#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f7i h PRO 11 N 0.00 0.00 -3.29 0.00 0.13 -1.88 -3.43 132.00 123.52 2f7i h PRO 11 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 2f7i h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2f7i h PRO 11 CO 0.00 0.00 -0.75 -1.17 -0.23 0.00 0.00 178.00 175.85 2f7i s LEU 12 N -5.53 0.27 0.08 1.56 2.96 -1.26 -0.24 118.68 116.53 2f7i s LEU 12 Ca 0.06 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2f7i s LEU 12 Cb 0.08 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 2f7i s LEU 12 CO 0.59 -0.27 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.87 2f7i s MET 13 N 2.13 0.91 -0.04 1.98 -2.45 -0.33 -4.45 119.30 117.05 2f7i s MET 13 Ca 0.04 -1.02 0.04 0.00 -1.25 0.00 0.00 55.69 53.50 2f7i s MET 13 Cb -0.13 -0.99 -0.00 0.00 1.25 0.00 0.00 34.83 34.96 2f7i s MET 13 CO -0.05 0.22 -0.17 0.08 1.05 0.00 0.00 175.02 176.15 2f7i s VAL 14 N -1.27 1.42 -0.05 10.11 1.01 -0.89 -1.02 120.40 129.71 2f7i s VAL 14 Ca 0.01 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2f7i s VAL 14 Cb -0.10 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2f7i s VAL 14 CO 0.03 0.41 -0.11 -0.75 0.00 0.00 0.00 175.10 174.68 2f7i s LYS 15 N 0.07 1.39 -0.07 2.72 2.20 0.17 -0.82 119.74 125.40 2f7i s LYS 15 Ca -0.04 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2f7i s LYS 15 Cb -0.12 -1.21 0.02 0.00 -1.51 0.00 0.00 37.83 35.01 2f7i s LYS 15 CO 0.02 0.08 -0.11 0.08 -0.36 0.00 0.00 175.35 175.06 2f7i s VAL 16 N 0.44 1.05 0.19 4.02 1.01 -0.06 -0.61 120.40 126.45 2f7i s VAL 16 Ca -0.09 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.58 2f7i s VAL 16 Cb -0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2f7i s VAL 16 CO 0.02 0.34 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 2f7i s LEU 17 N 0.77 2.52 -0.28 3.92 1.43 -0.02 -0.95 118.68 126.07 2f7i s LEU 17 Ca -0.13 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.10 2f7i s LEU 17 Cb -0.15 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.82 2f7i s LEU 17 CO 0.02 0.12 0.05 -0.62 0.23 0.00 0.00 176.35 176.15 2f7i s ASP 18 N -2.69 4.96 0.00 2.29 -1.08 0.38 -1.09 116.67 119.45 2f7i s ASP 18 Ca 0.21 -0.68 0.29 0.00 -0.52 0.00 0.00 52.55 51.85 2f7i s ASP 18 Cb -0.08 -1.84 1.22 0.00 -1.46 0.00 0.00 42.92 40.76 2f7i s ASP 18 CO 0.11 -0.16 1.91 0.00 0.52 0.00 0.00 175.17 177.55 2f7i n ALA 19 N 4.84 2.41 -0.00 3.66 0.00 -0.19 -1.43 120.51 129.79 2f7i n ALA 19 Ca -0.15 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 2f7i n ALA 19 Cb 0.48 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2f7i n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2f7i h VAL 20 N 0.00 0.81 0.00 0.00 2.07 -1.95 -3.40 116.25 113.80 2f7i h VAL 20 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 2f7i h VAL 20 Cb 0.48 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2f7i h VAL 20 CO 0.00 0.75 -1.41 0.54 0.02 0.00 0.00 177.57 177.48 2f7i n ARG 21 N -3.76 0.47 -2.90 1.57 1.74 -1.24 -5.01 116.66 107.53 2f7i n ARG 21 Ca -0.29 -0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 56.62 2f7i n ARG 21 Cb 0.96 -1.60 0.06 0.00 -1.02 0.00 0.00 32.46 30.85 2f7i n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f7i n GLY 22 N 1.30 -0.06 3.39 -0.13 0.00 -0.51 -5.03 105.19 104.14 2f7i n GLY 22 Ca -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2f7i n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f7i s SER 23 N -3.85 -0.01 0.65 1.61 1.04 -1.12 -5.01 113.70 107.01 2f7i s SER 23 Ca 0.00 -0.84 -0.18 0.00 0.48 0.00 0.00 55.95 55.41 2f7i s SER 23 Cb -0.00 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 2f7i s SER 23 CO 0.46 -0.94 1.27 -2.16 0.98 0.00 0.00 173.24 172.84 2f7i s PRO 24 N -3.97 2.55 -0.47 4.02 0.04 -1.26 -0.47 135.00 135.44 2f7i s PRO 24 Ca 0.17 1.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 2f7i s PRO 24 Cb 0.02 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.75 2f7i s PRO 24 CO 0.01 -1.58 0.66 0.00 0.04 0.00 0.00 177.00 176.13 2f7i s ALA 25 N -1.51 3.34 0.02 8.56 0.00 -0.13 -4.56 121.76 127.48 2f7i s ALA 25 Ca 0.81 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 2f7i s ALA 25 Cb -0.35 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 2f7i s ALA 25 CO 0.39 -1.91 0.32 0.42 0.00 0.00 0.00 175.76 174.99 2f7i s ILE 26 N 2.84 5.21 -1.48 0.00 1.01 -1.26 -4.34 121.20 123.17 2f7i s ILE 26 Ca 0.20 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 2f7i s ILE 26 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2f7i s ILE 26 CO 0.16 0.38 0.44 0.59 0.00 0.00 0.00 174.94 176.52 2f7i n ASN 27 N 1.19 -5.74 -4.67 3.58 4.13 -0.13 -4.94 115.26 108.68 2f7i n ASN 27 Ca -0.11 -0.21 -0.42 0.00 1.68 0.00 0.00 54.58 55.52 2f7i n ASN 27 Cb 0.53 -4.61 -0.04 0.00 -1.54 0.00 0.00 39.78 34.12 2f7i n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2f7i s VAL 28 N -3.10 4.86 0.28 2.41 1.01 -1.26 -4.75 120.40 119.86 2f7i s VAL 28 Ca 0.22 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 2f7i s VAL 28 Cb -0.10 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 2f7i s VAL 28 CO 0.27 0.02 1.16 0.00 0.00 0.00 0.00 175.10 176.55 2f7i s ALA 29 N 2.16 3.43 -0.05 5.51 0.00 -1.26 -1.36 121.76 130.19 2f7i s ALA 29 Ca 0.40 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2f7i s ALA 29 Cb -0.17 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2f7i s ALA 29 CO 0.13 -0.30 -0.02 0.08 0.00 0.00 0.00 175.76 175.65 2f7i s VAL 30 N -1.05 0.44 -0.10 0.00 1.01 0.11 -1.04 120.40 119.77 2f7i s VAL 30 Ca 0.46 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2f7i s VAL 30 Cb -0.34 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2f7i s VAL 30 CO 0.43 0.22 -0.18 -1.00 0.00 0.00 0.00 175.10 174.58 2f7i s HIS 31 N 1.25 2.68 -0.09 5.22 3.76 -0.38 -1.35 115.29 126.38 2f7i s HIS 31 Ca -0.06 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.18 2f7i s HIS 31 Cb -0.14 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 2f7i s HIS 31 CO -0.02 -0.21 -0.12 0.08 -0.85 0.00 0.00 174.74 173.62 2f7i s VAL 32 N 0.12 3.20 0.18 -0.90 1.01 0.18 -0.48 120.40 123.71 2f7i s VAL 32 Ca -0.09 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.33 2f7i s VAL 32 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2f7i s VAL 32 CO 0.05 0.56 -0.16 -0.36 0.00 0.00 0.00 175.10 175.20 2f7i s PHE 33 N -0.28 1.73 -0.03 5.22 0.40 0.23 -0.68 117.98 124.57 2f7i s PHE 33 Ca 0.02 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 2f7i s PHE 33 Cb -0.13 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.57 2f7i s PHE 33 CO 0.03 0.33 -0.12 0.50 0.70 0.00 0.00 175.22 176.65 2f7i s ARG 34 N -3.16 1.29 -0.08 0.44 3.52 0.20 -0.94 118.95 120.21 2f7i s ARG 34 Ca 0.18 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2f7i s ARG 34 Cb -0.03 -1.16 -0.04 0.00 -1.56 0.00 0.00 34.95 32.16 2f7i s ARG 34 CO 0.06 0.16 1.34 0.21 -0.81 0.00 0.00 175.30 176.27 2f7i s LYS 35 N 0.14 4.27 0.70 5.12 2.20 -0.09 -0.61 119.74 131.47 2f7i s LYS 35 Ca -0.04 1.82 -0.08 0.00 -0.36 0.00 0.00 55.97 57.32 2f7i s LYS 35 Cb -0.10 -3.70 0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2f7i s LYS 35 CO 0.01 -0.63 1.03 0.00 -0.36 0.00 0.00 175.35 175.40 2f7i s ALA 36 N 2.98 3.08 0.31 3.13 0.00 0.83 -4.71 121.76 127.38 2f7i s ALA 36 Ca 0.60 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.87 2f7i s ALA 36 Cb -0.27 -2.70 0.82 0.00 0.00 0.00 0.00 23.12 20.97 2f7i s ALA 36 CO 0.22 -1.23 1.75 0.00 0.00 0.00 0.00 175.76 176.50 2f7i h ALA 37 N -0.59 1.74 -0.15 0.00 0.00 -1.95 0.15 119.26 118.47 2f7i h ALA 37 Ca -0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2f7i h ALA 37 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2f7i h ALA 37 CO 0.62 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 2f7i n ASP 38 N -4.82 0.89 0.00 0.00 3.85 -1.26 -4.91 116.55 110.31 2f7i n ASP 38 Ca 0.25 -1.91 0.00 0.00 -0.71 0.00 0.00 54.79 52.42 2f7i n ASP 38 Cb 0.66 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 2f7i n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2f7i n ASP 39 N -0.05 -2.92 -4.91 -1.12 2.03 0.54 -5.05 116.55 105.07 2f7i n ASP 39 Ca 0.08 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.18 2f7i n ASP 39 Cb 0.15 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 2f7i n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2f7i s THR 40 N -2.00 4.27 -0.45 5.18 -4.23 -1.26 -4.84 115.64 112.31 2f7i s THR 40 Ca 0.00 -1.19 -0.21 0.00 -1.18 0.00 0.00 61.69 59.11 2f7i s THR 40 Cb 0.00 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.42 2f7i s THR 40 CO 0.00 -0.24 0.68 0.26 -0.54 0.00 0.00 174.62 174.77 2f7i s TRP 41 N -2.16 3.04 -0.01 3.99 0.52 -1.26 -0.12 118.94 122.94 2f7i s TRP 41 Ca 0.39 -0.09 -0.19 0.00 0.02 0.00 0.00 56.10 56.23 2f7i s TRP 41 Cb -0.08 -3.45 -0.05 0.00 -1.15 0.00 0.00 33.47 28.74 2f7i s TRP 41 CO 0.28 -0.93 0.55 -2.00 0.02 0.00 0.00 176.95 174.87 2f7i s GLU 42 N 2.92 4.25 0.19 4.98 2.56 0.22 -4.84 118.70 128.98 2f7i s GLU 42 Ca 0.23 0.65 -0.33 0.00 0.00 0.00 0.00 54.97 55.53 2f7i s GLU 42 Cb -0.14 -3.32 -0.14 0.00 2.00 0.00 0.00 34.13 32.52 2f7i s GLU 42 CO 0.19 0.42 1.38 -2.30 -0.56 0.00 0.00 175.26 174.39 2f7i n PRO 43 N 2.59 1.77 -0.01 4.30 -0.02 -1.26 -0.63 135.00 141.74 2f7i n PRO 43 Ca -0.08 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 2f7i n PRO 43 Cb 0.51 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 2f7i n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2f7i n PHE 44 N 2.21 0.00 -3.51 6.00 7.35 0.15 -4.78 117.46 124.88 2f7i n PHE 44 Ca 0.14 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.73 2f7i n PHE 44 Cb 0.28 -0.06 -0.03 0.00 0.35 0.00 0.00 39.48 40.03 2f7i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2f7i s ALA 45 N -2.03 -1.81 0.18 3.13 0.00 -0.85 -5.00 121.76 115.38 2f7i s ALA 45 Ca -0.02 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 2f7i s ALA 45 Cb 0.01 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 2f7i s ALA 45 CO 0.03 -0.61 0.35 -1.54 0.00 0.00 0.00 175.76 173.99 2f7i s SER 46 N -2.19 -0.02 0.00 0.00 1.04 -1.26 0.47 113.70 111.75 2f7i s SER 46 Ca 0.02 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 2f7i s SER 46 Cb -0.01 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.61 2f7i s SER 46 CO -0.06 -0.96 0.25 0.61 0.98 0.00 0.00 173.24 174.07 2f7i n GLY 47 N -0.26 0.67 3.17 7.32 0.00 -0.46 -4.97 105.19 110.65 2f7i n GLY 47 Ca -0.07 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 2f7i n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f7i s LYS 48 N -2.00 1.00 0.48 1.61 1.02 -1.26 -0.71 119.74 119.88 2f7i s LYS 48 Ca 0.06 -0.82 -0.22 0.00 0.02 0.00 0.00 55.97 55.01 2f7i s LYS 48 Cb -0.00 -1.04 -0.07 0.00 -0.52 0.00 0.00 37.83 36.20 2f7i s LYS 48 CO 0.00 0.25 1.17 0.95 -0.92 0.00 0.00 175.35 176.80 2f7i s THR 49 N -0.90 3.07 0.47 2.17 -4.23 -0.46 -4.74 115.64 111.02 2f7i s THR 49 Ca 0.02 0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 61.23 2f7i s THR 49 Cb -0.08 -3.37 0.11 0.00 1.34 0.00 0.00 72.50 70.50 2f7i s THR 49 CO 0.02 -0.05 0.65 -1.54 -0.54 0.00 0.00 174.62 173.16 2f7i n SER 50 N -0.72 0.12 0.32 3.99 3.41 0.38 -0.96 113.62 120.16 2f7i n SER 50 Ca 0.09 -1.28 0.21 0.00 -0.26 0.00 0.00 58.87 57.62 2f7i n SER 50 Cb 0.49 -0.49 1.04 0.00 -0.26 0.00 0.00 64.21 64.99 2f7i n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f7i h GLU 51 N 0.00 0.00 -0.12 4.33 4.39 -1.94 -0.42 114.58 120.82 2f7i h GLU 51 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2f7i h GLU 51 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2f7i h GLU 51 CO 0.15 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.88 2f7i n SER 52 N -3.12 1.92 -0.03 1.42 3.41 -1.26 -4.79 113.62 111.18 2f7i n SER 52 Ca -0.02 -1.69 -0.00 0.00 -0.26 0.00 0.00 58.87 56.90 2f7i n SER 52 Cb 0.15 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2f7i n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f7i n GLY 53 N 1.21 0.47 3.75 5.00 0.00 -0.17 -4.78 105.19 110.67 2f7i n GLY 53 Ca 0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2f7i n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f7i s GLU 54 N -0.54 2.75 -0.17 1.61 2.02 -1.26 -0.88 118.70 122.23 2f7i s GLU 54 Ca 0.00 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 2f7i s GLU 54 Cb 0.00 -2.60 0.05 0.00 0.10 0.00 0.00 34.13 31.68 2f7i s GLU 54 CO 0.00 0.51 0.01 -1.17 0.02 0.00 0.00 175.26 174.63 2f7i s LEU 55 N -2.72 1.27 0.42 1.80 2.96 -0.01 -0.47 118.68 121.93 2f7i s LEU 55 Ca 0.29 -0.72 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 2f7i s LEU 55 Cb -0.11 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 2f7i s LEU 55 CO 0.21 -0.27 0.15 -1.00 -1.32 0.00 0.00 176.35 174.13 2f7i s HIS 56 N 1.80 2.55 -0.23 5.38 3.76 -1.26 -2.10 115.29 125.19 2f7i s HIS 56 Ca -0.00 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2f7i s HIS 56 Cb -0.16 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.61 2f7i s HIS 56 CO -0.07 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 2f7i n GLY 57 N -1.21 0.51 0.23 -2.22 0.00 -1.26 -4.94 105.19 96.30 2f7i n GLY 57 Ca -0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2f7i n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2f7i h LEU 58 N 0.00 0.76 -8.12 0.99 3.38 -1.88 -3.47 115.31 106.96 2f7i h LEU 58 Ca -0.05 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2f7i h LEU 58 Cb 0.28 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2f7i h LEU 58 CO 0.07 1.12 0.07 0.28 0.09 0.00 0.00 178.44 180.07 2f7i s THR 59 N -4.15 0.00 0.30 0.22 -1.32 -1.26 -4.78 115.64 104.64 2f7i s THR 59 Ca -0.09 -1.19 0.08 0.00 -1.21 0.00 0.00 61.69 59.28 2f7i s THR 59 Cb 0.11 -2.16 -0.04 0.00 -1.51 0.00 0.00 72.50 68.90 2f7i s THR 59 CO 0.86 0.00 0.19 0.42 -2.21 0.00 0.00 174.62 173.87 2f7i s THR 60 N -3.83 3.77 0.40 5.08 -4.23 -1.26 -4.61 115.64 110.95 2f7i s THR 60 Ca 0.17 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.24 2f7i s THR 60 Cb -0.03 -3.18 0.21 0.00 1.34 0.00 0.00 72.50 70.84 2f7i s THR 60 CO 0.09 -0.27 1.99 1.05 -0.54 0.00 0.00 174.62 176.93 2f7i h GLU 61 N 1.49 0.38 -0.39 3.99 4.11 -2.00 -1.29 114.58 120.87 2f7i h GLU 61 Ca -0.46 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 2f7i h GLU 61 Cb 1.25 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2f7i h GLU 61 CO 0.60 0.36 0.20 0.93 0.07 0.00 0.00 179.01 181.17 2f7i h GLU 62 N 0.38 0.55 0.00 1.06 5.08 -2.03 -3.16 114.58 116.46 2f7i h GLU 62 Ca 0.09 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2f7i h GLU 62 Cb 0.16 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2f7i h GLU 62 CO -0.00 0.48 -0.36 0.93 -1.00 0.00 0.00 179.01 179.05 2f7i h GLU 63 N 0.49 0.00 -3.67 2.33 4.39 -1.90 -3.39 114.58 112.83 2f7i h GLU 63 Ca 0.13 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 59.09 2f7i h GLU 63 Cb 0.10 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.61 2f7i h GLU 63 CO -0.02 0.22 2.19 0.34 -1.16 0.00 0.00 179.01 180.58 2f7i n PHE 64 N -3.10 3.15 -1.90 4.33 7.35 -0.51 -4.96 117.46 121.82 2f7i n PHE 64 Ca 0.02 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.56 2f7i n PHE 64 Cb 0.63 -2.07 0.19 0.00 0.35 0.00 0.00 39.48 38.58 2f7i n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2f7i s VAL 65 N 0.98 1.98 0.51 -2.13 -7.23 -1.26 -4.94 120.40 108.31 2f7i s VAL 65 Ca 0.41 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.36 2f7i s VAL 65 Cb 0.10 -2.98 -0.07 0.00 0.56 0.00 0.00 36.38 33.99 2f7i s VAL 65 CO -0.01 0.00 1.24 1.21 -0.31 0.00 0.00 175.10 177.22 2f7i n GLU 66 N -3.82 1.60 -3.78 4.82 0.00 -1.26 -4.79 120.64 113.41 2f7i n GLU 66 Ca 0.15 0.58 0.00 0.00 0.00 0.00 0.00 57.16 57.90 2f7i n GLU 66 Cb 0.59 -2.41 0.00 0.00 0.00 0.00 0.00 31.44 29.63 2f7i n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2f7i n GLY 67 N 0.90 -2.30 3.60 8.31 0.00 -1.01 -5.00 105.19 109.69 2f7i n GLY 67 Ca 0.10 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2f7i n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f7i s ILE 68 N -2.21 4.95 0.06 -0.61 1.01 -1.26 -0.59 121.20 122.54 2f7i s ILE 68 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.76 2f7i s ILE 68 Cb 0.00 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2f7i s ILE 68 CO 0.00 0.37 -0.18 -0.31 0.00 0.00 0.00 174.94 174.82 2f7i s TYR 69 N 1.00 2.55 -0.16 3.97 1.51 0.29 -0.91 117.35 125.60 2f7i s TYR 69 Ca 0.06 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 2f7i s TYR 69 Cb -0.14 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2f7i s TYR 69 CO 0.04 0.28 -0.20 0.21 -1.11 0.00 0.00 175.55 174.77 2f7i s LYS 70 N -1.61 2.93 -0.33 -0.62 2.20 -0.12 -1.44 119.74 120.76 2f7i s LYS 70 Ca 0.15 -0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 54.85 2f7i s LYS 70 Cb -0.10 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2f7i s LYS 70 CO 0.06 -0.14 0.17 0.08 -0.36 0.00 0.00 175.35 175.16 2f7i s VAL 71 N 1.13 4.56 -0.23 4.02 1.01 0.38 -0.60 120.40 130.67 2f7i s VAL 71 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2f7i s VAL 71 Cb -0.14 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2f7i s VAL 71 CO -0.09 -0.03 0.04 -0.70 0.00 0.00 0.00 175.10 174.33 2f7i s GLU 72 N 1.59 3.65 -0.23 2.72 2.12 0.37 -0.55 118.70 128.37 2f7i s GLU 72 Ca 0.04 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.82 2f7i s GLU 72 Cb -0.18 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 2f7i s GLU 72 CO 0.06 -0.09 0.02 0.42 -0.54 0.00 0.00 175.26 175.13 2f7i s ILE 73 N 1.30 3.94 -1.30 -3.70 1.01 0.11 -1.25 121.20 121.32 2f7i s ILE 73 Ca 0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 2f7i s ILE 73 Cb -0.15 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.62 2f7i s ILE 73 CO 0.02 0.39 1.76 0.47 0.00 0.00 0.00 174.94 177.58 2f7i n ASP 74 N 4.70 4.86 0.02 3.58 10.43 -0.21 -1.39 116.55 138.55 2f7i n ASP 74 Ca -0.17 -2.95 -0.09 0.00 2.57 0.00 0.00 54.79 54.15 2f7i n ASP 74 Cb 0.51 -1.63 0.07 0.00 1.84 0.00 0.00 41.12 41.90 2f7i n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2f7i h THR 75 N 4.70 1.33 -0.15 -3.53 1.35 -1.87 -2.84 112.91 111.91 2f7i h THR 75 Ca 0.42 -1.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.44 2f7i h THR 75 Cb 0.79 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2f7i h THR 75 CO 1.50 0.57 0.09 0.50 -0.25 0.00 0.00 175.52 177.93 2f7i h LYS 76 N 0.37 0.21 -0.51 4.72 3.64 -1.70 -1.22 116.57 122.09 2f7i h LYS 76 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2f7i h LYS 76 Cb 1.11 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2f7i h LYS 76 CO 0.10 0.18 0.33 0.77 -2.27 0.00 0.00 179.45 178.57 2f7i h SER 77 N 0.18 0.59 0.19 4.20 0.02 -1.81 0.08 113.55 116.98 2f7i h SER 77 Ca 0.06 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2f7i h SER 77 Cb 0.03 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2f7i h SER 77 CO -0.01 0.43 -0.09 0.22 -1.14 0.00 0.00 176.83 176.24 2f7i h TYR 78 N 0.69 -0.23 -0.19 3.45 3.20 -1.17 -0.92 116.97 121.80 2f7i h TYR 78 Ca 0.19 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.91 2f7i h TYR 78 Cb -0.07 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2f7i h TYR 78 CO 0.00 -0.03 -0.46 -1.49 -1.64 0.00 0.00 178.16 174.54 2f7i h TRP 79 N -0.39 0.59 -0.25 -3.82 4.06 -0.87 -2.92 115.95 112.35 2f7i h TRP 79 Ca -0.03 -0.18 -0.16 0.00 2.06 0.00 0.00 58.89 60.58 2f7i h TRP 79 Cb 0.30 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2f7i h TRP 79 CO -0.02 0.86 -0.49 0.87 -3.56 0.00 0.00 178.44 176.09 2f7i h LYS 80 N 0.39 0.69 0.00 0.49 1.57 -0.92 0.99 116.57 119.78 2f7i h LYS 80 Ca 0.03 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2f7i h LYS 80 Cb 0.95 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 2f7i h LYS 80 CO 0.08 1.02 -0.02 0.00 -0.57 0.00 0.00 179.45 179.96 2f7i h ALA 81 N 0.91 1.43 -0.38 3.86 0.00 -1.05 0.39 119.26 124.42 2f7i h ALA 81 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2f7i h ALA 81 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2f7i h ALA 81 CO 0.10 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.65 2f7i n LEU 82 N -3.74 2.77 -0.08 0.00 4.77 -0.98 -4.98 117.00 114.77 2f7i n LEU 82 Ca -0.03 -1.25 -0.01 0.00 -0.03 0.00 0.00 56.01 54.69 2f7i n LEU 82 Cb 0.10 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2f7i n LEU 82 CO 0.27 0.63 -0.01 0.61 -1.33 0.00 0.00 177.39 177.56 2f7i n GLY 83 N 1.36 0.43 3.88 -0.72 0.00 0.14 -5.04 105.19 105.23 2f7i n GLY 83 Ca 0.18 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2f7i n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f7i s ILE 84 N -1.78 5.13 -0.55 -0.61 1.01 0.28 -4.95 121.20 119.74 2f7i s ILE 84 Ca 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.77 2f7i s ILE 84 Cb 0.00 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.98 2f7i s ILE 84 CO 0.00 0.19 0.50 -0.44 0.00 0.00 0.00 174.94 175.19 2f7i s SER 85 N -2.02 6.18 0.72 3.58 0.01 -1.26 -3.09 113.70 117.83 2f7i s SER 85 Ca 0.36 -1.85 -0.05 0.00 1.31 0.00 0.00 55.95 55.71 2f7i s SER 85 Cb -0.13 -2.19 0.09 0.00 0.21 0.00 0.00 66.02 64.00 2f7i s SER 85 CO 0.20 -0.83 1.02 -2.16 0.41 0.00 0.00 173.24 171.88 2f7i s PRO 86 N 1.50 1.88 -0.14 12.44 0.04 -1.26 -5.00 135.00 144.46 2f7i s PRO 86 Ca 0.04 -0.58 -0.23 0.00 0.04 0.00 0.00 61.00 60.27 2f7i s PRO 86 Cb -0.29 -2.21 -0.21 0.00 0.04 0.00 0.00 34.50 31.84 2f7i s PRO 86 CO 0.02 -1.39 0.60 0.35 0.04 0.00 0.00 177.00 176.62 2f7i h PHE 87 N -0.64 0.00 -3.86 0.56 3.57 -1.41 -3.48 116.94 111.68 2f7i h PHE 87 Ca -0.42 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.60 2f7i h PHE 87 Cb 1.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2f7i h PHE 87 CO -0.02 0.83 0.20 -1.01 -2.23 0.00 0.00 178.31 176.07 2f7i s HIS 88 N -2.10 3.39 0.10 0.41 3.76 -1.26 -4.98 115.29 114.60 2f7i s HIS 88 Ca -0.16 1.31 -0.12 0.00 -0.15 0.00 0.00 55.06 55.94 2f7i s HIS 88 Cb -0.02 -2.63 -0.16 0.00 1.11 0.00 0.00 32.58 30.88 2f7i s HIS 88 CO 0.56 -0.06 1.29 0.93 -0.85 0.00 0.00 174.74 176.61 2f7i h GLU 89 N 1.79 0.77 -2.43 1.40 4.39 -1.98 -3.36 114.58 115.16 2f7i h GLU 89 Ca -0.48 -0.66 0.17 0.00 0.34 0.00 0.00 59.36 58.73 2f7i h GLU 89 Cb 1.18 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 2f7i h GLU 89 CO 0.63 1.26 0.54 -3.38 -1.16 0.00 0.00 179.01 176.91 2f7i s HIS 90 N -3.67 -0.01 -0.16 4.33 -3.43 -1.26 -3.06 115.29 108.02 2f7i s HIS 90 Ca -0.10 -0.35 -0.00 0.00 -0.80 0.00 0.00 55.06 53.81 2f7i s HIS 90 Cb 0.08 0.68 -0.00 0.00 -1.43 0.00 0.00 32.58 31.91 2f7i s HIS 90 CO 0.91 -0.89 -0.14 0.00 -2.00 0.00 0.00 174.74 172.62 2f7i s ALA 91 N -2.64 2.55 -0.09 -1.38 0.00 -0.48 -4.88 121.76 114.84 2f7i s ALA 91 Ca 0.17 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 2f7i s ALA 91 Cb -0.02 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2f7i s ALA 91 CO 0.04 -0.06 -0.07 -1.21 0.00 0.00 0.00 175.76 174.46 2f7i s GLU 92 N 0.85 2.96 -0.19 0.00 2.02 -1.26 0.09 118.70 123.17 2f7i s GLU 92 Ca -0.04 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.40 2f7i s GLU 92 Cb -0.15 -2.65 0.04 0.00 0.10 0.00 0.00 34.13 31.47 2f7i s GLU 92 CO -0.00 0.55 -0.12 0.08 0.02 0.00 0.00 175.26 175.79 2f7i s VAL 93 N -0.51 1.67 -0.13 2.63 1.01 0.29 -4.97 120.40 120.39 2f7i s VAL 93 Ca 0.08 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2f7i s VAL 93 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2f7i s VAL 93 CO 0.02 0.24 -0.18 -0.69 0.00 0.00 0.00 175.10 174.50 2f7i s VAL 94 N 1.40 2.57 -0.01 2.92 1.01 -1.26 -0.47 120.40 126.55 2f7i s VAL 94 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 2f7i s VAL 94 Cb -0.15 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.23 2f7i s VAL 94 CO -0.09 0.54 0.51 0.72 0.00 0.00 0.00 175.10 176.78 2f7i s PHE 95 N 0.47 -0.44 0.11 5.22 -0.71 -0.52 -4.99 117.98 117.12 2f7i s PHE 95 Ca -0.12 0.67 -0.28 0.00 -1.04 0.00 0.00 56.93 56.16 2f7i s PHE 95 Cb -0.16 0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 41.87 2f7i s PHE 95 CO 0.05 -0.54 0.87 0.99 -1.34 0.00 0.00 175.22 175.25 2f7i s THR 96 N -1.54 4.53 0.02 -4.49 2.01 -1.26 -0.55 115.64 114.35 2f7i s THR 96 Ca -0.10 1.89 0.08 0.00 0.31 0.00 0.00 61.69 63.86 2f7i s THR 96 Cb -0.02 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2f7i s THR 96 CO 0.05 0.37 -0.23 0.00 -0.69 0.00 0.00 174.62 174.13 2f7i s ALA 97 N -0.24 1.90 -1.28 7.40 0.00 0.24 -4.82 121.76 124.97 2f7i s ALA 97 Ca 0.42 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2f7i s ALA 97 Cb -0.23 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2f7i s ALA 97 CO 0.27 0.45 0.00 0.09 0.00 0.00 0.00 175.76 176.57 2f7i n ASN 98 N 2.09 -4.38 -0.03 0.00 5.03 -1.26 -2.41 115.26 114.29 2f7i n ASN 98 Ca -0.16 0.22 0.15 0.00 0.87 0.00 0.00 54.58 55.65 2f7i n ASN 98 Cb 0.53 -3.18 0.73 0.00 -1.02 0.00 0.00 39.78 36.84 2f7i n ASN 98 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2f7i n ASP 99 N -0.17 0.14 -2.46 6.41 4.64 -1.26 -2.45 116.55 121.40 2f7i n ASP 99 Ca -0.13 -0.33 -0.18 0.00 -1.38 0.00 0.00 54.79 52.77 2f7i n ASP 99 Cb 0.48 -0.20 0.02 0.00 -1.04 0.00 0.00 41.12 40.38 2f7i n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2f7i n SER 100 N -1.17 3.53 0.00 1.67 7.64 -1.26 -5.10 113.62 118.92 2f7i n SER 100 Ca 0.15 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.81 2f7i n SER 100 Cb 0.24 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2f7i n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f7i n GLY 101 N -0.47 -0.93 3.74 0.23 0.00 -1.03 -4.95 105.19 101.79 2f7i n GLY 101 Ca 0.28 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 2f7i n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f7i s PRO 102 N -1.62 4.23 0.23 1.61 0.05 -1.26 -4.33 135.00 133.90 2f7i s PRO 102 Ca 0.00 2.37 0.03 0.00 0.05 0.00 0.00 61.00 63.45 2f7i s PRO 102 Cb 0.00 -3.09 -0.05 0.00 0.05 0.00 0.00 34.50 31.41 2f7i s PRO 102 CO 0.00 -0.48 -0.00 1.03 0.05 0.00 0.00 177.00 177.60 2f7i s ARG 103 N -0.32 1.33 -0.14 4.56 1.81 -1.26 -4.88 118.95 120.04 2f7i s ARG 103 Ca 0.61 -1.67 -0.04 0.00 -1.72 0.00 0.00 55.73 52.90 2f7i s ARG 103 Cb -0.43 -0.61 -0.03 0.00 -0.45 0.00 0.00 34.95 33.43 2f7i s ARG 103 CO 0.44 -0.10 0.00 1.03 -0.68 0.00 0.00 175.30 175.99 2f7i s ARG 104 N -3.86 3.58 -0.09 3.54 0.52 -0.18 -4.84 118.95 117.61 2f7i s ARG 104 Ca 0.28 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.09 2f7i s ARG 104 Cb 0.06 -2.97 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 2f7i s ARG 104 CO 0.09 0.38 -0.24 0.71 0.02 0.00 0.00 175.30 176.25 2f7i s TYR 105 N 0.03 2.52 -0.17 -0.53 1.51 0.67 -1.47 117.35 119.90 2f7i s TYR 105 Ca 0.02 -0.99 -0.01 0.00 -1.01 0.00 0.00 57.07 55.08 2f7i s TYR 105 Cb -0.13 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2f7i s TYR 105 CO 0.02 -0.39 -0.12 0.99 -1.11 0.00 0.00 175.55 174.94 2f7i s THR 106 N 0.28 2.95 -0.27 -0.71 2.01 -0.29 -1.18 115.64 118.41 2f7i s THR 106 Ca -0.17 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.08 2f7i s THR 106 Cb -0.17 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 2f7i s THR 106 CO 0.08 0.49 0.12 -0.63 -0.69 0.00 0.00 174.62 173.99 2f7i s ILE 107 N 0.91 4.62 0.01 1.82 -1.09 -0.19 -1.20 121.20 126.08 2f7i s ILE 107 Ca -0.03 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 2f7i s ILE 107 Cb -0.15 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 2f7i s ILE 107 CO -0.01 0.25 -0.10 0.00 -1.23 0.00 0.00 174.94 173.85 2f7i s ALA 108 N 1.65 2.89 0.00 9.38 0.00 -0.39 -0.66 121.76 134.63 2f7i s ALA 108 Ca 0.06 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2f7i s ALA 108 Cb -0.16 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 2f7i s ALA 108 CO 0.06 0.60 -0.03 0.00 0.00 0.00 0.00 175.76 176.39 2f7i s ALA 109 N -0.95 0.20 -0.15 0.00 0.00 0.22 -1.58 121.76 119.51 2f7i s ALA 109 Ca 0.16 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.96 2f7i s ALA 109 Cb -0.11 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2f7i s ALA 109 CO 0.06 0.02 -0.20 -1.17 0.00 0.00 0.00 175.76 174.48 2f7i s LEU 110 N -0.26 2.02 -0.09 0.00 2.96 -0.25 -0.84 118.68 122.22 2f7i s LEU 110 Ca -0.01 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 2f7i s LEU 110 Cb -0.02 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2f7i s LEU 110 CO -0.00 0.03 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.18 2f7i s LEU 111 N 1.07 2.84 0.15 -0.68 1.43 -0.25 -1.30 118.68 121.94 2f7i s LEU 111 Ca -0.02 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2f7i s LEU 111 Cb -0.14 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2f7i s LEU 111 CO -0.06 0.27 -0.10 -0.44 0.23 0.00 0.00 176.35 176.24 2f7i s SER 112 N -0.25 1.78 0.40 2.29 0.01 0.11 -1.02 113.70 117.02 2f7i s SER 112 Ca 0.02 -1.02 0.14 0.00 1.31 0.00 0.00 55.95 56.40 2f7i s SER 112 Cb -0.13 -0.01 1.00 0.00 0.21 0.00 0.00 66.02 67.09 2f7i s SER 112 CO 0.03 -0.34 1.88 -0.65 0.41 0.00 0.00 173.24 174.56 2f7i h PRO 113 N 2.77 0.48 -0.12 12.44 0.11 -1.99 -2.91 132.00 142.78 2f7i h PRO 113 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2f7i h PRO 113 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2f7i h PRO 113 CO 0.64 0.32 0.00 0.66 -0.21 0.00 0.00 178.00 179.40 2f7i n TYR 114 N -4.52 0.29 -3.56 0.65 4.02 -1.26 -0.96 117.16 111.81 2f7i n TYR 114 Ca 0.17 -0.76 -0.17 0.00 -0.01 0.00 0.00 57.90 57.14 2f7i n TYR 114 Cb 0.59 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.70 2f7i n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2f7i s SER 115 N -1.86 -0.67 0.07 7.72 0.15 -1.10 -4.95 113.70 113.05 2f7i s SER 115 Ca 0.24 0.94 -0.06 0.00 0.70 0.00 0.00 55.95 57.77 2f7i s SER 115 Cb 0.19 0.83 -0.01 0.00 -1.71 0.00 0.00 66.02 65.33 2f7i s SER 115 CO 0.06 -0.48 0.13 -0.72 1.20 0.00 0.00 173.24 173.42 2f7i s TYR 116 N -0.67 0.24 0.06 3.44 1.13 -1.26 -0.71 117.35 119.58 2f7i s TYR 116 Ca -0.07 -0.68 0.07 0.00 -1.41 0.00 0.00 57.07 54.98 2f7i s TYR 116 Cb -0.02 -0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.67 2f7i s TYR 116 CO 0.07 -0.48 -0.20 0.45 -2.51 0.00 0.00 175.55 172.88 2f7i s SER 117 N -2.76 2.37 0.01 -0.18 0.15 -0.42 -4.98 113.70 107.88 2f7i s SER 117 Ca 0.04 -0.57 -0.00 0.00 0.70 0.00 0.00 55.95 56.12 2f7i s SER 117 Cb 0.05 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2f7i s SER 117 CO -0.10 0.11 -0.01 0.28 1.20 0.00 0.00 173.24 174.72 2f7i s THR 118 N -0.93 0.04 0.11 6.45 -1.32 -1.26 -1.09 115.64 117.64 2f7i s THR 118 Ca 0.06 -0.33 -0.00 0.00 -1.21 0.00 0.00 61.69 60.21 2f7i s THR 118 Cb -0.09 -0.11 -0.04 0.00 -1.51 0.00 0.00 72.50 70.75 2f7i s THR 118 CO 0.02 -0.18 -0.00 0.28 -2.21 0.00 0.00 174.62 172.53 2f7i s THR 119 N -0.53 0.34 -0.03 5.08 -1.32 -0.61 -5.00 115.64 113.56 2f7i s THR 119 Ca -0.06 -1.89 0.06 0.00 -1.21 0.00 0.00 61.69 58.59 2f7i s THR 119 Cb -0.04 -1.83 -0.01 0.00 -1.51 0.00 0.00 72.50 69.11 2f7i s THR 119 CO -0.00 -0.71 -0.22 0.00 -2.21 0.00 0.00 174.62 171.47 2f7i s ALA 120 N -3.87 1.90 -0.21 11.08 0.00 -1.26 -1.27 121.76 128.14 2f7i s ALA 120 Ca 0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2f7i s ALA 120 Cb 0.07 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2f7i s ALA 120 CO -0.03 0.42 -0.13 0.08 0.00 0.00 0.00 175.76 176.11 2f7i s VAL 121 N -0.36 2.57 -0.17 0.00 1.01 -0.34 -4.99 120.40 118.13 2f7i s VAL 121 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2f7i s VAL 121 Cb -0.10 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.11 2f7i s VAL 121 CO 0.01 0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 174.66 2f7i s VAL 122 N 1.34 2.37 0.20 2.92 1.01 -1.26 -1.14 120.40 125.84 2f7i s VAL 122 Ca 0.04 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2f7i s VAL 122 Cb -0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2f7i s VAL 122 CO -0.08 0.52 -0.17 0.42 0.00 0.00 0.00 175.10 175.79 2f7i s THR 123 N 1.06 1.90 -1.47 3.92 -4.23 -0.55 -4.97 115.64 111.30 2f7i s THR 123 Ca -0.01 -2.13 0.12 0.00 -1.18 0.00 0.00 61.69 58.49 2f7i s THR 123 Cb -0.14 -2.01 0.09 0.00 1.34 0.00 0.00 72.50 71.78 2f7i s THR 123 CO -0.06 -0.46 0.87 -3.20 -0.54 0.00 0.00 174.62 171.24