#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f16 s ASP -7 N 0.00 6.23 0.66 6.43 3.68 -1.26 -4.90 116.67 127.50 2f16 s ASP -7 Ca 0.00 -0.90 0.21 0.00 2.13 0.00 0.00 52.55 53.99 2f16 s ASP -7 Cb 0.00 -2.35 1.12 0.00 -1.45 0.00 0.00 42.92 40.24 2f16 s ASP -7 CO 0.00 -1.11 1.63 -0.65 0.13 0.00 0.00 175.17 175.16 2f16 h PRO -6 N 9.21 0.00 -0.27 4.34 0.11 -2.02 0.37 132.00 143.74 2f16 h PRO -6 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2f16 h PRO -6 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2f16 h PRO -6 CO 1.06 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.28 2f16 n SER -5 N -2.86 2.19 -0.19 -2.05 7.64 -1.26 -3.43 113.62 113.66 2f16 n SER -5 Ca 0.00 -1.84 0.02 0.00 1.01 0.00 0.00 58.87 58.07 2f16 n SER -5 Cb 0.63 -0.18 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2f16 n SER -5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2f16 n SER -4 N 0.67 0.88 -0.05 6.43 7.64 0.13 -4.66 113.62 124.66 2f16 n SER -4 Ca 0.16 -1.99 -0.21 0.00 1.01 0.00 0.00 58.87 57.84 2f16 n SER -4 Cb 0.40 -0.17 -0.13 0.00 -1.01 0.00 0.00 64.21 63.30 2f16 n SER -4 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2f16 h ILE -3 N 3.17 1.02 0.10 0.44 2.04 -1.69 -3.42 117.51 119.17 2f16 h ILE -3 Ca 0.00 -2.29 -0.35 0.00 1.00 0.00 0.00 64.86 63.22 2f16 h ILE -3 Cb 1.05 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.65 2f16 h ILE -3 CO 0.00 0.54 -1.94 0.59 0.00 0.00 0.00 178.15 177.34 2f16 n ASN -2 N -4.18 1.85 0.00 1.72 5.03 -1.26 -1.22 115.26 117.20 2f16 n ASN -2 Ca -0.27 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.43 2f16 n ASN -2 Cb 0.77 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 2f16 n ASN -2 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2f16 n GLY -1 N 1.90 -2.04 0.00 7.41 0.00 -1.26 -1.91 105.19 109.30 2f16 n GLY -1 Ca -0.29 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2f16 n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f16 n GLY 1 N -2.26 4.06 3.16 -0.02 0.00 -1.17 -4.73 105.19 104.23 2f16 n GLY 1 Ca 0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 2f16 n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f16 s ILE 2 N -2.17 0.15 -0.11 -0.61 -4.36 -1.26 -1.44 121.20 111.39 2f16 s ILE 2 Ca 0.00 -1.22 -0.11 0.00 -0.26 0.00 0.00 60.65 59.06 2f16 s ILE 2 Cb 0.00 -1.21 0.03 0.00 1.25 0.00 0.00 42.46 42.53 2f16 s ILE 2 CO 0.00 -0.67 0.31 -0.69 0.24 0.00 0.00 174.94 174.13 2f16 s VAL 3 N -3.41 0.00 -0.03 8.37 1.01 -0.58 -2.42 120.40 123.34 2f16 s VAL 3 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2f16 s VAL 3 Cb 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2f16 s VAL 3 CO -0.08 -0.01 0.16 0.54 0.00 0.00 0.00 175.10 175.70 2f16 s VAL 4 N 0.11 0.04 0.01 2.92 0.11 -0.32 -1.04 120.40 122.24 2f16 s VAL 4 Ca -0.00 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 2f16 s VAL 4 Cb -0.02 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 2f16 s VAL 4 CO 0.01 -0.18 -0.07 0.00 -3.33 0.00 0.00 175.10 171.53 2f16 s ALA 5 N -0.61 0.53 0.06 1.54 0.00 -0.39 -0.24 121.76 122.65 2f16 s ALA 5 Ca -0.07 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2f16 s ALA 5 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2f16 s ALA 5 CO 0.01 0.09 -0.07 -1.64 0.00 0.00 0.00 175.76 174.15 2f16 s MET 6 N -0.51 0.62 -0.07 0.00 -1.94 0.20 -1.20 119.30 116.40 2f16 s MET 6 Ca -0.01 -0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 53.00 2f16 s MET 6 Cb -0.04 -0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.55 2f16 s MET 6 CO -0.00 0.01 0.00 0.95 -0.01 0.00 0.00 175.02 175.97 2f16 s THR 7 N -2.25 4.27 0.00 2.05 -4.23 -0.62 -0.50 115.64 114.37 2f16 s THR 7 Ca -0.02 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2f16 s THR 7 Cb -0.04 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2f16 s THR 7 CO -0.02 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 2f16 n GLY 8 N 1.99 6.14 3.56 3.99 0.00 -0.38 -4.68 105.19 115.81 2f16 n GLY 8 Ca -0.18 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 2f16 n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f16 s LYS 9 N 1.34 3.47 -1.98 1.61 2.47 0.24 -3.82 119.74 123.07 2f16 s LYS 9 Ca 0.00 0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.51 2f16 s LYS 9 Cb 0.00 -4.01 0.00 0.00 -1.46 0.00 0.00 37.83 32.36 2f16 s LYS 9 CO 0.00 -1.53 0.00 -0.25 0.16 0.00 0.00 175.35 173.73 2f16 n ASP 10 N 7.91 -5.65 -3.96 1.43 10.43 -1.26 -4.65 116.55 120.79 2f16 n ASP 10 Ca 0.06 0.26 -0.09 0.00 2.57 0.00 0.00 54.79 57.59 2f16 n ASP 10 Cb 0.48 -4.82 -0.05 0.00 1.84 0.00 0.00 41.12 38.58 2f16 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2f16 s VAL 12 N -3.99 0.12 0.02 0.00 -7.23 -0.33 -1.25 120.40 107.73 2f16 s VAL 12 Ca 0.20 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 2f16 s VAL 12 Cb -0.02 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 2f16 s VAL 12 CO 0.08 -0.56 -0.06 0.00 -0.31 0.00 0.00 175.10 174.25 2f16 s ALA 13 N -2.60 0.49 -0.04 1.32 0.00 0.35 0.17 121.76 121.45 2f16 s ALA 13 Ca -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2f16 s ALA 13 Cb -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.11 2f16 s ALA 13 CO -0.04 0.04 0.09 -1.50 0.00 0.00 0.00 175.76 174.35 2f16 s ILE 14 N -0.77 -0.05 0.12 0.00 2.07 -0.62 -0.63 121.20 121.32 2f16 s ILE 14 Ca -0.04 0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.42 2f16 s ILE 14 Cb -0.06 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 2f16 s ILE 14 CO 0.00 0.08 -0.08 0.00 -1.91 0.00 0.00 174.94 173.03 2f16 s ALA 15 N 1.09 1.18 0.12 1.50 0.00 0.66 -1.10 121.76 125.22 2f16 s ALA 15 Ca -0.09 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 2f16 s ALA 15 Cb -0.12 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2f16 s ALA 15 CO -0.04 -0.16 0.28 0.00 0.00 0.00 0.00 175.76 175.83 2f16 s ASP 17 N -2.87 4.63 0.00 0.00 3.84 -1.02 -1.27 116.67 119.98 2f16 s ASP 17 Ca 0.08 -0.12 0.09 0.00 -0.00 0.00 0.00 52.55 52.59 2f16 s ASP 17 Cb 0.03 -0.43 0.08 0.00 -1.38 0.00 0.00 42.92 41.23 2f16 s ASP 17 CO -0.08 -1.66 0.81 0.18 -0.00 0.00 0.00 175.17 174.42 2f16 n LEU 18 N -2.74 1.80 -4.77 2.11 4.77 -0.03 -4.44 117.00 113.69 2f16 n LEU 18 Ca 0.12 -1.05 -0.37 0.00 -0.03 0.00 0.00 56.01 54.68 2f16 n LEU 18 Cb 0.60 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2f16 n LEU 18 CO 0.45 0.36 0.83 -0.60 -1.33 0.00 0.00 177.39 177.10 2f16 s ARG 19 N -0.76 3.76 -0.23 3.23 3.52 -0.93 -1.35 118.95 126.19 2f16 s ARG 19 Ca 0.11 1.79 -0.03 0.00 -0.13 0.00 0.00 55.73 57.47 2f16 s ARG 19 Cb 0.08 -2.42 0.12 0.00 -1.56 0.00 0.00 34.95 31.16 2f16 s ARG 19 CO 0.11 -0.55 0.30 -1.17 -0.81 0.00 0.00 175.30 173.18 2f16 s LEU 20 N -3.00 -0.35 0.00 -0.88 1.98 -0.61 -4.69 118.68 111.14 2f16 s LEU 20 Ca 0.63 -0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.75 2f16 s LEU 20 Cb -0.29 0.70 -0.00 0.00 0.66 0.00 0.00 46.19 47.26 2f16 s LEU 20 CO 0.35 -0.33 0.02 0.61 -1.89 0.00 0.00 176.35 175.11 2f16 n GLY 21 N 5.34 3.99 2.52 7.98 0.00 -0.80 -1.07 105.19 123.15 2f16 n GLY 21 Ca -0.04 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 2f16 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f16 s SER 22 N -1.54 3.03 1.53 1.61 0.15 0.31 -4.08 113.70 114.72 2f16 s SER 22 Ca 0.02 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.29 2f16 s SER 22 Cb 0.00 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2f16 s SER 22 CO 0.02 -0.29 0.00 0.00 1.20 0.00 0.00 173.24 174.17 2f16 n GLN 23 N 3.80 0.00 0.09 5.44 1.13 -0.36 -2.69 117.38 124.79 2f16 n GLN 23 Ca 0.13 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.11 2f16 n GLN 23 Cb 0.37 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.69 2f16 n GLN 23 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2f16 h SER 24 N 0.00 0.14 -2.82 1.08 4.64 -1.96 -3.45 113.55 111.18 2f16 h SER 24 Ca 0.00 -0.13 -0.56 0.00 -0.47 0.00 0.00 61.79 60.64 2f16 h SER 24 Cb 0.00 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2f16 h SER 24 CO 0.00 0.98 0.94 -0.22 -0.87 0.00 0.00 176.83 177.66 2f16 s LEU 25 N -7.18 4.25 0.21 5.97 2.96 -1.09 -5.01 118.68 118.79 2f16 s LEU 25 Ca -0.01 1.94 -0.30 0.00 -0.22 0.00 0.00 54.13 55.53 2f16 s LEU 25 Cb 0.10 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.17 2f16 s LEU 25 CO 0.82 -0.80 0.95 -0.83 -1.32 0.00 0.00 176.35 175.17 2f16 s GLY 26 N 2.36 3.09 -0.03 7.98 0.00 -1.26 -0.53 107.32 118.93 2f16 s GLY 26 Ca 0.62 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.94 2f16 s GLY 26 CO 0.22 1.26 -0.04 -0.62 0.00 0.00 0.00 173.10 173.91 2f16 n VAL 27 N 1.80 0.19 -4.21 1.40 0.31 -0.27 -4.89 118.33 112.66 2f16 n VAL 27 Ca -0.01 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 2f16 n VAL 27 Cb 0.48 -1.24 -0.13 0.00 -0.91 0.00 0.00 33.84 32.03 2f16 n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2f16 s SER 28 N -4.99 1.03 -0.21 4.52 0.15 -0.23 -5.02 113.70 108.95 2f16 s SER 28 Ca -0.05 -0.34 0.11 0.00 0.70 0.00 0.00 55.95 56.37 2f16 s SER 28 Cb 0.02 -0.05 0.42 0.00 -1.71 0.00 0.00 66.02 64.69 2f16 s SER 28 CO 0.07 -0.02 1.22 -0.46 1.20 0.00 0.00 173.24 175.24 2f16 n ASN 29 N 2.19 1.74 -0.35 5.45 2.04 -1.26 -1.57 115.26 123.50 2f16 n ASN 29 Ca -0.17 -3.90 0.02 0.00 -0.44 0.00 0.00 54.58 50.08 2f16 n ASN 29 Cb 0.56 -0.53 0.02 0.00 -2.53 0.00 0.00 39.78 37.31 2f16 n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2f16 n LYS 30 N -1.11 0.31 -2.65 -3.83 5.02 -1.16 -4.77 118.16 109.97 2f16 n LYS 30 Ca 0.19 -1.23 -0.42 0.00 -2.02 0.00 0.00 58.31 54.84 2f16 n LYS 30 Cb 0.69 -0.69 -0.03 0.00 -0.02 0.00 0.00 35.03 34.99 2f16 n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2f16 s PHE 31 N -0.53 2.67 0.38 2.13 5.36 -0.46 -4.99 117.98 122.54 2f16 s PHE 31 Ca 0.06 -0.98 -0.25 0.00 -0.96 0.00 0.00 56.93 54.80 2f16 s PHE 31 Cb 0.05 -4.60 -0.09 0.00 -0.34 0.00 0.00 43.02 38.03 2f16 s PHE 31 CO 0.01 -1.83 1.04 -1.21 -1.46 0.00 0.00 175.22 171.76 2f16 s GLU 32 N 4.43 4.27 -0.03 10.12 2.02 -1.26 -4.40 118.70 133.85 2f16 s GLU 32 Ca 0.43 1.51 0.10 0.00 0.02 0.00 0.00 54.97 57.03 2f16 s GLU 32 Cb -0.01 -2.63 0.27 0.00 0.10 0.00 0.00 34.13 31.86 2f16 s GLU 32 CO -0.10 -0.05 1.22 1.63 0.02 0.00 0.00 175.26 177.98 2f16 n LYS 33 N 0.12 2.84 -4.89 1.61 5.02 -1.26 -4.96 118.16 116.64 2f16 n LYS 33 Ca 0.04 -2.07 -0.33 0.00 -2.02 0.00 0.00 58.31 53.93 2f16 n LYS 33 Cb 0.49 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 2f16 n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2f16 s ILE 34 N -1.34 2.38 0.32 -0.18 -1.09 -1.26 -0.44 121.20 119.57 2f16 s ILE 34 Ca 0.21 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 2f16 s ILE 34 Cb 0.13 -1.95 -0.06 0.00 -1.58 0.00 0.00 42.46 39.00 2f16 s ILE 34 CO 0.11 0.54 0.06 -0.36 -1.23 0.00 0.00 174.94 174.06 2f16 s PHE 35 N 0.53 1.91 -0.07 3.97 0.40 0.10 -4.97 117.98 119.86 2f16 s PHE 35 Ca -0.12 -0.98 -0.16 0.00 -0.60 0.00 0.00 56.93 55.06 2f16 s PHE 35 Cb -0.17 -1.23 0.03 0.00 0.51 0.00 0.00 43.02 42.16 2f16 s PHE 35 CO 0.04 -0.03 0.37 -3.38 0.70 0.00 0.00 175.22 172.92 2f16 s HIS 36 N -3.35 -0.31 -0.23 0.36 -3.43 -1.26 0.53 115.29 107.59 2f16 s HIS 36 Ca 0.37 0.63 0.01 0.00 -0.80 0.00 0.00 55.06 55.27 2f16 s HIS 36 Cb 0.09 0.14 0.06 0.00 -1.43 0.00 0.00 32.58 31.43 2f16 s HIS 36 CO 0.15 -0.34 -0.07 0.71 -2.00 0.00 0.00 174.74 173.19 2f16 s TYR 38 N -0.75 2.48 0.00 0.38 2.02 0.44 -4.96 117.35 116.96 2f16 s TYR 38 Ca -0.08 -1.77 0.00 0.00 -0.37 0.00 0.00 57.07 54.85 2f16 s TYR 38 Cb -0.04 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 2f16 s TYR 38 CO 0.03 -0.78 0.00 0.41 -1.57 0.00 0.00 175.55 173.65 2f16 n GLY 39 N 4.65 2.51 0.94 0.71 0.00 -1.26 -1.63 105.19 111.12 2f16 n GLY 39 Ca -0.13 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.65 2f16 n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2f16 n HIS 40 N 13.38 0.58 -3.59 1.61 1.44 -1.26 -4.88 115.22 122.50 2f16 n HIS 40 Ca 0.00 -0.29 -0.37 0.00 -2.01 0.00 0.00 57.72 55.05 2f16 n HIS 40 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 2f16 n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2f16 s VAL 41 N -1.42 5.32 -0.07 0.61 1.01 -0.64 -4.51 120.40 120.69 2f16 s VAL 41 Ca 0.36 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 2f16 s VAL 41 Cb 0.19 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2f16 s VAL 41 CO 0.26 0.32 0.08 -0.36 0.00 0.00 0.00 175.10 175.40 2f16 s PHE 42 N 1.11 3.36 -0.05 5.22 0.40 -0.27 -0.42 117.98 127.32 2f16 s PHE 42 Ca 0.11 0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.74 2f16 s PHE 42 Cb -0.14 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.59 2f16 s PHE 42 CO 0.05 0.59 0.01 -1.17 0.70 0.00 0.00 175.22 175.40 2f16 s LEU 43 N -1.21 0.65 -0.04 -0.37 2.96 0.19 -1.39 118.68 119.46 2f16 s LEU 43 Ca 0.17 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2f16 s LEU 43 Cb -0.12 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 2f16 s LEU 43 CO 0.07 -0.18 0.05 -0.83 -1.32 0.00 0.00 176.35 174.13 2f16 s GLY 44 N 1.75 1.95 -0.09 7.98 0.00 -0.13 0.03 107.32 118.80 2f16 s GLY 44 Ca 0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.87 2f16 s GLY 44 CO -0.04 -0.68 -0.05 -0.42 0.00 0.00 0.00 173.10 171.91 2f16 s ILE 45 N -1.06 0.80 0.31 0.90 1.09 0.41 -0.98 121.20 122.67 2f16 s ILE 45 Ca 0.19 -0.16 0.08 0.00 -1.10 0.00 0.00 60.65 59.65 2f16 s ILE 45 Cb -0.12 -0.86 -0.03 0.00 -1.06 0.00 0.00 42.46 40.39 2f16 s ILE 45 CO 0.09 0.33 0.22 0.42 -0.10 0.00 0.00 174.94 175.89 2f16 s THR 46 N 1.67 3.70 -0.89 2.92 -4.23 -1.09 -4.81 115.64 112.91 2f16 s THR 46 Ca 0.03 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2f16 s THR 46 Cb -0.13 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2f16 s THR 46 CO -0.06 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 2f16 n GLY 47 N -1.25 0.48 3.66 3.99 0.00 -1.26 0.30 105.19 111.11 2f16 n GLY 47 Ca -0.04 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 2f16 n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f16 s LEU 48 N 0.00 4.35 0.25 0.99 2.96 0.06 -4.58 118.68 122.71 2f16 s LEU 48 Ca 0.00 2.41 -0.02 0.00 -0.22 0.00 0.00 54.13 56.29 2f16 s LEU 48 Cb 0.00 -3.53 0.51 0.00 0.50 0.00 0.00 46.19 43.67 2f16 s LEU 48 CO 0.00 -1.01 1.74 0.00 -1.32 0.00 0.00 176.35 175.76 2f16 h ALA 49 N 10.11 1.16 -0.17 5.97 0.00 -1.89 -0.79 119.26 133.65 2f16 h ALA 49 Ca -0.44 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2f16 h ALA 49 Cb 1.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2f16 h ALA 49 CO 0.95 -0.19 0.09 0.00 0.00 0.00 0.00 179.25 180.10 2f16 h THR 50 N 0.49 1.06 0.14 0.00 1.03 -1.98 -0.57 112.91 113.08 2f16 h THR 50 Ca 0.44 -0.16 -0.30 0.00 -0.01 0.00 0.00 66.41 66.39 2f16 h THR 50 Cb 0.68 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 2f16 h THR 50 CO -0.41 0.07 -1.39 0.44 -0.01 0.00 0.00 175.52 174.22 2f16 h ASP 51 N 0.24 0.46 -0.73 0.00 3.45 -1.58 -1.70 116.42 116.57 2f16 h ASP 51 Ca 0.06 -0.55 0.07 0.00 0.43 0.00 0.00 57.03 57.04 2f16 h ASP 51 Cb 0.02 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 38.57 2f16 h ASP 51 CO -0.01 1.44 0.41 0.58 -1.57 0.00 0.00 179.24 180.09 2f16 h VAL 52 N 0.08 0.96 0.05 -1.35 2.07 -0.42 0.26 116.25 117.91 2f16 h VAL 52 Ca -0.19 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2f16 h VAL 52 Cb 2.01 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2f16 h VAL 52 CO 0.20 0.14 -0.02 0.74 0.02 0.00 0.00 177.57 178.64 2f16 h THR 53 N 0.75 1.22 -0.58 2.57 2.02 -1.14 -2.66 112.91 115.08 2f16 h THR 53 Ca 0.33 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.65 2f16 h THR 53 Cb 0.22 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 2f16 h THR 53 CO -0.20 0.23 0.26 0.74 0.37 0.00 0.00 175.52 176.93 2f16 h THR 54 N -0.48 0.87 -0.77 3.16 2.02 -0.86 -1.65 112.91 115.21 2f16 h THR 54 Ca -0.01 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2f16 h THR 54 Cb 0.43 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2f16 h THR 54 CO 0.01 0.09 0.33 -0.07 0.37 0.00 0.00 175.52 176.25 2f16 h LEU 55 N 0.48 1.05 -0.45 2.58 3.38 -0.53 0.24 115.31 122.06 2f16 h LEU 55 Ca 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2f16 h LEU 55 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2f16 h LEU 55 CO -0.23 0.92 0.26 -1.13 0.09 0.00 0.00 178.44 178.35 2f16 h ASN 56 N 1.11 0.55 -0.65 -0.43 -1.24 -1.04 0.63 115.58 114.51 2f16 h ASN 56 Ca 0.26 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 2f16 h ASN 56 Cb 0.19 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2f16 h ASN 56 CO -0.02 0.46 0.33 -0.33 -1.29 0.00 0.00 177.43 176.58 2f16 h GLU 57 N 0.59 0.94 -0.09 6.67 5.08 -0.95 -1.23 114.58 125.59 2f16 h GLU 57 Ca 0.16 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2f16 h GLU 57 Cb 0.03 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2f16 h GLU 57 CO -0.03 0.72 0.01 1.98 -1.00 0.00 0.00 179.01 180.69 2f16 h MET 58 N 0.94 0.15 0.00 2.33 4.05 -0.13 -2.29 114.93 119.98 2f16 h MET 58 Ca 0.23 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.56 2f16 h MET 58 Cb 0.08 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2f16 h MET 58 CO -0.03 0.36 -0.27 0.74 0.23 0.00 0.00 176.91 177.93 2f16 h PHE 59 N -0.09 0.00 -0.07 1.39 0.05 -0.62 0.14 116.94 117.74 2f16 h PHE 59 Ca 0.03 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 2f16 h PHE 59 Cb 0.28 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.23 2f16 h PHE 59 CO 0.02 0.27 -0.01 -0.09 -0.18 0.00 0.00 178.31 178.32 2f16 h ARG 60 N 0.00 0.12 -0.20 1.51 2.43 -1.16 0.70 114.38 117.79 2f16 h ARG 60 Ca -0.00 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2f16 h ARG 60 Cb 0.63 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 2f16 h ARG 60 CO 0.04 0.43 -0.17 -0.92 -1.51 0.00 0.00 179.97 177.84 2f16 h TYR 61 N -0.20 -0.44 -0.35 2.20 5.03 -0.94 -0.26 116.97 122.02 2f16 h TYR 61 Ca 0.02 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.25 2f16 h TYR 61 Cb 0.38 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 2f16 h TYR 61 CO 0.05 -0.24 -0.18 0.87 -1.32 0.00 0.00 178.16 177.33 2f16 h LYS 62 N -0.18 0.74 0.00 1.82 1.57 -0.91 -2.70 116.57 116.91 2f16 h LYS 62 Ca 0.12 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2f16 h LYS 62 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2f16 h LYS 62 CO -0.31 0.94 -0.27 1.79 -0.57 0.00 0.00 179.45 181.04 2f16 h THR 63 N 0.52 0.94 0.28 -0.16 1.35 -0.70 -1.12 112.91 114.02 2f16 h THR 63 Ca 0.08 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 2f16 h THR 63 Cb 0.73 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2f16 h THR 63 CO 0.05 0.26 -0.13 0.78 -0.25 0.00 0.00 175.52 176.23 2f16 h ASN 64 N 0.00 -0.32 -0.29 5.36 2.35 -0.88 -1.15 115.58 120.66 2f16 h ASN 64 Ca -0.00 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2f16 h ASN 64 Cb 0.56 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2f16 h ASN 64 CO 0.03 0.04 0.17 -0.07 -1.65 0.00 0.00 177.43 175.96 2f16 h LEU 65 N -0.70 0.37 -0.19 1.61 3.38 -1.37 -2.03 115.31 116.38 2f16 h LEU 65 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2f16 h LEU 65 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2f16 h LEU 65 CO 0.06 0.30 0.09 0.22 0.09 0.00 0.00 178.44 179.20 2f16 h TYR 66 N 0.43 0.28 -0.49 1.13 5.03 -0.99 -2.11 116.97 120.25 2f16 h TYR 66 Ca 0.11 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 2f16 h TYR 66 Cb 0.01 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 2f16 h TYR 66 CO 0.00 0.30 0.16 -0.22 -1.32 0.00 0.00 178.16 177.08 2f16 h LYS 67 N 0.18 0.72 -0.25 1.82 3.64 -0.67 0.13 116.57 122.15 2f16 h LYS 67 Ca 0.07 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2f16 h LYS 67 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2f16 h LYS 67 CO -0.01 0.62 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.43 2f16 h LEU 68 N 0.71 0.51 0.03 5.20 3.38 -1.12 0.25 115.31 124.27 2f16 h LEU 68 Ca 0.17 -0.19 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 2f16 h LEU 68 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2f16 h LEU 68 CO -0.01 0.79 -1.20 0.11 0.09 0.00 0.00 178.44 178.22 2f16 h LYS 69 N 0.43 0.06 0.00 1.13 1.57 -1.02 -3.37 116.57 115.38 2f16 h LYS 69 Ca 0.06 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2f16 h LYS 69 Cb 0.74 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2f16 h LYS 69 CO 0.06 1.05 -0.09 0.93 -0.57 0.00 0.00 179.45 180.83 2f16 h GLU 70 N -0.78 0.00 -5.94 3.15 4.39 -0.85 -3.47 114.58 111.08 2f16 h GLU 70 Ca -0.31 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 58.98 2f16 h GLU 70 Cb 1.41 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 30.16 2f16 h GLU 70 CO -0.11 0.09 -0.71 0.39 -1.16 0.00 0.00 179.01 177.51 2f16 n GLU 71 N -3.17 -7.34 -3.56 2.33 1.02 0.07 -4.97 120.64 105.02 2f16 n GLU 71 Ca 0.02 0.78 -0.07 0.00 -0.02 0.00 0.00 57.16 57.87 2f16 n GLU 71 Cb 0.44 -5.79 -0.02 0.00 -0.02 0.00 0.00 31.44 26.05 2f16 n GLU 71 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2f16 s ARG 72 N -6.31 0.86 0.18 3.49 1.70 -1.22 -5.06 118.95 112.59 2f16 s ARG 72 Ca 0.56 -0.36 -0.27 0.00 -0.47 0.00 0.00 55.73 55.18 2f16 s ARG 72 Cb -0.25 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.41 2f16 s ARG 72 CO 0.75 -0.38 0.85 0.00 -1.08 0.00 0.00 175.30 175.44 2f16 s ALA 73 N -3.11 3.39 0.57 7.88 0.00 -1.26 -4.18 121.76 125.05 2f16 s ALA 73 Ca 0.07 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 2f16 s ALA 73 Cb -0.01 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2f16 s ALA 73 CO -0.06 0.23 1.28 -1.50 0.00 0.00 0.00 175.76 175.70 2f16 s ILE 74 N -1.00 2.37 0.19 0.00 2.07 -1.26 -5.02 121.20 118.55 2f16 s ILE 74 Ca 0.39 0.26 0.04 0.00 -1.41 0.00 0.00 60.65 59.92 2f16 s ILE 74 Cb -0.24 -3.12 -0.03 0.00 0.13 0.00 0.00 42.46 39.20 2f16 s ILE 74 CO 0.28 -0.03 0.30 -1.61 -1.91 0.00 0.00 174.94 171.97 2f16 s GLU 75 N -3.09 3.36 0.20 3.50 0.41 -1.26 -4.73 118.70 117.09 2f16 s GLU 75 Ca 0.74 -0.71 -0.20 0.00 -0.41 0.00 0.00 54.97 54.39 2f16 s GLU 75 Cb -0.35 -2.89 0.16 0.00 -1.78 0.00 0.00 34.13 29.27 2f16 s GLU 75 CO 0.40 0.47 1.58 -1.35 -0.49 0.00 0.00 175.26 175.87 2f16 h PRO 76 N 1.74 -0.12 -0.34 0.39 0.11 -1.94 0.12 132.00 131.96 2f16 h PRO 76 Ca -0.50 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.66 2f16 h PRO 76 Cb 1.21 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2f16 h PRO 76 CO 0.65 -0.08 0.09 0.93 -0.21 0.00 0.00 178.00 179.38 2f16 h GLU 77 N -0.12 0.22 -0.34 1.05 3.07 -1.97 -0.67 114.58 115.82 2f16 h GLU 77 Ca 0.26 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 2f16 h GLU 77 Cb 0.56 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2f16 h GLU 77 CO -0.75 0.14 0.12 1.15 -1.40 0.00 0.00 179.01 178.27 2f16 h THR 78 N 0.22 1.20 -0.47 1.13 2.02 -1.72 -2.84 112.91 112.45 2f16 h THR 78 Ca 0.16 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.75 2f16 h THR 78 Cb 0.16 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2f16 h THR 78 CO -0.19 0.22 0.26 0.15 0.37 0.00 0.00 175.52 176.33 2f16 h PHE 79 N 0.40 0.49 -0.64 3.16 3.57 -0.76 -0.99 116.94 122.17 2f16 h PHE 79 Ca 0.11 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.76 2f16 h PHE 79 Cb 0.22 -0.15 -0.10 0.00 2.79 0.00 0.00 35.95 38.70 2f16 h PHE 79 CO 0.00 0.27 0.05 1.15 -2.23 0.00 0.00 178.31 177.55 2f16 h THR 80 N 0.53 0.51 -0.60 4.41 2.02 -0.93 0.30 112.91 119.15 2f16 h THR 80 Ca 0.19 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 2f16 h THR 80 Cb 0.05 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 2f16 h THR 80 CO -0.11 0.03 0.30 1.56 0.37 0.00 0.00 175.52 177.67 2f16 h GLN 81 N 0.16 0.86 -0.58 6.66 1.08 -1.13 -1.05 115.11 121.11 2f16 h GLN 81 Ca 0.34 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 2f16 h GLN 81 Cb 0.56 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 2f16 h GLN 81 CO -0.51 0.68 0.23 1.25 -0.95 0.00 0.00 178.83 179.53 2f16 h LEU 82 N 0.82 0.77 -0.17 1.46 5.85 0.50 -0.65 115.31 123.88 2f16 h LEU 82 Ca 0.21 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2f16 h LEU 82 Cb 0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2f16 h LEU 82 CO -0.03 0.69 0.00 0.58 -0.34 0.00 0.00 178.44 179.34 2f16 h VAL 83 N 0.83 1.25 0.11 1.05 2.07 -0.08 -1.28 116.25 120.20 2f16 h VAL 83 Ca 0.20 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2f16 h VAL 83 Cb 0.16 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2f16 h VAL 83 CO -0.02 0.25 -0.07 -1.28 0.02 0.00 0.00 177.57 176.47 2f16 h SER 84 N 0.04 -0.18 -0.29 0.57 0.87 -0.89 0.13 113.55 113.80 2f16 h SER 84 Ca 0.05 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2f16 h SER 84 Cb 0.38 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2f16 h SER 84 CO 0.01 -0.12 -0.03 0.77 -0.53 0.00 0.00 176.83 176.93 2f16 h SER 85 N -0.18 0.62 -0.64 6.23 4.64 -1.16 -1.68 113.55 121.39 2f16 h SER 85 Ca -0.01 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 2f16 h SER 85 Cb 0.16 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2f16 h SER 85 CO 0.00 0.71 0.08 0.28 -0.87 0.00 0.00 176.83 177.03 2f16 h SER 86 N 0.61 1.04 -0.26 4.97 0.02 -0.90 -2.52 113.55 116.51 2f16 h SER 86 Ca 0.12 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 2f16 h SER 86 Cb 0.43 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2f16 h SER 86 CO 0.02 1.05 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.48 2f16 h LEU 87 N 1.01 0.63 -2.11 5.07 3.38 -0.60 -3.04 115.31 119.65 2f16 h LEU 87 Ca 0.19 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2f16 h LEU 87 Cb 0.47 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2f16 h LEU 87 CO 0.02 0.96 -0.04 0.22 0.09 0.00 0.00 178.44 179.68 2f16 h TYR 88 N 0.32 0.00 0.00 1.13 3.20 -1.25 -1.84 116.97 118.53 2f16 h TYR 88 Ca 0.05 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2f16 h TYR 88 Cb 0.76 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 2f16 h TYR 88 CO 0.07 0.04 -0.00 1.49 -1.64 0.00 0.00 178.16 178.12 2f16 h GLU 89 N 0.00 0.00 -0.57 1.82 4.81 -1.32 0.59 114.58 119.91 2f16 h GLU 89 Ca -0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 2f16 h GLU 89 Cb 0.29 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.43 2f16 h GLU 89 CO 0.01 0.00 -0.17 0.54 -0.73 0.00 0.00 179.01 178.66 2f16 n ARG 90 N -3.40 2.50 -0.32 1.92 5.12 -0.69 -4.85 116.66 116.94 2f16 n ARG 90 Ca -0.03 -3.51 0.18 0.00 -1.93 0.00 0.00 57.85 52.55 2f16 n ARG 90 Cb 0.09 -2.03 0.36 0.00 -1.16 0.00 0.00 32.46 29.72 2f16 n ARG 90 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2f16 h ARG 91 N 1.51 0.17 -0.67 5.56 9.65 -0.96 0.06 114.38 129.71 2f16 h ARG 91 Ca 0.32 -0.01 -0.31 0.00 -1.10 0.00 0.00 59.98 58.88 2f16 h ARG 91 Cb 1.48 -0.04 -0.18 0.00 -1.39 0.00 0.00 29.97 29.84 2f16 h ARG 91 CO 0.68 0.11 0.28 1.19 2.80 0.00 0.00 179.97 185.03 2f16 n PHE 92 N -5.24 2.10 -2.67 2.20 3.01 -1.26 -4.35 117.46 111.25 2f16 n PHE 92 Ca 0.26 -1.59 -0.04 0.00 1.01 0.00 0.00 57.45 57.09 2f16 n PHE 92 Cb 0.83 -0.70 0.06 0.00 -0.01 0.00 0.00 39.48 39.66 2f16 n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2f16 n GLY 93 N -0.93 -0.73 3.63 1.37 0.00 -0.48 -5.17 105.19 102.89 2f16 n GLY 93 Ca 0.44 0.31 -0.30 0.00 0.00 0.00 0.00 46.02 46.48 2f16 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f16 s PRO 94 N 0.07 0.58 -0.05 1.61 0.04 -0.11 -4.84 135.00 132.30 2f16 s PRO 94 Ca 0.13 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 2f16 s PRO 94 Cb 0.20 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 33.00 2f16 s PRO 94 CO -0.10 -2.84 0.63 0.71 0.04 0.00 0.00 177.00 175.45 2f16 s TYR 95 N -2.64 3.61 -1.31 0.56 1.51 -1.26 -4.97 117.35 112.86 2f16 s TYR 95 Ca 0.67 1.19 -0.13 0.00 -1.01 0.00 0.00 57.07 57.79 2f16 s TYR 95 Cb -0.23 -2.70 0.12 0.00 -0.11 0.00 0.00 41.96 39.04 2f16 s TYR 95 CO 0.60 0.20 1.84 1.19 -1.11 0.00 0.00 175.55 178.26 2f16 n PHE 96 N 3.35 3.83 -4.30 2.71 3.72 -1.26 -4.76 117.46 120.76 2f16 n PHE 96 Ca -0.04 -2.97 -0.16 0.00 -0.05 0.00 0.00 57.45 54.22 2f16 n PHE 96 Cb 0.51 -2.26 -0.10 0.00 -0.94 0.00 0.00 39.48 36.69 2f16 n PHE 96 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2f16 s VAL 97 N 1.96 1.02 -0.48 -4.37 -7.23 -1.26 -0.76 120.40 109.28 2f16 s VAL 97 Ca 0.44 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 2f16 s VAL 97 Cb 0.07 -2.22 0.15 0.00 0.56 0.00 0.00 36.38 34.94 2f16 s VAL 97 CO -0.01 -0.43 0.32 -0.83 -0.31 0.00 0.00 175.10 173.85 2f16 s GLY 98 N -3.26 1.70 0.61 2.32 0.00 0.15 -3.69 107.32 105.14 2f16 s GLY 98 Ca 0.26 -2.73 -0.18 0.00 0.00 0.00 0.00 44.72 42.07 2f16 s GLY 98 CO 0.07 1.69 1.16 -4.14 0.00 0.00 0.00 173.10 171.87 2f16 s PRO 99 N -0.04 2.97 -0.09 2.90 0.02 -1.25 -2.68 135.00 136.82 2f16 s PRO 99 Ca 0.24 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 2f16 s PRO 99 Cb -0.11 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.51 2f16 s PRO 99 CO -0.10 -1.16 0.19 0.08 -0.33 0.00 0.00 177.00 175.68 2f16 s VAL 100 N -1.89 -0.25 -0.10 3.83 1.01 -0.16 -2.29 120.40 120.55 2f16 s VAL 100 Ca 0.73 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.99 2f16 s VAL 100 Cb -0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2f16 s VAL 100 CO 0.34 0.13 -0.04 -0.69 0.00 0.00 0.00 175.10 174.84 2f16 s VAL 101 N 2.09 3.96 -0.01 2.92 1.01 0.76 -0.96 120.40 130.17 2f16 s VAL 101 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2f16 s VAL 101 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2f16 s VAL 101 CO -0.07 0.56 0.09 0.00 0.00 0.00 0.00 175.10 175.69 2f16 s ALA 102 N -0.43 -0.21 0.00 5.51 0.00 -0.49 0.05 121.76 126.19 2f16 s ALA 102 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2f16 s ALA 102 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2f16 s ALA 102 CO 0.02 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2f16 n GLY 103 N 2.16 0.75 3.35 0.00 0.00 0.05 -1.11 105.19 110.39 2f16 n GLY 103 Ca -0.18 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 2f16 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f16 s ILE 104 N -2.00 3.15 -0.01 -0.61 1.01 -1.26 -0.16 121.20 121.32 2f16 s ILE 104 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 2f16 s ILE 104 Cb 0.00 -2.36 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 2f16 s ILE 104 CO 0.00 0.50 1.85 0.21 0.00 0.00 0.00 174.94 177.49 2f16 s ASN 105 N 0.68 6.51 0.56 3.58 3.84 -0.31 -4.84 114.94 124.96 2f16 s ASN 105 Ca -0.05 2.47 0.25 0.00 0.21 0.00 0.00 52.86 55.74 2f16 s ASN 105 Cb -0.15 -2.53 1.63 0.00 -0.55 0.00 0.00 41.25 39.65 2f16 s ASN 105 CO 0.02 -1.03 2.21 0.77 -2.79 0.00 0.00 177.10 176.28 2f16 h SER 10 N 10.29 0.00 0.09 -4.21 4.64 -1.95 1.03 113.55 123.44 2f16 h SER 10 Ca -0.45 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.53 2f16 h SER 10 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2f16 h SER 10 CO 0.95 0.01 -1.85 1.17 -0.87 0.00 0.00 176.83 176.24 2f16 n LYS 10 N -4.04 0.71 0.07 4.77 4.81 -1.26 -4.38 118.16 118.84 2f16 n LYS 10 Ca -0.03 0.33 0.11 0.00 -0.87 0.00 0.00 58.31 57.86 2f16 n LYS 10 Cb 0.10 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 2f16 n LYS 10 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2f16 n SER 10 N -3.71 0.64 0.00 3.14 3.41 -1.18 -4.95 113.62 110.96 2f16 n SER 10 Ca -0.33 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2f16 n SER 10 Cb 0.96 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.72 2f16 n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f16 n GLY 106 N 1.22 0.32 3.72 5.00 0.00 0.36 -4.99 105.19 110.82 2f16 n GLY 106 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2f16 n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f16 s LYS 107 N -0.78 4.63 0.42 1.61 2.20 -1.24 -4.69 119.74 121.90 2f16 s LYS 107 Ca 0.00 1.46 -0.25 0.00 -0.36 0.00 0.00 55.97 56.83 2f16 s LYS 107 Cb 0.00 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.84 2f16 s LYS 107 CO 0.00 0.09 1.19 -2.14 -0.36 0.00 0.00 175.35 174.13 2f16 s PRO 108 N 0.39 3.94 -0.10 4.03 0.02 -1.26 -1.16 135.00 140.85 2f16 s PRO 108 Ca 0.49 1.86 -0.06 0.00 0.02 0.00 0.00 61.00 63.31 2f16 s PRO 108 Cb -0.23 -2.59 0.04 0.00 0.02 0.00 0.00 34.50 31.73 2f16 s PRO 108 CO 0.29 -0.43 0.24 0.12 -0.33 0.00 0.00 177.00 176.90 2f16 s PHE 109 N -1.44 -0.29 0.02 6.54 5.36 0.77 -4.91 117.98 124.03 2f16 s PHE 109 Ca 0.59 0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 57.26 2f16 s PHE 109 Cb -0.31 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.41 2f16 s PHE 109 CO 0.39 -0.18 -0.01 0.96 -1.46 0.00 0.00 175.22 174.92 2f16 s ILE 110 N 0.74 0.12 -0.01 3.12 -0.00 -1.26 -0.77 121.20 123.14 2f16 s ILE 110 Ca -0.05 -0.98 -0.24 0.00 -0.00 0.00 0.00 60.65 59.38 2f16 s ILE 110 Cb -0.06 -0.42 0.05 0.00 -0.00 0.00 0.00 42.46 42.02 2f16 s ILE 110 CO -0.04 -0.54 0.53 0.00 -0.00 0.00 0.00 174.94 174.89 2f16 s ALA 111 N -1.73 -1.37 0.22 2.27 0.00 0.11 -3.88 121.76 117.37 2f16 s ALA 111 Ca -0.13 0.83 0.09 0.00 0.00 0.00 0.00 51.96 52.75 2f16 s ALA 111 Cb -0.08 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2f16 s ALA 111 CO -0.02 -0.38 -0.18 0.20 0.00 0.00 0.00 175.76 175.38 2f16 s GLY 112 N -1.48 1.57 0.03 0.00 0.00 0.78 -0.17 107.32 108.06 2f16 s GLY 112 Ca -0.10 -1.68 -0.03 0.00 0.00 0.00 0.00 44.72 42.91 2f16 s GLY 112 CO 0.05 -1.76 0.04 -1.36 0.00 0.00 0.00 173.10 170.07 2f16 s PHE 113 N -2.50 0.27 0.64 1.90 0.08 -0.97 0.53 117.98 117.92 2f16 s PHE 113 Ca 0.23 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2f16 s PHE 113 Cb -0.04 -0.20 0.13 0.00 -0.57 0.00 0.00 43.02 42.34 2f16 s PHE 113 CO 0.09 -0.31 0.88 -0.40 -0.10 0.00 0.00 175.22 175.39 2f16 n ASP 114 N 0.94 1.32 0.21 1.36 3.85 -1.08 -3.92 116.55 119.23 2f16 n ASP 114 Ca -0.20 -2.08 0.15 0.00 -0.71 0.00 0.00 54.79 51.95 2f16 n ASP 114 Cb 0.58 -0.56 0.73 0.00 -1.35 0.00 0.00 41.12 40.52 2f16 n ASP 114 CO 0.00 0.00 0.00 0.17 -1.01 0.00 0.00 177.20 176.36 2f16 h LEU 115 N 0.00 0.00 -3.12 -2.12 -0.00 -1.86 -2.46 115.31 105.75 2f16 h LEU 115 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2f16 h LEU 115 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2f16 h LEU 115 CO 0.33 0.00 0.00 2.30 -0.00 0.00 0.00 178.44 181.07 2f16 n ILE 116 N -2.57 1.79 0.00 0.15 -5.35 -1.26 -4.36 119.36 107.76 2f16 n ILE 116 Ca -0.01 -1.49 0.00 0.00 -0.27 0.00 0.00 62.75 60.98 2f16 n ILE 116 Cb 0.13 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 2f16 n ILE 116 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f16 n GLY 117 N 0.01 0.28 3.68 3.28 0.00 -0.93 -3.10 105.19 108.42 2f16 n GLY 117 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 2f16 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f16 s ILE 119 N 2.46 5.13 -0.34 0.00 1.01 -1.26 -2.64 121.20 125.56 2f16 s ILE 119 Ca 0.84 1.14 0.02 0.00 0.00 0.00 0.00 60.65 62.65 2f16 s ILE 119 Cb -0.64 -3.90 0.09 0.00 0.01 0.00 0.00 42.46 38.03 2f16 s ILE 119 CO 0.43 0.30 0.05 -0.62 0.00 0.00 0.00 174.94 175.10 2f16 s ASP 120 N 0.67 4.82 -0.65 3.58 3.68 0.19 -4.97 116.67 123.99 2f16 s ASP 120 Ca 0.30 -1.97 -0.14 0.00 2.13 0.00 0.00 52.55 52.88 2f16 s ASP 120 Cb -0.16 -1.66 0.17 0.00 -1.45 0.00 0.00 42.92 39.81 2f16 s ASP 120 CO 0.13 -0.38 0.58 -0.70 0.13 0.00 0.00 175.17 174.94 2f16 s GLU 121 N 1.00 3.15 0.28 4.34 2.12 -1.26 -0.16 118.70 128.17 2f16 s GLU 121 Ca 0.06 -2.05 -0.00 0.00 0.36 0.00 0.00 54.97 53.34 2f16 s GLU 121 Cb -0.20 -4.28 -0.04 0.00 0.26 0.00 0.00 34.13 29.87 2f16 s GLU 121 CO -0.06 -1.29 0.48 0.00 -0.54 0.00 0.00 175.26 173.84 2f16 s ALA 122 N 0.93 3.76 -0.13 6.30 0.00 -1.25 -5.02 121.76 126.34 2f16 s ALA 122 Ca 0.10 -0.87 0.19 0.00 0.00 0.00 0.00 51.96 51.38 2f16 s ALA 122 Cb -0.21 -2.06 -0.17 0.00 0.00 0.00 0.00 23.12 20.68 2f16 s ALA 122 CO -0.02 0.20 0.68 0.36 0.00 0.00 0.00 175.76 176.97 2f16 n LYS 12 N -1.25 0.64 -0.03 0.00 2.85 -1.26 -4.51 118.16 114.60 2f16 n LYS 12 Ca -0.05 0.09 -0.03 0.00 -1.05 0.00 0.00 58.31 57.27 2f16 n LYS 12 Cb 0.55 -1.71 -0.01 0.00 -0.65 0.00 0.00 35.03 33.21 2f16 n LYS 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2f16 n ASP 123 N -2.71 0.63 -3.78 -5.58 5.68 -1.26 -4.54 116.55 104.98 2f16 n ASP 123 Ca -0.11 0.11 -0.10 0.00 -0.50 0.00 0.00 54.79 54.20 2f16 n ASP 123 Cb 0.79 -0.58 -0.05 0.00 -1.14 0.00 0.00 41.12 40.14 2f16 n ASP 123 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2f16 s PHE 124 N -1.61 0.04 -0.00 2.11 -0.12 -1.26 -1.58 117.98 115.55 2f16 s PHE 124 Ca -0.09 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.41 2f16 s PHE 124 Cb 0.01 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2f16 s PHE 124 CO 0.14 -0.74 -0.05 0.42 -0.05 0.00 0.00 175.22 174.93 2f16 s ILE 125 N -3.88 0.41 0.11 -4.49 1.09 -0.34 -4.78 121.20 109.33 2f16 s ILE 125 Ca 0.09 -0.28 0.06 0.00 -1.10 0.00 0.00 60.65 59.42 2f16 s ILE 125 Cb 0.02 -0.36 -0.04 0.00 -1.06 0.00 0.00 42.46 41.02 2f16 s ILE 125 CO -0.06 0.08 -0.15 0.68 -0.10 0.00 0.00 174.94 175.39 2f16 s VAL 126 N -0.20 1.38 -0.02 2.92 -7.23 -1.26 -1.26 120.40 114.72 2f16 s VAL 126 Ca 0.01 -1.64 -0.28 0.00 -1.81 0.00 0.00 61.98 58.26 2f16 s VAL 126 Cb -0.03 -1.48 0.06 0.00 0.56 0.00 0.00 36.38 35.50 2f16 s VAL 126 CO -0.00 -0.33 0.62 -0.55 -0.31 0.00 0.00 175.10 174.52 2f16 s SER 127 N -2.29 -0.58 0.00 4.85 0.15 -0.20 -4.99 113.70 110.64 2f16 s SER 127 Ca 0.07 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2f16 s SER 127 Cb -0.06 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2f16 s SER 127 CO 0.03 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2f16 n GLY 128 N 0.79 0.09 0.00 9.45 0.00 -1.26 -1.52 105.19 112.75 2f16 n GLY 128 Ca -0.19 -2.29 0.09 0.00 0.00 0.00 0.00 46.02 43.63 2f16 n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f16 n THR 129 N -0.54 0.52 -1.91 2.61 -2.24 -0.52 -2.65 114.28 109.54 2f16 n THR 129 Ca 0.00 0.13 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2f16 n THR 129 Cb 0.00 -0.80 0.13 0.00 -2.10 0.00 0.00 70.33 67.55 2f16 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f16 n ALA 130 N -1.37 3.71 0.10 6.98 0.00 -1.26 -4.82 120.51 123.84 2f16 n ALA 130 Ca 0.07 -3.24 0.02 0.00 0.00 0.00 0.00 53.44 50.29 2f16 n ALA 130 Cb 0.18 -0.44 0.36 0.00 0.00 0.00 0.00 19.45 19.56 2f16 n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2f16 h SER 131 N 1.37 0.27 -0.05 0.00 4.64 -1.77 -0.80 113.55 117.21 2f16 h SER 131 Ca 0.04 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2f16 h SER 131 Cb 1.28 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2f16 h SER 131 CO 0.20 0.43 0.02 0.44 -0.87 0.00 0.00 176.83 177.05 2f16 h ASP 132 N 0.27 0.07 -0.46 4.97 3.45 -1.87 0.34 116.42 123.19 2f16 h ASP 132 Ca 0.05 -0.20 0.02 0.00 0.43 0.00 0.00 57.03 57.34 2f16 h ASP 132 Cb 0.40 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 2f16 h ASP 132 CO 0.02 0.25 0.27 1.56 -1.57 0.00 0.00 179.24 179.78 2f16 h GLN 133 N -0.11 0.53 -0.62 3.56 7.50 -1.85 -0.60 115.11 123.52 2f16 h GLN 133 Ca 0.02 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.17 2f16 h GLN 133 Cb 0.20 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.57 2f16 h GLN 133 CO -0.00 0.35 0.37 -0.07 -1.50 0.00 0.00 178.83 177.98 2f16 h LEU 134 N 0.54 0.60 -0.71 1.46 3.38 -0.97 0.14 115.31 119.75 2f16 h LEU 134 Ca 0.19 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2f16 h LEU 134 Cb 0.02 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2f16 h LEU 134 CO -0.09 0.41 0.45 -0.26 0.09 0.00 0.00 178.44 179.04 2f16 h PHE 135 N 0.73 0.83 0.01 1.13 0.04 -0.34 0.25 116.94 119.59 2f16 h PHE 135 Ca 0.25 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 2f16 h PHE 135 Cb 0.05 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 37.92 2f16 h PHE 135 CO -0.06 0.47 -0.00 0.78 -0.60 0.00 0.00 178.31 178.90 2f16 h GLY 136 N 0.87 -0.01 0.87 -1.45 0.00 -0.23 0.45 103.07 103.56 2f16 h GLY 136 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2f16 h GLY 136 CO -0.11 -0.00 -0.13 -0.33 0.00 0.00 0.00 176.54 175.96 2f16 h MET 137 N -0.17 -0.29 -0.01 4.80 2.86 -0.30 -2.91 114.93 118.91 2f16 h MET 137 Ca -0.00 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2f16 h MET 137 Cb 0.17 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2f16 h MET 137 CO 0.00 -0.19 -0.03 0.00 1.06 0.00 0.00 176.91 177.75 2f16 h GLU 139 N -0.05 0.00 0.00 0.00 4.57 -0.85 -1.77 114.58 116.49 2f16 h GLU 139 Ca 0.02 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 2f16 h GLU 139 Cb 0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2f16 h GLU 139 CO -0.04 0.00 -1.40 0.43 -1.18 0.00 0.00 179.01 176.82 2f16 n SER 140 N -3.40 1.82 -0.01 1.04 7.64 -0.95 -4.68 113.62 115.08 2f16 n SER 140 Ca 0.01 0.31 0.02 0.00 1.01 0.00 0.00 58.87 60.22 2f16 n SER 140 Cb 0.35 -0.71 0.37 0.00 -1.01 0.00 0.00 64.21 63.20 2f16 n SER 140 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2f16 h LEU 141 N -0.89 0.50-10.13 -3.43 3.38 -0.64 -3.45 115.31 100.64 2f16 h LEU 141 Ca -0.22 -0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.19 2f16 h LEU 141 Cb 1.12 -0.13 0.11 0.00 0.09 0.00 0.00 40.66 41.85 2f16 h LEU 141 CO -0.13 0.44 0.43 -0.47 0.09 0.00 0.00 178.44 178.80 2f16 s TYR 142 N -5.33 2.42 -0.16 1.13 5.04 -0.67 -5.04 117.35 114.75 2f16 s TYR 142 Ca -0.08 1.54 -0.28 0.00 -2.44 0.00 0.00 57.07 55.81 2f16 s TYR 142 Cb 0.17 -3.38 0.08 0.00 0.35 0.00 0.00 41.96 39.17 2f16 s TYR 142 CO 0.75 -2.07 0.74 -1.83 -1.34 0.00 0.00 175.55 171.79 2f16 s GLU 143 N -3.58 0.90 1.16 4.97 -1.05 -1.26 -5.01 118.70 114.84 2f16 s GLU 143 Ca 0.74 0.58 -0.16 0.00 -0.15 0.00 0.00 54.97 55.97 2f16 s GLU 143 Cb -0.27 0.43 0.19 0.00 -0.44 0.00 0.00 34.13 34.05 2f16 s GLU 143 CO 0.36 -0.21 0.43 -2.30 0.95 0.00 0.00 175.26 174.49 2f16 n PRO 144 N 1.71 -2.11 -3.16 -4.83 -0.02 -1.26 -4.13 135.00 121.19 2f16 n PRO 144 Ca -0.16 -0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 60.51 2f16 n PRO 144 Cb 0.56 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 2f16 n PRO 144 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2f16 n ASN 145 N -3.15 -0.70 -4.78 2.55 4.13 -1.26 -4.89 115.26 107.16 2f16 n ASN 145 Ca 0.01 -0.66 -0.34 0.00 1.68 0.00 0.00 54.58 55.27 2f16 n ASN 145 Cb 0.59 -0.84 0.02 0.00 -1.54 0.00 0.00 39.78 38.01 2f16 n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2f16 s LEU 146 N -4.46 3.61 0.42 3.41 1.43 -1.26 -4.21 118.68 117.62 2f16 s LEU 146 Ca 0.36 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.42 2f16 s LEU 146 Cb -0.21 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.37 2f16 s LEU 146 CO 0.54 -1.34 0.82 -1.61 0.23 0.00 0.00 176.35 174.99 2f16 s GLU 147 N -3.61 3.86 0.24 1.70 0.41 -1.26 0.83 118.70 120.86 2f16 s GLU 147 Ca 0.70 0.63 -0.12 0.00 -0.41 0.00 0.00 54.97 55.77 2f16 s GLU 147 Cb -0.22 -2.33 0.33 0.00 -1.78 0.00 0.00 34.13 30.13 2f16 s GLU 147 CO 0.32 -0.07 1.47 -2.30 -0.49 0.00 0.00 175.26 174.20 2f16 n PRO 148 N -1.23 -0.15 0.03 0.39 -0.02 -1.26 0.13 135.00 132.88 2f16 n PRO 148 Ca 0.04 1.47 0.03 0.00 -2.02 0.00 0.00 63.50 63.01 2f16 n PRO 148 Cb 0.54 -2.18 0.40 0.00 -0.02 0.00 0.00 33.50 32.23 2f16 n PRO 148 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2f16 h GLU 149 N 0.00 0.46 0.03 -0.52 3.07 -2.00 -1.64 114.58 113.98 2f16 h GLU 149 Ca 0.39 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 59.12 2f16 h GLU 149 Cb 0.63 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2f16 h GLU 149 CO -0.96 0.39 -0.33 -0.44 -1.40 0.00 0.00 179.01 176.27 2f16 h ASP 150 N 0.46 0.11 -0.97 1.42 3.45 -0.92 -3.24 116.42 116.73 2f16 h ASP 150 Ca 0.11 -0.94 0.23 0.00 0.43 0.00 0.00 57.03 56.86 2f16 h ASP 150 Cb 0.12 -0.04 -0.08 0.00 -0.56 0.00 0.00 39.33 38.77 2f16 h ASP 150 CO -0.01 1.15 0.63 0.25 -1.57 0.00 0.00 179.24 179.69 2f16 h LEU 151 N -0.84 0.44 0.01 1.55 5.85 -0.19 0.59 115.31 122.72 2f16 h LEU 151 Ca -0.07 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2f16 h LEU 151 Cb 1.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2f16 h LEU 151 CO 0.02 0.14 -0.01 0.15 -0.34 0.00 0.00 178.44 178.40 2f16 h PHE 152 N 0.42 -0.02 -0.48 1.25 3.57 -1.37 0.10 116.94 120.41 2f16 h PHE 152 Ca 0.52 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.07 2f16 h PHE 152 Cb 1.30 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 2f16 h PHE 152 CO -0.00 0.04 0.22 0.93 -2.23 0.00 0.00 178.31 177.26 2f16 h GLU 153 N -0.07 0.42 0.56 1.11 4.39 -0.94 -1.75 114.58 118.30 2f16 h GLU 153 Ca -0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2f16 h GLU 153 Cb 0.06 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2f16 h GLU 153 CO 0.00 0.28 -0.27 1.15 -1.16 0.00 0.00 179.01 179.01 2f16 h THR 154 N 0.43 0.42 -0.33 1.13 2.02 -1.07 -1.91 112.91 113.61 2f16 h THR 154 Ca 0.22 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2f16 h THR 154 Cb 0.16 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2f16 h THR 154 CO -0.18 0.02 0.10 -0.29 0.37 0.00 0.00 175.52 175.54 2f16 h ILE 155 N -0.85 1.15 -0.44 3.11 2.10 -0.94 -1.65 117.51 119.98 2f16 h ILE 155 Ca -0.08 -0.49 -0.12 0.00 1.08 0.00 0.00 64.86 65.25 2f16 h ILE 155 Cb 0.61 0.79 -0.02 0.00 -1.09 0.00 0.00 36.82 37.12 2f16 h ILE 155 CO 0.13 0.18 -0.18 0.28 -1.08 0.00 0.00 178.15 177.47 2f16 h SER 156 N 0.47 0.88 0.46 2.19 0.02 -1.23 -1.35 113.55 114.99 2f16 h SER 156 Ca 0.11 -0.31 -0.17 0.00 -0.84 0.00 0.00 61.79 60.59 2f16 h SER 156 Cb 0.15 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2f16 h SER 156 CO -0.01 1.05 -0.72 1.56 -1.14 0.00 0.00 176.83 177.57 2f16 h GLN 157 N 0.76 0.21 -0.04 3.45 1.08 -0.96 -1.34 115.11 118.28 2f16 h GLN 157 Ca 0.11 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2f16 h GLN 157 Cb 0.72 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2f16 h GLN 157 CO 0.06 0.84 0.00 0.00 -0.95 0.00 0.00 178.83 178.78 2f16 h ALA 158 N 1.10 0.06 0.63 3.87 0.00 -1.06 -2.41 119.26 121.45 2f16 h ALA 158 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2f16 h ALA 158 Cb 1.28 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2f16 h ALA 158 CO 0.11 -0.28 -0.30 1.25 0.00 0.00 0.00 179.25 180.03 2f16 h LEU 159 N -0.21 -0.72 -0.65 0.00 5.85 -1.25 -2.80 115.31 115.53 2f16 h LEU 159 Ca 0.01 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2f16 h LEU 159 Cb 0.32 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 2f16 h LEU 159 CO 0.00 -0.42 0.07 -0.07 -0.34 0.00 0.00 178.44 177.68 2f16 h LEU 160 N -0.99 -0.15 -0.18 2.25 4.07 -1.30 -0.29 115.31 118.72 2f16 h LEU 160 Ca -0.09 0.15 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 2f16 h LEU 160 Cb 0.69 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 2f16 h LEU 160 CO 0.14 -0.07 -0.32 0.78 -1.08 0.00 0.00 178.44 177.89 2f16 h ASN 161 N 0.18 0.00 0.11 -0.43 2.35 -1.51 -2.65 115.58 113.63 2f16 h ASN 161 Ca 0.35 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.86 2f16 h ASN 161 Cb 0.57 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.96 2f16 h ASN 161 CO -0.51 0.32 -1.00 0.00 -1.65 0.00 0.00 177.43 174.59 2f16 h ALA 162 N 1.68 -0.03 -0.12 -0.83 0.00 -1.15 -3.27 119.26 115.55 2f16 h ALA 162 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 2f16 h ALA 162 Cb 1.18 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2f16 h ALA 162 CO 0.04 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.76 2f16 h ALA 163 N 0.22 1.69 0.00 0.00 0.00 -1.07 -2.00 119.26 118.11 2f16 h ALA 163 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2f16 h ALA 163 Cb 1.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2f16 h ALA 163 CO 0.19 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.42 2f16 n ASP 164 N -4.37 0.00 -0.42 0.00 10.43 -1.00 -2.22 116.55 118.97 2f16 n ASP 164 Ca -0.01 -0.53 0.04 0.00 2.57 0.00 0.00 54.79 56.86 2f16 n ASP 164 Cb 0.19 -0.10 0.07 0.00 1.84 0.00 0.00 41.12 43.12 2f16 n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2f16 n ARG 165 N -1.10 1.46 -4.46 -1.24 5.12 -0.76 -4.95 116.66 110.74 2f16 n ARG 165 Ca 0.17 -1.44 -0.32 0.00 -1.93 0.00 0.00 57.85 54.32 2f16 n ARG 165 Cb 0.13 -1.19 -0.16 0.00 -1.16 0.00 0.00 32.46 30.08 2f16 n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2f16 s ASP 166 N -0.85 3.03 0.45 0.55 3.68 -0.94 -5.01 116.67 117.58 2f16 s ASP 166 Ca 0.14 -0.60 0.21 0.00 2.13 0.00 0.00 52.55 54.43 2f16 s ASP 166 Cb 0.08 -1.41 1.10 0.00 -1.45 0.00 0.00 42.92 41.24 2f16 s ASP 166 CO 0.11 0.04 1.95 0.00 0.13 0.00 0.00 175.17 177.41 2f16 h ALA 167 N 7.55 1.31 -0.35 3.66 0.00 -1.92 -3.01 119.26 126.51 2f16 h ALA 167 Ca -0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2f16 h ALA 167 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2f16 h ALA 167 CO 0.57 0.28 0.00 1.28 0.00 0.00 0.00 179.25 181.38 2f16 n LEU 168 N -3.81 2.90 -4.50 0.00 4.77 -1.26 -4.95 117.00 110.14 2f16 n LEU 168 Ca -0.02 -1.27 -0.24 0.00 -0.03 0.00 0.00 56.01 54.46 2f16 n LEU 168 Cb 0.32 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 2f16 n LEU 168 CO 0.34 0.63 -0.34 -0.44 -1.33 0.00 0.00 177.39 176.25 2f16 s SER 169 N -1.45 3.18 0.00 -1.43 0.01 -1.14 -3.04 113.70 109.83 2f16 s SER 169 Ca 0.37 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2f16 s SER 169 Cb 0.21 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2f16 s SER 169 CO 0.29 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2f16 n GLY 170 N -0.73 0.30 3.20 3.44 0.00 -1.26 -4.82 105.19 105.32 2f16 n GLY 170 Ca -0.05 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 2f16 n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2f16 n TRP 171 N 0.00 -2.27 0.00 1.61 7.02 -1.25 -2.19 117.44 120.36 2f16 n TRP 171 Ca 0.00 0.70 0.00 0.00 -1.02 0.00 0.00 57.50 57.18 2f16 n TRP 171 Cb 0.00 -4.62 0.00 0.00 -2.42 0.00 0.00 31.31 24.27 2f16 n TRP 171 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2f16 n GLY 172 N -1.70 2.67 3.34 6.99 0.00 -1.26 -4.32 105.19 110.91 2f16 n GLY 172 Ca -0.06 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 2f16 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f16 s ALA 173 N -2.72 -1.11 -0.01 4.61 0.00 -1.26 -0.85 121.76 120.42 2f16 s ALA 173 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.45 2f16 s ALA 173 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2f16 s ALA 173 CO 0.00 -0.43 -0.09 0.54 0.00 0.00 0.00 175.76 175.78 2f16 s VAL 174 N -2.18 0.73 -0.03 0.00 0.11 -0.39 -1.13 120.40 117.50 2f16 s VAL 174 Ca -0.07 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 2f16 s VAL 174 Cb -0.01 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2f16 s VAL 174 CO -0.00 0.21 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.13 2f16 s VAL 175 N -0.20 1.31 -0.17 2.04 1.01 0.37 -1.86 120.40 122.90 2f16 s VAL 175 Ca 0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2f16 s VAL 175 Cb -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 2f16 s VAL 175 CO -0.00 0.38 -0.10 -0.31 0.00 0.00 0.00 175.10 175.07 2f16 s TYR 176 N -0.04 2.87 -0.31 5.22 2.02 -0.26 -1.29 117.35 125.57 2f16 s TYR 176 Ca -0.01 -0.85 -0.07 0.00 -0.37 0.00 0.00 57.07 55.77 2f16 s TYR 176 Cb -0.10 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2f16 s TYR 176 CO 0.01 -0.40 0.09 0.42 -1.57 0.00 0.00 175.55 174.10 2f16 s ILE 177 N 0.89 3.87 -0.15 2.71 -1.09 -0.51 -1.59 121.20 125.33 2f16 s ILE 177 Ca -0.02 -0.89 -0.05 0.00 -2.23 0.00 0.00 60.65 57.45 2f16 s ILE 177 Cb -0.15 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2f16 s ILE 177 CO 0.00 -0.03 0.03 -0.63 -1.23 0.00 0.00 174.94 173.08 2f16 s ILE 178 N 1.45 4.51 0.10 2.92 1.09 0.13 -1.88 121.20 129.52 2f16 s ILE 178 Ca 0.01 -0.14 0.04 0.00 -1.10 0.00 0.00 60.65 59.45 2f16 s ILE 178 Cb -0.18 -2.99 -0.04 0.00 -1.06 0.00 0.00 42.46 38.19 2f16 s ILE 178 CO 0.02 0.50 -0.11 -0.54 -0.10 0.00 0.00 174.94 174.72 2f16 s LYS 179 N 0.06 0.87 0.26 2.79 1.02 -0.18 -1.19 119.74 123.37 2f16 s LYS 179 Ca 0.04 -1.16 -0.07 0.00 0.02 0.00 0.00 55.97 54.80 2f16 s LYS 179 Cb -0.13 -0.60 0.46 0.00 -0.52 0.00 0.00 37.83 37.05 2f16 s LYS 179 CO 0.01 0.10 1.46 1.63 -0.92 0.00 0.00 175.35 177.63 2f16 n LYS 181 N 0.59 -0.08 -0.10 1.68 4.76 -1.26 -2.93 118.16 120.82 2f16 n LYS 181 Ca -0.16 1.45 -0.20 0.00 -2.87 0.00 0.00 58.31 56.53 2f16 n LYS 181 Cb 0.57 -2.18 -0.12 0.00 -1.84 0.00 0.00 35.03 31.46 2f16 n LYS 181 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2f16 h ASP 182 N 0.00 0.01 -2.62 4.39 2.03 -1.96 -3.50 116.42 114.76 2f16 h ASP 182 Ca 0.46 -0.60 -0.53 0.00 -0.73 0.00 0.00 57.03 55.63 2f16 h ASP 182 Cb 0.73 -0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.09 2f16 h ASP 182 CO -0.96 1.41 -0.69 -1.83 -1.03 0.00 0.00 179.24 176.14 2f16 s GLU 183 N -2.34 1.61 -0.06 4.15 -1.05 -1.15 -5.14 118.70 114.73 2f16 s GLU 183 Ca -0.27 -1.80 -0.01 0.00 -0.15 0.00 0.00 54.97 52.74 2f16 s GLU 183 Cb 0.04 -1.36 0.03 0.00 -0.44 0.00 0.00 34.13 32.40 2f16 s GLU 183 CO 0.61 0.11 0.01 0.08 0.95 0.00 0.00 175.26 177.02 2f16 s VAL 184 N -2.85 0.28 -0.08 1.83 1.01 -1.26 -1.01 120.40 118.32 2f16 s VAL 184 Ca 0.30 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 2f16 s VAL 184 Cb 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2f16 s VAL 184 CO 0.13 0.22 -0.04 -0.69 0.00 0.00 0.00 175.10 174.72 2f16 s VAL 185 N 1.70 3.94 -0.14 2.92 1.01 -0.79 -4.98 120.40 124.07 2f16 s VAL 185 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2f16 s VAL 185 Cb -0.13 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.63 2f16 s VAL 185 CO -0.04 0.59 -0.18 -0.75 0.00 0.00 0.00 175.10 174.72 2f16 s LYS 186 N -0.76 2.65 -0.03 2.72 2.20 -1.26 -1.42 119.74 123.84 2f16 s LYS 186 Ca 0.12 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 55.06 2f16 s LYS 186 Cb -0.11 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.96 2f16 s LYS 186 CO 0.02 -0.10 -0.17 1.03 -0.36 0.00 0.00 175.35 175.76 2f16 s ARG 187 N 1.06 1.62 -0.14 4.03 0.52 -0.41 -4.98 118.95 120.66 2f16 s ARG 187 Ca -0.03 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.43 2f16 s ARG 187 Cb -0.14 -1.48 -0.05 0.00 0.52 0.00 0.00 34.95 33.80 2f16 s ARG 187 CO -0.05 0.31 0.30 0.71 0.02 0.00 0.00 175.30 176.59 2f16 s TYR 188 N -0.18 3.51 0.35 -0.53 1.51 -1.26 -0.48 117.35 120.27 2f16 s TYR 188 Ca 0.01 0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 56.70 2f16 s TYR 188 Cb -0.09 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 2f16 s TYR 188 CO 0.01 0.34 0.59 -0.51 -1.11 0.00 0.00 175.55 174.87 2f16 s LEU 189 N 0.13 3.96 -0.28 -1.29 1.43 -0.28 -5.00 118.68 117.35 2f16 s LEU 189 Ca 0.17 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 2f16 s LEU 189 Cb -0.13 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2f16 s LEU 189 CO 0.05 -0.31 0.20 -0.75 0.23 0.00 0.00 176.35 175.77 2f16 s LYS 190 N -4.13 3.92 0.23 1.70 2.20 -1.26 -4.25 119.74 118.14 2f16 s LYS 190 Ca 0.43 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.65 2f16 s LYS 190 Cb -0.10 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2f16 s LYS 190 CO 0.36 -0.20 0.28 0.00 -0.36 0.00 0.00 175.35 175.43 2f16 s MET 191 N 1.76 1.39 0.50 4.03 0.23 -1.26 -5.07 119.30 120.88 2f16 s MET 191 Ca 0.07 -1.52 -0.22 0.00 -1.03 0.00 0.00 55.69 52.99 2f16 s MET 191 Cb -0.16 0.36 -0.08 0.00 -1.53 0.00 0.00 34.83 33.42 2f16 s MET 191 CO 0.11 -0.52 1.10 0.54 -2.03 0.00 0.00 175.02 174.22 2f16 n ARG 192 N -0.34 1.37 -1.68 3.16 1.74 -1.26 -4.79 116.66 114.86 2f16 n ARG 192 Ca 0.01 0.50 -0.24 0.00 -0.77 0.00 0.00 57.85 57.35 2f16 n ARG 192 Cb 0.64 -2.23 0.06 0.00 -1.02 0.00 0.00 32.46 29.91 2f16 n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2f16 n GLN 193 N -0.41 3.13 0.00 5.56 1.13 -1.26 -3.95 117.38 121.58 2f16 n GLN 193 Ca 0.10 -3.82 0.00 0.00 -1.94 0.00 0.00 57.00 51.35 2f16 n GLN 193 Cb 0.43 -2.22 0.00 0.00 0.11 0.00 0.00 30.24 28.56 2f16 n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22