 Cb 0.89 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1f86 h LYS 76 CO 0.08 0.94 -0.20 0.77 -2.27 0.00 0.00 179.45 178.77 1f86 h SER 77 N 0.89 0.35 0.45 4.20 0.02 -1.79 0.23 113.55 117.90 1f86 h SER 77 Ca 0.18 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1f86 h SER 77 Cb 0.44 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1f86 h SER 77 CO 0.01 0.56 -0.22 0.22 -1.14 0.00 0.00 176.83 176.27 1f86 h TYR 78 N 0.33 -0.57 -0.62 3.45 3.20 -1.11 0.35 116.97 122.00 1f86 h TYR 78 Ca 0.06 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1f86 h TYR 78 Cb 0.54 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1f86 h TYR 78 CO 0.01 -0.30 0.33 -1.49 -1.64 0.00 0.00 178.16 175.07 1f86 h TRP 79 N -0.71 0.87 -0.39 -3.82 4.06 -0.98 -2.61 115.95 112.38 1f86 h TRP 79 Ca -0.06 -0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.74 1f86 h TRP 79 Cb 0.52 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1f86 h TRP 79 CO -0.02 0.64 -0.23 0.87 -3.56 0.00 0.00 178.44 176.13 1f86 h LYS 80 N 0.85 0.77 0.00 0.49 1.57 -0.80 0.28 116.57 119.73 1f86 h LYS 80 Ca 0.22 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1f86 h LYS 80 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1f86 h LYS 80 CO -0.03 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 1f86 n ALA 81 N -2.50 1.34 -0.09 3.86 0.00 0.11 -1.27 120.51 121.96 1f86 n ALA 81 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1f86 n ALA 81 Cb 0.44 -1.31 0.29 0.00 0.00 0.00 0.00 19.45 18.86 1f86 n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f86 n LEU 82 N -2.13 3.58 -0.36 0.00 4.77 -0.98 -4.96 117.00 116.92 1f86 n LEU 82 Ca 0.01 -1.79 -0.04 0.00 -0.03 0.00 0.00 56.01 54.15 1f86 n LEU 82 Cb 0.12 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1f86 n LEU 82 CO 0.13 0.83 -0.04 0.61 -1.33 0.00 0.00 177.39 177.59 1f86 n GLY 83 N 1.42 0.62 3.33 -0.72 0.00 -0.40 -5.04 105.19 104.41 1f86 n GLY 83 Ca 0.22 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1f86 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f86 s ILE 84 N -2.17 2.20 -0.63 -0.61 -1.09 0.94 -4.96 121.20 114.88 1f86 s ILE 84 Ca 0.00 -1.05 -0.18 0.00 -2.23 0.00 0.00 60.65 57.19 1f86 s ILE 84 Cb 0.00 -1.78 0.12 0.00 -1.58 0.00 0.00 42.46 39.23 1f86 s ILE 84 CO 0.00 0.58 0.69 -0.44 -1.23 0.00 0.00 174.94 174.54 1f86 s SER 85 N -0.59 6.28 0.69 3.58 0.01 -1.26 -2.86 113.70 119.54 1f86 s SER 85 Ca 0.09 -1.70 -0.00 0.00 1.31 0.00 0.00 55.95 55.65 1f86 s SER 85 Cb -0.10 -2.28 0.11 0.00 0.21 0.00 0.00 66.02 63.96 1f86 s SER 85 CO -0.00 -0.99 0.95 -2.16 0.41 0.00 0.00 173.24 171.44 1f86 s PRO 86 N 2.15 1.86 -0.10 12.44 0.04 -1.26 -5.02 135.00 145.11 1f86 s PRO 86 Ca 0.12 -1.04 -0.22 0.00 0.04 0.00 0.00 61.00 59.90 1f86 s PRO 86 Cb -0.23 -2.36 -0.19 0.00 0.04 0.00 0.00 34.50 31.77 1f86 s PRO 86 CO 0.03 -1.30 0.74 0.35 0.04 0.00 0.00 177.00 176.86 1f86 h PHE 87 N -0.41 -0.05 -3.82 0.56 3.57 -1.46 -3.47 116.94 111.85 1f86 h PHE 87 Ca -0.37 -0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.64 1f86 h PHE 87 Cb 1.27 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1f86 h PHE 87 CO -0.06 0.58 0.17 -1.01 -2.23 0.00 0.00 178.31 175.76 1f86 s HIS 88 N -2.67 3.40 0.07 0.41 3.76 -1.26 -4.99 115.29 114.01 1f86 s HIS 88 Ca -0.14 1.26 -0.15 0.00 -0.15 0.00 0.00 55.06 55.88 1f86 s HIS 88 Cb -0.01 -2.59 -0.16 0.00 1.11 0.00 0.00 32.58 30.93 1f86 s HIS 88 CO 0.52 -0.04 1.28 0.93 -0.85 0.00 0.00 174.74 176.58 1f86 h GLU 89 N 1.80 0.67 -2.91 1.40 4.39 -1.98 -3.35 114.58 114.59 1f86 h GLU 89 Ca -0.48 -0.52 0.06 0.00 0.34 0.00 0.00 59.36 58.76 1f86 h GLU 89 Cb 1.18 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 1f86 h GLU 89 CO 0.64 1.14 0.28 -3.38 -1.16 0.00 0.00 179.01 176.53 1f86 s HIS 90 N -3.77 -0.10 -0.12 4.33 -3.43 -1.26 -2.69 115.29 108.25 1f86 s HIS 90 Ca -0.12 -0.40 -0.01 0.00 -0.80 0.00 0.00 55.06 53.73 1f86 s HIS 90 Cb 0.07 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.93 1f86 s HIS 90 CO 0.86 -1.27 -0.07 0.00 -2.00 0.00 0.00 174.74 172.26 1f86 s ALA 91 N -3.39 2.90 -0.02 -1.38 0.00 -0.42 -4.87 121.76 114.57 1f86 s ALA 91 Ca 0.13 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1f86 s ALA 91 Cb -0.05 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 1f86 s ALA 91 CO 0.08 0.35 -0.21 -1.21 0.00 0.00 0.00 175.76 174.76 1f86 s GLU 92 N -0.04 2.22 -0.15 0.00 8.01 -1.26 -0.48 118.70 126.99 1f86 s GLU 92 Ca -0.00 -0.87 -0.02 0.00 0.01 0.00 0.00 54.97 54.10 1f86 s GLU 92 Cb -0.13 -2.17 0.04 0.00 -4.31 0.00 0.00 34.13 27.56 1f86 s GLU 92 CO 0.03 0.58 -0.01 0.08 0.01 0.00 0.00 175.26 175.95 1f86 s VAL 93 N -0.71 0.71 -0.16 2.63 1.01 -0.17 -4.98 120.40 118.73 1f86 s VAL 93 Ca 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1f86 s VAL 93 Cb -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1f86 s VAL 93 CO 0.01 0.04 -0.19 -0.69 0.00 0.00 0.00 175.10 174.26 1f86 s VAL 94 N 1.80 2.25 -0.03 2.92 1.01 -1.26 -0.30 120.40 126.79 1f86 s VAL 94 Ca 0.01 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 1f86 s VAL 94 Cb -0.15 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.36 1f86 s VAL 94 CO -0.07 0.53 0.55 0.72 0.00 0.00 0.00 175.10 176.84 1f86 s PHE 95 N 0.97 -0.50 0.01 5.22 -0.71 -0.29 -4.99 117.98 117.69 1f86 s PHE 95 Ca -0.03 0.81 -0.29 0.00 -1.04 0.00 0.00 56.93 56.39 1f86 s PHE 95 Cb -0.15 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1f86 s PHE 95 CO -0.05 -0.55 0.93 0.99 -1.34 0.00 0.00 175.22 175.21 1f86 s THR 96 N -1.34 4.84 0.08 -4.49 2.01 -1.26 -0.72 115.64 114.77 1f86 s THR 96 Ca -0.11 1.96 0.08 0.00 0.31 0.00 0.00 61.69 63.93 1f86 s THR 96 Cb -0.02 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1f86 s THR 96 CO 0.07 0.20 -0.18 0.00 -0.69 0.00 0.00 174.62 174.02 1f86 s ALA 97 N 0.81 2.64 -1.72 7.40 0.00 0.17 -4.80 121.76 126.26 1f86 s ALA 97 Ca 0.49 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1f86 s ALA 97 Cb -0.21 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1f86 s ALA 97 CO 0.27 0.58 0.00 0.09 0.00 0.00 0.00 175.76 176.70 1f86 n ASN 98 N 1.14 -5.23 -0.03 0.00 3.02 -1.26 -2.84 115.26 110.06 1f86 n ASN 98 Ca -0.16 0.20 0.14 0.00 -0.03 0.00 0.00 54.58 54.73 1f86 n ASN 98 Cb 0.52 -4.31 0.64 0.00 -0.61 0.00 0.00 39.78 36.02 1f86 n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1f86 n ASP 99 N -1.21 0.19 -0.60 6.41 5.75 -1.26 -2.70 116.55 123.12 1f86 n ASP 99 Ca -0.20 -0.13 0.05 0.00 -0.01 0.00 0.00 54.79 54.50 1f86 n ASP 99 Cb 0.63 -0.22 0.20 0.00 -1.03 0.00 0.00 41.12 40.70 1f86 n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1f86 n SER 100 N -1.26 1.94 0.00 -1.12 7.64 -1.26 -5.09 113.62 114.47 1f86 n SER 100 Ca 0.12 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.24 1f86 n SER 100 Cb 0.28 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1f86 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f86 n GLY 101 N -1.15 1.03 3.76 0.23 0.00 -1.10 -4.98 105.19 102.98 1f86 n GLY 101 Ca 0.20 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1f86 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f86 s PRO 102 N -1.64 4.21 0.24 1.61 0.04 -1.26 -4.27 135.00 133.93 1f86 s PRO 102 Ca 0.00 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.50 1f86 s PRO 102 Cb 0.00 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1f86 s PRO 102 CO 0.00 -0.47 0.02 1.03 0.04 0.00 0.00 177.00 177.62 1f86 s ARG 103 N -0.98 1.36 -0.12 4.56 1.81 -1.26 -4.87 118.95 119.45 1f86 s ARG 103 Ca 0.57 -1.70 -0.02 0.00 -1.72 0.00 0.00 55.73 52.87 1f86 s ARG 103 Cb -0.44 -0.57 -0.03 0.00 -0.45 0.00 0.00 34.95 33.46 1f86 s ARG 103 CO 0.50 -0.13 -0.06 1.03 -0.68 0.00 0.00 175.30 175.96 1f86 s ARG 104 N -3.89 3.33 -0.13 3.54 0.52 0.27 -4.84 118.95 117.75 1f86 s ARG 104 Ca 0.30 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1f86 s ARG 104 Cb 0.06 -2.77 -0.00 0.00 0.52 0.00 0.00 34.95 32.76 1f86 s ARG 104 CO 0.10 0.38 -0.19 0.71 0.02 0.00 0.00 175.30 176.33 1f86 s TYR 105 N -0.04 2.70 -0.22 -0.53 1.51 -0.03 -0.92 117.35 119.81 1f86 s TYR 105 Ca 0.00 -1.01 -0.04 0.00 -1.01 0.00 0.00 57.07 55.01 1f86 s TYR 105 Cb -0.13 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1f86 s TYR 105 CO 0.03 -0.43 -0.04 0.99 -1.11 0.00 0.00 175.55 174.99 1f86 s THR 106 N 0.57 3.40 -0.31 -0.71 2.01 0.23 -0.97 115.64 119.86 1f86 s THR 106 Ca -0.11 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1f86 s THR 106 Cb -0.16 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1f86 s THR 106 CO 0.04 0.42 0.16 -0.63 -0.69 0.00 0.00 174.62 173.91 1f86 s ILE 107 N 1.48 4.64 0.03 1.82 -1.09 0.17 -1.10 121.20 127.16 1f86 s ILE 107 Ca 0.06 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.13 1f86 s ILE 107 Cb -0.14 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1f86 s ILE 107 CO -0.03 0.07 -0.10 0.00 -1.23 0.00 0.00 174.94 173.65 1f86 s ALA 108 N 1.62 2.89 -0.01 9.38 0.00 -0.12 -1.04 121.76 134.48 1f86 s ALA 108 Ca 0.05 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1f86 s ALA 108 Cb -0.17 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 21.98 1f86 s ALA 108 CO 0.06 0.61 -0.01 0.00 0.00 0.00 0.00 175.76 176.42 1f86 s ALA 109 N -1.02 0.22 -0.23 0.00 0.00 -0.17 -1.28 121.76 119.28 1f86 s ALA 109 Ca 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1f86 s ALA 109 Cb -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1f86 s ALA 109 CO 0.08 0.01 -0.04 -0.51 0.00 0.00 0.00 175.76 175.30 1f86 s LEU 110 N 0.31 3.00 -0.13 0.00 1.43 0.40 -1.12 118.68 122.56 1f86 s LEU 110 Ca -0.03 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 1f86 s LEU 110 Cb -0.05 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1f86 s LEU 110 CO -0.01 -0.05 -0.00 -0.76 0.23 0.00 0.00 176.35 175.76 1f86 s LEU 111 N 1.45 3.51 0.22 1.79 1.43 0.09 -1.71 118.68 125.46 1f86 s LEU 111 Ca 0.05 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1f86 s LEU 111 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1f86 s LEU 111 CO -0.03 0.26 -0.05 -0.55 0.23 0.00 0.00 176.35 176.20 1f86 s SER 112 N -0.15 2.12 0.33 2.29 0.15 -0.14 -1.02 113.70 117.27 1f86 s SER 112 Ca 0.04 -1.14 0.03 0.00 0.70 0.00 0.00 55.95 55.58 1f86 s SER 112 Cb -0.13 -0.05 0.61 0.00 -1.71 0.00 0.00 66.02 64.74 1f86 s SER 112 CO 0.02 -0.39 1.93 -0.65 1.20 0.00 0.00 173.24 175.35 1f86 h PRO 113 N 2.51 0.90 -0.17 5.44 0.11 -1.99 -3.02 132.00 135.78 1f86 h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1f86 h PRO 113 Cb 1.22 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1f86 h PRO 113 CO 0.65 0.59 0.00 0.66 -0.21 0.00 0.00 178.00 179.69 1f86 n TYR 114 N -4.48 0.38 -3.52 0.65 4.02 -1.26 -1.09 117.16 111.86 1f86 n TYR 114 Ca 0.12 -0.70 -0.12 0.00 -0.01 0.00 0.00 57.90 57.19 1f86 n TYR 114 Cb 0.20 -0.13 -0.04 0.00 -0.02 0.00 0.00 39.34 39.35 1f86 n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1f86 s SER 115 N -1.62 -0.45 0.12 7.72 1.04 -1.14 -4.97 113.70 114.39 1f86 s SER 115 Ca 0.24 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.53 1f86 s SER 115 Cb 0.18 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.85 1f86 s SER 115 CO 0.07 -0.87 0.31 -0.72 0.98 0.00 0.00 173.24 173.02 1f86 s TYR 116 N -3.36 -0.01 0.00 5.02 -0.85 -1.26 -0.97 117.35 115.92 1f86 s TYR 116 Ca -0.00 -0.36 0.07 0.00 -0.52 0.00 0.00 57.07 56.25 1f86 s TYR 116 Cb -0.00 0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 1f86 s TYR 116 CO -0.09 -0.65 -0.21 0.45 -1.52 0.00 0.00 175.55 173.54 1f86 s SER 117 N -2.84 2.43 0.06 -0.18 0.15 -0.70 -4.97 113.70 107.65 1f86 s SER 117 Ca 0.05 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.33 1f86 s SER 117 Cb 0.03 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1f86 s SER 117 CO -0.10 0.23 -0.13 0.28 1.20 0.00 0.00 173.24 174.71 1f86 s THR 118 N -0.57 1.03 -0.01 6.45 -1.32 -1.26 -0.45 115.64 119.51 1f86 s THR 118 Ca 0.08 -1.20 -0.10 0.00 -1.21 0.00 0.00 61.69 59.25 1f86 s THR 118 Cb -0.08 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.93 1f86 s THR 118 CO -0.00 -0.20 0.21 -0.32 -2.21 0.00 0.00 174.62 172.10 1f86 s MET 119 N -1.58 0.53 -0.11 7.08 0.00 -0.40 -5.00 119.30 119.82 1f86 s MET 119 Ca -0.02 -0.27 0.03 0.00 0.00 0.00 0.00 55.69 55.43 1f86 s MET 119 Cb -0.09 0.23 -0.00 0.00 0.00 0.00 0.00 34.83 34.96 1f86 s MET 119 CO 0.02 -0.13 -0.22 0.00 0.00 0.00 0.00 175.02 174.69 1f86 s ALA 120 N -1.24 2.26 -0.21 4.11 0.00 -1.26 -0.95 121.76 124.47 1f86 s ALA 120 Ca -0.13 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1f86 s ALA 120 Cb -0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1f86 s ALA 120 CO 0.02 0.25 0.05 0.08 0.00 0.00 0.00 175.76 176.16 1f86 s VAL 121 N 0.39 4.39 -0.14 0.00 1.01 -0.26 -4.97 120.40 120.82 1f86 s VAL 121 Ca -0.16 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1f86 s VAL 121 Cb -0.17 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1f86 s VAL 121 CO 0.07 0.41 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 1f86 s VAL 122 N 0.94 1.98 0.12 2.92 1.01 -1.26 -0.60 120.40 125.51 1f86 s VAL 122 Ca 0.03 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.15 1f86 s VAL 122 Cb -0.14 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1f86 s VAL 122 CO 0.02 0.53 -0.17 0.42 0.00 0.00 0.00 175.10 175.91 1f86 s THR 123 N 0.94 1.52 -2.10 3.92 -4.23 -0.10 -4.97 115.64 110.62 1f86 s THR 123 Ca -0.04 -1.67 0.17 0.00 -1.18 0.00 0.00 61.69 58.97 1f86 s THR 123 Cb -0.15 -1.55 0.13 0.00 1.34 0.00 0.00 72.50 72.27 1f86 s THR 123 CO -0.04 -0.28 1.03 -3.20 -0.54 0.00 0.00 174.62 171.59