#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fy5 s VAL 17 N 0.00 4.63 -0.39 1.39 1.01 0.27 -3.90 120.40 123.41 1fy5 s VAL 17 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1fy5 s VAL 17 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1fy5 s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1fy5 n GLY 18 N 3.43 0.65 0.30 4.51 0.00 -1.24 -1.79 105.19 111.06 1fy5 n GLY 18 Ca -0.17 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 1fy5 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fy5 n GLY 19 N -2.52 1.41 3.19 -0.02 0.00 -1.26 -4.88 105.19 101.11 1fy5 n GLY 19 Ca -0.04 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 1fy5 n GLY 19 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fy5 s THR 20 N 0.39 0.61 0.20 2.61 -1.32 -0.13 -4.94 115.64 113.07 1fy5 s THR 20 Ca 0.05 -1.94 -0.31 0.00 -1.21 0.00 0.00 61.69 58.28 1fy5 s THR 20 Cb -0.00 -1.84 -0.10 0.00 -1.51 0.00 0.00 72.50 69.04 1fy5 s THR 20 CO 0.03 -0.72 1.54 -0.44 -2.21 0.00 0.00 174.62 172.82 1fy5 s SER 21 N -3.08 6.58 0.54 8.08 0.01 -1.26 -1.06 113.70 123.51 1fy5 s SER 21 Ca 0.16 2.68 -0.20 0.00 1.31 0.00 0.00 55.95 59.90 1fy5 s SER 21 Cb 0.06 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1fy5 s SER 21 CO -0.02 -0.80 1.12 0.00 0.41 0.00 0.00 173.24 173.95 1fy5 s ALA 22 N 0.68 2.72 0.23 1.44 0.00 -0.48 -4.82 121.76 121.54 1fy5 s ALA 22 Ca 0.66 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 1fy5 s ALA 22 Cb -0.44 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1fy5 s ALA 22 CO 0.37 -0.71 0.44 -1.12 0.00 0.00 0.00 175.76 174.74 1fy5 s SER 23 N -1.80 6.40 0.02 0.00 0.01 -1.26 -4.91 113.70 112.16 1fy5 s SER 23 Ca 0.72 0.49 -0.35 0.00 1.31 0.00 0.00 55.95 58.12 1fy5 s SER 23 Cb -0.23 -2.05 -0.13 0.00 0.21 0.00 0.00 66.02 63.82 1fy5 s SER 23 CO 0.26 -0.10 1.70 0.00 0.41 0.00 0.00 173.24 175.51 1fy5 n ALA 24 N -0.79 0.87 -0.63 1.44 0.00 -1.26 -2.07 120.51 118.06 1fy5 n ALA 24 Ca -0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1fy5 n ALA 24 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1fy5 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fy5 n GLY 25 N 3.81 0.74 0.31 0.00 0.00 -1.26 -4.99 105.19 103.80 1fy5 n GLY 25 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1fy5 n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fy5 h ASP 26 N 0.00 0.92 -1.78 1.61 3.32 -1.81 -3.36 116.42 115.32 1fy5 h ASP 26 Ca 0.00 -0.18 -0.50 0.00 0.02 0.00 0.00 57.03 56.37 1fy5 h ASP 26 Cb 0.00 -0.24 -0.37 0.00 0.22 0.00 0.00 39.33 38.94 1fy5 h ASP 26 CO 0.00 0.89 -1.07 0.49 -1.72 0.00 0.00 179.24 177.83 1fy5 n PHE 27 N -4.25 -0.50 0.31 4.55 3.72 -1.26 -4.99 117.46 115.04 1fy5 n PHE 27 Ca 0.05 -3.46 0.21 0.00 -0.05 0.00 0.00 57.45 54.19 1fy5 n PHE 27 Cb 0.24 -0.16 1.10 0.00 -0.94 0.00 0.00 39.48 39.72 1fy5 n PHE 27 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1fy5 h PRO 28 N 3.64 0.00 -0.01 -1.08 0.13 -1.81 0.21 132.00 133.08 1fy5 h PRO 28 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1fy5 h PRO 28 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1fy5 h PRO 28 CO 0.45 0.00 -0.21 1.97 -0.23 0.00 0.00 178.00 179.98 1fy5 n PHE 29 N -2.93 0.00 -2.48 1.56 1.16 -1.22 -1.50 117.46 112.05 1fy5 n PHE 29 Ca -0.03 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.18 1fy5 n PHE 29 Cb 0.07 -0.13 -0.04 0.00 -1.61 0.00 0.00 39.48 37.77 1fy5 n PHE 29 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1fy5 s ILE 30 N -2.47 3.56 0.07 1.97 2.07 0.73 -0.10 121.20 127.03 1fy5 s ILE 30 Ca 0.26 1.28 0.07 0.00 -1.41 0.00 0.00 60.65 60.85 1fy5 s ILE 30 Cb 0.19 -3.70 -0.03 0.00 0.13 0.00 0.00 42.46 39.06 1fy5 s ILE 30 CO 0.50 0.08 -0.20 0.68 -1.91 0.00 0.00 174.94 174.10 1fy5 s VAL 31 N -1.52 1.62 0.07 4.00 -7.23 -0.35 -4.28 120.40 112.70 1fy5 s VAL 31 Ca 0.56 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 1fy5 s VAL 31 Cb -0.25 -1.45 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 1fy5 s VAL 31 CO 0.32 0.04 0.39 -0.94 -0.31 0.00 0.00 175.10 174.60 1fy5 s SER 32 N -1.55 6.64 -0.19 4.85 1.04 -0.47 -1.26 113.70 122.76 1fy5 s SER 32 Ca 0.06 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1fy5 s SER 32 Cb -0.09 -2.17 0.04 0.00 0.10 0.00 0.00 66.02 63.89 1fy5 s SER 32 CO 0.03 0.18 -0.09 -0.63 0.98 0.00 0.00 173.24 173.71 1fy5 s ILE 33 N -1.38 1.48 0.30 -1.02 1.01 -0.09 -0.96 121.20 120.54 1fy5 s ILE 33 Ca 0.32 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1fy5 s ILE 33 Cb -0.14 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1fy5 s ILE 33 CO 0.18 0.17 0.50 -0.94 0.00 0.00 0.00 174.94 174.84 1fy5 s SER 34 N 1.47 6.33 -0.05 3.58 1.04 -0.13 -1.16 113.70 124.78 1fy5 s SER 34 Ca -0.00 0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 1fy5 s SER 34 Cb -0.16 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 63.97 1fy5 s SER 34 CO -0.08 -0.21 -0.01 -0.60 0.98 0.00 0.00 173.24 173.31 1fy5 s ARG 35 N -4.03 0.58 -1.42 4.02 3.52 -0.07 -1.83 118.95 119.72 1fy5 s ARG 35 Ca 0.39 0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1fy5 s ARG 35 Cb -0.10 -0.77 0.01 0.00 -1.56 0.00 0.00 34.95 32.53 1fy5 s ARG 35 CO 0.33 -0.18 0.12 0.09 -0.81 0.00 0.00 175.30 174.86 1fy5 n ASN 37 N 4.47 -4.94 0.00 -2.12 3.02 0.18 -1.73 115.26 114.14 1fy5 n ASN 37 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1fy5 n ASN 37 Cb 0.50 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 1fy5 n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fy5 n GLY 38 N -1.01 1.14 3.64 7.41 0.00 -1.26 -5.02 105.19 110.08 1fy5 n GLY 38 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1fy5 n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fy5 s GLY 39 N -1.92 1.99 0.57 -0.02 0.00 -0.70 -5.06 107.32 102.17 1fy5 s GLY 39 Ca 0.00 -1.90 -0.20 0.00 0.00 0.00 0.00 44.72 42.62 1fy5 s GLY 39 CO 0.00 -1.86 1.28 2.56 0.00 0.00 0.00 173.10 175.08 1fy5 s PRO 40 N -3.72 3.04 0.33 2.90 0.04 -1.26 -0.89 135.00 135.43 1fy5 s PRO 40 Ca 0.34 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1fy5 s PRO 40 Cb -0.01 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1fy5 s PRO 40 CO 0.20 -1.21 0.00 1.87 0.04 0.00 0.00 177.00 177.90 1fy5 n TRP 41 N -1.31 -3.05 -3.33 0.56 -0.00 -1.04 -4.62 117.44 104.64 1fy5 n TRP 41 Ca 0.12 0.73 -0.03 0.00 -0.00 0.00 0.00 57.50 58.32 1fy5 n TRP 41 Cb 0.47 1.44 0.01 0.00 -0.00 0.00 0.00 31.31 33.23 1fy5 n TRP 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1fy5 s GLY 43 N -1.72 2.91 0.19 0.00 0.00 -0.00 -0.91 107.32 107.78 1fy5 s GLY 43 Ca 0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 44.72 43.82 1fy5 s GLY 43 CO 0.05 -2.17 0.77 0.61 0.00 0.00 0.00 173.10 172.35 1fy5 n GLY 44 N -1.21 0.86 2.96 0.20 0.00 -0.39 -3.22 105.19 104.40 1fy5 n GLY 44 Ca -0.16 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1fy5 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fy5 s SER 45 N -2.87 1.61 -0.29 1.61 0.01 -0.03 -1.21 113.70 112.52 1fy5 s SER 45 Ca 0.17 -0.25 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 1fy5 s SER 45 Cb -0.03 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.50 1fy5 s SER 45 CO 0.06 -0.02 1.08 -0.22 0.41 0.00 0.00 173.24 174.55 1fy5 s LEU 46 N 0.94 3.99 -0.06 2.44 2.96 0.85 -0.59 118.68 129.19 1fy5 s LEU 46 Ca -0.10 1.17 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 1fy5 s LEU 46 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 1fy5 s LEU 46 CO 0.01 -0.82 0.58 0.18 -1.32 0.00 0.00 176.35 174.97 1fy5 n LEU 47 N 6.74 1.42 0.00 -0.68 4.77 0.07 -1.25 117.00 128.07 1fy5 n LEU 47 Ca 0.12 0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 56.42 1fy5 n LEU 47 Cb 0.47 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1fy5 n LEU 47 CO 0.57 0.53 0.60 -0.46 -1.33 0.00 0.00 177.39 177.30 1fy5 n ASN 48 N -3.18 -1.61 0.28 -1.43 0.23 -1.22 -4.44 115.26 103.89 1fy5 n ASN 48 Ca -0.21 -1.95 0.13 0.00 -0.53 0.00 0.00 54.58 52.02 1fy5 n ASN 48 Cb 1.05 2.64 0.81 0.00 -2.08 0.00 0.00 39.78 42.21 1fy5 n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1fy5 h ALA 49 N 2.00 1.50 0.00 -2.53 0.00 -1.96 -2.85 119.26 115.42 1fy5 h ALA 49 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1fy5 h ALA 49 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1fy5 h ALA 49 CO 0.32 0.06 -0.05 0.27 0.00 0.00 0.00 179.25 179.85 1fy5 n ASN 50 N -3.87 2.07 -3.78 0.00 6.94 -1.26 -0.39 115.26 114.96 1fy5 n ASN 50 Ca -0.03 -2.88 -0.14 0.00 -0.02 0.00 0.00 54.58 51.51 1fy5 n ASN 50 Cb 0.14 -0.37 -0.15 0.00 -2.36 0.00 0.00 39.78 37.03 1fy5 n ASN 50 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1fy5 s THR 51 N -2.43 -0.05 -0.02 5.53 2.01 -1.08 -0.91 115.64 118.70 1fy5 s THR 51 Ca 0.26 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.51 1fy5 s THR 51 Cb 0.23 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.61 1fy5 s THR 51 CO 0.02 0.07 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.09 1fy5 s VAL 52 N 0.92 1.97 -0.21 3.82 1.01 -0.16 -0.75 120.40 127.01 1fy5 s VAL 52 Ca -0.08 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.73 1fy5 s VAL 52 Cb -0.11 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1fy5 s VAL 52 CO -0.03 0.56 0.15 -0.22 0.00 0.00 0.00 175.10 175.56 1fy5 s LEU 53 N -0.57 4.19 0.00 3.92 2.96 0.24 -0.47 118.68 128.94 1fy5 s LEU 53 Ca 0.09 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1fy5 s LEU 53 Cb -0.10 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1fy5 s LEU 53 CO -0.01 0.14 0.20 1.07 -1.32 0.00 0.00 176.35 176.43 1fy5 n THR 54 N 3.74 0.00 -2.67 3.68 5.66 -0.53 -0.85 114.28 123.31 1fy5 n THR 54 Ca -0.15 -1.63 -0.39 0.00 -3.05 0.00 0.00 64.05 58.83 1fy5 n THR 54 Cb 0.52 0.82 -0.05 0.00 -1.55 0.00 0.00 70.33 70.07 1fy5 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fy5 s ALA 55 N -2.88 3.31 0.29 1.79 0.00 -1.26 -0.90 121.76 122.11 1fy5 s ALA 55 Ca 0.27 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 1fy5 s ALA 55 Cb 0.01 -3.24 0.44 0.00 0.00 0.00 0.00 23.12 20.33 1fy5 s ALA 55 CO 0.19 0.07 1.94 0.00 0.00 0.00 0.00 175.76 177.96 1fy5 h ALA 56 N 3.73 1.42 0.00 0.00 0.00 -1.66 -2.01 119.26 120.75 1fy5 h ALA 56 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1fy5 h ALA 56 Cb 1.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1fy5 h ALA 56 CO 0.67 0.49 0.00 1.12 0.00 0.00 0.00 179.25 181.53 1fy5 h HIS 57 N 1.14 0.00 0.00 0.00 2.07 -1.93 0.12 115.15 116.55 1fy5 h HIS 57 Ca 0.35 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.80 1fy5 h HIS 57 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1fy5 h HIS 57 CO -0.00 0.00 -0.36 0.00 -3.07 0.00 0.00 177.93 174.50 1fy5 n VAL 59 N -3.62 0.00 -2.05 0.00 0.24 -0.70 -4.97 118.33 107.23 1fy5 n VAL 59 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1fy5 n VAL 59 Cb 0.47 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.01 1fy5 n VAL 59 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1fy5 s SER 59 N -1.59 6.70 0.00 -1.34 0.15 0.34 -2.55 113.70 115.41 1fy5 s SER 59 Ca 0.00 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.16 1fy5 s SER 59 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1fy5 s SER 59 CO 0.00 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1fy5 n GLY 59 N 3.32 0.82 3.59 9.45 0.00 -1.26 -4.95 105.19 116.16 1fy5 n GLY 59 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1fy5 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fy5 s TYR 59 N -3.24 2.72 0.13 1.61 2.02 -1.06 -5.08 117.35 114.44 1fy5 s TYR 59 Ca 0.00 -0.18 -0.31 0.00 -0.37 0.00 0.00 57.07 56.21 1fy5 s TYR 59 Cb 0.00 -1.36 -0.10 0.00 -0.40 0.00 0.00 41.96 40.10 1fy5 s TYR 59 CO 0.00 0.48 1.76 0.00 -1.57 0.00 0.00 175.55 176.23 1fy5 s ALA 59 N -1.54 3.77 0.38 3.71 0.00 -1.26 -4.87 121.76 121.94 1fy5 s ALA 59 Ca 0.24 1.41 0.20 0.00 0.00 0.00 0.00 51.96 53.81 1fy5 s ALA 59 Cb -0.10 -3.73 1.07 0.00 0.00 0.00 0.00 23.12 20.36 1fy5 s ALA 59 CO 0.15 -1.13 1.95 -0.56 0.00 0.00 0.00 175.76 176.17 1fy5 h GLN 60 N 8.20 0.00 0.00 0.00 3.07 -1.98 -2.39 115.11 122.01 1fy5 h GLN 60 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1fy5 h GLN 60 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1fy5 h GLN 60 CO 0.94 0.23 0.00 1.03 0.09 0.00 0.00 178.83 181.12 1fy5 h SER 61 N 0.00 0.00 0.94 0.06 0.87 -1.91 -2.53 113.55 110.98 1fy5 h SER 61 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fy5 h SER 61 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1fy5 h SER 61 CO 0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 1fy5 n GLY 62 N -0.61 -1.39 3.89 5.77 0.00 -0.90 -4.86 105.19 107.09 1fy5 n GLY 62 Ca -0.01 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1fy5 n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fy5 s PHE 63 N -3.23 3.56 -0.01 1.61 0.08 -0.95 -0.65 117.98 118.39 1fy5 s PHE 63 Ca 0.06 0.52 0.01 0.00 0.12 0.00 0.00 56.93 57.64 1fy5 s PHE 63 Cb 0.10 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1fy5 s PHE 63 CO 0.45 0.59 -0.02 -1.14 -0.10 0.00 0.00 175.22 175.00 1fy5 s GLN 64 N -1.95 0.23 -0.01 0.44 0.74 -0.76 -4.23 119.66 114.12 1fy5 s GLN 64 Ca 0.30 -0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.64 1fy5 s GLN 64 Cb -0.13 -0.27 -0.04 0.00 1.10 0.00 0.00 33.01 33.68 1fy5 s GLN 64 CO 0.18 0.01 0.12 0.96 -0.55 0.00 0.00 175.29 176.01 1fy5 s ILE 65 N 0.18 4.99 -0.06 -2.34 -5.25 0.05 -0.95 121.20 117.82 1fy5 s ILE 65 Ca -0.01 -0.29 0.01 0.00 -0.99 0.00 0.00 60.65 59.36 1fy5 s ILE 65 Cb -0.04 -3.29 0.02 0.00 2.95 0.00 0.00 42.46 42.10 1fy5 s ILE 65 CO -0.00 0.36 -0.08 -0.60 -1.79 0.00 0.00 174.94 172.83 1fy5 s ARG 65 N -1.75 1.23 0.20 0.37 3.52 -0.14 -1.32 118.95 121.06 1fy5 s ARG 65 Ca 0.24 -0.23 0.11 0.00 -0.13 0.00 0.00 55.73 55.72 1fy5 s ARG 65 Cb -0.12 -1.13 -0.04 0.00 -1.56 0.00 0.00 34.95 32.09 1fy5 s ARG 65 CO 0.15 -0.06 -0.23 0.00 -0.81 0.00 0.00 175.30 174.35 1fy5 s ALA 66 N 0.92 2.49 -0.20 6.12 0.00 -0.01 -1.36 121.76 129.71 1fy5 s ALA 66 Ca -0.11 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1fy5 s ALA 66 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1fy5 s ALA 66 CO 0.01 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1fy5 n GLY 69 N 0.17 0.49 2.96 0.00 0.00 -1.26 -1.01 105.19 106.54 1fy5 n GLY 69 Ca -0.12 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 1fy5 n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fy5 s SER 70 N -2.97 0.02 0.43 1.61 0.15 -1.26 -4.18 113.70 107.50 1fy5 s SER 70 Ca 0.00 -0.07 0.22 0.00 0.70 0.00 0.00 55.95 56.79 1fy5 s SER 70 Cb 0.00 0.12 0.91 0.00 -1.71 0.00 0.00 66.02 65.34 1fy5 s SER 70 CO 0.00 -0.13 1.84 -0.07 1.20 0.00 0.00 173.24 176.08 1fy5 h LEU 71 N 5.52 0.00 -9.77 3.45 3.38 -1.95 -3.44 115.31 112.50 1fy5 h LEU 71 Ca -0.27 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.16 1fy5 h LEU 71 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1fy5 h LEU 71 CO 0.45 0.27 0.05 -0.55 0.09 0.00 0.00 178.44 178.75 1fy5 s SER 72 N -6.33 7.10 0.06 -0.43 0.15 -1.26 -1.12 113.70 111.87 1fy5 s SER 72 Ca -0.01 1.37 0.26 0.00 0.70 0.00 0.00 55.95 58.27 1fy5 s SER 72 Cb 0.11 -2.40 0.79 0.00 -1.71 0.00 0.00 66.02 62.81 1fy5 s SER 72 CO 0.65 0.16 1.64 -2.11 1.20 0.00 0.00 173.24 174.78 1fy5 n ARG 73 N 1.24 0.11 -0.02 5.44 1.85 -0.57 -4.23 116.66 120.48 1fy5 n ARG 73 Ca -0.06 0.06 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 1fy5 n ARG 73 Cb 0.51 -1.59 -0.13 0.00 -1.05 0.00 0.00 32.46 30.19 1fy5 n ARG 73 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1fy5 n THR 74 N -1.77 0.18 -3.65 8.89 -2.24 -1.26 -4.96 114.28 109.48 1fy5 n THR 74 Ca 0.06 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1fy5 n THR 74 Cb 0.38 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 1fy5 n THR 74 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1fy5 s SER 75 N -4.11 -0.25 0.00 3.42 0.01 -1.26 -5.14 113.70 106.36 1fy5 s SER 75 Ca -0.06 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1fy5 s SER 75 Cb 0.10 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1fy5 s SER 75 CO 0.69 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1fy5 n GLY 76 N 0.08 -1.26 7.00 3.44 0.00 -1.26 -4.41 105.19 108.79 1fy5 n GLY 76 Ca -0.17 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1fy5 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fy5 n GLY 80 N -1.30 0.30 3.12 -0.02 0.00 -1.26 -4.76 105.19 101.27 1fy5 n GLY 80 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1fy5 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fy5 s ILE 81 N 0.00 1.41 0.29 -0.61 1.01 -0.18 -4.95 121.20 118.16 1fy5 s ILE 81 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1fy5 s ILE 81 Cb 0.00 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1fy5 s ILE 81 CO 0.00 0.41 0.08 0.42 0.00 0.00 0.00 174.94 175.84 1fy5 s THR 82 N 0.15 3.47 -0.06 2.92 -4.23 -1.26 -0.83 115.64 115.80 1fy5 s THR 82 Ca -0.06 -1.76 -0.18 0.00 -1.18 0.00 0.00 61.69 58.51 1fy5 s THR 82 Cb -0.12 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.78 1fy5 s THR 82 CO 0.03 -0.31 0.41 -0.55 -0.54 0.00 0.00 174.62 173.66 1fy5 s SER 83 N -3.76 -0.35 0.88 3.99 0.15 -0.43 -4.87 113.70 109.31 1fy5 s SER 83 Ca 0.34 0.41 -0.11 0.00 0.70 0.00 0.00 55.95 57.28 1fy5 s SER 83 Cb -0.05 0.50 0.17 0.00 -1.71 0.00 0.00 66.02 64.93 1fy5 s SER 83 CO 0.22 -0.40 1.22 -0.44 1.20 0.00 0.00 173.24 175.03 1fy5 s SER 84 N -0.91 3.56 -0.06 5.45 0.01 -1.26 -0.77 113.70 119.72 1fy5 s SER 84 Ca -0.10 0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.23 1fy5 s SER 84 Cb -0.04 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1fy5 s SER 84 CO 0.04 -2.43 0.12 -0.76 0.41 0.00 0.00 173.24 170.63 1fy5 s LEU 85 N -5.65 4.18 -0.17 2.44 1.43 -1.26 -1.22 118.68 118.42 1fy5 s LEU 85 Ca 0.71 0.33 0.13 0.00 -1.03 0.00 0.00 54.13 54.27 1fy5 s LEU 85 Cb -0.05 -2.22 -0.24 0.00 0.03 0.00 0.00 46.19 43.72 1fy5 s LEU 85 CO 0.50 0.34 0.16 -0.24 0.23 0.00 0.00 176.35 177.35 1fy5 n SER 86 N 1.58 0.57 -3.60 2.29 2.88 0.51 -4.66 113.62 113.19 1fy5 n SER 86 Ca -0.16 0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.36 1fy5 n SER 86 Cb 0.54 0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 64.46 1fy5 n SER 86 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1fy5 s SER 87 N -5.84 -0.43 -0.03 -3.46 1.04 -1.19 -4.98 113.70 98.81 1fy5 s SER 87 Ca -0.13 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1fy5 s SER 87 Cb 0.07 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.85 1fy5 s SER 87 CO 0.79 -1.11 -0.02 -0.69 0.98 0.00 0.00 173.24 173.20 1fy5 s VAL 88 N -3.78 0.32 -0.12 5.02 1.01 -1.26 -1.29 120.40 120.29 1fy5 s VAL 88 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1fy5 s VAL 88 Cb -0.03 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1fy5 s VAL 88 CO -0.05 0.16 -0.03 -0.60 0.00 0.00 0.00 175.10 174.58 1fy5 s ARG 89 N 0.78 1.11 0.32 2.72 6.06 0.04 -5.01 118.95 124.97 1fy5 s ARG 89 Ca -0.09 -0.21 -0.06 0.00 -2.50 0.00 0.00 55.73 52.88 1fy5 s ARG 89 Cb -0.12 -1.53 -0.05 0.00 0.06 0.00 0.00 34.95 33.31 1fy5 s ARG 89 CO -0.01 -0.35 0.60 0.08 -2.50 0.00 0.00 175.30 173.12 1fy5 s VAL 90 N 1.80 4.97 0.30 7.11 1.01 -1.26 -0.57 120.40 133.75 1fy5 s VAL 90 Ca 0.03 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1fy5 s VAL 90 Cb -0.13 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 1fy5 s VAL 90 CO -0.07 -0.37 1.26 1.57 0.00 0.00 0.00 175.10 177.49 1fy5 n HIS 91 N -1.02 2.01 0.30 5.22 -0.00 -0.40 -4.82 115.22 116.50 1fy5 n HIS 91 Ca -0.01 0.56 0.17 0.00 0.46 0.00 0.00 57.72 58.90 1fy5 n HIS 91 Cb 0.54 -2.39 0.79 0.00 -0.12 0.00 0.00 29.99 28.81 1fy5 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1fy5 h PRO 92 N 2.90 0.00 -0.45 1.57 0.13 -1.92 -1.03 132.00 133.20 1fy5 h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1fy5 h PRO 92 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1fy5 h PRO 92 CO 0.66 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.86 1fy5 n SER 93 N -2.73 4.15 -4.66 1.44 7.64 -1.26 -4.98 113.62 113.21 1fy5 n SER 93 Ca -0.01 -2.56 -0.52 0.00 1.01 0.00 0.00 58.87 56.79 1fy5 n SER 93 Cb 0.16 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 1fy5 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fy5 n TYR 94 N 0.43 2.00 -3.66 1.43 9.36 -0.39 -4.63 117.16 121.70 1fy5 n TYR 94 Ca 0.21 0.40 -0.08 0.00 3.32 0.00 0.00 57.90 61.76 1fy5 n TYR 94 Cb 0.81 -2.48 -0.08 0.00 -0.63 0.00 0.00 39.34 36.96 1fy5 n TYR 94 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1fy5 s SER 95 N 2.30 -0.80 1.78 2.98 0.15 -0.94 -5.03 113.70 114.14 1fy5 s SER 95 Ca 0.90 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.86 1fy5 s SER 95 Cb -0.88 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1fy5 s SER 95 CO 0.52 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1fy5 n GLY 96 N 4.46 3.49 0.21 9.45 0.00 -1.26 -1.86 105.19 119.69 1fy5 n GLY 96 Ca -0.20 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.85 1fy5 n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fy5 n ASN 99 N 4.46 0.95 -4.81 1.61 4.13 -1.26 -4.95 115.26 115.39 1fy5 n ASN 99 Ca 0.00 -0.80 -0.37 0.00 1.68 0.00 0.00 54.58 55.08 1fy5 n ASN 99 Cb 0.00 0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.33 1fy5 n ASN 99 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1fy5 s ASN 100 N -2.57 7.10 -1.25 6.41 2.47 -0.78 -4.19 114.94 122.14 1fy5 s ASN 100 Ca 0.23 1.37 -0.00 0.00 0.42 0.00 0.00 52.86 54.88 1fy5 s ASN 100 Cb 0.19 -2.40 -0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1fy5 s ASN 100 CO 0.54 0.15 0.86 0.59 -3.72 0.00 0.00 177.10 175.52 1fy5 n ASN 101 N 1.20 -1.72 -3.58 -4.21 3.02 -1.26 -2.21 115.26 106.51 1fy5 n ASN 101 Ca -0.06 -0.72 -0.41 0.00 -0.03 0.00 0.00 54.58 53.37 1fy5 n ASN 101 Cb 0.51 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 1fy5 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fy5 n ASP 102 N -3.09 7.47 -4.15 6.41 2.03 -1.26 -4.15 116.55 119.81 1fy5 n ASP 102 Ca -0.29 -3.22 -0.17 0.00 0.52 0.00 0.00 54.79 51.63 1fy5 n ASP 102 Cb 0.67 -1.35 -0.12 0.00 -0.72 0.00 0.00 41.12 39.61 1fy5 n ASP 102 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1fy5 s LEU 103 N -2.18 2.28 0.01 -2.67 1.43 -1.26 -2.71 118.68 113.58 1fy5 s LEU 103 Ca 0.49 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1fy5 s LEU 103 Cb 0.17 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 1fy5 s LEU 103 CO -0.08 -0.12 0.05 0.00 0.23 0.00 0.00 176.35 176.44 1fy5 s ALA 104 N -1.40 -0.10 -0.20 4.21 0.00 -0.08 -1.28 121.76 122.92 1fy5 s ALA 104 Ca -0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 1fy5 s ALA 104 Cb -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1fy5 s ALA 104 CO 0.02 -0.18 0.04 0.42 0.00 0.00 0.00 175.76 176.06 1fy5 s ILE 105 N -1.36 4.35 -0.14 0.00 -1.09 0.26 -1.45 121.20 121.79 1fy5 s ILE 105 Ca -0.15 -0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.06 1fy5 s ILE 105 Cb -0.08 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1fy5 s ILE 105 CO 0.00 0.43 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.36 1fy5 s LEU 106 N 0.81 3.37 -0.14 2.97 1.43 0.37 -0.78 118.68 126.71 1fy5 s LEU 106 Ca 0.02 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1fy5 s LEU 106 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1fy5 s LEU 106 CO 0.02 0.23 0.11 -0.54 0.23 0.00 0.00 176.35 176.41 1fy5 s LYS 107 N -0.00 3.62 -0.08 1.70 -0.14 -0.41 -0.99 119.74 123.43 1fy5 s LYS 107 Ca 0.02 -0.21 -0.10 0.00 -1.36 0.00 0.00 55.97 54.32 1fy5 s LYS 107 Cb -0.13 -3.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.77 1fy5 s LYS 107 CO 0.02 0.60 0.25 -0.51 -0.76 0.00 0.00 175.35 174.96 1fy5 s LEU 108 N -0.53 4.41 0.40 3.17 1.43 -0.08 -0.36 118.68 127.11 1fy5 s LEU 108 Ca 0.12 0.65 0.19 0.00 -1.03 0.00 0.00 54.13 54.06 1fy5 s LEU 108 Cb -0.12 -2.28 0.81 0.00 0.03 0.00 0.00 46.19 44.63 1fy5 s LEU 108 CO 0.02 0.35 1.80 0.28 0.23 0.00 0.00 176.35 179.03 1fy5 h SER 109 N 5.05 0.00 -3.17 2.29 0.02 -1.43 -3.42 113.55 112.88 1fy5 h SER 109 Ca -0.52 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.83 1fy5 h SER 109 Cb 1.22 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.41 1fy5 h SER 109 CO 0.61 0.33 -0.84 -0.89 -1.14 0.00 0.00 176.83 174.90 1fy5 s THR 110 N -3.78 1.58 0.39 -2.27 2.01 -1.26 -5.00 115.64 107.31 1fy5 s THR 110 Ca -0.01 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 1fy5 s THR 110 Cb 0.12 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 71.08 1fy5 s THR 110 CO 0.67 0.46 1.21 -0.44 -0.69 0.00 0.00 174.62 175.84 1fy5 s SER 111 N 1.28 6.49 -0.26 3.53 0.01 -1.26 -4.82 113.70 118.67 1fy5 s SER 111 Ca 0.00 2.45 0.01 0.00 1.31 0.00 0.00 55.95 59.72 1fy5 s SER 111 Cb -0.14 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.52 1fy5 s SER 111 CO -0.07 -0.70 -0.08 -0.63 0.41 0.00 0.00 173.24 172.16 1fy5 s ILE 112 N -1.34 2.52 0.47 1.44 1.01 0.47 -5.01 121.20 120.76 1fy5 s ILE 112 Ca 0.56 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 1fy5 s ILE 112 Cb -0.33 -2.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 1fy5 s ILE 112 CO 0.42 0.07 0.99 -2.16 0.00 0.00 0.00 174.94 174.27 1fy5 s PRO 113 N 1.21 3.98 0.57 2.79 0.04 -1.26 -4.25 135.00 138.09 1fy5 s PRO 113 Ca -0.04 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 1fy5 s PRO 113 Cb -0.18 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1fy5 s PRO 113 CO -0.05 -0.26 1.02 0.45 0.04 0.00 0.00 177.00 178.20 1fy5 s SER 114 N -2.22 6.24 0.00 6.66 0.15 -1.26 -4.86 113.70 118.41 1fy5 s SER 114 Ca 0.64 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.88 1fy5 s SER 114 Cb -0.12 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1fy5 s SER 114 CO 0.19 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1fy5 n GLY 115 N -1.76 4.26 7.00 9.45 0.00 0.02 -4.99 105.19 119.17 1fy5 n GLY 115 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1fy5 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fy5 n GLY 116 N -1.72 2.65 1.29 -0.02 0.00 -1.26 -1.82 105.19 104.31 1fy5 n GLY 116 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.67 1fy5 n GLY 116 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fy5 n ASN 117 N 3.71 3.46 -4.37 1.61 3.02 -1.26 -4.79 115.26 116.64 1fy5 n ASN 117 Ca 0.00 -2.54 -0.33 0.00 -0.03 0.00 0.00 54.58 51.68 1fy5 n ASN 117 Cb 0.00 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.41 1fy5 n ASN 117 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1fy5 s ILE 118 N -1.89 2.88 0.29 2.41 1.01 -0.76 -4.46 121.20 120.69 1fy5 s ILE 118 Ca 0.29 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1fy5 s ILE 118 Cb 0.22 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1fy5 s ILE 118 CO 0.08 0.55 0.34 0.61 0.00 0.00 0.00 174.94 176.52 1fy5 n GLY 119 N 3.18 2.62 3.56 6.18 0.00 -0.57 -0.80 105.19 119.37 1fy5 n GLY 119 Ca -0.18 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1fy5 n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fy5 s TYR 120 N -3.18 2.73 0.50 1.61 2.02 -1.26 -3.40 117.35 116.37 1fy5 s TYR 120 Ca 0.29 -0.16 -0.20 0.00 -0.37 0.00 0.00 57.07 56.63 1fy5 s TYR 120 Cb 0.00 -1.45 -0.08 0.00 -0.40 0.00 0.00 41.96 40.03 1fy5 s TYR 120 CO 0.21 0.40 1.08 0.00 -1.57 0.00 0.00 175.55 175.66 1fy5 s ALA 121 N -1.16 2.83 -0.19 3.71 0.00 -0.38 -4.84 121.76 121.72 1fy5 s ALA 121 Ca 0.20 0.71 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 1fy5 s ALA 121 Cb -0.11 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1fy5 s ALA 121 CO 0.12 -0.49 0.07 0.50 0.00 0.00 0.00 175.76 175.96 1fy5 s ARG 122 N -3.18 3.94 0.03 0.00 3.52 -1.26 -4.90 118.95 117.10 1fy5 s ARG 122 Ca 0.69 -0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 1fy5 s ARG 122 Cb -0.20 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1fy5 s ARG 122 CO 0.24 0.21 0.22 -0.51 -0.81 0.00 0.00 175.30 174.64 1fy5 s LEU 123 N 0.56 4.36 0.63 -0.88 1.43 -1.26 -0.43 118.68 123.08 1fy5 s LEU 123 Ca 0.03 0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.31 1fy5 s LEU 123 Cb -0.13 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1fy5 s LEU 123 CO 0.01 0.22 1.28 0.00 0.23 0.00 0.00 176.35 178.09 1fy5 n ALA 124 N 0.69 1.17 -1.78 4.21 0.00 -0.57 -4.85 120.51 119.39 1fy5 n ALA 124 Ca -0.08 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1fy5 n ALA 124 Cb 0.52 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 1fy5 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fy5 s ALA 125 N -1.37 2.80 0.17 0.00 0.00 -1.26 -4.44 121.76 117.66 1fy5 s ALA 125 Ca 0.80 0.73 -0.33 0.00 0.00 0.00 0.00 51.96 53.17 1fy5 s ALA 125 Cb -0.39 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 1fy5 s ALA 125 CO 0.42 -0.54 1.69 0.45 0.00 0.00 0.00 175.76 177.78 1fy5 n SER 126 N -1.05 3.63 0.00 0.00 2.88 -1.26 -1.69 113.62 116.13 1fy5 n SER 126 Ca 0.10 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1fy5 n SER 126 Cb 0.51 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1fy5 n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fy5 n GLY 127 N 3.81 0.86 3.87 0.46 0.00 -1.14 -5.05 105.19 108.00 1fy5 n GLY 127 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1fy5 n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fy5 s SER 128 N -2.73 6.10 -0.17 1.61 1.04 -0.68 -4.99 113.70 113.88 1fy5 s SER 128 Ca 0.00 1.40 -0.09 0.00 0.48 0.00 0.00 55.95 57.74 1fy5 s SER 128 Cb 0.00 -2.42 0.06 0.00 0.10 0.00 0.00 66.02 63.76 1fy5 s SER 128 CO 0.00 -0.95 0.41 -0.62 0.98 0.00 0.00 173.24 173.06 1fy5 s ASP 129 N -4.17 -0.49 0.36 7.02 2.15 -1.26 -4.20 116.67 116.07 1fy5 s ASP 129 Ca 0.55 0.90 -0.28 0.00 0.43 0.00 0.00 52.55 54.15 1fy5 s ASP 129 Cb -0.11 0.82 -0.11 0.00 -0.30 0.00 0.00 42.92 43.22 1fy5 s ASP 129 CO 0.54 -0.20 1.43 -2.84 -0.17 0.00 0.00 175.17 173.93 1fy5 s PRO 130 N 1.51 4.19 0.02 4.34 0.02 -1.26 -4.97 135.00 138.86 1fy5 s PRO 130 Ca -0.09 2.45 -0.21 0.00 0.02 0.00 0.00 61.00 63.17 1fy5 s PRO 130 Cb -0.09 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.37 1fy5 s PRO 130 CO -0.13 -0.42 0.63 0.08 -0.33 0.00 0.00 177.00 176.83 1fy5 s VAL 131 N -1.06 4.84 0.28 3.83 1.01 -1.26 -5.00 120.40 123.04 1fy5 s VAL 131 Ca 0.52 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.53 1fy5 s VAL 131 Cb -0.44 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 31.84 1fy5 s VAL 131 CO 0.59 0.43 1.26 0.00 0.00 0.00 0.00 175.10 177.38 1fy5 n ALA 132 N 2.61 0.78 0.00 5.51 0.00 -1.26 -1.75 120.51 126.39 1fy5 n ALA 132 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1fy5 n ALA 132 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1fy5 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fy5 n GLY 133 N 1.42 2.51 3.78 0.00 0.00 0.01 -4.95 105.19 107.96 1fy5 n GLY 133 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1fy5 n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fy5 s SER 134 N -2.06 5.21 0.08 1.61 1.04 -0.72 -4.62 113.70 114.24 1fy5 s SER 134 Ca 0.00 1.93 -0.23 0.00 0.48 0.00 0.00 55.95 58.12 1fy5 s SER 134 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 1fy5 s SER 134 CO 0.00 -1.56 0.71 -0.44 0.98 0.00 0.00 173.24 172.93 1fy5 s SER 135 N -2.76 7.20 0.09 7.02 0.01 -1.26 -0.80 113.70 123.20 1fy5 s SER 135 Ca 0.65 1.43 0.03 0.00 1.31 0.00 0.00 55.95 59.37 1fy5 s SER 135 Cb -0.19 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1fy5 s SER 135 CO 0.42 0.13 -0.09 0.00 0.41 0.00 0.00 173.24 174.11 1fy5 s ALA 136 N -0.58 1.05 -0.06 1.44 0.00 -0.27 -3.12 121.76 120.23 1fy5 s ALA 136 Ca 0.35 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1fy5 s ALA 136 Cb -0.21 0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1fy5 s ALA 136 CO 0.22 -0.08 -0.13 0.99 0.00 0.00 0.00 175.76 176.77 1fy5 s THR 137 N -2.62 1.15 0.11 0.00 2.01 -0.14 -0.83 115.64 115.32 1fy5 s THR 137 Ca 0.06 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 61.65 1fy5 s THR 137 Cb -0.02 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1fy5 s THR 137 CO -0.01 0.35 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.33 1fy5 s VAL 138 N 0.51 2.32 0.03 3.82 1.01 -0.35 -0.84 120.40 126.90 1fy5 s VAL 138 Ca -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1fy5 s VAL 138 Cb -0.14 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1fy5 s VAL 138 CO 0.03 0.15 0.06 0.00 0.00 0.00 0.00 175.10 175.34 1fy5 s ALA 139 N -1.02 -0.03 0.00 5.51 0.00 -1.07 -1.08 121.76 124.06 1fy5 s ALA 139 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1fy5 s ALA 139 Cb -0.10 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1fy5 s ALA 139 CO 0.06 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1fy5 n GLY 140 N 1.10 -1.60 0.94 0.00 0.00 -0.47 -4.22 105.19 100.94 1fy5 n GLY 140 Ca -0.21 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.82 1fy5 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fy5 n TRP 141 N 0.69 0.95 -1.70 1.61 8.01 -1.26 -1.88 117.44 123.85 1fy5 n TRP 141 Ca 0.00 -0.78 -0.30 0.00 -1.31 0.00 0.00 57.50 55.11 1fy5 n TRP 141 Cb 0.00 -0.27 0.21 0.00 -2.01 0.00 0.00 31.31 29.24 1fy5 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1fy5 s GLY 142 N -1.62 1.74 0.59 6.99 0.00 -1.25 -4.11 107.32 109.66 1fy5 s GLY 142 Ca 0.40 -1.18 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 1fy5 s GLY 142 CO 0.11 -0.35 1.32 0.00 0.00 0.00 0.00 173.10 174.18 1fy5 s ALA 143 N -3.67 2.62 -1.74 3.20 0.00 -0.29 -2.84 121.76 119.05 1fy5 s ALA 143 Ca 0.74 1.27 0.22 0.00 0.00 0.00 0.00 51.96 54.19 1fy5 s ALA 143 Cb -0.05 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1fy5 s ALA 143 CO 0.54 -1.46 1.06 0.25 0.00 0.00 0.00 175.76 176.16 1fy5 n THR 144 N -1.42 0.00 -4.40 0.00 -2.24 -1.25 -0.98 114.28 103.99 1fy5 n THR 144 Ca 0.13 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1fy5 n THR 144 Cb 0.47 1.14 -0.14 0.00 -2.10 0.00 0.00 70.33 69.69 1fy5 n THR 144 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1fy5 s SER 145 N -2.62 1.36 0.16 3.42 0.01 -1.26 -4.50 113.70 110.26 1fy5 s SER 145 Ca 0.16 -0.30 -0.34 0.00 1.31 0.00 0.00 55.95 56.78 1fy5 s SER 145 Cb 0.18 -0.12 -0.15 0.00 0.21 0.00 0.00 66.02 66.14 1fy5 s SER 145 CO 0.65 0.08 1.39 1.21 0.41 0.00 0.00 173.24 176.98 1fy5 n GLU 146 N 2.43 1.66 -2.35 12.44 2.13 -1.26 -1.82 120.64 133.87 1fy5 n GLU 146 Ca -0.16 0.60 -0.18 0.00 0.66 0.00 0.00 57.16 58.08 1fy5 n GLU 146 Cb 0.56 -2.25 -0.01 0.00 0.27 0.00 0.00 31.44 30.01 1fy5 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fy5 n GLY 147 N 2.59 -0.38 3.85 8.31 0.00 -1.26 -5.01 105.19 113.30 1fy5 n GLY 147 Ca 0.16 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1fy5 n GLY 147 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fy5 s GLY 148 N -2.17 1.97 0.03 -0.02 0.00 -0.75 -4.97 107.32 101.40 1fy5 s GLY 148 Ca 0.00 0.12 0.25 0.00 0.00 0.00 0.00 44.72 45.09 1fy5 s GLY 148 CO 0.00 0.39 1.45 -1.14 0.00 0.00 0.00 173.10 173.80 1fy5 n SER 149 N -1.86 0.49 -3.73 1.64 3.41 -1.26 -4.89 113.62 107.41 1fy5 n SER 149 Ca 0.06 -0.09 -0.14 0.00 -0.26 0.00 0.00 58.87 58.45 1fy5 n SER 149 Cb 0.54 0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1fy5 n SER 149 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fy5 s SER 150 N -3.27 -0.29 -0.01 4.04 1.04 -1.26 -5.16 113.70 108.79 1fy5 s SER 150 Ca 0.10 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.89 1fy5 s SER 150 Cb 0.17 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1fy5 s SER 150 CO 0.69 -0.39 -0.12 -0.89 0.98 0.00 0.00 173.24 173.51 1fy5 s THR 151 N -0.95 3.25 0.53 2.02 2.01 -1.26 -4.61 115.64 116.62 1fy5 s THR 151 Ca -0.10 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 1fy5 s THR 151 Cb -0.04 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1fy5 s THR 151 CO 0.04 0.46 1.22 -2.16 -0.69 0.00 0.00 174.62 173.49 1fy5 s PRO 152 N -1.15 3.34 0.12 4.92 0.04 -1.26 -4.94 135.00 136.07 1fy5 s PRO 152 Ca 0.14 1.89 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 1fy5 s PRO 152 Cb -0.11 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1fy5 s PRO 152 CO 0.04 -0.93 1.34 0.28 0.04 0.00 0.00 177.00 177.77 1fy5 h VAL 153 N 1.42 1.30 -3.09 -0.36 2.07 -1.94 -3.46 116.25 112.19 1fy5 h VAL 153 Ca -0.50 -2.02 -0.65 0.00 0.82 0.00 0.00 66.70 64.35 1fy5 h VAL 153 Cb 1.28 2.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.97 1fy5 h VAL 153 CO 0.58 0.63 -0.57 0.20 0.02 0.00 0.00 177.57 178.43 1fy5 s ASN 154 N -7.08 5.73 0.33 0.57 0.01 -1.26 -1.51 114.94 111.73 1fy5 s ASN 154 Ca -0.09 0.14 -0.29 0.00 -0.71 0.00 0.00 52.86 51.91 1fy5 s ASN 154 Cb 0.09 -1.65 -0.11 0.00 0.41 0.00 0.00 41.25 39.99 1fy5 s ASN 154 CO 0.89 0.25 1.55 -0.11 -1.51 0.00 0.00 177.10 178.17 1fy5 n LEU 155 N 1.02 4.50 -4.59 0.60 7.94 -0.27 -4.88 117.00 121.32 1fy5 n LEU 155 Ca -0.12 1.18 -0.23 0.00 -1.11 0.00 0.00 56.01 55.73 1fy5 n LEU 155 Cb 0.52 -1.60 -0.08 0.00 0.53 0.00 0.00 43.42 42.79 1fy5 n LEU 155 CO 0.40 0.14 -0.37 -0.76 -1.11 0.00 0.00 177.39 175.69 1fy5 s LEU 156 N -1.06 3.02 0.05 -1.96 1.43 -0.79 -1.38 118.68 117.99 1fy5 s LEU 156 Ca 0.60 -0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1fy5 s LEU 156 Cb -0.49 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1fy5 s LEU 156 CO 0.54 0.01 0.10 -1.59 0.23 0.00 0.00 176.35 175.64 1fy5 s LYS 157 N -3.61 0.66 -0.03 1.70 -2.85 -0.22 -1.37 119.74 114.01 1fy5 s LYS 157 Ca 0.31 -0.90 -0.14 0.00 -1.00 0.00 0.00 55.97 54.25 1fy5 s LYS 157 Cb -0.06 0.26 0.02 0.00 -2.06 0.00 0.00 37.83 35.99 1fy5 s LYS 157 CO 0.18 -0.17 0.30 0.54 0.10 0.00 0.00 175.35 176.30 1fy5 s VAL 158 N -3.19 0.05 -0.16 1.79 0.11 -0.25 -0.96 120.40 117.80 1fy5 s VAL 158 Ca -0.00 -0.41 -0.05 0.00 -2.93 0.00 0.00 61.98 58.59 1fy5 s VAL 158 Cb 0.02 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1fy5 s VAL 158 CO -0.07 -0.23 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.58 1fy5 s THR 159 N -1.08 4.23 0.02 5.04 2.01 -1.26 -1.21 115.64 123.39 1fy5 s THR 159 Ca -0.11 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1fy5 s THR 159 Cb -0.05 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1fy5 s THR 159 CO 0.03 0.49 -0.00 0.68 -0.69 0.00 0.00 174.62 175.13 1fy5 s VAL 160 N 0.30 0.11 0.40 3.82 -7.23 -0.01 -4.97 120.40 112.81 1fy5 s VAL 160 Ca -0.01 -0.91 -0.20 0.00 -1.81 0.00 0.00 61.98 59.05 1fy5 s VAL 160 Cb -0.13 -0.34 -0.10 0.00 0.56 0.00 0.00 36.38 36.36 1fy5 s VAL 160 CO 0.02 -0.50 0.89 -2.16 -0.31 0.00 0.00 175.10 173.04 1fy5 s PRO 161 N -1.56 4.18 0.32 4.82 0.04 -1.26 -1.12 135.00 140.43 1fy5 s PRO 161 Ca -0.15 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 1fy5 s PRO 161 Cb -0.09 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 1fy5 s PRO 161 CO -0.01 0.03 1.37 0.42 0.04 0.00 0.00 177.00 178.85 1fy5 s ILE 162 N -2.12 2.56 -0.16 0.56 -1.09 0.02 -1.49 121.20 119.49 1fy5 s ILE 162 Ca 0.60 0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 59.51 1fy5 s ILE 162 Cb -0.10 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1fy5 s ILE 162 CO 0.14 0.12 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.28 1fy5 s VAL 163 N -0.90 4.21 0.63 2.92 1.01 -0.17 -0.81 120.40 127.28 1fy5 s VAL 163 Ca 0.52 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1fy5 s VAL 163 Cb -0.42 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1fy5 s VAL 163 CO 0.53 0.49 1.13 -1.54 0.00 0.00 0.00 175.10 175.70 1fy5 n SER 164 N 3.47 1.39 -0.11 3.32 3.41 -1.26 -4.05 113.62 119.80 1fy5 n SER 164 Ca -0.17 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1fy5 n SER 164 Cb 0.52 -1.47 0.28 0.00 -0.26 0.00 0.00 64.21 63.28 1fy5 n SER 164 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1fy5 h ARG 165 N 0.47 0.77 -0.46 4.33 2.43 -1.94 -0.51 114.38 119.47 1fy5 h ARG 165 Ca -0.50 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1fy5 h ARG 165 Cb 1.35 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1fy5 h ARG 165 CO 0.52 0.59 0.27 0.00 -1.51 0.00 0.00 179.97 179.84 1fy5 h ALA 166 N 1.53 0.58 -0.38 2.80 0.00 -1.99 0.36 119.26 122.17 1fy5 h ALA 166 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1fy5 h ALA 166 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1fy5 h ALA 166 CO -0.03 0.08 0.15 1.15 0.00 0.00 0.00 179.25 180.60 1fy5 h THR 167 N 0.61 1.19 -0.86 0.00 2.02 -1.78 -1.47 112.91 112.63 1fy5 h THR 167 Ca 0.16 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1fy5 h THR 167 Cb 0.00 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1fy5 h THR 167 CO -0.03 0.21 0.52 0.00 0.37 0.00 0.00 175.52 176.59 1fy5 h ARG 169 N 1.18 0.59 -0.05 0.00 3.08 -0.69 -0.54 114.38 117.95 1fy5 h ARG 169 Ca 0.31 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1fy5 h ARG 169 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1fy5 h ARG 169 CO -0.06 0.64 -0.25 0.00 -1.07 0.00 0.00 179.97 179.23 1fy5 h ALA 170 N 1.41 1.50 -0.05 0.04 0.00 -0.43 0.16 119.26 121.89 1fy5 h ALA 170 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1fy5 h ALA 170 Cb 0.41 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1fy5 h ALA 170 CO 0.02 0.37 -0.36 1.96 0.00 0.00 0.00 179.25 181.24 1fy5 h GLN 171 N 0.07 0.33 0.00 0.00 4.20 -0.68 -3.40 115.11 115.63 1fy5 h GLN 171 Ca 0.01 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1fy5 h GLN 171 Cb 0.49 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1fy5 h GLN 171 CO 0.03 0.95 -1.53 0.66 -0.67 0.00 0.00 178.83 178.28 1fy5 n TYR 172 N -4.40 0.00 0.00 2.96 4.01 -0.27 -5.02 117.16 114.44 1fy5 n TYR 172 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1fy5 n TYR 172 Cb 0.53 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1fy5 n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fy5 n GLY 173 N 1.65 3.11 0.12 2.72 0.00 0.57 -4.67 105.19 108.68 1fy5 n GLY 173 Ca -0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 1fy5 n GLY 173 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fy5 h THR 173 N 0.00 1.14 0.00 2.61 2.02 -1.93 -2.80 112.91 113.95 1fy5 h THR 173 Ca 0.00 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1fy5 h THR 173 Cb 0.00 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1fy5 h THR 173 CO 0.00 0.13 -0.05 0.28 0.37 0.00 0.00 175.52 176.25 1fy5 h SER 174 N 0.21 0.00 0.52 4.18 0.02 -1.92 -3.27 113.55 113.29 1fy5 h SER 174 Ca 0.07 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1fy5 h SER 174 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1fy5 h SER 174 CO -0.01 0.05 -0.54 0.00 -1.14 0.00 0.00 176.83 175.19 1fy5 h ALA 175 N 1.95 1.08 -3.05 3.77 0.00 -1.76 -3.40 119.26 117.84 1fy5 h ALA 175 Ca -0.00 -0.50 -0.69 0.00 0.00 0.00 0.00 54.91 53.72 1fy5 h ALA 175 Cb 0.76 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.19 1fy5 h ALA 175 CO 0.01 0.68 -0.60 0.42 0.00 0.00 0.00 179.25 179.76 1fy5 s ILE 176 N -3.79 3.97 0.62 0.00 -1.09 -1.23 -5.01 121.20 114.66 1fy5 s ILE 176 Ca -0.02 -0.92 0.03 0.00 -2.23 0.00 0.00 60.65 57.51 1fy5 s ILE 176 Cb 0.13 -3.16 0.08 0.00 -1.58 0.00 0.00 42.46 37.93 1fy5 s ILE 176 CO 0.76 -0.09 0.85 0.42 -1.23 0.00 0.00 174.94 175.65 1fy5 s THR 177 N 1.46 2.35 -1.74 2.92 -4.23 -1.26 -4.96 115.64 110.18 1fy5 s THR 177 Ca 0.00 -0.74 0.21 0.00 -1.18 0.00 0.00 61.69 59.98 1fy5 s THR 177 Cb -0.19 -2.61 0.50 0.00 1.34 0.00 0.00 72.50 71.55 1fy5 s THR 177 CO 0.03 0.00 1.67 0.59 -0.54 0.00 0.00 174.62 176.38 1fy5 n ASN 178 N -2.48 0.00 -1.34 3.99 4.13 -1.26 -2.18 115.26 116.12 1fy5 n ASN 178 Ca 0.13 -0.37 0.09 0.00 1.68 0.00 0.00 54.58 56.11 1fy5 n ASN 178 Cb 0.60 -0.13 0.31 0.00 -1.54 0.00 0.00 39.78 39.02 1fy5 n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fy5 n GLN 179 N -1.13 3.37 -4.32 3.52 3.00 -1.26 -4.86 117.38 115.70 1fy5 n GLN 179 Ca 0.13 -2.72 -0.23 0.00 -0.01 0.00 0.00 57.00 54.17 1fy5 n GLN 179 Cb 0.12 -1.74 -0.12 0.00 0.00 0.00 0.00 30.24 28.50 1fy5 n GLN 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1fy5 s MET 180 N -1.66 1.22 0.17 -1.09 -1.94 -0.93 -1.30 119.30 113.77 1fy5 s MET 180 Ca 0.46 -1.29 -0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1fy5 s MET 180 Cb 0.29 -1.40 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 1fy5 s MET 180 CO 0.23 0.31 0.07 -0.59 -0.01 0.00 0.00 175.02 175.03 1fy5 s PHE 181 N -1.57 1.06 0.17 -0.03 -0.12 -0.38 -4.78 117.98 112.33 1fy5 s PHE 181 Ca 0.11 -1.24 0.10 0.00 -0.05 0.00 0.00 56.93 55.85 1fy5 s PHE 181 Cb -0.08 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1fy5 s PHE 181 CO 0.06 -0.49 -0.21 0.00 -0.05 0.00 0.00 175.22 174.52 1fy5 s ALA 183 N -1.74 -1.42 0.00 0.00 0.00 -0.42 -1.00 121.76 117.18 1fy5 s ALA 183 Ca 0.17 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1fy5 s ALA 183 Cb -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1fy5 s ALA 183 CO 0.08 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1fy5 n GLY 184 N 1.71 -0.41 3.49 0.00 0.00 -0.55 -1.19 105.19 108.23 1fy5 n GLY 184 Ca -0.18 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1fy5 n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fy5 s VAL 184 N -1.87 3.22 0.29 1.61 -7.23 -1.26 -4.19 120.40 110.96 1fy5 s VAL 184 Ca 0.00 -0.65 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1fy5 s VAL 184 Cb 0.00 -2.29 0.17 0.00 0.56 0.00 0.00 36.38 34.83 1fy5 s VAL 184 CO 0.00 0.58 1.85 -1.28 -0.31 0.00 0.00 175.10 175.95 1fy5 h SER 185 N 5.50 0.79 0.00 4.85 0.87 -1.99 0.58 113.55 124.14 1fy5 h SER 185 Ca -0.44 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1fy5 h SER 185 Cb 1.16 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1fy5 h SER 185 CO 0.52 0.74 0.00 -1.54 -0.53 0.00 0.00 176.83 176.01 1fy5 n SER 186 N -4.30 0.00 0.00 6.23 3.41 -1.26 -1.22 113.62 116.48 1fy5 n SER 186 Ca 0.05 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1fy5 n SER 186 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1fy5 n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fy5 n GLY 187 N 0.81 -2.24 0.00 5.00 0.00 0.19 -4.38 105.19 104.57 1fy5 n GLY 187 Ca 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1fy5 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fy5 n GLY 188 N -0.45 1.28 2.75 -0.02 0.00 -0.11 -4.79 105.19 103.85 1fy5 n GLY 188 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1fy5 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fy5 s LYS 188 N -0.86 0.50 0.03 1.61 1.02 -1.26 -3.60 119.74 117.20 1fy5 s LYS 188 Ca 0.00 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.80 1fy5 s LYS 188 Cb 0.00 -1.04 0.10 0.00 -0.52 0.00 0.00 37.83 36.37 1fy5 s LYS 188 CO 0.00 -0.35 1.09 0.34 -0.92 0.00 0.00 175.35 175.52 1fy5 s ASP 189 N 1.99 -0.15 0.57 2.83 -1.08 -0.74 -4.49 116.67 115.60 1fy5 s ASP 189 Ca 0.04 -0.21 -0.12 0.00 -0.52 0.00 0.00 52.55 51.74 1fy5 s ASP 189 Cb -0.13 0.32 -0.05 0.00 -1.46 0.00 0.00 42.92 41.60 1fy5 s ASP 189 CO -0.05 -0.58 0.98 -0.94 0.52 0.00 0.00 175.17 175.11 1fy5 s SER 190 N -2.81 6.36 0.32 -0.34 1.04 -1.26 -0.57 113.70 116.44 1fy5 s SER 190 Ca 0.12 1.41 0.05 0.00 0.48 0.00 0.00 55.95 58.00 1fy5 s SER 190 Cb 0.01 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1fy5 s SER 190 CO -0.02 -0.74 0.21 0.00 0.98 0.00 0.00 173.24 173.66 1fy5 n GLN 192 N -0.62 1.89 0.00 0.00 3.00 -1.26 -1.25 117.38 119.13 1fy5 n GLN 192 Ca 0.03 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1fy5 n GLN 192 Cb 0.64 -2.39 0.00 0.00 0.00 0.00 0.00 30.24 28.49 1fy5 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fy5 n GLY 193 N 2.91 1.30 0.02 1.08 0.00 -1.26 -1.14 105.19 108.11 1fy5 n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1fy5 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fy5 n ASP 194 N 0.00 0.56 -4.60 1.61 8.00 -0.38 -3.77 116.55 117.97 1fy5 n ASP 194 Ca 0.00 -0.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.92 1fy5 n ASP 194 Cb 0.00 0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1fy5 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1fy5 n SER 195 N -1.69 1.25 0.00 -2.24 7.64 -1.26 -1.86 113.62 115.46 1fy5 n SER 195 Ca 0.05 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1fy5 n SER 195 Cb 0.37 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1fy5 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fy5 n GLY 196 N 1.21 3.08 3.83 0.23 0.00 -0.03 -0.82 105.19 112.68 1fy5 n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1fy5 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fy5 s GLY 197 N -1.51 1.62 0.28 -0.02 0.00 -0.78 -3.65 107.32 103.25 1fy5 s GLY 197 Ca 0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 1fy5 s GLY 197 CO 0.00 -0.12 0.79 2.56 0.00 0.00 0.00 173.10 176.33 1fy5 s PRO 198 N -5.49 4.28 -0.10 2.90 0.04 -1.26 -1.11 135.00 134.26 1fy5 s PRO 198 Ca 0.66 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1fy5 s PRO 198 Cb -0.11 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.70 1fy5 s PRO 198 CO 0.52 0.30 -0.20 -1.50 0.04 0.00 0.00 177.00 176.16 1fy5 s ILE 199 N -1.67 1.78 0.19 0.56 2.07 -0.79 -2.60 121.20 120.73 1fy5 s ILE 199 Ca 0.48 -0.84 0.10 0.00 -1.41 0.00 0.00 60.65 58.98 1fy5 s ILE 199 Cb -0.15 -1.56 -0.04 0.00 0.13 0.00 0.00 42.46 40.83 1fy5 s ILE 199 CO 0.20 0.50 -0.18 0.68 -1.91 0.00 0.00 174.94 174.22 1fy5 s VAL 200 N 0.56 2.68 0.46 4.00 -7.23 -0.02 -1.49 120.40 119.36 1fy5 s VAL 200 Ca -0.15 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1fy5 s VAL 200 Cb -0.17 -2.30 0.10 0.00 0.56 0.00 0.00 36.38 34.57 1fy5 s VAL 200 CO 0.05 -0.11 0.63 -0.90 -0.31 0.00 0.00 175.10 174.46 1fy5 n ASP 201 N 0.20 0.48 0.00 4.85 5.68 -0.42 -0.97 116.55 126.38 1fy5 n ASP 201 Ca -0.12 -1.49 0.12 0.00 -0.50 0.00 0.00 54.79 52.80 1fy5 n ASP 201 Cb 0.56 -0.44 0.64 0.00 -1.14 0.00 0.00 41.12 40.73 1fy5 n ASP 201 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1fy5 n SER 201 N -3.16 0.00 -1.09 -1.12 3.41 -1.18 -0.89 113.62 109.59 1fy5 n SER 201 Ca 0.09 -0.31 0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1fy5 n SER 201 Cb 0.33 -0.18 0.21 0.00 -0.26 0.00 0.00 64.21 64.30 1fy5 n SER 201 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fy5 n SER 202 N -1.18 3.29 -0.44 4.04 3.41 -1.26 -4.96 113.62 116.51 1fy5 n SER 202 Ca 0.14 -1.98 -0.06 0.00 -0.26 0.00 0.00 58.87 56.71 1fy5 n SER 202 Cb 0.15 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1fy5 n SER 202 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1fy5 n ASN 203 N 1.41 -4.18 -4.74 4.04 3.02 -0.07 -5.01 115.26 109.73 1fy5 n ASN 203 Ca 0.18 0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.47 1fy5 n ASN 203 Cb 0.59 -2.19 -0.05 0.00 -0.61 0.00 0.00 39.78 37.52 1fy5 n ASN 203 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1fy5 s THR 204 N -2.05 4.44 -0.24 3.41 2.01 -1.26 -4.75 115.64 117.19 1fy5 s THR 204 Ca 0.00 1.99 -0.29 0.00 0.31 0.00 0.00 61.69 63.70 1fy5 s THR 204 Cb 0.00 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1fy5 s THR 204 CO 0.00 0.37 1.49 -0.22 -0.69 0.00 0.00 174.62 175.58 1fy5 s LEU 209 N -0.32 3.92 -0.01 4.42 2.96 0.43 -1.30 118.68 128.78 1fy5 s LEU 209 Ca 0.44 1.50 0.14 0.00 -0.22 0.00 0.00 54.13 55.99 1fy5 s LEU 209 Cb -0.23 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.72 1fy5 s LEU 209 CO 0.29 -1.16 0.38 2.30 -1.32 0.00 0.00 176.35 176.84 1fy5 n ILE 210 N 6.26 0.00 -3.86 6.68 -5.35 -0.55 -1.50 119.36 121.03 1fy5 n ILE 210 Ca 0.17 -0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.34 1fy5 n ILE 210 Cb 0.46 0.41 0.01 0.00 -1.74 0.00 0.00 39.64 38.78 1fy5 n ILE 210 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1fy5 s GLY 211 N -3.23 0.06 0.01 3.28 0.00 -1.01 -1.28 107.32 105.15 1fy5 s GLY 211 Ca -0.02 -0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.50 1fy5 s GLY 211 CO 0.57 2.16 -0.19 0.00 0.00 0.00 0.00 173.10 175.64 1fy5 s ALA 212 N -2.30 1.58 0.13 3.20 0.00 -0.83 -1.89 121.76 121.65 1fy5 s ALA 212 Ca 0.21 -0.88 -0.34 0.00 0.00 0.00 0.00 51.96 50.94 1fy5 s ALA 212 Cb -0.02 -0.36 -0.14 0.00 0.00 0.00 0.00 23.12 22.60 1fy5 s ALA 212 CO 0.05 0.37 1.61 0.28 0.00 0.00 0.00 175.76 178.07 1fy5 n VAL 213 N 2.31 0.07 0.00 0.00 0.31 -0.27 -1.30 118.33 119.46 1fy5 n VAL 213 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1fy5 n VAL 213 Cb 0.54 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1fy5 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1fy5 n SER 214 N 3.79 0.03 -3.37 4.52 2.88 -0.94 -0.85 113.62 119.69 1fy5 n SER 214 Ca 0.18 0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1fy5 n SER 214 Cb 0.29 -0.01 -0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1fy5 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1fy5 s TRP 215 N -1.04 0.11 0.00 0.66 1.48 -0.69 -4.94 118.94 114.52 1fy5 s TRP 215 Ca 0.00 -0.65 0.00 0.00 -1.06 0.00 0.00 56.10 54.39 1fy5 s TRP 215 Cb 0.00 0.66 0.00 0.00 -1.16 0.00 0.00 33.47 32.97 1fy5 s TRP 215 CO 0.00 -1.37 0.00 0.41 -4.06 0.00 0.00 176.95 171.93 1fy5 n GLY 216 N -0.50 0.36 3.44 3.67 0.00 -1.26 -0.71 105.19 110.19 1fy5 n GLY 216 Ca -0.05 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1fy5 n GLY 216 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fy5 s ASN 217 N 0.00 6.18 0.93 1.61 2.47 -1.26 -4.89 114.94 119.98 1fy5 s ASN 217 Ca 0.00 -1.08 0.00 0.00 0.42 0.00 0.00 52.86 52.20 1fy5 s ASN 217 Cb 0.00 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1fy5 s ASN 217 CO 0.00 -1.35 0.00 0.61 -3.72 0.00 0.00 177.10 172.64 1fy5 n GLY 219 N 5.31 0.85 2.78 1.21 0.00 -1.26 -4.67 105.19 109.42 1fy5 n GLY 219 Ca -0.05 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 1fy5 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fy5 n ALA 221 N 4.39 -0.28 -1.79 0.00 0.00 -1.26 -4.73 120.51 116.84 1fy5 n ALA 221 Ca -0.22 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 1fy5 n ALA 221 Cb 0.50 -1.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 1fy5 n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fy5 s ARG 221 N -3.71 4.48 0.45 0.00 0.52 -1.26 -0.93 118.95 118.50 1fy5 s ARG 221 Ca 0.00 1.34 -0.25 0.00 -0.52 0.00 0.00 55.73 56.29 1fy5 s ARG 221 Cb 0.00 -2.69 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 1fy5 s ARG 221 CO 0.00 0.18 1.40 -0.35 0.02 0.00 0.00 175.30 176.55 1fy5 n PRO 222 N 0.33 2.17 -1.51 3.54 -0.04 -1.26 -2.66 135.00 135.57 1fy5 n PRO 222 Ca 0.03 0.77 -0.17 0.00 -0.04 0.00 0.00 63.50 64.09 1fy5 n PRO 222 Cb 0.50 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 1fy5 n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1fy5 n ASN 223 N -0.13 -5.47 -3.57 3.54 3.02 -0.36 -4.93 115.26 107.36 1fy5 n ASN 223 Ca 0.06 0.43 -0.29 0.00 -0.03 0.00 0.00 54.58 54.75 1fy5 n ASN 223 Cb 0.41 -4.50 -0.14 0.00 -0.61 0.00 0.00 39.78 34.94 1fy5 n ASN 223 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1fy5 s TYR 224 N -2.53 0.91 0.75 3.10 2.02 -1.09 -4.79 117.35 115.73 1fy5 s TYR 224 Ca 0.00 -1.48 -0.14 0.00 -0.37 0.00 0.00 57.07 55.09 1fy5 s TYR 224 Cb 0.00 -1.18 0.05 0.00 -0.40 0.00 0.00 41.96 40.44 1fy5 s TYR 224 CO 0.00 -0.83 1.17 -1.12 -1.57 0.00 0.00 175.55 173.20 1fy5 s SER 225 N 1.45 4.15 0.41 2.29 0.01 -1.26 -4.34 113.70 116.41 1fy5 s SER 225 Ca 0.13 2.22 -0.24 0.00 1.31 0.00 0.00 55.95 59.37 1fy5 s SER 225 Cb -0.20 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 1fy5 s SER 225 CO -0.17 -2.29 1.10 -0.83 0.41 0.00 0.00 173.24 171.46 1fy5 s GLY 226 N -2.35 2.78 -0.08 3.44 0.00 -0.33 -4.60 107.32 106.17 1fy5 s GLY 226 Ca 0.71 0.81 0.03 0.00 0.00 0.00 0.00 44.72 46.27 1fy5 s GLY 226 CO 0.48 1.27 -0.16 0.14 0.00 0.00 0.00 173.10 174.83 1fy5 s VAL 227 N -1.57 2.83 0.02 1.40 1.01 0.11 -1.29 120.40 122.91 1fy5 s VAL 227 Ca 0.59 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1fy5 s VAL 227 Cb -0.26 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1fy5 s VAL 227 CO 0.32 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.47 1fy5 s TYR 228 N -0.16 1.73 0.06 5.22 1.51 0.34 -1.70 117.35 124.35 1fy5 s TYR 228 Ca -0.01 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 1fy5 s TYR 228 Cb -0.14 -1.07 -0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1fy5 s TYR 228 CO 0.03 0.04 1.13 0.00 -1.11 0.00 0.00 175.55 175.64 1fy5 s ALA 229 N -0.65 3.32 -0.30 3.71 0.00 -0.42 -1.25 121.76 126.17 1fy5 s ALA 229 Ca 0.07 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 1fy5 s ALA 229 Cb -0.08 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1fy5 s ALA 229 CO 0.01 -0.35 0.76 0.45 0.00 0.00 0.00 175.76 176.62 1fy5 s SER 230 N 0.93 6.64 0.17 0.00 0.15 -0.42 -1.96 113.70 119.21 1fy5 s SER 230 Ca 0.56 0.65 -0.13 0.00 0.70 0.00 0.00 55.95 57.72 1fy5 s SER 230 Cb -0.27 -2.39 0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1fy5 s SER 230 CO 0.29 -0.58 1.80 0.58 1.20 0.00 0.00 173.24 176.53 1fy5 h VAL 231 N 5.57 1.18 -0.87 4.45 2.07 -1.51 -2.26 116.25 124.88 1fy5 h VAL 231 Ca -0.25 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 66.95 1fy5 h VAL 231 Cb 1.10 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1fy5 h VAL 231 CO 0.86 0.19 0.51 1.23 0.02 0.00 0.00 177.57 180.38 1fy5 h GLY 232 N 0.77 1.38 2.00 2.17 0.00 -1.77 -0.43 103.07 107.18 1fy5 h GLY 232 Ca 0.20 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1fy5 h GLY 232 CO -0.04 0.12 -0.34 0.00 0.00 0.00 0.00 176.54 176.29 1fy5 h ALA 233 N 1.49 0.92 -0.10 3.60 0.00 -1.65 -3.02 119.26 120.49 1fy5 h ALA 233 Ca 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1fy5 h ALA 233 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fy5 h ALA 233 CO -0.26 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.69 1fy5 n LEU 234 N -3.38 2.86 0.04 0.00 4.77 -0.82 -4.69 117.00 115.78 1fy5 n LEU 234 Ca 0.01 -2.96 -0.01 0.00 -0.03 0.00 0.00 56.01 53.01 1fy5 n LEU 234 Cb 0.54 -0.44 0.26 0.00 -2.33 0.00 0.00 43.42 41.45 1fy5 n LEU 234 CO 0.36 0.69 0.80 -0.09 -1.33 0.00 0.00 177.39 177.81 1fy5 h ARG 235 N 0.67 0.41 -0.74 3.23 9.65 -1.15 -2.66 114.38 123.78 1fy5 h ARG 235 Ca 0.00 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 1fy5 h ARG 235 Cb 1.11 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 1fy5 h ARG 235 CO 0.07 0.60 0.24 0.77 2.80 0.00 0.00 179.97 184.45 1fy5 h SER 236 N 0.38 1.08 -0.05 -3.80 0.02 -1.87 0.29 113.55 109.60 1fy5 h SER 236 Ca 0.06 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1fy5 h SER 236 Cb 0.56 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1fy5 h SER 236 CO 0.04 1.00 -0.01 0.15 -1.14 0.00 0.00 176.83 176.87 1fy5 h PHE 237 N 1.10 -0.01 -0.24 3.45 3.57 -1.86 -1.79 116.94 121.16 1fy5 h PHE 237 Ca 0.24 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.79 1fy5 h PHE 237 Cb 0.30 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1fy5 h PHE 237 CO 0.02 -0.01 -0.06 0.82 -2.23 0.00 0.00 178.31 176.85 1fy5 h ILE 238 N 0.01 0.76 -0.04 1.41 2.04 -1.14 -2.55 117.51 118.00 1fy5 h ILE 238 Ca 0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1fy5 h ILE 238 Cb 0.03 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1fy5 h ILE 238 CO -0.05 0.00 -0.27 0.44 0.00 0.00 0.00 178.15 178.27 1fy5 h ASP 239 N -0.00 0.07 -0.74 1.72 3.32 -0.81 0.11 116.42 120.09 1fy5 h ASP 239 Ca 0.12 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1fy5 h ASP 239 Cb 0.18 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1fy5 h ASP 239 CO -0.25 0.34 0.33 0.74 -1.72 0.00 0.00 179.24 178.68 1fy5 h THR 240 N 0.06 1.25 0.00 0.35 2.02 -0.90 -3.34 112.91 112.35 1fy5 h THR 240 Ca 0.01 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1fy5 h THR 240 Cb 0.51 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1fy5 h THR 240 CO 0.04 0.30 -1.05 -1.22 0.37 0.00 0.00 175.52 173.96 1fy5 n TYR 241 N -4.37 0.00 0.42 3.16 4.01 -1.03 -5.12 117.16 114.23 1fy5 n TYR 241 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.84 1fy5 n TYR 241 Cb 0.15 -0.14 0.20 0.00 -0.31 0.00 0.00 39.34 39.25 1fy5 n TYR 241 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40