#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f17 s HIS -10 N 0.00 3.23 0.08 1.57 3.76 -1.26 -4.53 115.29 118.14 2f17 s HIS -10 Ca 0.00 -1.89 0.00 0.00 -0.15 0.00 0.00 55.06 53.02 2f17 s HIS -10 Cb 0.00 -4.46 0.00 0.00 1.11 0.00 0.00 32.58 29.23 2f17 s HIS -10 CO 0.00 -1.54 0.00 0.43 -0.85 0.00 0.00 174.74 172.78 2f17 n SER -9 N 6.63 -0.18 0.00 1.40 7.64 -1.26 -5.18 113.62 122.68 2f17 n SER -9 Ca 0.39 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2f17 n SER -9 Cb 0.44 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2f17 n SER -9 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2f17 n SER -8 N -2.74 0.00 -0.01 6.43 2.88 -1.26 -5.13 113.62 113.78 2f17 n SER -8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2f17 n SER -8 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2f17 n SER -8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2f17 n GLY -7 N 1.08 -1.40 3.76 0.46 0.00 -1.26 -4.85 105.19 102.97 2f17 n GLY -7 Ca 0.00 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 2f17 n GLY -7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f17 s LEU -6 N -2.61 3.94 -0.19 0.99 1.43 -1.26 -5.02 118.68 115.96 2f17 s LEU -6 Ca 0.00 2.81 -0.07 0.00 -1.03 0.00 0.00 54.13 55.83 2f17 s LEU -6 Cb 0.00 -4.16 0.08 0.00 0.03 0.00 0.00 46.19 42.14 2f17 s LEU -6 CO 0.00 -1.44 0.41 0.68 0.23 0.00 0.00 176.35 176.23 2f17 s VAL -5 N -1.27 -0.50 0.22 -1.59 -7.23 -1.26 -5.13 120.40 103.63 2f17 s VAL -5 Ca 0.68 0.16 -0.32 0.00 -1.81 0.00 0.00 61.98 60.69 2f17 s VAL -5 Cb -0.41 -0.64 -0.14 0.00 0.56 0.00 0.00 36.38 35.75 2f17 s VAL -5 CO 0.50 0.07 1.37 -2.65 -0.31 0.00 0.00 175.10 174.08 2f17 n PRO -4 N 5.15 1.87 -4.14 4.82 -0.02 -1.26 -4.98 135.00 136.44 2f17 n PRO -4 Ca -0.11 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 2f17 n PRO -4 Cb 0.51 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 2f17 n PRO -4 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2f17 s ARG -3 N -0.30 0.74 0.13 -0.52 1.81 -1.26 -5.00 118.95 114.55 2f17 s ARG -3 Ca 0.70 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.77 2f17 s ARG -3 Cb -0.69 -0.60 0.00 0.00 -0.45 0.00 0.00 34.95 33.21 2f17 s ARG -3 CO 0.49 0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.64 2f17 n GLY -2 N 1.17 -2.67 0.00 -3.53 0.00 -1.26 -5.09 105.19 93.81 2f17 n GLY -2 Ca -0.20 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2f17 n GLY -2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2f17 n SER -1 N -2.58 0.00 -3.87 1.61 2.88 -1.26 -5.15 113.62 105.25 2f17 n SER -1 Ca -0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.40 2f17 n SER -1 Cb 0.15 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.47 2f17 n SER -1 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2f17 s HIS 0 N -0.06 -0.01 0.43 0.66 -3.43 -1.26 -5.13 115.29 106.48 2f17 s HIS 0 Ca 0.00 0.03 -0.24 0.00 -0.80 0.00 0.00 55.06 54.06 2f17 s HIS 0 Cb 0.00 0.00 -0.08 0.00 -1.43 0.00 0.00 32.58 31.07 2f17 s HIS 0 CO 0.00 -0.01 1.13 -1.64 -2.00 0.00 0.00 174.74 172.23 2f17 s MET 1 N 0.00 3.96 0.03 -0.38 -1.94 -1.26 -5.04 119.30 114.67 2f17 s MET 1 Ca -0.00 1.72 0.04 0.00 -1.71 0.00 0.00 55.69 55.74 2f17 s MET 1 Cb -0.00 -2.52 -0.02 0.00 2.01 0.00 0.00 34.83 34.30 2f17 s MET 1 CO 0.00 -0.37 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.31 2f17 s GLU 2 N -2.52 0.83 -0.59 2.03 2.02 -1.26 -4.76 118.70 114.44 2f17 s GLU 2 Ca 0.60 -0.68 -0.24 0.00 0.02 0.00 0.00 54.97 54.67 2f17 s GLU 2 Cb -0.27 -0.81 0.05 0.00 0.10 0.00 0.00 34.13 33.20 2f17 s GLU 2 CO 0.34 0.20 0.98 -1.01 0.02 0.00 0.00 175.26 175.79 2f17 s HIS 3 N -0.80 2.72 -0.51 1.61 3.76 -0.98 -4.93 115.29 116.16 2f17 s HIS 3 Ca 0.00 -0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 54.57 2f17 s HIS 3 Cb -0.07 -4.19 0.05 0.00 1.11 0.00 0.00 32.58 29.48 2f17 s HIS 3 CO 0.01 -1.49 0.73 0.00 -0.85 0.00 0.00 174.74 173.14 2f17 s ALA 4 N 4.15 3.31 0.11 -1.40 0.00 -1.26 -0.22 121.76 126.44 2f17 s ALA 4 Ca 0.29 -1.47 0.08 0.00 0.00 0.00 0.00 51.96 50.87 2f17 s ALA 4 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2f17 s ALA 4 CO 0.17 -2.08 -0.21 0.12 0.00 0.00 0.00 175.76 173.75 2f17 s PHE 5 N 3.09 1.82 -0.44 0.00 5.99 0.42 -4.98 117.98 123.87 2f17 s PHE 5 Ca 0.22 -0.42 0.02 0.00 0.00 0.00 0.00 56.93 56.75 2f17 s PHE 5 Cb -0.16 -0.99 0.13 0.00 0.00 0.00 0.00 43.02 42.00 2f17 s PHE 5 CO 0.16 0.22 0.22 0.99 -0.00 0.00 0.00 175.22 176.81 2f17 s THR 6 N -1.20 1.69 0.00 0.12 2.01 -1.26 -0.50 115.64 116.50 2f17 s THR 6 Ca 0.07 -2.65 0.00 0.00 0.31 0.00 0.00 61.69 59.42 2f17 s THR 6 Cb -0.10 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.22 2f17 s THR 6 CO 0.04 -0.84 0.64 -2.65 -0.69 0.00 0.00 174.62 171.12 2f17 n PRO 7 N 3.56 0.00 0.00 4.92 -0.02 -1.26 -2.89 135.00 139.32 2f17 n PRO 7 Ca 0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2f17 n PRO 7 Cb 0.35 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2f17 n PRO 7 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2f17 n LEU 8 N -1.55 1.89 -0.09 2.45 4.77 -1.26 -4.22 117.00 118.99 2f17 n LEU 8 Ca 0.00 -0.95 -0.12 0.00 -0.03 0.00 0.00 56.01 54.92 2f17 n LEU 8 Cb 0.00 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 2f17 n LEU 8 CO 0.00 0.35 0.72 -0.08 -1.33 0.00 0.00 177.39 177.05 2f17 h GLU 9 N 0.20 0.50 -0.10 3.23 4.81 -1.91 -2.90 114.58 118.42 2f17 h GLU 9 Ca 0.00 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2f17 h GLU 9 Cb 0.69 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 2f17 h GLU 9 CO 0.00 0.71 0.38 -1.35 -0.73 0.00 0.00 179.01 178.02 2f17 h PRO 10 N 0.26 0.00 -0.00 0.92 0.11 -1.84 0.27 132.00 131.72 2f17 h PRO 10 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2f17 h PRO 10 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2f17 h PRO 10 CO 0.02 0.00 -0.06 1.28 -0.21 0.00 0.00 178.00 179.04 2f17 n LEU 11 N -3.08 0.09 -4.70 2.35 4.77 -1.09 -4.81 117.00 110.53 2f17 n LEU 11 Ca 0.00 0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 2f17 n LEU 11 Cb 0.46 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2f17 n LEU 11 CO 0.16 0.02 0.81 -0.76 -1.33 0.00 0.00 177.39 176.30 2f17 s LEU 12 N -2.83 4.33 0.00 2.23 1.43 0.96 -4.99 118.68 119.82 2f17 s LEU 12 Ca 0.19 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2f17 s LEU 12 Cb 0.19 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2f17 s LEU 12 CO 0.52 -0.42 0.62 -2.65 0.23 0.00 0.00 176.35 174.65 2f17 n PRO 13 N 4.37 0.00 0.00 1.29 -0.02 -1.26 -4.65 135.00 134.74 2f17 n PRO 13 Ca 0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2f17 n PRO 13 Cb 0.48 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2f17 n PRO 13 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2f17 n THR 14 N -1.35 0.00 0.00 3.45 -2.24 -1.26 -4.98 114.28 107.90 2f17 n THR 14 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2f17 n THR 14 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2f17 n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f17 n GLY 15 N 2.61 -0.34 2.26 3.38 0.00 -1.26 -4.94 105.19 106.90 2f17 n GLY 15 Ca 0.00 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 2f17 n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2f17 n ASN 16 N -1.19 0.13 0.22 1.61 5.15 -1.26 -5.04 115.26 114.88 2f17 n ASN 16 Ca 0.00 -2.94 -0.09 0.00 -0.60 0.00 0.00 54.58 50.95 2f17 n ASN 16 Cb 0.00 -0.31 -0.04 0.00 -0.53 0.00 0.00 39.78 38.90 2f17 n ASN 16 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2f17 h LEU 17 N 3.47 -0.48 -0.08 1.20 5.85 -1.95 -3.49 115.31 119.83 2f17 h LEU 17 Ca 0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2f17 h LEU 17 Cb 0.95 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2f17 h LEU 17 CO 0.45 -0.34 0.00 0.29 -0.34 0.00 0.00 178.44 178.50 2f17 n LYS 18 N -3.52 0.00 -3.97 1.25 4.76 -1.26 -4.68 118.16 110.74 2f17 n LYS 18 Ca -0.07 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.30 2f17 n LYS 18 Cb 0.22 -0.03 -0.08 0.00 -1.84 0.00 0.00 35.03 33.30 2f17 n LYS 18 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2f17 s TYR 19 N -0.00 0.37 0.18 2.13 -0.85 -1.26 -1.26 117.35 116.66 2f17 s TYR 19 Ca 0.00 -0.81 0.05 0.00 -0.52 0.00 0.00 57.07 55.79 2f17 s TYR 19 Cb 0.00 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 2f17 s TYR 19 CO 0.00 -0.53 0.16 0.00 -1.52 0.00 0.00 175.55 173.66 2f17 s LEU 21 N -3.23 1.99 -0.13 0.00 2.96 0.13 -0.95 118.68 119.45 2f17 s LEU 21 Ca 0.32 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2f17 s LEU 21 Cb -0.10 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.36 2f17 s LEU 21 CO 0.24 0.16 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.56 2f17 s VAL 22 N 0.25 1.75 -0.26 1.68 1.01 0.07 -1.31 120.40 123.59 2f17 s VAL 22 Ca -0.13 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 2f17 s VAL 22 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2f17 s VAL 22 CO 0.06 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.09 2f17 s VAL 23 N 1.04 4.84 0.55 2.92 1.01 -0.48 0.03 120.40 130.31 2f17 s VAL 23 Ca -0.04 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2f17 s VAL 23 Cb -0.15 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.02 2f17 s VAL 23 CO -0.04 0.31 0.75 -0.76 0.00 0.00 0.00 175.10 175.36 2f17 s LEU 24 N 1.56 3.28 -1.26 3.92 1.43 -0.50 -1.01 118.68 126.09 2f17 s LEU 24 Ca 0.06 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 2f17 s LEU 24 Cb -0.15 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.92 2f17 s LEU 24 CO 0.07 -1.22 1.90 -3.20 0.23 0.00 0.00 176.35 174.13 2f17 n ASN 25 N -2.23 4.12 -3.53 2.29 5.15 -1.26 -4.02 115.26 115.78 2f17 n ASN 25 Ca 0.12 -2.84 -0.13 0.00 -0.60 0.00 0.00 54.58 51.14 2f17 n ASN 25 Cb 0.60 -1.67 -0.04 0.00 -0.53 0.00 0.00 39.78 38.14 2f17 n ASN 25 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2f17 s GLN 26 N 4.55 1.13 0.10 1.20 -1.52 -1.26 -4.87 119.66 118.98 2f17 s GLN 26 Ca 0.56 -0.36 -0.35 0.00 -1.95 0.00 0.00 55.36 53.25 2f17 s GLN 26 Cb 0.06 0.51 -0.15 0.00 -0.22 0.00 0.00 33.01 33.21 2f17 s GLN 26 CO 0.06 -0.44 1.50 -2.30 -0.25 0.00 0.00 175.29 173.86 2f17 n PRO 27 N 0.07 1.69 -2.63 2.91 -0.02 -1.26 -4.89 135.00 130.86 2f17 n PRO 27 Ca -0.17 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2f17 n PRO 27 Cb 0.62 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2f17 n PRO 27 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2f17 s LEU 28 N 1.00 4.36 0.38 2.45 1.43 -1.26 -4.89 118.68 122.15 2f17 s LEU 28 Ca 0.83 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 55.43 2f17 s LEU 28 Cb -0.81 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 2f17 s LEU 28 CO 0.43 -0.34 0.96 -1.81 0.23 0.00 0.00 176.35 175.83 2f17 s ASP 29 N 1.05 7.07 0.48 2.29 1.01 -1.26 -4.95 116.67 122.36 2f17 s ASP 29 Ca 0.53 1.79 0.29 0.00 0.71 0.00 0.00 52.55 55.88 2f17 s ASP 29 Cb -0.23 -2.56 1.37 0.00 1.01 0.00 0.00 42.92 42.51 2f17 s ASP 29 CO 0.27 -0.26 1.78 0.00 0.21 0.00 0.00 175.17 177.17 2f17 h ALA 30 N 2.49 2.76 0.00 5.23 0.00 -1.99 -0.19 119.26 127.55 2f17 h ALA 30 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2f17 h ALA 30 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2f17 h ALA 30 CO 0.63 -1.14 0.00 2.89 0.00 0.00 0.00 179.25 181.63 2f17 n ARG 31 N -4.39 0.00 -0.32 0.00 1.85 -1.26 -3.23 116.66 109.32 2f17 n ARG 31 Ca 0.26 0.41 -0.01 0.00 -1.00 0.00 0.00 57.85 57.51 2f17 n ARG 31 Cb 1.12 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 31.18 2f17 n ARG 31 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2f17 h PHE 32 N 0.00 1.15 -0.08 2.89 -5.15 -1.40 -2.74 116.94 111.61 2f17 h PHE 32 Ca 0.00 0.02 0.01 0.00 -0.20 0.00 0.00 57.97 57.80 2f17 h PHE 32 Cb 0.07 -0.39 -0.01 0.00 0.22 0.00 0.00 35.95 35.85 2f17 h PHE 32 CO 0.00 0.74 0.02 0.00 -2.00 0.00 0.00 178.31 177.07 2f17 h ARG 33 N 1.23 0.05 -0.81 6.09 3.08 -1.80 0.65 114.38 122.87 2f17 h ARG 33 Ca 0.33 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 2f17 h ARG 33 Cb -0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2f17 h ARG 33 CO -0.07 0.04 0.36 1.25 -1.07 0.00 0.00 179.97 180.48 2f17 h HIS 34 N 0.06 1.20 -0.53 3.04 2.76 -1.79 -1.76 115.15 118.12 2f17 h HIS 34 Ca 0.04 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.06 2f17 h HIS 34 Cb 0.03 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 2f17 h HIS 34 CO -0.11 0.88 0.04 -0.07 -1.30 0.00 0.00 177.93 177.37 2f17 h LEU 35 N 1.17 0.83 -0.35 0.26 3.38 -1.17 -2.98 115.31 116.46 2f17 h LEU 35 Ca 0.28 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2f17 h LEU 35 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2f17 h LEU 35 CO -0.03 0.88 0.04 -0.25 0.09 0.00 0.00 178.44 179.16 2f17 h TRP 36 N 0.81 0.63 -0.35 1.13 2.91 -0.47 -2.70 115.95 117.91 2f17 h TRP 36 Ca 0.16 -0.10 0.08 0.00 1.13 0.00 0.00 58.89 60.16 2f17 h TRP 36 Cb 0.44 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 28.83 2f17 h TRP 36 CO 0.03 0.67 -0.23 -0.22 -1.03 0.00 0.00 178.44 177.66 2f17 h LYS 37 N 0.41 -0.17 -0.07 2.65 3.64 -1.17 -2.64 116.57 119.22 2f17 h LYS 37 Ca 0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2f17 h LYS 37 Cb 0.39 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2f17 h LYS 37 CO 0.01 -0.11 0.00 1.63 -2.27 0.00 0.00 179.45 178.71 2f17 n LYS 38 N -5.38 1.75 -2.20 1.90 5.02 -1.20 -4.94 118.16 113.12 2f17 n LYS 38 Ca 0.01 -1.10 -0.38 0.00 -2.02 0.00 0.00 58.31 54.82 2f17 n LYS 38 Cb 0.29 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 2f17 n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2f17 s ALA 39 N -1.92 3.09 0.14 7.82 0.00 -1.00 -4.68 121.76 125.21 2f17 s ALA 39 Ca 0.36 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.42 2f17 s ALA 39 Cb 0.20 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 2f17 s ALA 39 CO 0.31 -0.69 1.32 -0.07 0.00 0.00 0.00 175.76 176.63 2f17 h LEU 40 N 2.36 0.05 -7.24 0.00 3.38 -0.55 -3.46 115.31 109.85 2f17 h LEU 40 Ca -0.49 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.32 2f17 h LEU 40 Cb 1.25 -0.02 -0.23 0.00 0.09 0.00 0.00 40.66 41.75 2f17 h LEU 40 CO 0.61 0.97 -0.15 -0.22 0.09 0.00 0.00 178.44 179.74 2f17 s LEU 41 N -6.93 0.17 0.06 1.67 2.96 -1.25 -5.03 118.68 110.33 2f17 s LEU 41 Ca -0.00 0.97 0.06 0.00 -0.22 0.00 0.00 54.13 54.94 2f17 s LEU 41 Cb 0.10 1.64 -0.03 0.00 0.50 0.00 0.00 46.19 48.41 2f17 s LEU 41 CO 0.82 -0.17 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.38 2f17 s ARG 42 N 0.26 1.03 0.21 1.98 0.52 -1.26 0.21 118.95 121.90 2f17 s ARG 42 Ca -0.00 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 2f17 s ARG 42 Cb -0.03 -1.11 -0.00 0.00 0.52 0.00 0.00 34.95 34.32 2f17 s ARG 42 CO 0.01 0.27 0.39 0.00 0.02 0.00 0.00 175.30 175.98 2f17 s ALA 43 N -0.99 -0.14 0.02 2.13 0.00 -0.43 -1.31 121.76 121.03 2f17 s ALA 43 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2f17 s ALA 43 Cb -0.09 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 2f17 s ALA 43 CO 0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 175.76 174.94 2f17 s ALA 45 N -0.61 3.36 0.00 0.00 0.00 -0.18 -1.59 121.76 122.74 2f17 s ALA 45 Ca -0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2f17 s ALA 45 Cb -0.06 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2f17 s ALA 45 CO 0.00 -1.33 0.00 -3.47 0.00 0.00 0.00 175.76 170.97 2f17 n ASP 46 N 5.06 0.00 -0.27 0.00 -0.08 0.57 -0.11 116.55 121.71 2f17 n ASP 46 Ca -0.12 0.00 0.33 0.00 -1.51 0.00 0.00 54.79 53.50 2f17 n ASP 46 Cb 0.47 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.66 2f17 n ASP 46 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2f17 h GLY 47 N 0.00 0.00 -0.32 0.27 0.00 -1.91 -1.21 103.07 99.90 2f17 h GLY 47 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.64 2f17 h GLY 47 CO 0.00 0.00 0.75 -1.33 0.00 0.00 0.00 176.54 175.96 2f17 h GLY 48 N 0.00 0.86 1.26 4.60 0.00 -0.65 0.34 103.07 109.48 2f17 h GLY 48 Ca 0.52 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.65 2f17 h GLY 48 CO -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 176.54 176.44 2f17 h ALA 49 N 1.55 1.04 -0.34 3.60 0.00 -1.42 -2.08 119.26 121.61 2f17 h ALA 49 Ca 0.61 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2f17 h ALA 49 Cb 1.86 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2f17 h ALA 49 CO -0.22 0.60 0.21 -0.91 0.00 0.00 0.00 179.25 178.94 2f17 h ASN 50 N 0.84 0.36 -0.31 0.00 2.35 -0.50 0.18 115.58 118.50 2f17 h ASN 50 Ca 0.16 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2f17 h ASN 50 Cb 0.45 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2f17 h ASN 50 CO 0.02 0.26 0.04 0.45 -1.65 0.00 0.00 177.43 176.55 2f17 h HIS 51 N 0.44 0.64 -0.06 1.19 3.86 -1.36 -0.16 115.15 119.69 2f17 h HIS 51 Ca 0.13 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2f17 h HIS 51 Cb -0.03 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.25 2f17 h HIS 51 CO -0.06 0.59 -0.15 1.25 0.86 0.00 0.00 177.93 180.42 2f17 h LEU 52 N 0.60 0.24 -0.26 2.43 5.85 -0.94 -2.92 115.31 120.32 2f17 h LEU 52 Ca 0.13 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.30 2f17 h LEU 52 Cb 0.31 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2f17 h LEU 52 CO 0.01 0.79 -0.01 0.22 -0.34 0.00 0.00 178.44 179.11 2f17 h TYR 53 N -0.30 -0.03 0.00 1.25 3.20 -0.42 -2.68 116.97 117.99 2f17 h TYR 53 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2f17 h TYR 53 Cb 0.76 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.08 2f17 h TYR 53 CO 0.12 -0.05 0.00 -0.44 -1.64 0.00 0.00 178.16 176.15 2f17 h ASP 54 N 0.07 0.00 -0.30 -2.11 3.32 -1.09 -3.14 116.42 113.17 2f17 h ASP 54 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2f17 h ASP 54 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2f17 h ASP 54 CO -0.22 0.00 0.00 -0.11 -1.72 0.00 0.00 179.24 177.19 2f17 n LEU 55 N -2.92 3.03 -1.75 1.55 7.94 -1.03 -4.53 117.00 119.29 2f17 n LEU 55 Ca 0.00 -1.51 -0.08 0.00 -1.11 0.00 0.00 56.01 53.31 2f17 n LEU 55 Cb 0.26 -0.19 0.07 0.00 0.53 0.00 0.00 43.42 44.09 2f17 n LEU 55 CO 0.25 0.66 0.18 0.35 -1.11 0.00 0.00 177.39 177.72 2f17 n THR 56 N 1.10 1.91 -2.04 1.96 -2.24 -1.10 -5.08 114.28 108.78 2f17 n THR 56 Ca 0.15 -3.35 -0.40 0.00 -2.27 0.00 0.00 64.05 58.18 2f17 n THR 56 Cb 0.50 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 2f17 n THR 56 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2f17 s GLU 57 N -3.13 4.12 0.00 -0.78 2.12 -1.26 -1.22 118.70 118.55 2f17 s GLU 57 Ca 0.41 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.97 2f17 s GLU 57 Cb 0.38 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.88 2f17 s GLU 57 CO -0.03 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 2f17 n GLY 58 N 0.69 2.34 0.79 -1.50 0.00 -1.26 -4.71 105.19 101.54 2f17 n GLY 58 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 2f17 n GLY 58 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2f17 n GLU 59 N -2.00 0.00 0.26 1.61 0.28 -1.04 -4.93 120.64 114.82 2f17 n GLU 59 Ca 0.00 -0.96 0.10 0.00 -0.16 0.00 0.00 57.16 56.14 2f17 n GLU 59 Cb 0.00 -0.12 0.72 0.00 1.43 0.00 0.00 31.44 33.47 2f17 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f17 h ARG 60 N 0.22 0.00 0.00 3.44 3.08 -1.45 0.11 114.38 119.78 2f17 h ARG 60 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2f17 h ARG 60 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 2f17 h ARG 60 CO -0.02 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.27 2f17 n GLU 61 N -4.34 0.07 0.00 0.04 1.02 -1.26 -0.87 120.64 115.30 2f17 n GLU 61 Ca -0.03 0.31 0.11 0.00 -0.02 0.00 0.00 57.16 57.54 2f17 n GLU 61 Cb 0.11 -1.63 0.14 0.00 -0.02 0.00 0.00 31.44 30.03 2f17 n GLU 61 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2f17 n SER 62 N -1.77 0.79 -3.12 1.62 7.64 0.38 -4.35 113.62 114.81 2f17 n SER 62 Ca 0.03 -0.61 -0.24 0.00 1.01 0.00 0.00 58.87 59.06 2f17 n SER 62 Cb 0.20 0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.82 2f17 n SER 62 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2f17 n PHE 63 N -1.33 2.29 -3.60 1.43 3.01 -0.05 -5.05 117.46 114.17 2f17 n PHE 63 Ca 0.06 -3.92 -0.40 0.00 1.01 0.00 0.00 57.45 54.21 2f17 n PHE 63 Cb 0.34 -0.46 -0.11 0.00 -0.01 0.00 0.00 39.48 39.24 2f17 n PHE 63 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2f17 s LEU 64 N -2.72 4.34 0.78 4.37 1.43 -1.22 -4.93 118.68 120.73 2f17 s LEU 64 Ca 0.43 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 2f17 s LEU 64 Cb 0.27 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2f17 s LEU 64 CO -0.10 -0.23 1.22 -2.84 0.23 0.00 0.00 176.35 174.64 2f17 s PRO 65 N 1.65 1.81 0.18 1.29 0.02 -1.26 -4.91 135.00 133.78 2f17 s PRO 65 Ca 0.05 1.82 0.08 0.00 0.02 0.00 0.00 61.00 62.98 2f17 s PRO 65 Cb -0.17 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.59 2f17 s PRO 65 CO 0.08 -2.10 1.42 1.49 -0.33 0.00 0.00 177.00 177.56 2f17 h GLU 66 N -0.62 0.00 -1.70 5.54 4.22 -1.60 -3.43 114.58 117.00 2f17 h GLU 66 Ca -0.47 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.00 2f17 h GLU 66 Cb 1.30 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.34 2f17 h GLU 66 CO 0.47 0.84 0.43 -0.59 -2.18 0.00 0.00 179.01 177.98 2f17 s PHE 67 N -3.09 -0.47 -0.25 0.92 -0.71 -1.23 -3.22 117.98 109.93 2f17 s PHE 67 Ca -0.00 0.83 0.02 0.00 -1.04 0.00 0.00 56.93 56.73 2f17 s PHE 67 Cb 0.11 0.43 0.06 0.00 -1.21 0.00 0.00 43.02 42.41 2f17 s PHE 67 CO 0.80 -0.42 -0.08 0.08 -1.34 0.00 0.00 175.22 174.26 2f17 s VAL 68 N -1.05 1.85 0.31 -2.49 1.01 0.82 -2.47 120.40 118.37 2f17 s VAL 68 Ca -0.04 -1.44 0.09 0.00 0.00 0.00 0.00 61.98 60.58 2f17 s VAL 68 Cb -0.01 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2f17 s VAL 68 CO 0.04 -0.08 0.08 -0.94 0.00 0.00 0.00 175.10 174.21 2f17 s SER 69 N 1.25 4.66 0.00 3.32 1.04 -0.62 -1.20 113.70 122.14 2f17 s SER 69 Ca -0.07 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2f17 s SER 69 Cb -0.19 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.12 2f17 s SER 69 CO -0.06 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2f17 n GLY 70 N -1.04 0.15 0.00 7.32 0.00 -0.98 -0.32 105.19 110.32 2f17 n GLY 70 Ca -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2f17 n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f17 n ASP 71 N 0.00 0.84 -2.73 1.61 5.75 -1.26 0.14 116.55 120.90 2f17 n ASP 71 Ca 0.00 -1.19 -0.21 0.00 -0.01 0.00 0.00 54.79 53.38 2f17 n ASP 71 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 2f17 n ASP 71 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2f17 n PHE 72 N -0.10 -1.67 -1.20 2.11 0.99 -1.26 -4.84 117.46 111.49 2f17 n PHE 72 Ca 0.00 0.39 -0.08 0.00 -0.00 0.00 0.00 57.45 57.76 2f17 n PHE 72 Cb 0.16 -4.22 0.24 0.00 -1.00 0.00 0.00 39.48 34.66 2f17 n PHE 72 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2f17 n ASP 73 N -2.18 3.78 0.00 4.37 5.75 -1.26 -4.39 116.55 122.62 2f17 n ASP 73 Ca -0.13 -3.45 0.00 0.00 -0.01 0.00 0.00 54.79 51.20 2f17 n ASP 73 Cb 0.63 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2f17 n ASP 73 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2f17 n SER 74 N -0.73 0.00 -4.71 -1.12 7.64 -1.26 -4.98 113.62 108.47 2f17 n SER 74 Ca 0.41 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 2f17 n SER 74 Cb 1.29 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 64.47 2f17 n SER 74 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2f17 s ILE 75 N -1.02 4.16 0.54 0.44 -4.36 -1.26 -4.67 121.20 115.02 2f17 s ILE 75 Ca 0.00 1.54 -0.22 0.00 -0.26 0.00 0.00 60.65 61.72 2f17 s ILE 75 Cb 0.00 -3.99 -0.05 0.00 1.25 0.00 0.00 42.46 39.67 2f17 s ILE 75 CO 0.00 0.11 1.32 -0.13 0.24 0.00 0.00 174.94 176.48 2f17 s ARG 76 N 1.11 3.20 0.19 0.37 0.52 -1.26 -4.76 118.95 118.32 2f17 s ARG 76 Ca 0.58 2.14 -0.18 0.00 -0.52 0.00 0.00 55.73 57.75 2f17 s ARG 76 Cb -0.28 -2.25 0.16 0.00 0.52 0.00 0.00 34.95 33.10 2f17 s ARG 76 CO 0.29 -1.11 1.61 -1.35 0.02 0.00 0.00 175.30 174.76 2f17 h PRO 77 N 1.49 -0.10 -0.36 3.54 0.11 -1.98 0.65 132.00 135.34 2f17 h PRO 77 Ca -0.51 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2f17 h PRO 77 Cb 1.29 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 2f17 h PRO 77 CO 0.57 -0.07 0.02 1.05 -0.21 0.00 0.00 178.00 179.37 2f17 h GLU 78 N -0.11 0.56 -0.25 1.05 9.09 -1.99 -0.07 114.58 122.86 2f17 h GLU 78 Ca 0.25 -0.11 -0.19 0.00 0.05 0.00 0.00 59.36 59.35 2f17 h GLU 78 Cb 0.50 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 2f17 h GLU 78 CO -0.62 0.57 -0.60 0.28 0.05 0.00 0.00 179.01 178.69 2f17 h VAL 79 N 0.54 1.28 -0.71 -1.06 2.07 -1.55 -0.71 116.25 116.10 2f17 h VAL 79 Ca 0.12 -1.79 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 2f17 h VAL 79 Cb 0.31 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2f17 h VAL 79 CO 0.01 0.58 0.24 0.50 0.02 0.00 0.00 177.57 178.92 2f17 h LYS 80 N 0.63 1.09 0.86 1.57 3.64 -0.54 -2.86 116.57 120.95 2f17 h LYS 80 Ca -0.00 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 2f17 h LYS 80 Cb 1.21 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2f17 h LYS 80 CO 0.13 0.91 -0.41 1.49 -2.27 0.00 0.00 179.45 179.30 2f17 h GLU 81 N 1.05 -1.11 -0.58 1.90 4.81 -0.86 -2.62 114.58 117.17 2f17 h GLU 81 Ca 0.23 0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 2f17 h GLU 81 Cb 0.27 0.25 -0.11 0.00 0.63 0.00 0.00 28.75 29.79 2f17 h GLU 81 CO -0.01 -0.74 -0.43 -0.92 -0.73 0.00 0.00 179.01 176.18 2f17 h TYR 82 N -1.26 -1.27 0.00 0.92 3.20 -1.08 0.16 116.97 117.64 2f17 h TYR 82 Ca -0.12 0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2f17 h TYR 82 Cb 0.88 0.64 -0.00 0.00 1.54 0.00 0.00 36.73 39.79 2f17 h TYR 82 CO 0.01 -0.42 -0.15 1.88 -1.64 0.00 0.00 178.16 177.84 2f17 h TYR 83 N -0.23 0.00 -0.04 -3.82 0.99 -1.58 -1.91 116.97 110.38 2f17 h TYR 83 Ca 0.18 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.69 2f17 h TYR 83 Cb 0.56 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.30 2f17 h TYR 83 CO -0.71 0.15 -0.87 1.15 -0.00 0.00 0.00 178.16 177.87 2f17 h THR 84 N 0.00 1.36 0.00 -2.88 2.02 -0.63 0.15 112.91 112.94 2f17 h THR 84 Ca -0.00 -2.28 -0.10 0.00 0.77 0.00 0.00 66.41 64.80 2f17 h THR 84 Cb 0.34 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 2f17 h THR 84 CO 0.02 0.69 -0.49 0.07 0.37 0.00 0.00 175.52 176.17 2f17 h LYS 85 N 0.30 0.00 -0.03 6.66 2.10 -0.69 -3.04 116.57 121.88 2f17 h LYS 85 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2f17 h LYS 85 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2f17 h LYS 85 CO 0.16 0.49 0.00 1.63 -2.00 0.00 0.00 179.45 179.73 2f17 n LYS 86 N -3.39 1.32 0.00 0.07 4.76 -0.76 -4.91 118.16 115.25 2f17 n LYS 86 Ca 0.01 -0.47 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 2f17 n LYS 86 Cb 0.65 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 2f17 n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2f17 n GLY 87 N 1.05 0.38 3.78 0.72 0.00 -1.15 -5.07 105.19 104.89 2f17 n GLY 87 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2f17 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f17 s ASP 89 N -0.20 6.54 -0.46 0.00 2.15 -1.20 -4.48 116.67 119.02 2f17 s ASP 89 Ca 0.52 0.23 -0.19 0.00 0.43 0.00 0.00 52.55 53.54 2f17 s ASP 89 Cb -0.45 -2.48 0.04 0.00 -0.30 0.00 0.00 42.92 39.73 2f17 s ASP 89 CO 0.61 -1.09 0.55 -0.76 -0.17 0.00 0.00 175.17 174.31 2f17 s LEU 90 N 3.91 4.85 -0.22 -1.34 2.01 -1.26 -0.13 118.68 126.51 2f17 s LEU 90 Ca 0.40 -0.71 -0.06 0.00 0.01 0.00 0.00 54.13 53.76 2f17 s LEU 90 Cb -0.09 -2.48 -0.03 0.00 0.01 0.00 0.00 46.19 43.60 2f17 s LEU 90 CO 0.27 -0.74 0.03 -0.63 1.01 0.00 0.00 176.35 176.30 2f17 s ILE 91 N 2.44 4.14 0.03 -0.59 1.01 -0.34 -4.98 121.20 122.92 2f17 s ILE 91 Ca 0.15 -0.24 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 2f17 s ILE 91 Cb -0.17 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2f17 s ILE 91 CO 0.14 0.39 0.77 -0.55 0.00 0.00 0.00 174.94 175.70 2f17 s SER 92 N 1.22 7.20 -0.50 3.58 0.15 -1.26 -2.32 113.70 121.76 2f17 s SER 92 Ca 0.04 1.44 0.05 0.00 0.70 0.00 0.00 55.95 58.17 2f17 s SER 92 Cb -0.14 -2.47 0.18 0.00 -1.71 0.00 0.00 66.02 61.88 2f17 s SER 92 CO 0.02 -0.01 0.42 0.35 1.20 0.00 0.00 173.24 175.22 2f17 n THR 93 N 2.96 -0.19 -0.30 6.45 -2.24 0.38 -4.88 114.28 116.46 2f17 n THR 93 Ca -0.02 -3.98 0.07 0.00 -2.27 0.00 0.00 64.05 57.86 2f17 n THR 93 Cb 0.50 -1.85 0.22 0.00 -2.10 0.00 0.00 70.33 67.10 2f17 n THR 93 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2f17 h PRO 94 N 5.33 0.60 -1.94 -0.78 0.11 -1.94 -3.39 132.00 130.00 2f17 h PRO 94 Ca 0.21 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 66.03 2f17 h PRO 94 Cb 0.85 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 2f17 h PRO 94 CO 0.50 0.40 0.39 -3.47 -0.21 0.00 0.00 178.00 175.61 2f17 n ASP 95 N -4.87 0.27 -0.94 -2.05 -0.08 -1.26 -4.81 116.55 102.81 2f17 n ASP 95 Ca 0.17 0.25 0.06 0.00 -1.51 0.00 0.00 54.79 53.76 2f17 n ASP 95 Cb 0.43 -0.29 0.20 0.00 2.34 0.00 0.00 41.12 43.81 2f17 n ASP 95 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f17 n GLN 96 N 2.24 2.36 0.00 -0.67 1.13 -1.26 -3.60 117.38 117.57 2f17 n GLN 96 Ca 0.17 -1.64 0.07 0.00 -1.94 0.00 0.00 57.00 53.66 2f17 n GLN 96 Cb -0.01 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.81 2f17 n GLN 96 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2f17 n ASP 97 N 0.66 1.36 -3.94 1.08 10.43 -1.26 -4.97 116.55 119.90 2f17 n ASP 97 Ca 0.15 -1.18 -0.12 0.00 2.57 0.00 0.00 54.79 56.21 2f17 n ASP 97 Cb 0.49 0.59 -0.13 0.00 1.84 0.00 0.00 41.12 43.91 2f17 n ASP 97 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 2f17 s HIS 98 N -1.95 0.24 0.77 1.24 3.76 -1.24 -5.15 115.29 112.96 2f17 s HIS 98 Ca 0.11 -0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 54.68 2f17 s HIS 98 Cb 0.12 -0.16 0.06 0.00 1.11 0.00 0.00 32.58 33.71 2f17 s HIS 98 CO 0.43 -0.07 1.08 0.95 -0.85 0.00 0.00 174.74 176.29 2f17 s THR 99 N -0.62 3.39 0.42 1.30 -4.23 -1.26 -4.87 115.64 109.77 2f17 s THR 99 Ca -0.06 0.45 0.17 0.00 -1.18 0.00 0.00 61.69 61.08 2f17 s THR 99 Cb -0.05 -3.07 0.19 0.00 1.34 0.00 0.00 72.50 70.91 2f17 s THR 99 CO -0.00 -0.59 1.97 0.44 -0.54 0.00 0.00 174.62 175.89 2f17 h ASP 100 N -1.06 0.00 0.33 3.99 3.32 -1.93 -1.99 116.42 119.09 2f17 h ASP 100 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2f17 h ASP 100 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2f17 h ASP 100 CO 0.55 0.22 -0.16 0.15 -1.72 0.00 0.00 179.24 178.28 2f17 h PHE 101 N 0.00 -0.41 0.08 4.55 -0.00 -1.94 0.41 116.94 119.63 2f17 h PHE 101 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 2f17 h PHE 101 Cb 0.42 0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 36.50 2f17 h PHE 101 CO 0.00 -0.23 -0.07 1.15 -0.00 0.00 0.00 178.31 179.17 2f17 h THR 102 N -0.49 0.85 -0.48 4.41 2.02 -1.86 -1.96 112.91 115.40 2f17 h THR 102 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2f17 h THR 102 Cb 0.37 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2f17 h THR 102 CO 0.07 0.00 0.32 0.11 0.37 0.00 0.00 175.52 176.39 2f17 h LYS 103 N -0.16 0.60 -0.47 6.66 1.57 -1.27 -1.31 116.57 122.19 2f17 h LYS 103 Ca -0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2f17 h LYS 103 Cb 0.14 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2f17 h LYS 103 CO -0.01 0.39 -0.01 0.00 -0.57 0.00 0.00 179.45 179.26 2f17 h LEU 105 N 0.72 0.70 -0.67 0.00 3.38 -0.51 0.45 115.31 119.38 2f17 h LEU 105 Ca 0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2f17 h LEU 105 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2f17 h LEU 105 CO 0.02 0.89 0.25 1.56 0.09 0.00 0.00 178.44 181.25 2f17 h GLN 106 N 0.61 1.01 -0.33 1.13 4.20 -0.94 0.28 115.11 121.07 2f17 h GLN 106 Ca 0.09 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 2f17 h GLN 106 Cb 0.67 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2f17 h GLN 106 CO 0.05 0.86 -0.27 0.28 -0.67 0.00 0.00 178.83 179.07 2f17 h VAL 107 N 0.95 1.29 -0.19 -0.54 2.07 -1.08 -2.43 116.25 116.33 2f17 h VAL 107 Ca 0.22 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 2f17 h VAL 107 Cb 0.24 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2f17 h VAL 107 CO -0.01 0.47 0.10 0.25 0.02 0.00 0.00 177.57 178.40 2f17 h LEU 108 N 0.54 0.23 -0.61 2.57 5.85 -0.53 -0.84 115.31 122.53 2f17 h LEU 108 Ca 0.06 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2f17 h LEU 108 Cb 0.84 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2f17 h LEU 108 CO 0.07 0.24 0.31 -0.61 -0.34 0.00 0.00 178.44 178.12 2f17 h GLN 109 N 0.20 0.56 -0.55 1.25 5.75 -0.44 0.52 115.11 122.41 2f17 h GLN 109 Ca 0.07 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2f17 h GLN 109 Cb 0.06 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2f17 h GLN 109 CO -0.01 0.37 0.26 -0.09 -2.65 0.00 0.00 178.83 176.71 2f17 h ARG 110 N 0.58 0.79 0.00 1.69 2.43 -1.15 -1.83 114.38 116.89 2f17 h ARG 110 Ca 0.28 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2f17 h ARG 110 Cb 0.20 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2f17 h ARG 110 CO -0.19 0.65 -0.20 0.87 -1.51 0.00 0.00 179.97 179.59 2f17 h LYS 111 N 0.74 0.00 0.19 0.20 1.57 -0.42 -0.50 116.57 118.35 2f17 h LYS 111 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2f17 h LYS 111 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2f17 h LYS 111 CO -0.02 0.20 -0.09 0.82 -0.57 0.00 0.00 179.45 179.79 2f17 h ILE 112 N 0.00 0.89 -0.31 1.86 2.04 -0.12 -2.00 117.51 119.88 2f17 h ILE 112 Ca -0.00 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 2f17 h ILE 112 Cb 0.53 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2f17 h ILE 112 CO 0.03 0.18 -0.01 -0.33 0.00 0.00 0.00 178.15 178.02 2f17 h GLU 113 N -0.71 0.56 0.00 2.37 5.08 -1.33 -2.41 114.58 118.14 2f17 h GLU 113 Ca -0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2f17 h GLU 113 Cb 0.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2f17 h GLU 113 CO 0.04 0.70 0.00 1.49 -1.00 0.00 0.00 179.01 180.25 2f17 h GLU 114 N 0.35 0.00 -0.25 2.33 4.81 -1.16 0.23 114.58 120.89 2f17 h GLU 114 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2f17 h GLU 114 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2f17 h GLU 114 CO 0.02 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.93 2f17 n LYS 115 N -2.71 2.79 -4.21 1.92 5.02 -0.75 -4.98 118.16 115.23 2f17 n LYS 115 Ca -0.02 -2.42 -0.32 0.00 -2.02 0.00 0.00 58.31 53.53 2f17 n LYS 115 Cb 0.05 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 2f17 n LYS 115 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2f17 n GLU 116 N -0.19 -0.84 -4.19 1.97 -0.58 0.07 -4.94 120.64 111.95 2f17 n GLU 116 Ca 0.16 0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.78 2f17 n GLU 116 Cb 0.65 -3.24 -0.12 0.00 -0.57 0.00 0.00 31.44 28.16 2f17 n GLU 116 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2f17 s LEU 117 N -7.21 2.29 0.05 -4.62 0.05 -0.94 -5.06 118.68 103.24 2f17 s LEU 117 Ca 0.07 -0.64 0.05 0.00 0.05 0.00 0.00 54.13 53.66 2f17 s LEU 117 Cb -0.04 -0.55 -0.03 0.00 -2.05 0.00 0.00 46.19 43.52 2f17 s LEU 117 CO 0.95 -0.07 -0.13 -1.58 -0.55 0.00 0.00 176.35 174.97 2f17 s GLN 118 N -1.82 0.83 0.20 1.48 2.00 -1.26 -4.55 119.66 116.53 2f17 s GLN 118 Ca -0.00 -0.84 0.08 0.00 -2.00 0.00 0.00 55.36 52.59 2f17 s GLN 118 Cb -0.10 -0.82 -0.04 0.00 0.80 0.00 0.00 33.01 32.85 2f17 s GLN 118 CO 0.02 0.19 0.02 0.08 -0.50 0.00 0.00 175.29 175.10 2f17 s VAL 119 N -1.08 3.73 -0.13 1.34 1.01 -1.26 -4.94 120.40 119.08 2f17 s VAL 119 Ca -0.01 -1.52 0.20 0.00 0.00 0.00 0.00 61.98 60.65 2f17 s VAL 119 Cb -0.09 -2.92 -0.19 0.00 0.00 0.00 0.00 36.38 33.18 2f17 s VAL 119 CO 0.02 -0.19 0.65 0.47 0.00 0.00 0.00 175.10 176.05 2f17 n ASP 120 N -0.38 0.42 -3.54 3.32 8.00 -0.39 -4.89 116.55 119.09 2f17 n ASP 120 Ca -0.09 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 2f17 n ASP 120 Cb 0.56 1.04 -0.05 0.00 -0.02 0.00 0.00 41.12 42.65 2f17 n ASP 120 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2f17 s VAL 121 N -3.20 0.00 -0.29 2.53 0.11 -1.25 -4.22 120.40 114.09 2f17 s VAL 121 Ca -0.05 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2f17 s VAL 121 Cb 0.11 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2f17 s VAL 121 CO 0.85 0.00 0.04 -0.63 -3.33 0.00 0.00 175.10 172.03 2f17 s ILE 122 N -1.42 3.59 -0.34 7.04 1.01 0.34 -2.40 121.20 129.02 2f17 s ILE 122 Ca -0.04 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 2f17 s ILE 122 Cb -0.00 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 2f17 s ILE 122 CO 0.03 0.07 0.46 -0.69 0.00 0.00 0.00 174.94 174.82 2f17 s VAL 123 N 1.43 5.07 -0.19 2.92 1.01 -0.12 -1.54 120.40 128.97 2f17 s VAL 123 Ca 0.01 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 2f17 s VAL 123 Cb -0.17 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2f17 s VAL 123 CO 0.00 -0.14 0.07 -0.89 0.00 0.00 0.00 175.10 174.15 2f17 s THR 124 N 2.26 4.86 -0.20 3.92 2.01 0.13 -0.75 115.64 127.86 2f17 s THR 124 Ca 0.17 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.08 2f17 s THR 124 Cb -0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2f17 s THR 124 CO 0.12 0.45 0.07 -0.76 -0.69 0.00 0.00 174.62 173.82 2f17 s LEU 125 N 0.42 3.75 0.00 4.42 1.43 0.10 -0.34 118.68 128.46 2f17 s LEU 125 Ca 0.04 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2f17 s LEU 125 Cb -0.12 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2f17 s LEU 125 CO 0.00 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2f17 n GLY 126 N 3.93 -0.22 0.00 -3.19 0.00 0.14 -1.42 105.19 104.44 2f17 n GLY 126 Ca -0.16 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2f17 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f17 n GLY 127 N -0.28 0.35 0.40 -0.02 0.00 -1.26 -4.53 105.19 99.83 2f17 n GLY 127 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2f17 n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f17 n LEU 128 N 0.00 1.91 0.00 0.99 4.77 -1.26 -4.27 117.00 119.14 2f17 n LEU 128 Ca 0.00 -1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 54.61 2f17 n LEU 128 Cb 0.00 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2f17 n LEU 128 CO 0.00 0.39 -0.17 0.61 -1.33 0.00 0.00 177.39 176.90 2f17 n GLY 129 N 0.50 3.56 7.00 -0.72 0.00 -1.26 -4.97 105.19 109.30 2f17 n GLY 129 Ca 0.06 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2f17 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f17 n GLY 130 N -0.04 -0.08 3.41 -0.02 0.00 -1.26 -4.70 105.19 102.50 2f17 n GLY 130 Ca -0.12 -0.99 -0.58 0.00 0.00 0.00 0.00 46.02 44.34 2f17 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f17 n ARG 131 N 0.00 0.00 -0.14 1.61 1.74 -1.26 -4.84 116.66 113.77 2f17 n ARG 131 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2f17 n ARG 131 Cb 0.00 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 2f17 n ARG 131 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2f17 h PHE 132 N 2.94 0.71 -0.03 -1.55 3.57 -2.00 -2.37 116.94 118.21 2f17 h PHE 132 Ca -0.50 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 60.89 2f17 h PHE 132 Cb 1.39 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2f17 h PHE 132 CO 0.56 0.69 -0.05 0.38 -2.23 0.00 0.00 178.31 177.65 2f17 h ASP 133 N 0.53 0.04 0.47 0.41 2.03 -1.99 -1.56 116.42 116.34 2f17 h ASP 133 Ca 0.13 -0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.23 2f17 h ASP 133 Cb 0.36 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.84 2f17 h ASP 133 CO 0.01 0.10 -0.81 1.56 -1.03 0.00 0.00 179.24 179.07 2f17 h GLN 134 N 0.05 0.26 -0.42 4.15 1.08 -1.86 -0.72 115.11 117.64 2f17 h GLN 134 Ca 0.01 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.95 2f17 h GLN 134 Cb 0.13 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2f17 h GLN 134 CO 0.01 0.94 0.19 0.82 -0.95 0.00 0.00 178.83 179.83 2f17 h ILE 135 N 0.16 1.19 -0.57 2.54 2.04 -0.79 -0.44 117.51 121.64 2f17 h ILE 135 Ca -0.04 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 2f17 h ILE 135 Cb 1.41 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2f17 h ILE 135 CO 0.13 0.21 0.04 0.24 0.00 0.00 0.00 178.15 178.76 2f17 h MET 136 N 0.53 0.95 -0.72 2.37 2.86 -1.28 -2.46 114.93 117.18 2f17 h MET 136 Ca 0.14 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2f17 h MET 136 Cb 0.15 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2f17 h MET 136 CO -0.02 0.92 0.46 0.00 1.06 0.00 0.00 176.91 179.33 2f17 h ALA 137 N 1.15 0.93 -0.66 6.32 0.00 -0.53 0.47 119.26 126.94 2f17 h ALA 137 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2f17 h ALA 137 Cb 0.47 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2f17 h ALA 137 CO 0.02 0.27 0.41 0.77 0.00 0.00 0.00 179.25 180.72 2f17 h SER 138 N 0.92 0.67 -0.57 0.00 0.02 -0.66 0.13 113.55 114.06 2f17 h SER 138 Ca 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2f17 h SER 138 Cb -0.03 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2f17 h SER 138 CO -0.09 0.47 0.32 0.58 -1.14 0.00 0.00 176.83 176.97 2f17 h VAL 139 N 0.80 1.18 0.00 2.27 2.07 -0.94 -2.04 116.25 119.60 2f17 h VAL 139 Ca 0.27 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2f17 h VAL 139 Cb 0.02 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2f17 h VAL 139 CO -0.11 0.19 -0.17 -1.13 0.02 0.00 0.00 177.57 176.38 2f17 h ASN 140 N 0.77 0.00 -0.35 0.57 -1.24 0.23 -2.08 115.58 113.47 2f17 h ASN 140 Ca 0.20 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.08 2f17 h ASN 140 Cb 0.03 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2f17 h ASN 140 CO -0.03 0.17 -0.27 0.74 -1.29 0.00 0.00 177.43 176.74 2f17 h THR 141 N 0.00 1.27 -0.03 -3.57 2.02 -0.06 -2.49 112.91 110.05 2f17 h THR 141 Ca -0.00 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 65.76 2f17 h THR 141 Cb 0.49 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2f17 h THR 141 CO 0.02 0.48 0.03 -0.07 0.37 0.00 0.00 175.52 176.35 2f17 h LEU 142 N 0.74 0.00 -0.02 2.58 3.38 -1.06 0.32 115.31 121.25 2f17 h LEU 142 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2f17 h LEU 142 Cb 0.83 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.58 2f17 h LEU 142 CO 0.07 0.00 -0.34 -0.26 0.09 0.00 0.00 178.44 178.01 2f17 h PHE 143 N 0.00 0.37 -0.03 1.13 -1.00 -1.42 -3.26 116.94 112.73 2f17 h PHE 143 Ca 0.02 -0.19 -0.10 0.00 2.81 0.00 0.00 57.97 60.51 2f17 h PHE 143 Cb 0.08 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2f17 h PHE 143 CO 0.00 0.98 -0.43 1.96 -1.61 0.00 0.00 178.31 179.20 2f17 h GLN 144 N -0.34 0.05 -1.04 1.51 4.20 -1.07 -3.05 115.11 115.38 2f17 h GLN 144 Ca -0.04 -0.03 0.28 0.00 0.06 0.00 0.00 58.65 58.92 2f17 h GLN 144 Cb 1.05 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.76 2f17 h GLN 144 CO 0.07 0.48 0.70 0.00 -0.67 0.00 0.00 178.83 179.41 2f17 h ALA 145 N 1.52 2.50 -0.06 3.87 0.00 -0.44 0.23 119.26 126.88 2f17 h ALA 145 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2f17 h ALA 145 Cb 0.78 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2f17 h ALA 145 CO 0.06 -0.86 0.10 1.15 0.00 0.00 0.00 179.25 179.70 2f17 h THR 146 N 0.26 0.29 -0.02 0.00 2.02 -1.66 0.10 112.91 113.90 2f17 h THR 146 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 2f17 h THR 146 Cb 1.67 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2f17 h THR 146 CO -0.19 0.00 -0.08 1.41 0.37 0.00 0.00 175.52 177.03 2f17 n HIS 147 N -3.49 0.00 -0.10 3.16 -0.00 0.79 -4.50 115.22 111.08 2f17 n HIS 147 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.57 2f17 n HIS 147 Cb 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.07 2f17 n HIS 147 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2f17 n ILE 148 N 0.79 1.24 -3.63 1.59 5.41 0.21 -5.05 119.36 119.93 2f17 n ILE 148 Ca 0.10 -0.56 -0.16 0.00 1.00 0.00 0.00 62.75 63.14 2f17 n ILE 148 Cb 0.44 -1.07 -0.07 0.00 -0.71 0.00 0.00 39.64 38.23 2f17 n ILE 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2f17 s THR 149 N -2.44 0.03 -1.12 1.39 -1.32 -0.35 -4.87 115.64 106.96 2f17 s THR 149 Ca -0.24 -0.22 0.27 0.00 -1.21 0.00 0.00 61.69 60.30 2f17 s THR 149 Cb 0.07 -0.82 0.17 0.00 -1.51 0.00 0.00 72.50 70.40 2f17 s THR 149 CO 0.57 -0.12 1.68 -0.81 -2.21 0.00 0.00 174.62 173.73 2f17 n PRO 150 N 1.07 0.12 -2.70 7.08 -0.04 -1.26 -4.49 135.00 134.78 2f17 n PRO 150 Ca -0.20 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.79 2f17 n PRO 150 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2f17 n PRO 150 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2f17 s VAL 151 N -2.91 4.84 0.44 0.52 1.01 -1.26 -5.01 120.40 118.03 2f17 s VAL 151 Ca 0.15 2.05 -0.25 0.00 0.00 0.00 0.00 61.98 63.94 2f17 s VAL 151 Cb 0.18 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 2f17 s VAL 151 CO 0.60 0.11 1.23 -2.65 0.00 0.00 0.00 175.10 174.38 2f17 n PRO 152 N 4.30 1.78 -4.61 2.72 -0.02 -1.26 -4.73 135.00 133.17 2f17 n PRO 152 Ca 0.07 0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 61.91 2f17 n PRO 152 Cb 0.50 -2.34 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 2f17 n PRO 152 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2f17 s ILE 153 N -1.23 1.41 0.11 4.25 1.01 -1.26 -0.50 121.20 124.99 2f17 s ILE 153 Ca 0.63 -0.62 0.10 0.00 0.00 0.00 0.00 60.65 60.76 2f17 s ILE 153 Cb -0.50 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2f17 s ILE 153 CO 0.57 0.42 -0.24 0.27 0.00 0.00 0.00 174.94 175.96 2f17 s ILE 154 N 0.77 2.44 -0.11 2.92 -4.36 -0.59 -4.57 121.20 117.70 2f17 s ILE 154 Ca -0.12 -1.60 0.03 0.00 -0.26 0.00 0.00 60.65 58.71 2f17 s ILE 154 Cb -0.16 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.48 2f17 s ILE 154 CO 0.02 0.15 -0.23 -0.63 0.24 0.00 0.00 174.94 174.49 2f17 s ILE 155 N -1.04 2.14 -0.01 8.37 1.01 -0.92 -0.69 121.20 130.06 2f17 s ILE 155 Ca 0.15 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2f17 s ILE 155 Cb -0.10 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 2f17 s ILE 155 CO 0.06 0.56 -0.14 -0.63 0.00 0.00 0.00 174.94 174.79 2f17 s ILE 156 N 0.42 1.09 -0.28 2.92 1.01 0.54 -1.49 121.20 125.41 2f17 s ILE 156 Ca -0.16 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 2f17 s ILE 156 Cb -0.17 -0.92 0.09 0.00 0.01 0.00 0.00 42.46 41.47 2f17 s ILE 156 CO 0.07 0.31 0.75 -1.58 0.00 0.00 0.00 174.94 174.49 2f17 s GLN 157 N -0.27 0.70 3.83 2.79 0.74 -0.76 0.27 119.66 126.96 2f17 s GLN 157 Ca 0.04 1.06 0.00 0.00 0.05 0.00 0.00 55.36 56.51 2f17 s GLN 157 Cb -0.06 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.27 2f17 s GLN 157 CO -0.00 -0.12 0.00 1.17 -0.55 0.00 0.00 175.29 175.78 2f17 n LYS 158 N 3.65 0.00 -0.27 1.67 4.81 -1.26 -1.23 118.16 125.53 2f17 n LYS 158 Ca -0.18 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.33 2f17 n LYS 158 Cb 0.57 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.81 2f17 n LYS 158 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2f17 n ASP 159 N 9.01 3.19 -4.37 3.14 8.00 -1.26 -4.91 116.55 129.36 2f17 n ASP 159 Ca 0.00 -2.62 -0.26 0.00 0.71 0.00 0.00 54.79 52.62 2f17 n ASP 159 Cb 0.00 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 40.60 2f17 n ASP 159 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2f17 s SER 160 N -1.69 3.07 -0.01 -2.24 0.01 -0.37 -1.12 113.70 111.35 2f17 s SER 160 Ca 0.31 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 2f17 s SER 160 Cb 0.23 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2f17 s SER 160 CO 0.09 0.10 0.02 -0.22 0.41 0.00 0.00 173.24 173.64 2f17 s LEU 161 N -2.28 1.84 0.08 2.44 0.20 -0.83 -1.83 118.68 118.31 2f17 s LEU 161 Ca 0.14 0.04 0.06 0.00 0.69 0.00 0.00 54.13 55.06 2f17 s LEU 161 Cb -0.09 0.04 -0.03 0.00 -0.43 0.00 0.00 46.19 45.69 2f17 s LEU 161 CO 0.07 -0.02 -0.17 0.27 -0.29 0.00 0.00 176.35 176.21 2f17 s ILE 162 N 0.13 1.36 -0.21 6.68 -4.36 -0.55 -1.39 121.20 122.87 2f17 s ILE 162 Ca -0.01 -1.36 -0.09 0.00 -0.26 0.00 0.00 60.65 58.93 2f17 s ILE 162 Cb -0.02 -1.27 0.08 0.00 1.25 0.00 0.00 42.46 42.51 2f17 s ILE 162 CO -0.00 -0.12 0.47 -0.47 0.24 0.00 0.00 174.94 175.06 2f17 s TYR 163 N -1.16 -0.81 -0.22 1.37 5.04 0.96 -2.16 117.35 120.38 2f17 s TYR 163 Ca 0.02 1.58 -0.27 0.00 -2.44 0.00 0.00 57.07 55.96 2f17 s TYR 163 Cb -0.10 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.59 2f17 s TYR 163 CO 0.03 -0.46 0.93 -1.17 -1.34 0.00 0.00 175.55 173.55 2f17 s LEU 164 N 2.10 4.11 -0.37 6.97 2.96 -1.26 -0.06 118.68 133.13 2f17 s LEU 164 Ca -0.06 1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 54.88 2f17 s LEU 164 Cb -0.10 -3.37 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2f17 s LEU 164 CO -0.14 -0.57 0.60 -0.76 -1.32 0.00 0.00 176.35 174.16 2f17 s LEU 165 N 2.89 4.33 0.80 -0.68 1.43 0.73 -4.93 118.68 123.24 2f17 s LEU 165 Ca 0.40 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 2f17 s LEU 165 Cb -0.15 -2.72 0.07 0.00 0.03 0.00 0.00 46.19 43.42 2f17 s LEU 165 CO 0.08 -0.59 1.09 -1.10 0.23 0.00 0.00 176.35 176.05 2f17 s GLN 166 N 2.64 2.10 0.29 1.70 -1.52 -1.26 -0.77 119.66 122.84 2f17 s GLN 166 Ca 0.22 0.78 -0.29 0.00 -1.95 0.00 0.00 55.36 54.13 2f17 s GLN 166 Cb -0.15 -1.91 -0.14 0.00 -0.22 0.00 0.00 33.01 30.60 2f17 s GLN 166 CO 0.15 -1.65 1.13 -2.30 -0.25 0.00 0.00 175.29 172.38 2f17 n PRO 167 N -3.47 1.62 0.00 2.91 -0.02 -1.26 -4.75 135.00 130.03 2f17 n PRO 167 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2f17 n PRO 167 Cb 0.55 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2f17 n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f17 n GLY 168 N 1.20 0.73 3.67 -1.23 0.00 -0.22 -4.98 105.19 104.37 2f17 n GLY 168 Ca 0.09 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 2f17 n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f17 s LYS 169 N -0.88 2.90 0.04 1.61 1.02 -1.26 -1.66 119.74 121.51 2f17 s LYS 169 Ca 0.00 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 55.56 2f17 s LYS 169 Cb 0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 2f17 s LYS 169 CO 0.00 0.68 -0.12 -1.01 -0.92 0.00 0.00 175.35 173.98 2f17 s HIS 170 N -0.91 1.05 -0.29 3.18 3.76 0.22 -2.32 115.29 119.98 2f17 s HIS 170 Ca 0.14 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.71 2f17 s HIS 170 Cb -0.11 -0.62 0.09 0.00 1.11 0.00 0.00 32.58 33.04 2f17 s HIS 170 CO 0.04 0.01 0.03 1.03 -0.85 0.00 0.00 174.74 174.99 2f17 s ARG 171 N -1.13 1.32 -0.24 1.40 0.52 0.69 -0.91 118.95 120.61 2f17 s ARG 171 Ca -0.01 -1.33 -0.09 0.00 -0.52 0.00 0.00 55.73 53.78 2f17 s ARG 171 Cb -0.08 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 2f17 s ARG 171 CO 0.01 -0.83 0.13 -0.51 0.02 0.00 0.00 175.30 174.12 2f17 s LEU 172 N 1.28 3.89 -0.36 2.53 1.43 0.21 -0.44 118.68 127.21 2f17 s LEU 172 Ca 0.04 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 2f17 s LEU 172 Cb -0.18 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2f17 s LEU 172 CO -0.12 0.04 0.56 -1.00 0.23 0.00 0.00 176.35 176.05 2f17 s HIS 173 N 1.22 3.16 -0.54 0.29 3.76 0.34 -0.87 115.29 122.66 2f17 s HIS 173 Ca 0.06 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.20 2f17 s HIS 173 Cb -0.14 -3.02 0.41 0.00 1.11 0.00 0.00 32.58 30.93 2f17 s HIS 173 CO 0.05 -0.60 1.40 1.33 -0.85 0.00 0.00 174.74 176.07 2f17 n VAL 174 N 5.51 2.76 -1.64 -0.90 0.24 -0.99 -4.21 118.33 119.10 2f17 n VAL 174 Ca -0.03 -4.60 0.06 0.00 -2.04 0.00 0.00 64.34 57.73 2f17 n VAL 174 Cb 0.49 -1.24 0.17 0.00 -1.47 0.00 0.00 33.84 31.78 2f17 n VAL 174 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2f17 n ASP 175 N -0.54 1.67 0.17 -1.34 5.75 -1.24 -4.72 116.55 116.28 2f17 n ASP 175 Ca 0.45 -3.45 0.05 0.00 -0.01 0.00 0.00 54.79 51.82 2f17 n ASP 175 Cb 0.59 -0.47 0.16 0.00 -1.03 0.00 0.00 41.12 40.37 2f17 n ASP 175 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2f17 h THR 176 N 1.83 0.79 0.00 2.12 1.35 -1.94 -3.47 112.91 113.60 2f17 h THR 176 Ca -0.03 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2f17 h THR 176 Cb 1.13 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 2f17 h THR 176 CO 0.01 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 2f17 n GLY 177 N 0.85 0.27 0.27 5.82 0.00 -1.26 -4.90 105.19 106.24 2f17 n GLY 177 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2f17 n GLY 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2f17 n MET 178 N -2.00 0.74 -2.02 1.61 2.81 -1.26 -4.92 117.12 112.08 2f17 n MET 178 Ca 0.00 -0.53 -0.38 0.00 -1.81 0.00 0.00 57.70 54.97 2f17 n MET 178 Cb 0.00 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.03 2f17 n MET 178 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2f17 s GLU 179 N -2.63 3.62 0.00 0.03 8.01 -1.26 0.50 118.70 126.98 2f17 s GLU 179 Ca 0.18 2.07 0.00 0.00 0.01 0.00 0.00 54.97 57.23 2f17 s GLU 179 Cb 0.18 -2.48 0.00 0.00 -4.31 0.00 0.00 34.13 27.52 2f17 s GLU 179 CO 0.61 -0.75 0.00 0.41 0.01 0.00 0.00 175.26 175.54 2f17 n GLY 180 N 0.61 0.63 0.11 -1.39 0.00 0.14 -3.95 105.19 101.33 2f17 n GLY 180 Ca 0.07 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2f17 n GLY 180 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2f17 h SER 181 N 0.00 0.00 -1.90 1.61 4.64 -1.92 -3.45 113.55 112.53 2f17 h SER 181 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2f17 h SER 181 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2f17 h SER 181 CO 0.00 0.60 -0.49 -1.66 -0.87 0.00 0.00 176.83 174.40 2f17 s TRP 182 N -2.91 2.84 0.25 4.77 1.48 -1.26 -4.46 118.94 119.65 2f17 s TRP 182 Ca -0.00 -0.31 -0.22 0.00 -1.06 0.00 0.00 56.10 54.51 2f17 s TRP 182 Cb 0.08 -1.68 0.04 0.00 -1.16 0.00 0.00 33.47 30.75 2f17 s TRP 182 CO 0.79 0.28 0.82 0.00 -4.06 0.00 0.00 176.95 174.78 2f17 s GLY 184 N -2.97 -0.34 -0.20 0.00 0.00 0.12 -1.69 107.32 102.24 2f17 s GLY 184 Ca 0.12 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.52 2f17 s GLY 184 CO 0.06 0.18 -0.05 1.08 0.00 0.00 0.00 173.10 174.37 2f17 s LEU 185 N -2.75 2.10 -0.25 0.66 1.43 -0.11 -1.67 118.68 118.10 2f17 s LEU 185 Ca 0.11 -0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 52.20 2f17 s LEU 185 Cb 0.00 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 2f17 s LEU 185 CO -0.03 -0.21 0.04 -0.63 0.23 0.00 0.00 176.35 175.75 2f17 s ILE 186 N 1.51 3.95 -1.21 -0.59 -1.09 -0.01 -2.46 121.20 121.30 2f17 s ILE 186 Ca -0.03 -0.40 -0.15 0.00 -2.23 0.00 0.00 60.65 57.84 2f17 s ILE 186 Cb -0.17 -2.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.78 2f17 s ILE 186 CO -0.07 0.30 2.20 -2.65 -1.23 0.00 0.00 174.94 173.49 2f17 n PRO 187 N 4.87 2.44 0.40 2.79 -0.02 -1.26 -1.75 135.00 142.47 2f17 n PRO 187 Ca -0.16 -2.21 -0.17 0.00 -2.02 0.00 0.00 63.50 58.93 2f17 n PRO 187 Cb 0.50 -3.04 -0.09 0.00 -0.02 0.00 0.00 33.50 30.86 2f17 n PRO 187 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2f17 h VAL 188 N 4.00 0.15 0.09 -1.45 2.07 -1.94 -3.33 116.25 115.84 2f17 h VAL 188 Ca 0.55 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.91 2f17 h VAL 188 Cb 0.57 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2f17 h VAL 188 CO 1.87 0.01 -0.04 1.23 0.02 0.00 0.00 177.57 180.65 2f17 h GLY 189 N -1.16 -0.12 -2.78 2.17 0.00 -1.88 -3.47 103.07 95.83 2f17 h GLY 189 Ca -0.10 0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 2f17 h GLY 189 CO 0.17 -0.05 -0.36 -0.86 0.00 0.00 0.00 176.54 175.45 2f17 s GLN 190 N -4.52 1.11 0.27 4.80 -2.07 -1.25 -5.14 119.66 112.87 2f17 s GLN 190 Ca -0.15 -1.19 -0.30 0.00 -1.82 0.00 0.00 55.36 51.90 2f17 s GLN 190 Cb 0.02 0.36 -0.10 0.00 -1.09 0.00 0.00 33.01 32.20 2f17 s GLN 190 CO 0.63 -0.40 1.46 -2.14 -1.32 0.00 0.00 175.29 173.52 2f17 s PRO 191 N -3.97 4.23 -0.52 9.60 0.02 -1.26 -4.80 135.00 138.30 2f17 s PRO 191 Ca 0.17 2.37 -0.17 0.00 0.02 0.00 0.00 61.00 63.39 2f17 s PRO 191 Cb 0.04 -3.08 0.10 0.00 0.02 0.00 0.00 34.50 31.58 2f17 s PRO 191 CO -0.00 -0.45 0.52 0.00 -0.33 0.00 0.00 177.00 176.74 2f17 n ASN 193 N 5.56 0.63 -3.40 0.00 3.02 -1.26 -0.63 115.26 119.19 2f17 n ASN 193 Ca -0.12 0.63 -0.23 0.00 -0.03 0.00 0.00 54.58 54.83 2f17 n ASN 193 Cb 0.42 -0.77 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 2f17 n ASN 193 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2f17 s GLN 194 N -3.23 0.63 -0.10 3.52 0.74 -1.20 -4.16 119.66 115.86 2f17 s GLN 194 Ca 0.06 -1.22 0.01 0.00 0.05 0.00 0.00 55.36 54.26 2f17 s GLN 194 Cb 0.10 -1.05 -0.02 0.00 1.10 0.00 0.00 33.01 33.15 2f17 s GLN 194 CO 0.43 -1.23 -0.14 0.08 -0.55 0.00 0.00 175.29 173.88 2f17 s VAL 195 N 1.09 3.00 -0.04 1.34 1.01 0.11 -3.47 120.40 123.45 2f17 s VAL 195 Ca 0.20 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2f17 s VAL 195 Cb -0.17 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.00 2f17 s VAL 195 CO -0.03 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 174.66 2f17 s THR 196 N 0.02 0.67 0.21 3.92 2.01 -0.70 -1.21 115.64 120.55 2f17 s THR 196 Ca -0.04 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2f17 s THR 196 Cb -0.14 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 2f17 s THR 196 CO 0.04 0.24 0.09 0.42 -0.69 0.00 0.00 174.62 174.71 2f17 s THR 197 N 0.56 0.37 0.04 -0.82 -4.23 -0.03 -1.18 115.64 110.36 2f17 s THR 197 Ca -0.08 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.38 2f17 s THR 197 Cb -0.12 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 2f17 s THR 197 CO 0.01 -0.13 0.12 0.42 -0.54 0.00 0.00 174.62 174.49 2f17 s THR 198 N -3.89 0.13 0.00 3.99 -4.23 -0.89 -4.41 115.64 106.34 2f17 s THR 198 Ca 0.34 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2f17 s THR 198 Cb 0.07 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.99 2f17 s THR 198 CO 0.10 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2f17 n GLY 199 N 0.71 0.82 3.80 3.99 0.00 -1.26 -2.32 105.19 110.95 2f17 n GLY 199 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2f17 n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f17 s LEU 200 N 0.00 3.64 0.16 0.99 1.43 -1.26 -1.09 118.68 122.54 2f17 s LEU 200 Ca 0.00 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2f17 s LEU 200 Cb 0.00 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.04 2f17 s LEU 200 CO 0.00 -0.13 1.41 0.50 0.23 0.00 0.00 176.35 178.36 2f17 h LYS 201 N 1.48 0.56 -3.38 1.70 3.64 -1.07 -3.36 116.57 116.14 2f17 h LYS 201 Ca -0.47 -0.43 -0.66 0.00 -1.27 0.00 0.00 60.65 57.83 2f17 h LYS 201 Cb 1.24 0.08 -0.39 0.00 -0.41 0.00 0.00 32.23 32.75 2f17 h LYS 201 CO 0.60 1.05 -0.51 -1.58 -2.27 0.00 0.00 179.45 176.75 2f17 s TRP 202 N -3.76 3.35 0.59 1.91 0.51 -1.26 -5.04 118.94 115.24 2f17 s TRP 202 Ca -0.07 -3.07 -0.11 0.00 -2.12 0.00 0.00 56.10 50.72 2f17 s TRP 202 Cb 0.10 -2.94 -0.05 0.00 -0.81 0.00 0.00 33.47 29.78 2f17 s TRP 202 CO 0.86 -0.74 1.00 -0.80 -0.51 0.00 0.00 176.95 176.76 2f17 s ASN 203 N -0.21 6.30 -0.02 2.95 0.01 -1.26 -5.02 114.94 117.69 2f17 s ASN 203 Ca 0.19 1.40 0.03 0.00 -0.71 0.00 0.00 52.86 53.76 2f17 s ASN 203 Cb -0.20 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 2f17 s ASN 203 CO -0.04 -0.80 -0.07 -0.76 -1.51 0.00 0.00 177.10 173.92 2f17 s LEU 204 N -4.96 3.17 -0.39 0.60 2.01 -1.26 -4.95 118.68 112.90 2f17 s LEU 204 Ca 0.55 -0.11 0.01 0.00 0.01 0.00 0.00 54.13 54.59 2f17 s LEU 204 Cb -0.11 -1.78 0.12 0.00 0.01 0.00 0.00 46.19 44.43 2f17 s LEU 204 CO 0.50 0.30 0.19 0.42 1.01 0.00 0.00 176.35 178.77 2f17 s THR 205 N -0.95 1.20 -1.53 5.49 -4.23 -1.22 -0.85 115.64 113.56 2f17 s THR 205 Ca 0.16 -2.16 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 2f17 s THR 205 Cb -0.11 -1.86 0.09 0.00 1.34 0.00 0.00 72.50 71.96 2f17 s THR 205 CO 0.06 -0.83 0.93 0.59 -0.54 0.00 0.00 174.62 174.83 2f17 n ASN 206 N 3.98 -4.73 -4.98 3.99 3.02 -0.35 -4.95 115.26 111.23 2f17 n ASN 206 Ca 0.06 -0.74 -0.20 0.00 -0.03 0.00 0.00 54.58 53.66 2f17 n ASN 206 Cb 0.37 -3.79 0.03 0.00 -0.61 0.00 0.00 39.78 35.78 2f17 n ASN 206 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2f17 s ASP 207 N -3.23 5.37 -0.21 6.41 1.01 -0.58 -4.63 116.67 120.81 2f17 s ASP 207 Ca 0.64 -0.17 -0.08 0.00 0.71 0.00 0.00 52.55 53.65 2f17 s ASP 207 Cb -0.32 -0.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.81 2f17 s ASP 207 CO 0.79 -1.04 0.09 -0.69 0.21 0.00 0.00 175.17 174.53 2f17 s VAL 208 N -2.64 4.85 -0.21 -1.27 1.01 -1.26 -0.71 120.40 120.18 2f17 s VAL 208 Ca 0.57 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 2f17 s VAL 208 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2f17 s VAL 208 CO 0.37 0.40 -0.09 -0.76 0.00 0.00 0.00 175.10 175.02 2f17 s LEU 209 N 0.82 2.65 -0.25 3.92 1.43 0.20 -4.52 118.68 122.93 2f17 s LEU 209 Ca 0.05 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.42 2f17 s LEU 209 Cb -0.13 -1.65 0.11 0.00 0.03 0.00 0.00 46.19 44.54 2f17 s LEU 209 CO 0.02 -0.01 0.93 -0.83 0.23 0.00 0.00 176.35 176.70 2f17 s GLY 210 N 1.39 -0.28 0.16 -3.19 0.00 0.05 -0.42 107.32 105.03 2f17 s GLY 210 Ca 0.05 2.35 -0.34 0.00 0.00 0.00 0.00 44.72 46.78 2f17 s GLY 210 CO -0.06 1.65 1.56 0.69 0.00 0.00 0.00 173.10 176.93 2f17 n PHE 211 N 2.03 2.23 0.00 1.90 3.01 -1.26 -0.02 117.46 125.34 2f17 n PHE 211 Ca -0.13 0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.63 2f17 n PHE 211 Cb 0.56 -2.53 0.00 0.00 -0.01 0.00 0.00 39.48 37.50 2f17 n PHE 211 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2f17 n GLY 212 N 3.31 2.74 0.47 1.37 0.00 -1.26 -4.79 105.19 107.03 2f17 n GLY 212 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 2f17 n GLY 212 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2f17 n THR 213 N -2.00 1.01 -3.44 2.61 -1.04 0.97 -5.07 114.28 107.31 2f17 n THR 213 Ca 0.00 0.26 0.01 0.00 -2.04 0.00 0.00 64.05 62.28 2f17 n THR 213 Cb 0.00 -1.83 -0.04 0.00 -1.82 0.00 0.00 70.33 66.65 2f17 n THR 213 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2f17 s LEU 214 N -6.83 -0.78 -0.08 -4.42 2.96 0.66 -4.91 118.68 105.29 2f17 s LEU 214 Ca -0.12 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2f17 s LEU 214 Cb 0.02 1.85 0.01 0.00 0.50 0.00 0.00 46.19 48.57 2f17 s LEU 214 CO 0.18 -0.15 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.21 2f17 s VAL 215 N 2.63 1.46 -0.57 1.68 1.01 -1.26 -0.77 120.40 124.58 2f17 s VAL 215 Ca -0.02 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 2f17 s VAL 215 Cb -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.05 2f17 s VAL 215 CO -0.18 0.43 0.88 -0.55 0.00 0.00 0.00 175.10 175.68 2f17 s SER 216 N 0.54 6.28 0.08 3.32 0.15 -1.03 -5.01 113.70 118.02 2f17 s SER 216 Ca -0.16 -0.63 0.05 0.00 0.70 0.00 0.00 55.95 55.91 2f17 s SER 216 Cb -0.16 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 2f17 s SER 216 CO 0.05 -1.21 -0.13 0.42 1.20 0.00 0.00 173.24 173.57 2f17 s THR 217 N 3.70 1.07 -1.30 6.45 -4.23 -1.26 -0.93 115.64 119.14 2f17 s THR 217 Ca 0.25 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2f17 s THR 217 Cb -0.15 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2f17 s THR 217 CO 0.15 -0.29 0.14 -1.20 -0.54 0.00 0.00 174.62 172.89 2f17 n SER 218 N 1.14 -4.82 -4.90 3.99 7.64 -1.23 -5.00 113.62 110.43 2f17 n SER 218 Ca -0.20 -0.08 -0.25 0.00 1.01 0.00 0.00 58.87 59.35 2f17 n SER 218 Cb 0.55 -3.86 0.07 0.00 -1.01 0.00 0.00 64.21 59.95 2f17 n SER 218 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2f17 s ASN 219 N -2.44 4.85 0.34 6.43 3.04 -0.68 -4.88 114.94 121.60 2f17 s ASN 219 Ca 0.07 0.30 -0.02 0.00 0.04 0.00 0.00 52.86 53.25 2f17 s ASN 219 Cb -0.03 -0.97 0.00 0.00 -1.54 0.00 0.00 41.25 38.71 2f17 s ASN 219 CO 0.09 -1.54 0.46 0.28 -3.04 0.00 0.00 177.10 173.35 2f17 s THR 220 N -3.15 0.00 0.30 -5.21 -1.32 -1.26 -1.73 115.64 103.27 2f17 s THR 220 Ca 0.60 -1.62 -0.06 0.00 -1.21 0.00 0.00 61.69 59.41 2f17 s THR 220 Cb -0.10 -2.62 -0.05 0.00 -1.51 0.00 0.00 72.50 68.22 2f17 s THR 220 CO 0.43 0.00 0.58 -0.31 -2.21 0.00 0.00 174.62 173.11 2f17 s TYR 221 N -3.12 3.47 -1.70 9.09 1.51 -1.26 -0.56 117.35 124.79 2f17 s TYR 221 Ca 0.31 0.69 0.28 0.00 -1.01 0.00 0.00 57.07 57.34 2f17 s TYR 221 Cb -0.00 -2.15 1.08 0.00 -0.11 0.00 0.00 41.96 40.78 2f17 s TYR 221 CO 0.20 0.14 1.77 -0.40 -1.11 0.00 0.00 175.55 176.15 2f17 n ASP 222 N -0.95 0.66 0.00 2.29 5.75 -0.25 -4.56 116.55 119.50 2f17 n ASP 222 Ca -0.01 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 2f17 n ASP 222 Cb 0.54 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2f17 n ASP 222 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f17 n GLY 223 N 1.30 0.69 0.25 6.12 0.00 -1.26 -4.94 105.19 107.35 2f17 n GLY 223 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2f17 n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2f17 h SER 224 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.46 113.55 114.43 2f17 h SER 224 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2f17 h SER 224 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2f17 h SER 224 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 2f17 n GLY 225 N -0.21 0.70 2.90 -0.77 0.00 -1.26 -5.03 105.19 101.52 2f17 n GLY 225 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2f17 n GLY 225 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f17 s LEU 226 N 0.00 1.85 -0.08 0.99 2.96 -1.26 -2.35 118.68 120.79 2f17 s LEU 226 Ca 0.00 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2f17 s LEU 226 Cb 0.00 0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.81 2f17 s LEU 226 CO 0.00 -0.01 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.24 2f17 s VAL 227 N 0.06 0.97 -0.01 1.68 1.01 -0.05 -3.98 120.40 120.08 2f17 s VAL 227 Ca -0.00 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.70 2f17 s VAL 227 Cb -0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2f17 s VAL 227 CO -0.00 0.33 -0.17 0.42 0.00 0.00 0.00 175.10 175.68 2f17 s THR 228 N 1.08 2.80 -0.01 3.92 -4.23 -0.98 0.63 115.64 118.85 2f17 s THR 228 Ca -0.07 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2f17 s THR 228 Cb -0.14 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2f17 s THR 228 CO -0.01 0.48 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.85 2f17 s VAL 229 N -0.80 0.15 -0.13 2.29 1.01 -0.08 -2.09 120.40 120.75 2f17 s VAL 229 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2f17 s VAL 229 Cb -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.12 2f17 s VAL 229 CO 0.02 0.08 -0.11 -0.70 0.00 0.00 0.00 175.10 174.39 2f17 s GLU 230 N 0.35 1.93 0.03 2.72 2.12 -0.33 0.71 118.70 126.24 2f17 s GLU 230 Ca -0.03 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.90 2f17 s GLU 230 Cb -0.06 -1.84 -0.02 0.00 0.26 0.00 0.00 34.13 32.48 2f17 s GLU 230 CO -0.01 -0.23 -0.07 -0.08 -0.54 0.00 0.00 175.26 174.33 2f17 s THR 231 N 1.53 0.45 -0.30 -1.70 -1.32 -0.66 -1.73 115.64 111.91 2f17 s THR 231 Ca 0.04 -0.93 0.22 0.00 -1.21 0.00 0.00 61.69 59.80 2f17 s THR 231 Cb -0.13 -0.51 0.13 0.00 -1.51 0.00 0.00 72.50 70.47 2f17 s THR 231 CO -0.09 -0.33 1.28 -2.24 -2.21 0.00 0.00 174.62 171.03 2f17 h ASP 232 N 4.73 0.00 -4.81 8.08 2.03 -1.88 -0.55 116.42 124.03 2f17 h ASP 232 Ca -0.34 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.68 2f17 h ASP 232 Cb 1.20 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.56 2f17 h ASP 232 CO 0.42 0.07 -0.64 -1.00 -1.03 0.00 0.00 179.24 177.06 2f17 s HIS 233 N -3.25 1.22 0.01 4.15 3.76 -1.26 -4.74 115.29 115.19 2f17 s HIS 233 Ca 0.03 -1.14 -0.35 0.00 -0.15 0.00 0.00 55.06 53.44 2f17 s HIS 233 Cb 0.08 -0.69 -0.14 0.00 1.11 0.00 0.00 32.58 32.94 2f17 s HIS 233 CO 0.74 -0.35 1.66 -2.30 -0.85 0.00 0.00 174.74 173.64 2f17 n PRO 234 N -0.27 1.87 -4.38 8.40 -0.02 -1.26 -4.40 135.00 134.94 2f17 n PRO 234 Ca -0.04 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 61.85 2f17 n PRO 234 Cb 0.64 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.52 2f17 n PRO 234 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2f17 s LEU 235 N 2.18 1.60 -0.21 2.45 2.96 0.05 -4.55 118.68 123.17 2f17 s LEU 235 Ca 0.87 -0.37 -0.28 0.00 -0.22 0.00 0.00 54.13 54.12 2f17 s LEU 235 Cb -0.78 -0.98 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2f17 s LEU 235 CO 0.47 -0.01 0.99 -0.22 -1.32 0.00 0.00 176.35 176.26 2f17 s LEU 236 N 1.04 4.12 -0.17 -0.68 2.96 -0.72 -0.19 118.68 125.04 2f17 s LEU 236 Ca -0.06 1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 55.04 2f17 s LEU 236 Cb -0.15 -3.46 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2f17 s LEU 236 CO -0.02 -0.59 0.28 0.86 -1.32 0.00 0.00 176.35 175.56 2f17 s TRP 237 N 2.89 3.44 0.01 5.38 -0.11 0.91 -0.83 118.94 130.62 2f17 s TRP 237 Ca 0.43 0.55 0.05 0.00 1.22 0.00 0.00 56.10 58.34 2f17 s TRP 237 Cb -0.16 -2.34 -0.02 0.00 -1.50 0.00 0.00 33.47 29.46 2f17 s TRP 237 CO 0.08 0.20 -0.15 -0.08 -4.62 0.00 0.00 176.95 172.39 2f17 s THR 238 N 0.59 1.15 0.05 5.86 -1.32 -0.67 -0.03 115.64 121.29 2f17 s THR 238 Ca 0.15 -0.79 -0.12 0.00 -1.21 0.00 0.00 61.69 59.72 2f17 s THR 238 Cb -0.13 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 2f17 s THR 238 CO 0.04 0.19 0.26 0.00 -2.21 0.00 0.00 174.62 172.91 2f17 s MET 239 N -0.69 0.79 0.32 7.08 0.23 -0.49 0.14 119.30 126.68 2f17 s MET 239 Ca 0.04 -0.60 -0.19 0.00 -1.03 0.00 0.00 55.69 53.91 2f17 s MET 239 Cb -0.07 0.34 -0.09 0.00 -1.53 0.00 0.00 34.83 33.48 2f17 s MET 239 CO 0.00 -0.25 0.82 0.00 -2.03 0.00 0.00 175.02 173.56 2f17 s ALA 240 N -2.76 3.26 -0.15 3.16 0.00 0.10 -1.96 121.76 123.42 2f17 s ALA 240 Ca -0.04 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 2f17 s ALA 240 Cb -0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2f17 s ALA 240 CO -0.05 0.26 -0.05 0.42 0.00 0.00 0.00 175.76 176.35 2f17 s ILE 241 N -1.85 3.82 0.40 0.00 1.01 -0.28 0.26 121.20 124.56 2f17 s ILE 241 Ca 0.52 -0.39 -0.25 0.00 0.00 0.00 0.00 60.65 60.54 2f17 s ILE 241 Cb -0.13 -2.66 -0.11 0.00 0.01 0.00 0.00 42.46 39.56 2f17 s ILE 241 CO 0.18 0.50 0.96 1.17 0.00 0.00 0.00 174.94 177.75 2f17 n LYS 242 N 3.48 1.26 -0.85 2.79 4.81 0.18 -4.55 118.16 125.27 2f17 n LYS 242 Ca -0.17 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2f17 n LYS 242 Cb 0.52 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2f17 n LYS 242 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00