#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy4 s SER 5 N 0.00 6.56 0.37 1.61 0.15 -1.26 -4.83 113.70 116.30 3fy4 s SER 5 Ca 0.00 2.53 0.08 0.00 0.70 0.00 0.00 55.95 59.26 3fy4 s SER 5 Cb 0.00 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 3fy4 s SER 5 CO 0.00 -0.93 0.09 -0.83 1.20 0.00 0.00 173.24 172.77 3fy4 s GLY 6 N 2.80 2.19 0.18 9.45 0.00 -0.46 -3.88 107.32 117.60 3fy4 s GLY 6 Ca 0.77 -2.03 0.07 0.00 0.00 0.00 0.00 44.72 43.52 3fy4 s GLY 6 CO 0.34 -1.91 -0.13 -1.35 0.00 0.00 0.00 173.10 170.05 3fy4 s SER 7 N -3.80 2.31 -0.06 1.64 1.04 -0.96 -0.69 113.70 113.17 3fy4 s SER 7 Ca 0.37 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 3fy4 s SER 7 Cb 0.02 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3fy4 s SER 7 CO 0.21 -0.20 0.01 -0.22 0.98 0.00 0.00 173.24 174.01 3fy4 s LEU 8 N -3.15 0.61 -0.43 2.42 0.20 0.12 -0.53 118.68 117.92 3fy4 s LEU 8 Ca 0.19 -0.06 -0.12 0.00 0.69 0.00 0.00 54.13 54.83 3fy4 s LEU 8 Cb -0.01 -0.38 0.06 0.00 -0.43 0.00 0.00 46.19 45.43 3fy4 s LEU 8 CO 0.05 -0.19 0.30 -0.51 -0.29 0.00 0.00 176.35 175.71 3fy4 s ILE 9 N 1.87 4.76 -0.29 6.68 1.10 0.12 -0.14 121.20 135.29 3fy4 s ILE 9 Ca 0.03 -1.10 -0.22 0.00 -0.51 0.00 0.00 60.65 58.84 3fy4 s ILE 9 Cb -0.12 -3.81 -0.01 0.00 0.15 0.00 0.00 42.46 38.67 3fy4 s ILE 9 CO -0.04 -0.46 0.73 0.86 -2.11 0.00 0.00 174.94 173.92 3fy4 s TRP 10 N 1.55 3.23 -0.14 3.50 -0.00 0.42 -1.52 118.94 125.98 3fy4 s TRP 10 Ca 0.03 0.80 -0.13 0.00 -0.00 0.00 0.00 56.10 56.80 3fy4 s TRP 10 Cb -0.22 -3.09 -0.05 0.00 -0.00 0.00 0.00 33.47 30.11 3fy4 s TRP 10 CO 0.05 -0.49 0.29 -0.06 -0.00 0.00 0.00 176.95 176.75 3fy4 s PHE 11 N 2.79 3.50 0.07 5.86 0.40 0.61 -4.21 117.98 127.00 3fy4 s PHE 11 Ca 0.30 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.26 3fy4 s PHE 11 Cb -0.15 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.08 3fy4 s PHE 11 CO 0.11 0.32 0.00 0.54 0.70 0.00 0.00 175.22 176.89 3fy4 n ARG 12 N 3.26 0.00 -0.02 0.44 3.00 -1.26 -4.47 116.66 117.61 3fy4 n ARG 12 Ca -0.13 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.72 3fy4 n ARG 12 Cb 0.52 -0.04 -0.07 0.00 0.00 0.00 0.00 32.46 32.87 3fy4 n ARG 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3fy4 n LYS 13 N -2.79 1.31 -1.30 5.56 5.02 -1.26 -4.70 118.16 120.00 3fy4 n LYS 13 Ca 0.00 -0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 3fy4 n LYS 13 Cb 0.00 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3fy4 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fy4 n GLY 14 N 2.20 3.83 3.17 0.72 0.00 -1.26 -1.66 105.19 112.18 3fy4 n GLY 14 Ca -0.07 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3fy4 n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fy4 n LEU 15 N 2.19 1.85 -3.49 0.99 4.77 -1.06 -4.71 117.00 117.54 3fy4 n LEU 15 Ca 0.53 -1.82 -0.10 0.00 -0.03 0.00 0.00 56.01 54.59 3fy4 n LEU 15 Cb 0.62 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3fy4 n LEU 15 CO 0.37 -1.14 0.48 0.00 -1.33 0.00 0.00 177.39 175.78 3fy4 s ARG 16 N 5.61 1.21 -0.17 3.23 1.70 -1.25 -4.09 118.95 125.20 3fy4 s ARG 16 Ca 0.44 -0.48 0.04 0.00 -0.47 0.00 0.00 55.73 55.26 3fy4 s ARG 16 Cb 0.10 0.54 -0.22 0.00 -0.57 0.00 0.00 34.95 34.79 3fy4 s ARG 16 CO 0.16 -0.54 0.17 0.28 -1.08 0.00 0.00 175.30 174.30 3fy4 n VAL 17 N -0.36 1.59 -1.66 4.99 0.31 -1.26 -4.82 118.33 117.12 3fy4 n VAL 17 Ca -0.14 -0.69 -0.33 0.00 -0.01 0.00 0.00 64.34 63.18 3fy4 n VAL 17 Cb 0.64 -1.27 0.06 0.00 -0.91 0.00 0.00 33.84 32.35 3fy4 n VAL 17 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3fy4 s HIS 18 N -2.54 2.63 -0.93 3.52 -3.43 -1.26 -3.81 115.29 109.46 3fy4 s HIS 18 Ca -0.21 1.55 -0.24 0.00 -0.80 0.00 0.00 55.06 55.36 3fy4 s HIS 18 Cb 0.07 -3.14 0.03 0.00 -1.43 0.00 0.00 32.58 28.12 3fy4 s HIS 18 CO 0.74 -1.69 0.45 -3.47 -2.00 0.00 0.00 174.74 168.76 3fy4 n ASP 19 N -2.65 -2.60 -3.85 7.38 4.64 0.11 -4.85 116.55 114.73 3fy4 n ASP 19 Ca 0.10 -0.98 -0.28 0.00 -1.38 0.00 0.00 54.79 52.26 3fy4 n ASP 19 Cb 0.52 -1.17 -0.12 0.00 -1.04 0.00 0.00 41.12 39.31 3fy4 n ASP 19 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3fy4 n ASN 20 N -1.42 2.98 -0.31 1.67 2.85 -1.25 -4.94 115.26 114.85 3fy4 n ASN 20 Ca -0.10 -3.21 0.32 0.00 -0.11 0.00 0.00 54.58 51.48 3fy4 n ASN 20 Cb 0.43 -0.75 0.69 0.00 1.24 0.00 0.00 39.78 41.39 3fy4 n ASN 20 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fy4 h PRO 21 N 5.30 0.10 -0.05 1.20 0.11 -1.93 0.72 132.00 137.44 3fy4 h PRO 21 Ca 0.16 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 3fy4 h PRO 21 Cb 0.75 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3fy4 h PRO 21 CO 0.72 0.06 -0.27 0.00 -0.21 0.00 0.00 178.00 178.30 3fy4 h ALA 22 N 1.48 0.10 -0.63 -0.75 0.00 -1.92 -2.99 119.26 114.55 3fy4 h ALA 22 Ca 0.56 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3fy4 h ALA 22 Cb 2.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 3fy4 h ALA 22 CO -0.09 0.13 0.07 1.25 0.00 0.00 0.00 179.25 180.61 3fy4 h LEU 23 N -0.26 1.02 0.17 0.00 5.85 -1.36 -2.31 115.31 118.42 3fy4 h LEU 23 Ca -0.02 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3fy4 h LEU 23 Cb 0.93 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3fy4 h LEU 23 CO 0.06 1.03 -0.26 -0.08 -0.34 0.00 0.00 178.44 178.85 3fy4 h GLU 24 N 0.98 -0.47 -0.95 1.25 4.81 -1.02 -2.09 114.58 117.09 3fy4 h GLU 24 Ca 0.19 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3fy4 h GLU 24 Cb 0.47 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 3fy4 h GLU 24 CO 0.02 -0.31 0.62 -0.92 -0.73 0.00 0.00 179.01 177.68 3fy4 h TYR 25 N -0.49 1.12 0.00 0.92 -0.00 -1.45 -1.19 116.97 115.88 3fy4 h TYR 25 Ca 0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.78 3fy4 h TYR 25 Cb 0.49 -0.37 -0.00 0.00 -0.00 0.00 0.00 36.73 36.85 3fy4 h TYR 25 CO -0.21 0.59 -0.00 0.00 -0.00 0.00 0.00 178.16 178.54 3fy4 h ALA 26 N 1.48 1.00 0.00 1.82 0.00 -0.86 -2.77 119.26 119.93 3fy4 h ALA 26 Ca 0.40 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 3fy4 h ALA 26 Cb 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3fy4 h ALA 26 CO -0.15 0.00 -1.38 0.77 0.00 0.00 0.00 179.25 178.49 3fy4 h SER 27 N 0.00 0.00 -3.62 0.00 0.02 -0.57 -3.44 113.55 105.94 3fy4 h SER 27 Ca -0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3fy4 h SER 27 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3fy4 h SER 27 CO 0.00 0.78 0.17 -0.54 -1.14 0.00 0.00 176.83 176.10 3fy4 s LYS 28 N -2.78 4.39 -1.52 3.45 1.02 -1.05 -4.08 119.74 119.18 3fy4 s LYS 28 Ca -0.02 1.03 -0.06 0.00 0.02 0.00 0.00 55.97 56.94 3fy4 s LYS 28 Cb 0.08 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 3fy4 s LYS 28 CO 0.81 0.42 0.63 0.41 -0.92 0.00 0.00 175.35 176.70 3fy4 n GLY 29 N 0.91 -0.52 2.90 -3.33 0.00 -1.26 -4.97 105.19 98.92 3fy4 n GLY 29 Ca -0.02 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3fy4 n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fy4 s SER 30 N -2.74 0.48 0.40 1.61 0.01 -1.26 -4.93 113.70 107.27 3fy4 s SER 30 Ca 0.33 0.41 0.28 0.00 1.31 0.00 0.00 55.95 58.28 3fy4 s SER 30 Cb -0.15 0.38 1.08 0.00 0.21 0.00 0.00 66.02 67.54 3fy4 s SER 30 CO 0.41 -0.23 1.83 1.05 0.41 0.00 0.00 173.24 176.72 3fy4 h GLU 31 N 8.13 0.00 -2.73 12.44 4.11 -1.92 -3.45 114.58 131.16 3fy4 h GLU 31 Ca -0.19 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.13 3fy4 h GLU 31 Cb 1.12 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.15 3fy4 h GLU 31 CO 0.19 0.00 -0.20 -0.59 0.07 0.00 0.00 179.01 178.48 3fy4 s PHE 32 N -3.44 -0.41 -0.02 2.06 -0.00 -1.26 -4.11 117.98 110.80 3fy4 s PHE 32 Ca 0.04 0.91 0.03 0.00 -0.00 0.00 0.00 56.93 57.91 3fy4 s PHE 32 Cb 0.09 0.16 -0.00 0.00 -0.00 0.00 0.00 43.02 43.27 3fy4 s PHE 32 CO 0.50 -0.30 -0.11 1.41 -0.00 0.00 0.00 175.22 176.72 3fy4 s MET 33 N -0.31 0.99 -0.39 1.99 1.75 0.15 -2.27 119.30 121.21 3fy4 s MET 33 Ca -0.05 -0.37 -0.07 0.00 -1.25 0.00 0.00 55.69 53.95 3fy4 s MET 33 Cb -0.03 -0.94 0.07 0.00 2.84 0.00 0.00 34.83 36.77 3fy4 s MET 33 CO 0.02 0.19 0.20 0.71 -0.65 0.00 0.00 175.02 175.49 3fy4 s TYR 34 N -0.05 3.35 -0.25 4.11 1.51 0.31 -3.80 117.35 122.54 3fy4 s TYR 34 Ca 0.01 -1.67 -0.22 0.00 -1.01 0.00 0.00 57.07 54.18 3fy4 s TYR 34 Cb -0.07 -2.79 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 3fy4 s TYR 34 CO 0.00 -0.84 0.73 -2.14 -1.11 0.00 0.00 175.55 172.19 3fy4 s PRO 35 N 1.36 4.15 0.08 -1.71 0.02 -1.26 -0.71 135.00 136.93 3fy4 s PRO 35 Ca 0.02 0.75 0.07 0.00 0.02 0.00 0.00 61.00 61.86 3fy4 s PRO 35 Cb -0.22 -3.65 -0.03 0.00 0.02 0.00 0.00 34.50 30.62 3fy4 s PRO 35 CO 0.01 -0.47 -0.20 0.08 -0.33 0.00 0.00 177.00 176.10 3fy4 s VAL 36 N 2.67 1.59 -0.13 3.83 1.01 -0.58 -0.75 120.40 128.05 3fy4 s VAL 36 Ca 0.30 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 3fy4 s VAL 36 Cb -0.15 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.84 3fy4 s VAL 36 CO 0.08 0.01 0.31 0.12 0.00 0.00 0.00 175.10 175.62 3fy4 s PHE 37 N -1.03 -0.41 -0.17 5.22 5.36 -0.60 -0.29 117.98 126.07 3fy4 s PHE 37 Ca 0.06 0.94 -0.04 0.00 -0.96 0.00 0.00 56.93 56.92 3fy4 s PHE 37 Cb -0.09 0.13 -0.03 0.00 -0.34 0.00 0.00 43.02 42.69 3fy4 s PHE 37 CO 0.03 -0.24 -0.03 0.08 -1.46 0.00 0.00 175.22 173.60 3fy4 s VAL 38 N 0.97 3.88 -0.41 3.12 1.01 -1.26 -1.70 120.40 126.01 3fy4 s VAL 38 Ca -0.07 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 3fy4 s VAL 38 Cb -0.07 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3fy4 s VAL 38 CO -0.07 0.47 0.80 -0.63 0.00 0.00 0.00 175.10 175.67 3fy4 s ILE 39 N 0.64 4.67 -0.51 2.22 -1.09 0.15 -4.93 121.20 122.34 3fy4 s ILE 39 Ca -0.02 0.68 -0.25 0.00 -2.23 0.00 0.00 60.65 58.83 3fy4 s ILE 39 Cb -0.14 -4.28 0.03 0.00 -1.58 0.00 0.00 42.46 36.49 3fy4 s ILE 39 CO 0.02 -0.60 0.95 -0.62 -1.23 0.00 0.00 174.94 173.47 3fy4 s ASP 40 N 2.01 6.42 0.28 3.58 -1.08 -1.26 -1.06 116.67 125.56 3fy4 s ASP 40 Ca 0.31 -0.12 -0.03 0.00 -0.52 0.00 0.00 52.55 52.20 3fy4 s ASP 40 Cb -0.12 -2.45 0.60 0.00 -1.46 0.00 0.00 42.92 39.49 3fy4 s ASP 40 CO 0.20 -1.17 1.59 -0.65 0.52 0.00 0.00 175.17 175.67 3fy4 h PRO 41 N 9.23 0.04 -0.60 4.34 0.11 -1.95 0.28 132.00 143.46 3fy4 h PRO 41 Ca -0.25 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.02 3fy4 h PRO 41 Cb 1.07 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3fy4 h PRO 41 CO 1.07 0.03 0.42 1.25 -0.21 0.00 0.00 178.00 180.56 3fy4 h HIS 42 N 0.04 0.09 0.00 0.65 -0.00 -1.92 0.47 115.15 114.48 3fy4 h HIS 42 Ca 0.52 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.64 3fy4 h HIS 42 Cb 0.98 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.32 3fy4 h HIS 42 CO -0.52 0.03 -2.23 0.66 -0.00 0.00 0.00 177.93 175.88 3fy4 n TYR 43 N -4.39 0.04 -0.11 5.26 4.01 0.83 -4.48 117.16 118.33 3fy4 n TYR 43 Ca 0.11 0.01 -0.12 0.00 -0.16 0.00 0.00 57.90 57.75 3fy4 n TYR 43 Cb 0.62 -0.85 -0.15 0.00 -0.31 0.00 0.00 39.34 38.65 3fy4 n TYR 43 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3fy4 n MET 44 N -2.61 0.68 -2.64 -0.72 2.81 -0.27 -4.37 117.12 110.01 3fy4 n MET 44 Ca -0.23 0.03 -0.36 0.00 -1.81 0.00 0.00 57.70 55.33 3fy4 n MET 44 Cb 0.97 -1.52 -0.05 0.00 -0.71 0.00 0.00 33.22 31.90 3fy4 n MET 44 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3fy4 s GLU 45 N -2.50 4.31 0.27 0.03 2.02 0.12 -4.67 118.70 118.27 3fy4 s GLU 45 Ca -0.16 1.42 -0.29 0.00 0.02 0.00 0.00 54.97 55.96 3fy4 s GLU 45 Cb 0.07 -2.60 -0.14 0.00 0.10 0.00 0.00 34.13 31.56 3fy4 s GLU 45 CO 0.77 0.00 1.10 0.45 0.02 0.00 0.00 175.26 177.60 3fy4 n SER 46 N 0.08 1.58 -3.83 -0.19 2.88 -0.79 -4.01 113.62 109.35 3fy4 n SER 46 Ca 0.04 1.17 -0.30 0.00 -1.33 0.00 0.00 58.87 58.45 3fy4 n SER 46 Cb 0.50 -1.31 -0.15 0.00 -0.75 0.00 0.00 64.21 62.50 3fy4 n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3fy4 s ASP 47 N -0.36 4.28 0.63 -3.46 2.15 0.46 -4.89 116.67 115.48 3fy4 s ASP 47 Ca 0.62 -1.81 0.30 0.00 0.43 0.00 0.00 52.55 52.08 3fy4 s ASP 47 Cb -0.71 -1.12 1.61 0.00 -0.30 0.00 0.00 42.92 42.40 3fy4 s ASP 47 CO 0.58 -0.40 1.96 -0.65 -0.17 0.00 0.00 175.17 176.48 3fy4 h PRO 48 N 7.93 0.00 0.00 4.34 0.11 -1.95 0.24 132.00 142.67 3fy4 h PRO 48 Ca -0.10 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 3fy4 h PRO 48 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3fy4 h PRO 48 CO 0.49 0.00 -0.31 0.77 -0.21 0.00 0.00 178.00 178.74 3fy4 h SER 49 N 0.00 0.00 -3.86 -2.05 0.02 -1.94 -3.46 113.55 102.26 3fy4 h SER 49 Ca 0.09 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.49 3fy4 h SER 49 Cb 0.79 0.00 0.18 0.00 0.14 0.00 0.00 62.40 63.51 3fy4 h SER 49 CO -0.00 0.31 0.11 0.00 -1.14 0.00 0.00 176.83 176.11 3fy4 n ALA 50 N -2.20 -0.36 1.07 3.77 0.00 0.07 -4.89 120.51 117.97 3fy4 n ALA 50 Ca 0.02 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.33 3fy4 n ALA 50 Cb 0.59 -2.13 0.62 0.00 0.00 0.00 0.00 19.45 18.54 3fy4 n ALA 50 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fy4 n PHE 51 N -2.80 0.00 -3.57 0.00 3.72 -1.26 -4.80 117.46 108.74 3fy4 n PHE 51 Ca 0.13 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.36 3fy4 n PHE 51 Cb 0.50 -0.42 -0.07 0.00 -0.94 0.00 0.00 39.48 38.55 3fy4 n PHE 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3fy4 s SER 52 N -2.85 -0.57 0.07 4.37 1.04 -1.26 -5.13 113.70 109.37 3fy4 s SER 52 Ca 0.18 0.63 -0.31 0.00 0.48 0.00 0.00 55.95 56.92 3fy4 s SER 52 Cb 0.18 0.54 -0.16 0.00 0.10 0.00 0.00 66.02 66.67 3fy4 s SER 52 CO 0.47 -0.56 0.75 -2.65 0.98 0.00 0.00 173.24 172.23 3fy4 n PRO 53 N 1.08 0.00 0.00 4.02 -0.02 -1.26 -4.79 135.00 134.03 3fy4 n PRO 53 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3fy4 n PRO 53 Cb 0.57 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 3fy4 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fy4 n GLY 54 N 1.48 0.98 0.00 -1.23 0.00 -1.26 -0.86 105.19 104.30 3fy4 n GLY 54 Ca 0.17 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3fy4 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fy4 n SER 55 N 1.81 0.00 0.05 1.61 3.41 0.35 -0.40 113.62 120.45 3fy4 n SER 55 Ca 0.00 -0.40 0.12 0.00 -0.26 0.00 0.00 58.87 58.33 3fy4 n SER 55 Cb 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 3fy4 n SER 55 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fy4 n SER 56 N -1.20 0.63 -0.00 4.04 3.41 -1.26 -4.05 113.62 115.18 3fy4 n SER 56 Ca 0.00 0.19 0.02 0.00 -0.26 0.00 0.00 58.87 58.82 3fy4 n SER 56 Cb 0.00 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3fy4 n SER 56 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fy4 n ARG 57 N -1.99 2.41 -3.78 4.33 5.12 -1.26 -4.97 116.66 116.51 3fy4 n ARG 57 Ca 0.04 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.79 3fy4 n ARG 57 Cb 0.41 -0.91 -0.16 0.00 -1.16 0.00 0.00 32.46 30.64 3fy4 n ARG 57 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fy4 s ALA 58 N -1.87 0.10 0.75 7.54 0.00 -1.26 -3.77 121.76 123.25 3fy4 s ALA 58 Ca -0.00 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 3fy4 s ALA 58 Cb 0.02 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.94 3fy4 s ALA 58 CO 0.14 -0.11 1.11 0.20 0.00 0.00 0.00 175.76 177.11 3fy4 s GLY 59 N 1.07 1.90 0.60 0.00 0.00 0.39 -0.50 107.32 110.78 3fy4 s GLY 59 Ca -0.09 0.45 0.31 0.00 0.00 0.00 0.00 44.72 45.39 3fy4 s GLY 59 CO -0.03 0.82 2.18 -0.24 0.00 0.00 0.00 173.10 175.82 3fy4 h VAL 60 N -0.75 0.42 0.25 1.40 3.04 -1.29 -2.74 116.25 116.58 3fy4 h VAL 60 Ca -0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 3fy4 h VAL 60 Cb 1.25 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3fy4 h VAL 60 CO 0.51 0.00 -0.12 0.78 -1.01 0.00 0.00 177.57 177.73 3fy4 h ASN 61 N 0.00 -0.29 0.31 3.17 2.35 -1.90 -0.68 115.58 118.55 3fy4 h ASN 61 Ca 0.04 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3fy4 h ASN 61 Cb 0.27 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3fy4 h ASN 61 CO -0.00 -0.03 -0.23 -0.09 -1.65 0.00 0.00 177.43 175.43 3fy4 h ARG 62 N -0.54 0.00 -0.12 0.81 2.43 -1.78 -1.81 114.38 113.36 3fy4 h ARG 62 Ca -0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3fy4 h ARG 62 Cb 0.40 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3fy4 h ARG 62 CO 0.06 0.23 -0.04 0.82 -1.51 0.00 0.00 179.97 179.52 3fy4 h ILE 63 N 0.00 1.30 -0.76 1.20 2.04 -1.30 -1.50 117.51 118.49 3fy4 h ILE 63 Ca -0.00 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.84 3fy4 h ILE 63 Cb 0.44 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3fy4 h ILE 63 CO 0.03 0.29 0.50 -0.09 0.00 0.00 0.00 178.15 178.89 3fy4 h ARG 64 N -0.09 1.00 -0.16 2.37 2.43 -0.70 -0.93 114.38 118.30 3fy4 h ARG 64 Ca 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fy4 h ARG 64 Cb 0.48 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3fy4 h ARG 64 CO 0.01 0.66 0.10 0.35 -1.51 0.00 0.00 179.97 179.59 3fy4 h PHE 65 N 1.03 0.20 -0.17 2.20 3.57 -1.13 -0.83 116.94 121.81 3fy4 h PHE 65 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3fy4 h PHE 65 Cb -0.12 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3fy4 h PHE 65 CO -0.00 0.14 0.11 1.25 -2.23 0.00 0.00 178.31 177.58 3fy4 h LEU 66 N 0.20 0.19 -0.83 0.59 5.85 -0.60 0.31 115.31 121.03 3fy4 h LEU 66 Ca 0.06 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3fy4 h LEU 66 Cb -0.01 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3fy4 h LEU 66 CO -0.01 0.16 0.50 -0.07 -0.34 0.00 0.00 178.44 178.68 3fy4 h LEU 67 N 0.21 0.77 -0.18 2.25 3.38 -1.04 0.13 115.31 120.84 3fy4 h LEU 67 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fy4 h LEU 67 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3fy4 h LEU 67 CO -0.01 0.48 0.06 -0.33 0.09 0.00 0.00 178.44 178.73 3fy4 h GLU 68 N 0.90 0.27 -0.91 1.13 5.08 -0.73 -0.90 114.58 119.43 3fy4 h GLU 68 Ca 0.37 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.77 3fy4 h GLU 68 Cb 0.21 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3fy4 h GLU 68 CO -0.19 0.37 0.55 0.77 -1.00 0.00 0.00 179.01 179.51 3fy4 h SER 69 N 0.12 0.82 -0.33 1.42 0.02 0.04 -0.51 113.55 115.12 3fy4 h SER 69 Ca 0.06 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3fy4 h SER 69 Cb 0.21 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3fy4 h SER 69 CO -0.00 0.47 0.12 -0.07 -1.14 0.00 0.00 176.83 176.20 3fy4 h LEU 70 N 0.92 0.47 -0.26 5.07 4.07 -0.37 -0.94 115.31 124.27 3fy4 h LEU 70 Ca 0.43 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 3fy4 h LEU 70 Cb 0.36 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3fy4 h LEU 70 CO -0.24 0.53 0.14 0.11 -1.08 0.00 0.00 178.44 177.91 3fy4 h LYS 71 N 0.39 0.37 -0.08 1.13 1.57 -0.43 -0.68 116.57 118.82 3fy4 h LYS 71 Ca 0.11 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3fy4 h LYS 71 Cb 0.22 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3fy4 h LYS 71 CO -0.01 0.33 -0.17 0.22 -0.57 0.00 0.00 179.45 179.25 3fy4 h ASP 72 N 0.31 -0.53 -0.40 0.86 3.58 -1.00 -0.07 116.42 119.17 3fy4 h ASP 72 Ca 0.09 0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.69 3fy4 h ASP 72 Cb 0.07 0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 3fy4 h ASP 72 CO -0.01 -0.23 0.08 0.25 -2.88 0.00 0.00 179.24 176.45 3fy4 h LEU 73 N -0.24 0.01 -0.21 2.28 5.85 -0.90 0.25 115.31 122.35 3fy4 h LEU 73 Ca 0.08 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3fy4 h LEU 73 Cb 0.36 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3fy4 h LEU 73 CO -0.23 0.04 0.13 -0.78 -0.34 0.00 0.00 178.44 177.26 3fy4 h ASP 74 N 0.21 0.24 -0.27 1.25 1.82 -0.82 -0.61 116.42 118.24 3fy4 h ASP 74 Ca 0.19 -0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.86 3fy4 h ASP 74 Cb 0.23 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.12 3fy4 h ASP 74 CO -0.25 0.21 -0.10 -1.28 -1.61 0.00 0.00 179.24 176.21 3fy4 h SER 75 N 0.26 -0.33 0.04 2.28 0.87 -0.40 1.11 113.55 117.37 3fy4 h SER 75 Ca 0.07 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3fy4 h SER 75 Cb 0.00 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3fy4 h SER 75 CO -0.01 -0.12 -0.02 0.28 -0.53 0.00 0.00 176.83 176.42 3fy4 h SER 76 N -0.04 0.00 0.19 6.23 0.02 -0.06 -1.31 113.55 118.57 3fy4 h SER 76 Ca 0.13 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.77 3fy4 h SER 76 Cb 0.25 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.81 3fy4 h SER 76 CO -0.30 0.02 -1.48 -0.07 -1.14 0.00 0.00 176.83 173.86 3fy4 h LEU 77 N 0.00 0.62 -1.06 5.07 3.38 0.79 -3.20 115.31 120.91 3fy4 h LEU 77 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3fy4 h LEU 77 Cb 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3fy4 h LEU 77 CO 0.00 1.68 0.00 0.29 0.09 0.00 0.00 178.44 180.50 3fy4 n LYS 78 N -3.77 0.13 -0.05 1.13 5.02 0.36 -0.03 118.16 120.95 3fy4 n LYS 78 Ca -0.21 0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 56.49 3fy4 n LYS 78 Cb 1.01 -1.87 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 3fy4 n LYS 78 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3fy4 h LYS 79 N 0.00 0.05 -0.30 1.97 1.63 -1.27 -3.27 116.57 115.38 3fy4 h LYS 79 Ca 0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 3fy4 h LYS 79 Cb 0.08 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3fy4 h LYS 79 CO 0.00 1.02 0.00 1.28 -3.45 0.00 0.00 179.45 178.30 3fy4 n LEU 80 N -4.54 0.30 0.00 5.20 4.77 -0.55 -4.78 117.00 117.41 3fy4 n LEU 80 Ca -0.11 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3fy4 n LEU 80 Cb 0.53 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3fy4 n LEU 80 CO 0.36 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3fy4 n GLY 81 N 0.23 0.73 0.00 -0.72 0.00 -1.05 -2.38 105.19 101.99 3fy4 n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fy4 n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fy4 n SER 82 N 0.00 0.08 -3.61 1.61 2.88 0.96 -4.55 113.62 110.99 3fy4 n SER 82 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3fy4 n SER 82 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3fy4 n SER 82 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3fy4 s ARG 83 N 3.39 0.25 -0.18 -1.46 3.52 -1.26 -3.34 118.95 119.89 3fy4 s ARG 83 Ca 0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 55.45 3fy4 s ARG 83 Cb 0.00 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.47 3fy4 s ARG 83 CO 0.00 -0.11 0.01 -1.17 -0.81 0.00 0.00 175.30 173.22 3fy4 s LEU 84 N -2.18 3.46 -0.33 -0.88 2.96 -1.26 -4.34 118.68 116.10 3fy4 s LEU 84 Ca 0.10 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.83 3fy4 s LEU 84 Cb -0.01 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3fy4 s LEU 84 CO -0.04 0.14 0.18 -0.76 -1.32 0.00 0.00 176.35 174.56 3fy4 s LEU 85 N 0.53 4.35 -0.23 -0.68 1.43 0.07 -4.88 118.68 119.28 3fy4 s LEU 85 Ca -0.00 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 3fy4 s LEU 85 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3fy4 s LEU 85 CO 0.02 -0.25 0.04 -0.69 0.23 0.00 0.00 176.35 175.70 3fy4 s VAL 86 N 1.62 4.22 0.27 -1.59 1.01 -0.86 -1.55 120.40 123.51 3fy4 s VAL 86 Ca 0.04 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3fy4 s VAL 86 Cb -0.18 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3fy4 s VAL 86 CO 0.07 0.38 0.02 -0.36 0.00 0.00 0.00 175.10 175.21 3fy4 s PHE 87 N 1.29 2.74 -0.12 5.22 0.40 -0.69 -3.15 117.98 123.66 3fy4 s PHE 87 Ca 0.04 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 3fy4 s PHE 87 Cb -0.15 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.15 3fy4 s PHE 87 CO 0.03 0.60 -0.23 0.15 0.70 0.00 0.00 175.22 176.46 3fy4 s LYS 88 N -3.70 3.04 0.00 0.44 1.02 -1.26 0.31 119.74 119.59 3fy4 s LYS 88 Ca 0.32 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.44 3fy4 s LYS 88 Cb -0.06 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3fy4 s LYS 88 CO 0.20 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 3fy4 n GLY 89 N 3.76 -0.43 3.64 -3.33 0.00 -0.23 -4.92 105.19 103.68 3fy4 n GLY 89 Ca -0.19 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3fy4 n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fy4 s GLU 90 N -1.81 3.99 0.26 1.61 2.56 -1.26 -4.07 118.70 119.98 3fy4 s GLU 90 Ca 0.00 1.73 -0.09 0.00 0.00 0.00 0.00 54.97 56.61 3fy4 s GLU 90 Cb 0.00 -3.95 0.41 0.00 2.00 0.00 0.00 34.13 32.60 3fy4 s GLU 90 CO 0.00 -1.05 1.58 -1.35 -0.56 0.00 0.00 175.26 173.89 3fy4 h PRO 91 N 9.75 0.01 -0.06 4.30 0.11 -1.92 -1.31 132.00 142.88 3fy4 h PRO 91 Ca -0.32 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.82 3fy4 h PRO 91 Cb 1.14 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3fy4 h PRO 91 CO 0.99 0.00 -0.31 0.78 -0.21 0.00 0.00 178.00 179.26 3fy4 h GLY 92 N 0.01 -0.46 0.65 -0.55 0.00 -1.93 0.11 103.07 100.90 3fy4 h GLY 92 Ca 0.43 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 48.12 3fy4 h GLY 92 CO -0.89 -0.22 -0.45 0.83 0.00 0.00 0.00 176.54 175.81 3fy4 h GLU 93 N -0.42 -0.95 -0.72 4.80 5.08 -1.70 -2.63 114.58 118.03 3fy4 h GLU 93 Ca 0.08 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.66 3fy4 h GLU 93 Cb 0.54 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 3fy4 h GLU 93 CO -0.29 -0.64 0.04 0.28 -1.00 0.00 0.00 179.01 177.41 3fy4 h VAL 94 N -0.99 0.41 -0.23 3.13 2.07 -1.05 -1.39 116.25 118.20 3fy4 h VAL 94 Ca -0.07 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3fy4 h VAL 94 Cb 0.84 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3fy4 h VAL 94 CO -0.01 0.03 0.13 -0.07 0.02 0.00 0.00 177.57 177.67 3fy4 h LEU 95 N 0.14 0.29 -0.93 2.57 -0.00 -0.61 -1.50 115.31 115.26 3fy4 h LEU 95 Ca 0.40 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.88 58.11 3fy4 h LEU 95 Cb 0.69 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 3fy4 h LEU 95 CO -0.60 0.27 -0.34 -0.37 -0.00 0.00 0.00 178.44 177.40 3fy4 h VAL 96 N 0.28 1.29 0.00 1.22 -1.51 -1.07 -0.82 116.25 115.63 3fy4 h VAL 96 Ca 0.08 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 3fy4 h VAL 96 Cb 0.04 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3fy4 h VAL 96 CO -0.01 0.43 0.00 -0.09 -1.23 0.00 0.00 177.57 176.67 3fy4 h ARG 97 N 0.32 0.00 0.14 5.19 2.43 -1.00 0.16 114.38 121.62 3fy4 h ARG 97 Ca 0.04 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.87 3fy4 h ARG 97 Cb 0.75 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3fy4 h ARG 97 CO 0.06 0.00 -1.73 0.00 -1.51 0.00 0.00 179.97 176.79 3fy4 h LEU 99 N 0.08 0.26 0.00 0.00 3.38 -0.47 -0.53 115.31 118.04 3fy4 h LEU 99 Ca -0.33 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3fy4 h LEU 99 Cb 2.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.74 3fy4 h LEU 99 CO 0.15 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.29 3fy4 n GLN 100 N -4.70 0.46 -0.02 1.13 10.64 0.50 -2.76 117.38 122.63 3fy4 n GLN 100 Ca -0.06 0.05 0.02 0.00 -1.83 0.00 0.00 57.00 55.18 3fy4 n GLN 100 Cb 0.27 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.06 3fy4 n GLN 100 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3fy4 n GLU 101 N -1.14 0.99 -4.36 2.61 4.07 -1.06 -5.02 120.64 116.72 3fy4 n GLU 101 Ca 0.12 -0.07 -0.28 0.00 -0.06 0.00 0.00 57.16 56.87 3fy4 n GLU 101 Cb 0.11 -1.28 -0.11 0.00 -0.06 0.00 0.00 31.44 30.10 3fy4 n GLU 101 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 3fy4 s TRP 102 N -2.63 2.43 -1.25 4.31 0.51 -0.23 -4.83 118.94 117.25 3fy4 s TRP 102 Ca -0.05 -0.31 -0.16 0.00 -2.12 0.00 0.00 56.10 53.46 3fy4 s TRP 102 Cb 0.06 -1.24 -0.03 0.00 -0.81 0.00 0.00 33.47 31.45 3fy4 s TRP 102 CO 0.48 0.45 2.18 1.63 -0.51 0.00 0.00 176.95 181.18 3fy4 n LYS 103 N 0.46 2.48 -3.82 4.98 5.02 -1.26 -4.79 118.16 121.23 3fy4 n LYS 103 Ca -0.14 -2.32 -0.36 0.00 -2.02 0.00 0.00 58.31 53.48 3fy4 n LYS 103 Cb 0.55 -3.12 -0.10 0.00 -0.02 0.00 0.00 35.03 32.33 3fy4 n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fy4 s VAL 104 N 3.67 4.89 -0.05 -0.18 1.01 -1.26 -1.35 120.40 127.13 3fy4 s VAL 104 Ca 0.51 0.02 0.12 0.00 0.00 0.00 0.00 61.98 62.63 3fy4 s VAL 104 Cb 0.14 -3.26 -0.18 0.00 0.00 0.00 0.00 36.38 33.09 3fy4 s VAL 104 CO -0.03 0.38 0.19 0.29 0.00 0.00 0.00 175.10 175.94 3fy4 n LYS 105 N 4.19 1.03 -4.45 2.72 4.76 0.13 -4.84 118.16 121.69 3fy4 n LYS 105 Ca -0.16 -0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 54.93 3fy4 n LYS 105 Cb 0.52 -1.30 -0.17 0.00 -1.84 0.00 0.00 35.03 32.24 3fy4 n LYS 105 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3fy4 s ARG 106 N -2.66 2.03 -0.16 1.97 3.52 -0.96 0.70 118.95 123.39 3fy4 s ARG 106 Ca -0.05 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 3fy4 s ARG 106 Cb 0.06 -1.74 0.01 0.00 -1.56 0.00 0.00 34.95 31.72 3fy4 s ARG 106 CO 0.51 -0.05 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.61 3fy4 s LEU 107 N 0.96 2.34 -0.02 -0.88 2.96 0.97 -0.70 118.68 124.32 3fy4 s LEU 107 Ca -0.08 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3fy4 s LEU 107 Cb -0.15 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3fy4 s LEU 107 CO -0.01 0.06 -0.17 0.00 -1.32 0.00 0.00 176.35 174.91 3fy4 s PHE 109 N -0.32 -0.65 0.42 0.00 -0.71 -0.99 0.16 117.98 115.88 3fy4 s PHE 109 Ca 0.05 1.48 -0.25 0.00 -1.04 0.00 0.00 56.93 57.16 3fy4 s PHE 109 Cb -0.07 0.26 -0.08 0.00 -1.21 0.00 0.00 43.02 41.92 3fy4 s PHE 109 CO -0.00 -0.39 1.28 -2.00 -1.34 0.00 0.00 175.22 172.77 3fy4 s GLU 110 N -0.08 3.91 0.86 1.99 2.12 -1.26 -4.08 118.70 122.16 3fy4 s GLU 110 Ca -0.03 2.10 -0.11 0.00 0.36 0.00 0.00 54.97 57.29 3fy4 s GLU 110 Cb -0.04 -2.69 0.11 0.00 0.26 0.00 0.00 34.13 31.78 3fy4 s GLU 110 CO 0.03 -0.52 1.11 -0.47 -0.54 0.00 0.00 175.26 174.86 3fy4 s TYR 111 N -1.30 2.12 -0.13 5.30 6.14 -0.31 -4.91 117.35 124.25 3fy4 s TYR 111 Ca 0.58 1.59 -0.29 0.00 0.64 0.00 0.00 57.07 59.59 3fy4 s TYR 111 Cb -0.37 -3.18 0.08 0.00 0.42 0.00 0.00 41.96 38.92 3fy4 s TYR 111 CO 0.47 -2.37 0.76 0.34 0.64 0.00 0.00 175.55 175.38 3fy4 s ASP 112 N -3.08 -0.62 0.00 4.32 2.15 -1.26 -4.64 116.67 113.54 3fy4 s ASP 112 Ca 0.64 0.84 0.15 0.00 0.43 0.00 0.00 52.55 54.61 3fy4 s ASP 112 Cb -0.20 0.73 0.14 0.00 -0.30 0.00 0.00 42.92 43.29 3fy4 s ASP 112 CO 0.57 -0.46 1.01 0.35 -0.17 0.00 0.00 175.17 176.47 3fy4 n THR 113 N 1.35 0.08 -1.75 1.71 -2.24 -1.26 -4.46 114.28 107.70 3fy4 n THR 113 Ca -0.16 -0.54 -0.39 0.00 -2.27 0.00 0.00 64.05 60.69 3fy4 n THR 113 Cb 0.57 1.26 0.04 0.00 -2.10 0.00 0.00 70.33 70.09 3fy4 n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fy4 n ASP 114 N 0.86 2.87 -0.21 3.42 10.43 -1.26 -4.70 116.55 127.96 3fy4 n ASP 114 Ca 0.09 1.02 0.01 0.00 2.57 0.00 0.00 54.79 58.49 3fy4 n ASP 114 Cb 0.39 -1.58 0.12 0.00 1.84 0.00 0.00 41.12 41.89 3fy4 n ASP 114 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3fy4 h PRO 115 N 1.68 0.37 -0.36 -0.24 0.11 -1.99 0.17 132.00 131.74 3fy4 h PRO 115 Ca -0.51 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.65 3fy4 h PRO 115 Cb 1.29 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3fy4 h PRO 115 CO 0.58 0.24 -0.13 -0.92 -0.21 0.00 0.00 178.00 177.57 3fy4 h TYR 116 N 0.38 -0.29 0.00 0.65 3.20 -2.00 -1.27 116.97 117.64 3fy4 h TYR 116 Ca 0.33 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 62.11 3fy4 h TYR 116 Cb 0.45 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3fy4 h TYR 116 CO -0.19 -0.20 -0.61 1.88 -1.64 0.00 0.00 178.16 177.40 3fy4 h TYR 117 N -0.05 0.00 -0.57 -3.82 -1.99 -1.67 -2.48 116.97 106.40 3fy4 h TYR 117 Ca 0.18 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.85 3fy4 h TYR 117 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 3fy4 h TYR 117 CO -0.36 0.61 0.12 1.96 -0.00 0.00 0.00 178.16 180.50 3fy4 h GLN 118 N 0.00 0.92 -0.37 4.88 4.20 -0.28 -0.14 115.11 124.33 3fy4 h GLN 118 Ca -0.01 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3fy4 h GLN 118 Cb 1.30 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 3fy4 h GLN 118 CO 0.08 0.87 0.19 0.00 -0.67 0.00 0.00 178.83 179.29 3fy4 h ALA 119 N 1.02 0.47 -0.44 3.87 0.00 -1.17 -2.38 119.26 120.63 3fy4 h ALA 119 Ca 0.18 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3fy4 h ALA 119 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3fy4 h ALA 119 CO 0.01 0.02 0.04 -0.07 0.00 0.00 0.00 179.25 179.25 3fy4 h LEU 120 N 0.46 0.73 -1.85 0.00 3.38 -1.28 -3.13 115.31 113.62 3fy4 h LEU 120 Ca 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3fy4 h LEU 120 Cb 0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3fy4 h LEU 120 CO -0.02 0.83 -0.05 0.44 0.09 0.00 0.00 178.44 179.74 3fy4 h ASP 121 N 0.60 0.00 0.09 -0.43 3.32 -0.84 -1.44 116.42 117.72 3fy4 h ASP 121 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3fy4 h ASP 121 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3fy4 h ASP 121 CO 0.02 0.05 -0.04 0.58 -1.72 0.00 0.00 179.24 178.12 3fy4 h VAL 122 N 0.00 1.14 0.18 -1.35 2.07 -1.38 -1.87 116.25 115.05 3fy4 h VAL 122 Ca -0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3fy4 h VAL 122 Cb 0.39 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3fy4 h VAL 122 CO 0.01 0.30 -0.38 0.11 0.02 0.00 0.00 177.57 177.63 3fy4 h LYS 123 N -0.76 -0.58 -0.90 1.57 1.57 -1.50 0.05 116.57 116.02 3fy4 h LYS 123 Ca -0.01 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3fy4 h LYS 123 Cb 0.58 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.94 3fy4 h LYS 123 CO 0.02 -0.39 0.53 0.28 -0.57 0.00 0.00 179.45 179.32 3fy4 h VAL 124 N -0.60 0.89 -0.09 0.50 2.07 -1.39 0.54 116.25 118.17 3fy4 h VAL 124 Ca -0.02 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3fy4 h VAL 124 Cb 0.57 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3fy4 h VAL 124 CO -0.15 0.16 0.05 0.50 0.02 0.00 0.00 177.57 178.14 3fy4 h LYS 125 N 0.85 0.12 -0.93 1.57 1.63 -1.04 0.01 116.57 118.79 3fy4 h LYS 125 Ca 0.44 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.22 3fy4 h LYS 125 Cb 0.44 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 3fy4 h LYS 125 CO -0.27 0.15 0.55 -0.44 -3.45 0.00 0.00 179.45 175.99 3fy4 h ASP 126 N 0.06 1.12 0.13 4.20 3.45 -0.14 0.20 116.42 125.45 3fy4 h ASP 126 Ca 0.03 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 3fy4 h ASP 126 Cb 0.06 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 3fy4 h ASP 126 CO -0.01 0.86 -0.06 0.22 -1.57 0.00 0.00 179.24 178.68 3fy4 h TYR 127 N 1.28 -0.16 -0.24 4.55 5.03 -0.63 -1.21 116.97 125.58 3fy4 h TYR 127 Ca 0.33 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.68 3fy4 h TYR 127 Cb -0.04 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.25 3fy4 h TYR 127 CO 0.01 0.12 -0.00 0.00 -1.32 0.00 0.00 178.16 176.96 3fy4 h ALA 128 N 0.38 0.21 -0.45 1.82 0.00 -0.72 -1.11 119.26 119.39 3fy4 h ALA 128 Ca -0.02 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fy4 h ALA 128 Cb 0.35 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3fy4 h ALA 128 CO 0.03 -0.42 0.19 1.03 0.00 0.00 0.00 179.25 180.08 3fy4 h SER 129 N 0.07 0.25 0.56 0.00 0.87 -0.56 -0.40 113.55 114.34 3fy4 h SER 129 Ca 0.11 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3fy4 h SER 129 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3fy4 h SER 129 CO -0.19 0.18 0.00 -1.54 -0.53 0.00 0.00 176.83 174.74 3fy4 n SER 130 N -4.96 0.00 -0.40 6.23 3.41 -0.46 -2.92 113.62 114.52 3fy4 n SER 130 Ca 0.03 0.36 0.05 0.00 -0.26 0.00 0.00 58.87 59.06 3fy4 n SER 130 Cb 0.15 -0.44 0.12 0.00 -0.26 0.00 0.00 64.21 63.78 3fy4 n SER 130 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3fy4 n THR 131 N -1.44 1.32 -1.40 6.66 -2.24 -0.42 -4.99 114.28 111.76 3fy4 n THR 131 Ca 0.06 -1.30 -0.06 0.00 -2.27 0.00 0.00 64.05 60.48 3fy4 n THR 131 Cb 0.20 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3fy4 n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fy4 n GLY 132 N -0.22 0.67 3.79 3.38 0.00 -0.76 -5.03 105.19 107.03 3fy4 n GLY 132 Ca 0.10 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3fy4 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fy4 s VAL 133 N -2.25 5.34 0.45 1.61 1.01 -0.29 -4.92 120.40 121.35 3fy4 s VAL 133 Ca 0.00 0.43 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 3fy4 s VAL 133 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 3fy4 s VAL 133 CO 0.00 0.49 0.97 -0.70 0.00 0.00 0.00 175.10 175.86 3fy4 s GLU 134 N -0.21 4.13 -0.08 2.72 2.12 0.22 -4.18 118.70 123.42 3fy4 s GLU 134 Ca 0.16 1.11 -0.00 0.00 0.36 0.00 0.00 54.97 56.59 3fy4 s GLU 134 Cb -0.13 -2.16 0.02 0.00 0.26 0.00 0.00 34.13 32.12 3fy4 s GLU 134 CO 0.04 -0.12 -0.05 0.08 -0.54 0.00 0.00 175.26 174.68 3fy4 s VAL 135 N -2.25 0.72 -0.23 3.70 1.01 -1.26 -0.02 120.40 122.07 3fy4 s VAL 135 Ca 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3fy4 s VAL 135 Cb -0.10 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3fy4 s VAL 135 CO 0.17 0.30 -0.08 0.12 0.00 0.00 0.00 175.10 175.61 3fy4 s PHE 136 N 1.58 3.01 -0.49 5.22 5.99 -0.66 -5.01 117.98 127.62 3fy4 s PHE 136 Ca 0.01 -1.51 0.03 0.00 0.00 0.00 0.00 56.93 55.46 3fy4 s PHE 136 Cb -0.13 -2.04 0.16 0.00 0.00 0.00 0.00 43.02 41.01 3fy4 s PHE 136 CO -0.05 -0.72 0.35 0.45 -0.00 0.00 0.00 175.22 175.25 3fy4 s SER 137 N 1.33 2.94 0.46 6.13 0.15 -1.26 -2.36 113.70 121.10 3fy4 s SER 137 Ca 0.01 -3.10 -0.21 0.00 0.70 0.00 0.00 55.95 53.35 3fy4 s SER 137 Cb -0.16 -0.88 -0.09 0.00 -1.71 0.00 0.00 66.02 63.18 3fy4 s SER 137 CO -0.06 -0.18 1.01 -2.16 1.20 0.00 0.00 173.24 173.05 3fy4 s PRO 138 N -0.19 3.99 -0.55 5.44 0.04 -1.26 -4.46 135.00 138.01 3fy4 s PRO 138 Ca 0.26 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 3fy4 s PRO 138 Cb -0.07 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.36 3fy4 s PRO 138 CO -0.13 -0.26 0.86 0.08 0.04 0.00 0.00 177.00 177.59 3fy4 s VAL 139 N -2.03 4.51 0.00 -0.36 1.01 -1.26 -1.17 120.40 121.10 3fy4 s VAL 139 Ca 0.65 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3fy4 s VAL 139 Cb -0.14 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.75 3fy4 s VAL 139 CO 0.18 -1.07 0.11 -1.54 0.00 0.00 0.00 175.10 172.78 3fy4 n SER 140 N 7.15 0.09 0.16 3.32 3.41 -1.26 -4.75 113.62 121.74 3fy4 n SER 140 Ca -0.01 -1.01 0.07 0.00 -0.26 0.00 0.00 58.87 57.66 3fy4 n SER 140 Cb 0.47 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.48 3fy4 n SER 140 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3fy4 h HIS 141 N 0.00 0.00 -3.29 7.33 6.17 -1.86 -3.42 115.15 120.09 3fy4 h HIS 141 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 60.37 60.71 3fy4 h HIS 141 Cb 0.52 0.00 -0.14 0.00 2.52 0.00 0.00 27.41 30.31 3fy4 h HIS 141 CO 0.00 0.28 -0.68 0.95 0.71 0.00 0.00 177.93 179.19 3fy4 s THR 142 N -3.09 1.13 0.13 6.26 -4.23 -1.26 -4.72 115.64 109.86 3fy4 s THR 142 Ca 0.04 -2.05 0.12 0.00 -1.18 0.00 0.00 61.69 58.62 3fy4 s THR 142 Cb 0.07 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 3fy4 s THR 142 CO 0.73 -0.46 1.52 -0.07 -0.54 0.00 0.00 174.62 175.80 3fy4 h LEU 143 N 2.56 0.00 -9.34 4.79 3.38 -1.92 -3.46 115.31 111.31 3fy4 h LEU 143 Ca -0.38 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.05 3fy4 h LEU 143 Cb 1.21 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 3fy4 h LEU 143 CO 0.64 0.65 -0.64 -0.36 0.09 0.00 0.00 178.44 178.82 3fy4 s PHE 144 N -3.24 2.18 -0.44 1.13 0.40 -1.26 -4.44 117.98 112.30 3fy4 s PHE 144 Ca 0.01 -0.72 -0.13 0.00 -0.60 0.00 0.00 56.93 55.48 3fy4 s PHE 144 Cb 0.11 -1.37 0.06 0.00 0.51 0.00 0.00 43.02 42.32 3fy4 s PHE 144 CO 0.76 0.31 0.33 1.21 0.70 0.00 0.00 175.22 178.52 3fy4 s ASN 145 N -3.55 5.97 0.25 1.36 3.84 -1.26 -4.98 114.94 116.56 3fy4 s ASN 145 Ca 0.33 -1.27 -0.12 0.00 0.21 0.00 0.00 52.86 52.01 3fy4 s ASN 145 Cb 0.06 -2.11 0.34 0.00 -0.55 0.00 0.00 41.25 38.99 3fy4 s ASN 145 CO 0.15 -0.56 1.58 -0.65 -2.79 0.00 0.00 177.10 174.83 3fy4 h PRO 146 N 8.61 -0.02 -0.85 0.43 0.11 -1.94 0.49 132.00 138.85 3fy4 h PRO 146 Ca -0.27 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.99 3fy4 h PRO 146 Cb 1.10 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 3fy4 h PRO 146 CO 0.80 -0.01 0.43 0.00 -0.21 0.00 0.00 178.00 179.01 3fy4 h ALA 147 N 1.71 1.27 -0.04 -0.75 0.00 -1.94 -0.77 119.26 118.74 3fy4 h ALA 147 Ca 0.39 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 3fy4 h ALA 147 Cb 0.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fy4 h ALA 147 CO -0.90 -0.10 0.01 0.45 0.00 0.00 0.00 179.25 178.71 3fy4 h HIS 148 N 0.61 0.06 -0.10 0.00 3.86 -1.33 -0.23 115.15 118.01 3fy4 h HIS 148 Ca 0.46 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.70 3fy4 h HIS 148 Cb 0.66 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 3fy4 h HIS 148 CO -0.10 0.21 -0.13 0.82 0.86 0.00 0.00 177.93 179.59 3fy4 h ILE 149 N -0.11 0.65 -0.84 2.45 1.08 -0.98 0.22 117.51 119.97 3fy4 h ILE 149 Ca 0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3fy4 h ILE 149 Cb 0.17 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 3fy4 h ILE 149 CO -0.00 0.00 0.52 0.40 -0.69 0.00 0.00 178.15 178.38 3fy4 h ILE 150 N -0.17 1.23 -0.17 -0.67 2.04 -1.11 0.18 117.51 118.85 3fy4 h ILE 150 Ca 0.08 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3fy4 h ILE 150 Cb 0.28 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3fy4 h ILE 150 CO -0.20 0.24 -0.00 -0.08 0.00 0.00 0.00 178.15 178.10 3fy4 h GLU 151 N 1.16 0.30 -0.32 2.37 4.81 -0.58 -3.10 114.58 119.21 3fy4 h GLU 151 Ca 0.30 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3fy4 h GLU 151 Cb -0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3fy4 h GLU 151 CO -0.06 0.52 0.17 -0.22 -0.73 0.00 0.00 179.01 178.69 3fy4 h LYS 152 N 0.04 0.46 -0.18 1.92 3.64 -0.34 -2.36 116.57 119.75 3fy4 h LYS 152 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3fy4 h LYS 152 Cb 0.39 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3fy4 h LYS 152 CO 0.01 0.40 0.00 -1.71 -2.27 0.00 0.00 179.45 175.88 3fy4 n ASN 153 N -4.78 0.18 0.00 4.20 5.15 0.62 -4.87 115.26 115.76 3fy4 n ASN 153 Ca -0.01 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 3fy4 n ASN 153 Cb 0.09 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 3fy4 n ASN 153 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fy4 n GLY 154 N 0.08 1.18 0.00 8.20 0.00 -0.89 -4.42 105.19 109.35 3fy4 n GLY 154 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3fy4 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy4 n GLY 155 N 0.00 1.00 3.35 -0.02 0.00 -1.18 -4.65 105.19 103.69 3fy4 n GLY 155 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3fy4 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fy4 s LYS 156 N 0.00 1.45 0.21 1.61 1.02 -1.24 -4.86 119.74 117.94 3fy4 s LYS 156 Ca 0.00 -1.78 -0.30 0.00 0.02 0.00 0.00 55.97 53.91 3fy4 s LYS 156 Cb 0.00 -0.49 -0.08 0.00 -0.52 0.00 0.00 37.83 36.74 3fy4 s LYS 156 CO 0.00 -0.22 1.06 -1.25 -0.92 0.00 0.00 175.35 174.02 3fy4 s PRO 157 N -3.96 4.66 0.16 -1.68 0.04 -1.26 -4.63 135.00 128.33 3fy4 s PRO 157 Ca 0.35 1.68 -0.33 0.00 0.04 0.00 0.00 61.00 62.75 3fy4 s PRO 157 Cb 0.08 -3.26 -0.17 0.00 0.04 0.00 0.00 34.50 31.19 3fy4 s PRO 157 CO 0.13 0.19 1.00 -2.30 0.04 0.00 0.00 177.00 176.06 3fy4 n PRO 158 N 1.97 0.74 0.00 0.56 -0.02 -1.26 -4.85 135.00 132.13 3fy4 n PRO 158 Ca 0.01 0.26 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3fy4 n PRO 158 Cb 0.46 -1.65 0.54 0.00 -0.02 0.00 0.00 33.50 32.83 3fy4 n PRO 158 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3fy4 n LEU 159 N 1.86 0.00 -3.64 2.45 4.77 -1.26 -4.79 117.00 116.39 3fy4 n LEU 159 Ca 0.16 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 3fy4 n LEU 159 Cb 0.22 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3fy4 n LEU 159 CO 0.60 -0.09 0.21 -0.94 -1.33 0.00 0.00 177.39 175.84 3fy4 s SER 160 N -2.65 -0.37 0.16 -1.43 1.04 -1.26 -4.94 113.70 104.25 3fy4 s SER 160 Ca 0.19 0.20 -0.28 0.00 0.48 0.00 0.00 55.95 56.53 3fy4 s SER 160 Cb 0.15 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 3fy4 s SER 160 CO 0.35 -0.62 1.55 0.22 0.98 0.00 0.00 173.24 175.72 3fy4 h TYR 161 N 3.15 -1.60 -0.44 5.02 3.20 -1.98 0.61 116.97 124.94 3fy4 h TYR 161 Ca -0.30 0.10 0.09 0.00 3.14 0.00 0.00 58.73 61.76 3fy4 h TYR 161 Cb 1.19 0.80 -0.10 0.00 1.54 0.00 0.00 36.73 40.16 3fy4 h TYR 161 CO 0.42 -0.42 -0.28 1.96 -1.64 0.00 0.00 178.16 178.21 3fy4 h GLN 162 N -0.15 -0.18 -0.32 1.82 7.50 -1.99 0.08 115.11 121.87 3fy4 h GLN 162 Ca 0.17 0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.28 3fy4 h GLN 162 Cb 0.52 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 3fy4 h GLN 162 CO -0.80 -0.12 -0.01 1.03 -1.50 0.00 0.00 178.83 177.42 3fy4 h SER 163 N -0.19 0.46 -0.38 1.46 0.87 -1.29 -2.11 113.55 112.37 3fy4 h SER 163 Ca 0.20 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 3fy4 h SER 163 Cb 0.51 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3fy4 h SER 163 CO -0.55 0.54 -0.25 0.15 -0.53 0.00 0.00 176.83 176.19 3fy4 h PHE 164 N 0.47 0.99 -0.57 2.24 3.04 0.16 -2.37 116.94 120.90 3fy4 h PHE 164 Ca 0.10 -0.27 -0.10 0.00 3.98 0.00 0.00 57.97 61.69 3fy4 h PHE 164 Cb 0.33 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 3fy4 h PHE 164 CO 0.01 1.05 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.24 3fy4 h LEU 165 N 0.65 1.00 0.23 0.59 3.38 -0.77 0.90 115.31 121.29 3fy4 h LEU 165 Ca 0.08 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3fy4 h LEU 165 Cb 0.82 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3fy4 h LEU 165 CO 0.07 1.07 -0.18 0.50 0.09 0.00 0.00 178.44 179.98 3fy4 h LYS 166 N 0.92 -0.41 -0.05 1.13 3.64 -1.32 -0.93 116.57 119.56 3fy4 h LYS 166 Ca 0.16 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3fy4 h LYS 166 Cb 0.58 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3fy4 h LYS 166 CO 0.03 -0.27 -0.01 0.28 -2.27 0.00 0.00 179.45 177.21 3fy4 h VAL 167 N -0.43 1.30 -0.73 2.00 2.07 -1.28 -3.24 116.25 115.95 3fy4 h VAL 167 Ca -0.01 -0.92 0.15 0.00 0.82 0.00 0.00 66.70 66.74 3fy4 h VAL 167 Cb 0.38 1.82 -0.10 0.00 -1.52 0.00 0.00 31.29 31.87 3fy4 h VAL 167 CO -0.01 0.25 0.23 0.00 0.02 0.00 0.00 177.57 178.05 3fy4 h ALA 168 N 0.65 0.98 -0.29 1.67 0.00 0.92 -3.47 119.26 119.72 3fy4 h ALA 168 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fy4 h ALA 168 Cb 0.41 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fy4 h ALA 168 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.38 3fy4 n GLY 169 N -1.34 1.14 3.36 0.00 0.00 -0.36 -4.76 105.19 103.23 3fy4 n GLY 169 Ca 0.14 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 3fy4 n GLY 169 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fy4 s GLU 170 N 0.00 1.87 0.60 1.61 -1.05 -1.26 -4.95 118.70 115.53 3fy4 s GLU 170 Ca 0.00 -1.07 -0.20 0.00 -0.15 0.00 0.00 54.97 53.55 3fy4 s GLU 170 Cb 0.00 -2.02 -0.03 0.00 -0.44 0.00 0.00 34.13 31.64 3fy4 s GLU 170 CO 0.00 0.52 1.31 -1.25 0.95 0.00 0.00 175.26 176.79 3fy4 s PRO 171 N -1.22 2.83 0.29 -4.83 0.04 -1.26 -4.92 135.00 125.92 3fy4 s PRO 171 Ca 0.12 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 3fy4 s PRO 171 Cb -0.10 -2.02 0.43 0.00 0.04 0.00 0.00 34.50 32.85 3fy4 s PRO 171 CO 0.02 -1.40 1.88 0.66 0.04 0.00 0.00 177.00 178.20 3fy4 h SER 172 N 0.94 0.83 0.00 6.66 4.64 -1.99 -1.73 113.55 122.91 3fy4 h SER 172 Ca -0.51 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 3fy4 h SER 172 Cb 1.32 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3fy4 h SER 172 CO 0.55 0.73 0.03 0.00 -0.87 0.00 0.00 176.83 177.26 3fy4 n ALA 174 N -1.42 -0.16 1.71 0.00 0.00 -0.65 -2.50 120.51 117.49 3fy4 n ALA 174 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3fy4 n ALA 174 Cb 0.03 0.17 0.34 0.00 0.00 0.00 0.00 19.45 20.00 3fy4 n ALA 174 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fy4 n LYS 175 N -1.72 1.25 -2.06 0.00 4.76 -1.23 -4.90 118.16 114.26 3fy4 n LYS 175 Ca 0.00 -0.38 -0.32 0.00 -2.87 0.00 0.00 58.31 54.74 3fy4 n LYS 175 Cb 0.00 -1.25 -0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3fy4 n LYS 175 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3fy4 s SER 176 N -1.38 6.18 -0.30 4.39 0.15 -1.04 -5.05 113.70 116.65 3fy4 s SER 176 Ca 0.22 1.58 -0.04 0.00 0.70 0.00 0.00 55.95 58.41 3fy4 s SER 176 Cb 0.11 -2.50 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 3fy4 s SER 176 CO 0.17 -0.90 0.03 -0.70 1.20 0.00 0.00 173.24 173.05 3fy4 s GLU 177 N -4.52 2.69 0.37 5.44 2.56 -1.26 -4.98 118.70 118.99 3fy4 s GLU 177 Ca 0.59 -1.11 -0.16 0.00 0.00 0.00 0.00 54.97 54.29 3fy4 s GLU 177 Cb -0.12 -3.26 -0.09 0.00 2.00 0.00 0.00 34.13 32.66 3fy4 s GLU 177 CO 0.42 -0.56 0.80 -0.51 -0.56 0.00 0.00 175.26 174.85 3fy4 s LEU 178 N 1.36 3.99 -0.51 2.70 1.43 -1.26 -5.03 118.68 121.35 3fy4 s LEU 178 Ca -0.02 1.37 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 3fy4 s LEU 178 Cb -0.19 -4.20 0.05 0.00 0.03 0.00 0.00 46.19 41.88 3fy4 s LEU 178 CO 0.00 -0.28 0.75 -0.69 0.23 0.00 0.00 176.35 176.36 3fy4 s VAL 179 N -2.10 4.68 -0.16 -1.59 1.01 -1.26 -4.91 120.40 116.07 3fy4 s VAL 179 Ca 0.56 -0.11 0.21 0.00 0.00 0.00 0.00 61.98 62.64 3fy4 s VAL 179 Cb -0.10 -4.38 -0.13 0.00 0.00 0.00 0.00 36.38 31.77 3fy4 s VAL 179 CO 0.19 -0.90 0.80 0.23 0.00 0.00 0.00 175.10 175.41 3fy4 n MET 180 N 6.69 0.63 -4.08 2.72 0.00 -1.26 0.05 117.12 121.87 3fy4 n MET 180 Ca -0.03 0.04 -0.11 0.00 0.00 0.00 0.00 57.70 57.61 3fy4 n MET 180 Cb 0.46 -1.72 -0.07 0.00 0.00 0.00 0.00 33.22 31.89 3fy4 n MET 180 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3fy4 s SER 181 N -5.19 0.08 -0.01 7.83 1.04 -1.26 -4.14 113.70 112.05 3fy4 s SER 181 Ca -0.04 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.26 3fy4 s SER 181 Cb 0.11 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3fy4 s SER 181 CO 0.83 -1.05 -0.01 -0.31 0.98 0.00 0.00 173.24 173.68 3fy4 s TYR 182 N -3.99 0.18 0.13 5.02 1.51 -1.26 -5.03 117.35 113.91 3fy4 s TYR 182 Ca 0.29 -0.02 -0.17 0.00 -1.01 0.00 0.00 57.07 56.17 3fy4 s TYR 182 Cb 0.02 -0.16 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 3fy4 s TYR 182 CO 0.11 -0.03 1.72 0.66 -1.11 0.00 0.00 175.55 176.90 3fy4 h SER 183 N 6.35 0.47 -5.24 2.29 4.64 -2.02 -3.47 113.55 116.58 3fy4 h SER 183 Ca -0.29 -0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 60.79 3fy4 h SER 183 Cb 1.19 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 3fy4 h SER 183 CO 0.50 0.46 0.03 -0.94 -0.87 0.00 0.00 176.83 176.01 3fy4 s SER 184 N -5.71 0.32 -0.02 4.97 1.04 -1.26 -4.96 113.70 108.08 3fy4 s SER 184 Ca -0.13 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.08 3fy4 s SER 184 Cb 0.10 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.96 3fy4 s SER 184 CO 0.74 -1.43 0.04 -0.76 0.98 0.00 0.00 173.24 172.80 3fy4 s LEU 185 N -3.11 1.75 0.26 2.42 1.02 -1.00 -5.07 118.68 114.94 3fy4 s LEU 185 Ca 0.22 0.08 -0.28 0.00 0.02 0.00 0.00 54.13 54.17 3fy4 s LEU 185 Cb -0.03 0.12 -0.15 0.00 0.02 0.00 0.00 46.19 46.15 3fy4 s LEU 185 CO 0.14 -0.03 0.89 -2.65 0.02 0.00 0.00 176.35 174.72 3fy4 n PRO 186 N 3.20 1.01 -1.14 1.29 -0.02 -1.26 -4.57 135.00 133.50 3fy4 n PRO 186 Ca -0.14 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.36 3fy4 n PRO 186 Cb 0.59 -1.63 0.13 0.00 -0.02 0.00 0.00 33.50 32.56 3fy4 n PRO 186 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fy4 s PRO 187 N -1.38 1.66 0.07 0.52 0.04 -1.26 -4.05 135.00 130.60 3fy4 s PRO 187 Ca 0.60 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 63.19 3fy4 s PRO 187 Cb -0.76 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 3fy4 s PRO 187 CO 0.59 -2.20 1.38 0.97 0.04 0.00 0.00 177.00 177.78 3fy4 h ILE 188 N -0.83 0.00 0.00 0.56 2.10 -1.80 0.42 117.51 117.95 3fy4 h ILE 188 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 3fy4 h ILE 188 Cb 1.30 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3fy4 h ILE 188 CO 0.46 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.14 3fy4 n GLY 189 N -1.34 2.48 2.18 8.18 0.00 -1.26 -2.58 105.19 112.84 3fy4 n GLY 189 Ca -0.06 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 3fy4 n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fy4 n ASP 190 N 0.00 0.67 0.00 1.61 8.00 -1.26 -4.79 116.55 120.78 3fy4 n ASP 190 Ca 0.00 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.28 3fy4 n ASP 190 Cb 0.00 -0.53 0.61 0.00 -0.02 0.00 0.00 41.12 41.19 3fy4 n ASP 190 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3fy4 n ILE 191 N 2.63 0.17 -3.66 0.53 5.41 -1.26 -4.96 119.36 118.21 3fy4 n ILE 191 Ca 0.21 0.04 0.00 0.00 1.00 0.00 0.00 62.75 64.00 3fy4 n ILE 191 Cb -0.03 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 3fy4 n ILE 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fy4 n GLY 192 N 1.11 0.95 3.18 7.39 0.00 -1.26 -3.91 105.19 112.64 3fy4 n GLY 192 Ca 0.09 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 3fy4 n GLY 192 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fy4 s ASN 193 N -4.00 6.32 0.03 1.61 3.04 -1.26 -5.01 114.94 115.67 3fy4 s ASN 193 Ca 0.00 -3.55 0.01 0.00 0.04 0.00 0.00 52.86 49.36 3fy4 s ASN 193 Cb 0.00 -2.00 -0.02 0.00 -1.54 0.00 0.00 41.25 37.69 3fy4 s ASN 193 CO 0.00 -0.25 -0.06 -0.76 -3.04 0.00 0.00 177.10 172.99 3fy4 s LEU 194 N -1.12 2.24 -0.79 3.21 1.43 -1.25 -5.05 118.68 117.34 3fy4 s LEU 194 Ca 0.27 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 3fy4 s LEU 194 Cb -0.09 -0.06 -0.19 0.00 0.03 0.00 0.00 46.19 45.87 3fy4 s LEU 194 CO -0.10 -0.23 1.89 0.61 0.23 0.00 0.00 176.35 178.75 3fy4 n GLY 195 N 1.58 1.21 3.67 -3.19 0.00 -1.26 -4.90 105.19 102.30 3fy4 n GLY 195 Ca -0.23 -0.81 -0.45 0.00 0.00 0.00 0.00 46.02 44.53 3fy4 n GLY 195 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fy4 n ILE 196 N 7.24 0.80 -3.88 -0.61 -0.00 -1.26 -4.81 119.36 116.83 3fy4 n ILE 196 Ca 0.46 -0.20 -0.11 0.00 -0.00 0.00 0.00 62.75 62.91 3fy4 n ILE 196 Cb 0.44 -1.50 -0.10 0.00 -0.00 0.00 0.00 39.64 38.48 3fy4 n ILE 196 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 3fy4 s SER 197 N 0.40 0.05 0.44 4.38 0.15 -1.19 -5.03 113.70 112.89 3fy4 s SER 197 Ca 0.70 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 57.10 3fy4 s SER 197 Cb -0.65 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 3fy4 s SER 197 CO 0.48 -0.39 0.65 -1.61 1.20 0.00 0.00 173.24 173.57 3fy4 s GLU 198 N -1.55 3.10 0.06 5.44 0.41 -1.26 -2.03 118.70 122.87 3fy4 s GLU 198 Ca -0.14 -0.51 -0.35 0.00 -0.41 0.00 0.00 54.97 53.57 3fy4 s GLU 198 Cb -0.07 -2.58 -0.14 0.00 -1.78 0.00 0.00 34.13 29.56 3fy4 s GLU 198 CO 0.01 -0.22 1.62 0.28 -0.49 0.00 0.00 175.26 176.45 3fy4 n VAL 199 N -2.03 0.15 -2.64 2.63 0.31 -1.26 -4.85 118.33 110.65 3fy4 n VAL 199 Ca 0.01 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.93 3fy4 n VAL 199 Cb 0.58 -1.46 -0.05 0.00 -0.91 0.00 0.00 33.84 31.99 3fy4 n VAL 199 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3fy4 s PRO 200 N 1.74 4.47 0.66 5.55 0.04 -1.26 -5.06 135.00 141.13 3fy4 s PRO 200 Ca 0.84 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 63.28 3fy4 s PRO 200 Cb -0.76 -2.82 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 3fy4 s PRO 200 CO 0.45 0.14 1.04 -1.54 0.04 0.00 0.00 177.00 177.12 3fy4 s SER 201 N -1.42 5.67 0.36 6.66 1.04 -1.26 -4.91 113.70 119.83 3fy4 s SER 201 Ca 0.51 1.12 0.05 0.00 0.48 0.00 0.00 55.95 58.11 3fy4 s SER 201 Cb -0.23 -2.02 0.72 0.00 0.10 0.00 0.00 66.02 64.59 3fy4 s SER 201 CO 0.29 -1.16 1.97 -0.07 0.98 0.00 0.00 173.24 175.24 3fy4 h LEU 202 N -0.47 0.68 -0.28 2.42 -0.00 -1.97 -1.53 115.31 114.16 3fy4 h LEU 202 Ca -0.45 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.42 3fy4 h LEU 202 Cb 1.24 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 3fy4 h LEU 202 CO 0.63 0.45 0.15 -0.08 -0.00 0.00 0.00 178.44 179.59 3fy4 h GLU 203 N 0.78 0.39 0.00 1.13 4.81 -1.93 -1.47 114.58 118.28 3fy4 h GLU 203 Ca 0.30 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3fy4 h GLU 203 Cb 0.19 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3fy4 h GLU 203 CO -0.09 0.35 -0.08 0.93 -0.73 0.00 0.00 179.01 179.38 3fy4 h GLU 204 N 0.34 0.00 0.00 1.92 5.08 -1.64 0.16 114.58 120.43 3fy4 h GLU 204 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3fy4 h GLU 204 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3fy4 h GLU 204 CO -0.02 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.36 3fy4 n LEU 205 N -4.08 0.00 0.00 1.33 7.99 -0.62 -4.86 117.00 116.75 3fy4 n LEU 205 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 3fy4 n LEU 205 Cb 0.17 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 3fy4 n LEU 205 CO 0.32 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.81 3fy4 n GLY 206 N 0.73 0.86 3.72 -0.72 0.00 0.56 -1.88 105.19 108.46 3fy4 n GLY 206 Ca 0.14 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3fy4 n GLY 206 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fy4 s TYR 207 N -2.00 3.43 0.84 1.61 1.51 -0.79 -4.70 117.35 117.25 3fy4 s TYR 207 Ca 0.00 0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 56.42 3fy4 s TYR 207 Cb 0.00 -2.28 0.09 0.00 -0.11 0.00 0.00 41.96 39.67 3fy4 s TYR 207 CO 0.00 0.23 1.09 0.15 -1.11 0.00 0.00 175.55 175.91 3fy4 s LYS 208 N 0.51 1.73 0.29 -0.62 1.02 -1.26 -4.19 119.74 117.22 3fy4 s LYS 208 Ca 0.13 0.90 0.02 0.00 0.02 0.00 0.00 55.97 57.03 3fy4 s LYS 208 Cb -0.12 -1.86 0.44 0.00 -0.52 0.00 0.00 37.83 35.77 3fy4 s LYS 208 CO 0.02 -1.94 1.77 -0.44 -0.92 0.00 0.00 175.35 173.85 3fy4 h ASP 209 N -1.33 0.57 0.48 2.83 3.32 -1.98 -2.38 116.42 117.92 3fy4 h ASP 209 Ca -0.47 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.42 3fy4 h ASP 209 Cb 1.26 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 3fy4 h ASP 209 CO 0.54 0.72 -0.02 -2.24 -1.72 0.00 0.00 179.24 176.52 3fy4 h ASP 210 N 0.54 0.00 0.31 6.45 2.03 -2.01 0.28 116.42 124.03 3fy4 h ASP 210 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3fy4 h ASP 210 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 3fy4 h ASP 210 CO 0.03 0.02 -0.08 -0.62 -1.03 0.00 0.00 179.24 177.56 3fy4 n GLU 211 N -3.17 0.76 -0.01 4.15 1.02 -0.90 -3.46 120.64 119.02 3fy4 n GLU 211 Ca -0.01 -0.24 0.03 0.00 -0.02 0.00 0.00 57.16 56.92 3fy4 n GLU 211 Cb 0.19 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3fy4 n GLU 211 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3fy4 n GLN 212 N -0.91 0.29 0.03 3.49 6.02 0.96 -4.76 117.38 122.50 3fy4 n GLN 212 Ca 0.16 -1.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.04 3fy4 n GLN 212 Cb 0.26 -1.12 -0.05 0.00 1.02 0.00 0.00 30.24 30.35 3fy4 n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fy4 h ALA 213 N 1.20 -0.05 -2.34 -1.58 0.00 -1.50 -3.44 119.26 111.56 3fy4 h ALA 213 Ca 0.00 0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.42 3fy4 h ALA 213 Cb 0.31 0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.35 3fy4 h ALA 213 CO 0.00 -0.56 0.36 -0.51 0.00 0.00 0.00 179.25 178.54 3fy4 s ASP 214 N -5.10 5.18 -0.10 0.00 -0.00 -1.26 -5.07 116.67 110.32 3fy4 s ASP 214 Ca -0.14 1.73 -0.04 0.00 -0.00 0.00 0.00 52.55 54.10 3fy4 s ASP 214 Cb 0.08 -2.51 0.05 0.00 -0.00 0.00 0.00 42.92 40.54 3fy4 s ASP 214 CO 0.67 -1.58 0.21 0.26 -0.00 0.00 0.00 175.17 174.73 3fy4 s TRP 215 N -2.88 -0.29 0.52 4.23 0.52 -1.26 -5.07 118.94 114.71 3fy4 s TRP 215 Ca 0.60 0.75 -0.21 0.00 0.02 0.00 0.00 56.10 57.26 3fy4 s TRP 215 Cb -0.16 -0.10 -0.06 0.00 -1.15 0.00 0.00 33.47 32.01 3fy4 s TRP 215 CO 0.52 -0.28 1.21 -0.08 0.02 0.00 0.00 176.95 178.34 3fy4 s THR 216 N 1.98 2.78 -0.36 2.01 -1.32 -1.25 -4.88 115.64 114.60 3fy4 s THR 216 Ca -0.02 0.54 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 3fy4 s THR 216 Cb -0.12 -3.25 0.02 0.00 -1.51 0.00 0.00 72.50 67.64 3fy4 s THR 216 CO -0.07 -0.05 0.84 -0.81 -2.21 0.00 0.00 174.62 172.32 3fy4 n PRO 217 N -1.01 1.05 -3.77 7.08 -0.04 -1.26 -4.70 135.00 132.35 3fy4 n PRO 217 Ca 0.10 -0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 3fy4 n PRO 217 Cb 0.48 -1.20 -0.15 0.00 -0.04 0.00 0.00 33.50 32.59 3fy4 n PRO 217 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3fy4 s PHE 218 N -0.42 1.76 0.50 0.54 0.40 -1.26 -5.12 117.98 114.39 3fy4 s PHE 218 Ca 0.01 -1.65 -0.22 0.00 -0.60 0.00 0.00 56.93 54.47 3fy4 s PHE 218 Cb 0.01 -1.64 -0.06 0.00 0.51 0.00 0.00 43.02 41.83 3fy4 s PHE 218 CO 0.00 -0.83 1.22 1.03 0.70 0.00 0.00 175.22 177.35 3fy4 s ARG 219 N 1.60 3.47 0.49 0.44 3.00 -1.26 -4.92 118.95 121.77 3fy4 s ARG 219 Ca 0.06 1.91 0.02 0.00 0.00 0.00 0.00 55.73 57.72 3fy4 s ARG 219 Cb -0.17 -2.29 0.09 0.00 0.00 0.00 0.00 34.95 32.58 3fy4 s ARG 219 CO -0.20 -0.83 0.67 0.41 0.00 0.00 0.00 175.30 175.36 3fy4 n GLY 220 N 0.52 1.09 0.00 -3.53 0.00 -1.26 -4.83 105.19 97.18 3fy4 n GLY 220 Ca 0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3fy4 n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy4 n GLY 221 N -0.36 2.52 0.33 -0.02 0.00 -1.26 -4.41 105.19 101.98 3fy4 n GLY 221 Ca 0.12 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 3fy4 n GLY 221 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fy4 h GLU 222 N 0.00 1.15 0.47 1.61 4.81 -1.75 -1.35 114.58 119.52 3fy4 h GLU 222 Ca 0.00 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3fy4 h GLU 222 Cb 0.00 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3fy4 h GLU 222 CO 0.00 1.00 -0.51 0.77 -0.73 0.00 0.00 179.01 179.54 3fy4 h SER 223 N 1.09 -1.43 -0.49 1.04 0.02 -1.88 0.75 113.55 112.65 3fy4 h SER 223 Ca 0.23 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.37 3fy4 h SER 223 Cb 0.37 0.48 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 3fy4 h SER 223 CO 0.00 -0.67 0.14 -0.33 -1.14 0.00 0.00 176.83 174.84 3fy4 h GLU 224 N -1.00 0.29 -0.30 3.45 4.39 -1.77 -1.19 114.58 118.46 3fy4 h GLU 224 Ca -0.06 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.66 3fy4 h GLU 224 Cb 0.88 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.40 3fy4 h GLU 224 CO -0.09 0.19 -0.38 0.00 -1.16 0.00 0.00 179.01 177.57 3fy4 h ALA 225 N 1.35 -0.62 -0.96 3.43 0.00 -0.47 0.33 119.26 122.32 3fy4 h ALA 225 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3fy4 h ALA 225 Cb 0.29 1.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3fy4 h ALA 225 CO -0.28 -0.81 0.63 -0.07 0.00 0.00 0.00 179.25 178.73 3fy4 h LEU 226 N -0.26 1.07 0.32 0.00 3.38 -0.65 -0.86 115.31 118.31 3fy4 h LEU 226 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3fy4 h LEU 226 Cb 0.40 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fy4 h LEU 226 CO -0.42 0.75 -0.15 0.50 0.09 0.00 0.00 178.44 179.21 3fy4 h LYS 227 N 1.25 -0.41 0.00 1.13 3.64 -0.31 -2.41 116.57 119.46 3fy4 h LYS 227 Ca 0.37 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 3fy4 h LYS 227 Cb -0.07 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3fy4 h LYS 227 CO -0.10 -0.27 -0.18 -0.09 -2.27 0.00 0.00 179.45 176.54 3fy4 h ARG 228 N -0.44 0.00 -0.32 1.90 2.43 -0.05 -1.87 114.38 116.03 3fy4 h ARG 228 Ca -0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3fy4 h ARG 228 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3fy4 h ARG 228 CO 0.07 0.18 0.09 1.25 -1.51 0.00 0.00 179.97 180.06 3fy4 h LEU 229 N 0.00 0.48 -0.78 3.80 5.85 -0.92 0.40 115.31 124.13 3fy4 h LEU 229 Ca -0.00 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.61 3fy4 h LEU 229 Cb 0.36 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3fy4 h LEU 229 CO 0.02 0.56 0.40 0.74 -0.34 0.00 0.00 178.44 179.83 3fy4 h THR 230 N 0.36 0.83 -0.13 1.05 2.02 -0.85 -0.93 112.91 115.26 3fy4 h THR 230 Ca 0.10 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 66.87 3fy4 h THR 230 Cb 0.26 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3fy4 h THR 230 CO -0.00 0.12 -0.66 0.11 0.37 0.00 0.00 175.52 175.46 3fy4 h LYS 231 N 0.65 0.67 -0.05 6.66 1.57 -0.96 -2.74 116.57 122.37 3fy4 h LYS 231 Ca 0.39 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3fy4 h LYS 231 Cb 0.45 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3fy4 h LYS 231 CO -0.29 1.17 0.04 0.77 -0.57 0.00 0.00 179.45 180.56 3fy4 h SER 232 N 0.34 0.00 0.00 0.86 0.02 0.85 -2.98 113.55 112.64 3fy4 h SER 232 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3fy4 h SER 232 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3fy4 h SER 232 CO 0.14 0.00 -0.12 2.30 -1.14 0.00 0.00 176.83 178.01 3fy4 n ILE 233 N -4.32 1.71 -0.01 3.27 -5.35 -0.46 -4.73 119.36 109.46 3fy4 n ILE 233 Ca -0.02 -2.13 -0.03 0.00 -0.27 0.00 0.00 62.75 60.30 3fy4 n ILE 233 Cb 0.14 -0.15 0.20 0.00 -1.74 0.00 0.00 39.64 38.09 3fy4 n ILE 233 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3fy4 h SER 234 N 0.12 0.55 -1.87 7.28 4.64 -1.32 -3.37 113.55 119.58 3fy4 h SER 234 Ca -0.00 -0.17 -0.63 0.00 -0.47 0.00 0.00 61.79 60.52 3fy4 h SER 234 Cb 1.05 -0.15 -0.13 0.00 -0.31 0.00 0.00 62.40 62.86 3fy4 h SER 234 CO 0.00 0.74 1.11 -0.62 -0.87 0.00 0.00 176.83 177.19 3fy4 s ASP 235 N -6.77 6.47 0.34 4.97 3.68 -1.26 -4.88 116.67 119.22 3fy4 s ASP 235 Ca -0.08 -1.50 0.11 0.00 2.13 0.00 0.00 52.55 53.21 3fy4 s ASP 235 Cb 0.14 -2.49 0.89 0.00 -1.45 0.00 0.00 42.92 40.01 3fy4 s ASP 235 CO 0.79 -1.38 1.78 0.11 0.13 0.00 0.00 175.17 176.60 3fy4 h LYS 236 N 9.46 0.59 -0.27 4.34 6.56 -1.98 -1.66 116.57 133.61 3fy4 h LYS 236 Ca 0.08 -0.04 -0.07 0.00 -1.06 0.00 0.00 60.65 59.56 3fy4 h LYS 236 Cb 1.03 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.55 3fy4 h LYS 236 CO 1.27 0.39 -0.10 0.00 -2.06 0.00 0.00 179.45 178.95 3fy4 h ALA 237 N 1.65 0.37 0.19 3.86 0.00 -1.95 -0.06 119.26 123.32 3fy4 h ALA 237 Ca 0.58 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3fy4 h ALA 237 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3fy4 h ALA 237 CO -0.35 0.22 -0.23 2.35 0.00 0.00 0.00 179.25 181.24 3fy4 h TRP 238 N 0.28 -0.61 -0.19 0.00 7.01 -1.73 0.39 115.95 121.10 3fy4 h TRP 238 Ca 0.06 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 3fy4 h TRP 238 Cb 0.60 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 3fy4 h TRP 238 CO 0.06 -0.34 -0.05 -0.24 -2.79 0.00 0.00 178.44 175.08 3fy4 h VAL 239 N -0.47 1.15 -0.15 2.65 3.04 -1.38 -1.52 116.25 119.56 3fy4 h VAL 239 Ca 0.01 -0.61 -0.15 0.00 -1.01 0.00 0.00 66.70 64.93 3fy4 h VAL 239 Cb 0.46 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3fy4 h VAL 239 CO -0.08 0.20 -0.55 0.00 -1.01 0.00 0.00 177.57 176.13 3fy4 h ALA 240 N 1.68 0.76 -0.59 3.17 0.00 -0.09 -3.13 119.26 121.05 3fy4 h ALA 240 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fy4 h ALA 240 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fy4 h ALA 240 CO 0.01 0.69 0.00 0.09 0.00 0.00 0.00 179.25 180.04 3fy4 n ASN 241 N -3.94 5.42 -4.68 0.00 3.02 0.13 -0.58 115.26 114.62 3fy4 n ASN 241 Ca -0.03 -2.78 -0.42 0.00 -0.03 0.00 0.00 54.58 51.32 3fy4 n ASN 241 Cb 0.60 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3fy4 n ASN 241 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3fy4 s PHE 242 N -2.48 1.91 -0.32 3.10 5.36 -0.62 -4.90 117.98 120.03 3fy4 s PHE 242 Ca 0.53 -0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.34 3fy4 s PHE 242 Cb 0.39 -4.20 0.12 0.00 -0.34 0.00 0.00 43.02 38.99 3fy4 s PHE 242 CO 0.18 -5.07 0.17 -1.21 -1.46 0.00 0.00 175.22 167.84 3fy4 s GLU 243 N 3.21 0.39 0.23 10.12 2.02 -1.25 -3.96 118.70 129.46 3fy4 s GLU 243 Ca 0.83 -0.95 -0.10 0.00 0.02 0.00 0.00 54.97 54.77 3fy4 s GLU 243 Cb -0.45 -1.26 0.34 0.00 0.10 0.00 0.00 34.13 32.86 3fy4 s GLU 243 CO 0.38 -1.12 1.38 1.17 0.02 0.00 0.00 175.26 177.09 3fy4 n LYS 244 N 4.62 -0.12 0.31 1.61 0.00 -0.63 -0.77 118.16 123.17 3fy4 n LYS 244 Ca 0.03 1.38 0.18 0.00 0.00 0.00 0.00 58.31 59.90 3fy4 n LYS 244 Cb 0.39 -2.05 0.98 0.00 0.00 0.00 0.00 35.03 34.35 3fy4 n LYS 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 3fy4 h PRO 245 N 0.00 0.00 -0.21 1.64 0.11 -1.97 -2.46 132.00 129.11 3fy4 h PRO 245 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3fy4 h PRO 245 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3fy4 h PRO 245 CO -0.90 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 178.54 3fy4 n LYS 246 N -3.49 1.65 -2.13 1.05 5.02 0.05 -4.93 118.16 115.38 3fy4 n LYS 246 Ca -0.03 -0.98 -0.33 0.00 -2.02 0.00 0.00 58.31 54.95 3fy4 n LYS 246 Cb 0.12 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3fy4 n LYS 246 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3fy4 s GLY 247 N -1.34 2.13 -0.47 0.72 0.00 -0.93 -5.01 107.32 102.43 3fy4 s GLY 247 Ca 0.27 0.37 -0.21 0.00 0.00 0.00 0.00 44.72 45.14 3fy4 s GLY 247 CO 0.21 0.68 0.70 -0.35 0.00 0.00 0.00 173.10 174.33 3fy4 s ASP 248 N -2.80 6.32 0.53 1.64 3.68 -1.26 -4.94 116.67 119.84 3fy4 s ASP 248 Ca 0.63 -0.43 0.30 0.00 2.13 0.00 0.00 52.55 55.18 3fy4 s ASP 248 Cb -0.15 -2.34 1.47 0.00 -1.45 0.00 0.00 42.92 40.46 3fy4 s ASP 248 CO 0.35 -0.88 2.06 1.55 0.13 0.00 0.00 175.17 178.38 3fy4 h PRO 249 N 8.97 0.00 0.00 4.34 0.13 -1.96 -2.78 132.00 140.70 3fy4 h PRO 249 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3fy4 h PRO 249 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3fy4 h PRO 249 CO 0.94 0.10 -0.25 -1.13 -0.23 0.00 0.00 178.00 177.44 3fy4 n SER 250 N -3.47 0.31 -4.55 1.44 3.41 -1.26 -4.65 113.62 104.85 3fy4 n SER 250 Ca -0.01 0.18 -0.39 0.00 -0.26 0.00 0.00 58.87 58.38 3fy4 n SER 250 Cb 0.25 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3fy4 n SER 250 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy4 s ALA 251 N -3.02 2.37 -0.19 7.33 0.00 -1.05 -4.59 121.76 122.61 3fy4 s ALA 251 Ca 0.12 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.38 3fy4 s ALA 251 Cb 0.17 -4.27 -0.18 0.00 0.00 0.00 0.00 23.12 18.84 3fy4 s ALA 251 CO 0.62 -3.64 -0.04 1.97 0.00 0.00 0.00 175.76 174.66 3fy4 n PHE 252 N 11.66 0.00 -0.24 0.00 -1.74 -1.26 -3.65 117.46 122.22 3fy4 n PHE 252 Ca 0.16 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 57.06 3fy4 n PHE 252 Cb 0.51 -0.84 0.24 0.00 1.52 0.00 0.00 39.48 40.91 3fy4 n PHE 252 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 3fy4 h LEU 253 N 0.00 0.89 -6.64 5.98 3.38 -2.02 -3.32 115.31 113.58 3fy4 h LEU 253 Ca -0.47 -0.02 -0.59 0.00 0.09 0.00 0.00 57.88 56.89 3fy4 h LEU 253 Cb 1.93 -0.22 -0.39 0.00 0.09 0.00 0.00 40.66 42.07 3fy4 h LEU 253 CO -0.02 0.63 -0.84 -0.75 0.09 0.00 0.00 178.44 177.55 3fy4 s LYS 254 N -5.88 0.83 0.17 1.13 2.20 -1.26 -5.12 119.74 111.81 3fy4 s LYS 254 Ca -0.11 -1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 53.52 3fy4 s LYS 254 Cb 0.18 -1.60 -0.17 0.00 -1.51 0.00 0.00 37.83 34.73 3fy4 s LYS 254 CO 0.79 -1.24 0.62 -2.30 -0.36 0.00 0.00 175.35 172.86 3fy4 n PRO 255 N 3.64 0.06 0.00 4.03 -0.02 -1.24 -4.83 135.00 136.64 3fy4 n PRO 255 Ca 0.15 0.02 0.08 0.00 -2.02 0.00 0.00 63.50 61.73 3fy4 n PRO 255 Cb 0.39 -1.11 0.41 0.00 -0.02 0.00 0.00 33.50 33.17 3fy4 n PRO 255 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy4 n ALA 256 N 0.24 1.88 -2.42 3.55 0.00 -1.26 -4.81 120.51 117.69 3fy4 n ALA 256 Ca 0.18 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 3fy4 n ALA 256 Cb 0.23 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 3fy4 n ALA 256 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fy4 s THR 257 N -2.69 0.44 0.45 0.00 -4.23 -1.26 -4.86 115.64 103.48 3fy4 s THR 257 Ca 0.14 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 3fy4 s THR 257 Cb 0.11 -2.43 0.25 0.00 1.34 0.00 0.00 72.50 71.78 3fy4 s THR 257 CO 0.27 0.00 2.08 0.71 -0.54 0.00 0.00 174.62 177.14 3fy4 h THR 258 N 1.97 1.07 -3.97 3.99 1.35 -1.91 -3.47 112.91 111.94 3fy4 h THR 258 Ca -0.33 -0.19 -0.38 0.00 -0.55 0.00 0.00 66.41 64.96 3fy4 h THR 258 Cb 1.26 0.78 0.05 0.00 -1.73 0.00 0.00 68.15 68.51 3fy4 h THR 258 CO 0.52 0.08 -0.55 0.52 -0.25 0.00 0.00 175.52 175.84 3fy4 n VAL 259 N -4.48 -1.75 1.20 6.82 0.31 -1.26 -4.84 118.33 114.34 3fy4 n VAL 259 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3fy4 n VAL 259 Cb 0.10 -3.25 0.43 0.00 -0.91 0.00 0.00 33.84 30.20 3fy4 n VAL 259 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3fy4 n MET 260 N -3.66 0.49 -0.37 5.55 2.81 -1.26 -4.38 117.12 116.29 3fy4 n MET 260 Ca -0.12 -0.24 -0.03 0.00 -1.81 0.00 0.00 57.70 55.49 3fy4 n MET 260 Cb 0.62 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3fy4 n MET 260 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3fy4 n SER 261 N -1.04 -0.72 0.20 7.83 2.88 -1.26 -1.21 113.62 120.31 3fy4 n SER 261 Ca 0.10 1.67 0.06 0.00 -1.33 0.00 0.00 58.87 59.37 3fy4 n SER 261 Cb 0.32 -0.34 0.43 0.00 -0.75 0.00 0.00 64.21 63.88 3fy4 n SER 261 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3fy4 h PRO 262 N 0.00 0.00 0.00 -1.46 0.13 -1.84 -2.44 132.00 126.39 3fy4 h PRO 262 Ca 0.28 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.22 3fy4 h PRO 262 Cb 0.52 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 3fy4 h PRO 262 CO -0.93 0.32 -0.90 1.88 -0.23 0.00 0.00 178.00 178.13 3fy4 h TYR 263 N 0.00 0.00 0.00 1.56 -1.99 -1.46 -2.89 116.97 112.19 3fy4 h TYR 263 Ca -0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.63 3fy4 h TYR 263 Cb 0.67 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 3fy4 h TYR 263 CO 0.00 0.90 -0.44 -0.07 -0.00 0.00 0.00 178.16 178.55 3fy4 h LEU 264 N 0.00 0.00 -0.07 3.88 3.38 -1.11 0.50 115.31 121.88 3fy4 h LEU 264 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3fy4 h LEU 264 Cb 1.62 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.38 3fy4 h LEU 264 CO 0.12 0.44 -0.81 0.50 0.09 0.00 0.00 178.44 178.78 3fy4 h LYS 265 N 0.00 0.68 -0.39 1.13 3.11 -1.38 -3.15 116.57 116.57 3fy4 h LYS 265 Ca -0.00 -0.63 0.00 0.00 -2.81 0.00 0.00 60.65 57.21 3fy4 h LYS 265 Cb 1.24 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 3fy4 h LYS 265 CO 0.06 1.23 0.00 1.19 -2.81 0.00 0.00 179.45 179.12 3fy4 n PHE 266 N -3.99 0.52 -1.23 1.91 3.72 -1.10 -4.91 117.46 112.38 3fy4 n PHE 266 Ca -0.09 -0.26 -0.08 0.00 -0.05 0.00 0.00 57.45 56.97 3fy4 n PHE 266 Cb 0.76 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.27 3fy4 n PHE 266 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fy4 n GLY 267 N 1.29 0.93 0.24 1.37 0.00 -0.67 -2.58 105.19 105.78 3fy4 n GLY 267 Ca 0.17 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.95 3fy4 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy4 s LEU 269 N -8.81 1.95 0.32 0.00 2.96 -0.55 -4.30 118.68 110.26 3fy4 s LEU 269 Ca -0.04 -0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 53.10 3fy4 s LEU 269 Cb 0.16 -1.24 -0.10 0.00 0.50 0.00 0.00 46.19 45.52 3fy4 s LEU 269 CO 0.69 0.12 1.23 -0.55 -1.32 0.00 0.00 176.35 176.52 3fy4 s SER 270 N 0.48 6.89 0.11 3.68 0.15 -1.26 -4.51 113.70 119.24 3fy4 s SER 270 Ca -0.17 2.53 0.25 0.00 0.70 0.00 0.00 55.95 59.27 3fy4 s SER 270 Cb -0.17 -2.64 0.56 0.00 -1.71 0.00 0.00 66.02 62.06 3fy4 s SER 270 CO 0.07 -0.43 1.50 -1.54 1.20 0.00 0.00 173.24 174.03 3fy4 n SER 271 N 0.84 0.63 0.05 5.45 3.41 -1.26 -2.95 113.62 119.79 3fy4 n SER 271 Ca 0.00 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.61 3fy4 n SER 271 Cb 0.43 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 3fy4 n SER 271 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fy4 h ARG 272 N 0.00 0.59 -0.10 4.33 -0.00 -1.90 -1.05 114.38 116.26 3fy4 h ARG 272 Ca 0.00 -0.70 -0.01 0.00 -0.50 0.00 0.00 59.98 58.78 3fy4 h ARG 272 Cb 0.68 0.21 -0.00 0.00 0.00 0.00 0.00 29.97 30.86 3fy4 h ARG 272 CO 0.00 1.29 0.04 -0.92 0.00 0.00 0.00 179.97 180.38 3fy4 h TYR 273 N 0.20 0.15 0.04 3.04 3.20 -1.96 0.15 116.97 121.80 3fy4 h TYR 273 Ca -0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.75 3fy4 h TYR 273 Cb 1.67 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.85 3fy4 h TYR 273 CO 0.12 0.26 -0.34 0.35 -1.64 0.00 0.00 178.16 176.91 3fy4 h PHE 274 N 0.00 -0.93 -0.95 -3.82 -0.00 -1.57 0.27 116.94 109.94 3fy4 h PHE 274 Ca 0.03 0.03 0.14 0.00 -0.00 0.00 0.00 57.97 58.17 3fy4 h PHE 274 Cb 0.17 0.40 -0.08 0.00 -0.00 0.00 0.00 35.95 36.44 3fy4 h PHE 274 CO -0.02 -0.43 0.60 -0.92 -0.00 0.00 0.00 178.31 177.54 3fy4 h TYR 275 N -0.52 0.98 -0.43 0.41 3.20 -0.99 -0.79 116.97 118.82 3fy4 h TYR 275 Ca 0.05 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3fy4 h TYR 275 Cb 0.58 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3fy4 h TYR 275 CO -0.34 0.36 -0.18 1.96 -1.64 0.00 0.00 178.16 178.32 3fy4 h GLN 276 N 0.83 0.88 -0.05 1.82 4.20 0.10 -2.10 115.11 120.79 3fy4 h GLN 276 Ca 0.48 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3fy4 h GLN 276 Cb 0.65 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3fy4 h GLN 276 CO -0.25 1.02 0.02 0.00 -0.67 0.00 0.00 178.83 178.95 3fy4 h LEU 278 N 0.05 0.69 -0.17 0.00 3.38 -1.21 -0.88 115.31 117.18 3fy4 h LEU 278 Ca 0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fy4 h LEU 278 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fy4 h LEU 278 CO -0.01 0.40 0.10 -0.61 0.09 0.00 0.00 178.44 178.41 3fy4 h GLN 279 N 0.81 0.20 0.26 1.13 5.75 -0.94 -0.25 115.11 122.06 3fy4 h GLN 279 Ca 0.40 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 3fy4 h GLN 279 Cb 0.34 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 3fy4 h GLN 279 CO -0.24 0.13 -0.24 -0.91 -2.65 0.00 0.00 178.83 174.92 3fy4 h ASN 280 N 0.21 -0.64 0.57 -0.69 2.35 -0.04 -1.68 115.58 115.65 3fy4 h ASN 280 Ca 0.06 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3fy4 h ASN 280 Cb -0.01 0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3fy4 h ASN 280 CO -0.03 -0.35 0.00 2.30 -1.65 0.00 0.00 177.43 177.70 3fy4 n ILE 281 N -5.36 0.88 0.09 2.81 -5.35 -0.45 -1.94 119.36 110.05 3fy4 n ILE 281 Ca -0.09 0.34 -0.17 0.00 -0.27 0.00 0.00 62.75 62.56 3fy4 n ILE 281 Cb 0.27 -1.29 -0.11 0.00 -1.74 0.00 0.00 39.64 36.78 3fy4 n ILE 281 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3fy4 h TYR 282 N 0.00 0.68 0.00 4.28 0.99 -0.14 -3.22 116.97 119.56 3fy4 h TYR 282 Ca 0.00 -0.44 0.00 0.00 2.00 0.00 0.00 58.73 60.29 3fy4 h TYR 282 Cb 0.28 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 37.96 3fy4 h TYR 282 CO 0.00 1.30 -0.19 1.57 -0.00 0.00 0.00 178.16 180.85 3fy4 h LYS 283 N 0.17 0.00 0.00 4.88 2.10 -0.90 -3.25 116.57 119.57 3fy4 h LYS 283 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 3fy4 h LYS 283 Cb 1.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.18 3fy4 h LYS 283 CO 0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 3fy4 n ASP 284 N -2.89 0.64 0.00 7.07 10.43 -0.82 -4.49 116.55 126.49 3fy4 n ASP 284 Ca 0.04 0.59 0.00 0.00 2.57 0.00 0.00 54.79 57.99 3fy4 n ASP 284 Cb 0.52 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.73 3fy4 n ASP 284 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 3fy4 n VAL 285 N -2.13 0.00 0.00 2.53 0.24 -1.23 -5.07 118.33 112.67 3fy4 n VAL 285 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3fy4 n VAL 285 Cb 0.35 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 3fy4 n VAL 285 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3fy4 n LYS 286 N 0.00 0.00 -3.77 7.34 2.85 -1.24 -5.08 118.16 118.26 3fy4 n LYS 286 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 3fy4 n LYS 286 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 3fy4 n LYS 286 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3fy4 s LYS 287 N 0.00 3.08 0.09 -1.58 2.20 -1.26 -5.03 119.74 117.23 3fy4 s LYS 287 Ca 0.00 -0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 54.62 3fy4 s LYS 287 Cb 0.00 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 3fy4 s LYS 287 CO 0.00 -0.44 0.28 -3.38 -0.36 0.00 0.00 175.35 171.45 3fy4 s HIS 288 N 1.49 -0.02 0.79 4.03 -3.43 -1.26 -4.79 115.29 112.10 3fy4 s HIS 288 Ca 0.02 -0.31 -0.11 0.00 -0.80 0.00 0.00 55.06 53.87 3fy4 s HIS 288 Cb -0.17 0.08 0.07 0.00 -1.43 0.00 0.00 32.58 31.12 3fy4 s HIS 288 CO 0.02 -0.58 1.09 0.95 -2.00 0.00 0.00 174.74 174.22 3fy4 s THR 289 N -3.53 3.23 0.40 -5.38 -4.23 0.25 -5.02 115.64 101.35 3fy4 s THR 289 Ca 0.02 0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.97 3fy4 s THR 289 Cb 0.03 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3fy4 s THR 289 CO -0.10 -0.52 0.05 -0.44 -0.54 0.00 0.00 174.62 173.07 3fy4 s SER 290 N -3.40 3.13 0.80 3.99 0.01 -1.26 -4.74 113.70 112.23 3fy4 s SER 290 Ca 0.61 -1.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.27 3fy4 s SER 290 Cb -0.17 0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.20 3fy4 s SER 290 CO 0.56 -0.68 1.13 -2.16 0.41 0.00 0.00 173.24 172.50 3fy4 s PRO 291 N -3.81 1.91 0.20 12.44 0.04 -1.26 -1.19 135.00 143.33 3fy4 s PRO 291 Ca 0.28 1.39 0.09 0.00 0.04 0.00 0.00 61.00 62.81 3fy4 s PRO 291 Cb 0.07 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.83 3fy4 s PRO 291 CO 0.14 -1.94 1.44 -1.00 0.04 0.00 0.00 177.00 175.68 3fy4 h PRO 292 N -1.12 0.00 0.00 0.56 0.13 -2.00 -3.45 132.00 126.12 3fy4 h PRO 292 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3fy4 h PRO 292 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3fy4 h PRO 292 CO 0.48 0.80 0.00 -0.39 -0.23 0.00 0.00 178.00 178.66 3fy4 h VAL 293 N 0.00 0.00 -3.98 1.56 -1.51 -1.88 -3.38 116.25 107.06 3fy4 h VAL 293 Ca -0.01 -0.16 -0.48 0.00 -1.23 0.00 0.00 66.70 64.82 3fy4 h VAL 293 Cb 1.44 0.87 0.17 0.00 -2.13 0.00 0.00 31.29 31.64 3fy4 h VAL 293 CO 0.10 0.00 0.20 -0.94 -1.23 0.00 0.00 177.57 175.71 3fy4 s SER 294 N -4.50 2.96 0.14 4.19 1.04 -0.33 -1.61 113.70 115.59 3fy4 s SER 294 Ca 0.00 1.66 -0.13 0.00 0.48 0.00 0.00 55.95 57.96 3fy4 s SER 294 Cb 0.09 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 3fy4 s SER 294 CO 0.35 -2.99 1.57 0.25 0.98 0.00 0.00 173.24 173.39 3fy4 h LEU 295 N -1.79 0.82 -1.14 2.42 5.85 -1.84 -1.24 115.31 118.40 3fy4 h LEU 295 Ca -0.50 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 57.81 3fy4 h LEU 295 Cb 1.29 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3fy4 h LEU 295 CO 0.51 0.96 -0.22 0.25 -0.34 0.00 0.00 178.44 179.61 3fy4 h LEU 296 N 0.66 0.33 -2.55 2.25 6.46 -1.93 -1.12 115.31 119.41 3fy4 h LEU 296 Ca 0.12 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3fy4 h LEU 296 Cb 0.58 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 3fy4 h LEU 296 CO 0.03 0.56 -0.01 1.23 -0.62 0.00 0.00 178.44 179.63 3fy4 h GLY 297 N 0.95 0.00 1.66 3.75 0.00 -1.48 -1.54 103.07 106.41 3fy4 h GLY 297 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.18 3fy4 h GLY 297 CO 0.04 0.00 -0.88 1.46 0.00 0.00 0.00 176.54 177.16 3fy4 h GLN 298 N 0.00 0.31 0.00 4.80 1.08 -0.42 -2.54 115.11 118.34 3fy4 h GLN 298 Ca -0.00 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 3fy4 h GLN 298 Cb 0.04 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3fy4 h GLN 298 CO 0.00 1.01 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.76 3fy4 h LEU 299 N 0.18 0.00 -0.06 1.46 3.38 -1.27 -1.87 115.31 117.13 3fy4 h LEU 299 Ca -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3fy4 h LEU 299 Cb 1.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3fy4 h LEU 299 CO 0.14 0.06 -0.64 -0.07 0.09 0.00 0.00 178.44 178.02 3fy4 h LEU 300 N 0.00 0.00 -0.47 1.67 4.07 -1.20 -2.61 115.31 116.77 3fy4 h LEU 300 Ca -0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 3fy4 h LEU 300 Cb 0.48 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 3fy4 h LEU 300 CO 0.01 0.64 -0.58 -0.50 -1.08 0.00 0.00 178.44 176.93 3fy4 h TRP 301 N 0.00 0.72 -0.14 1.13 4.06 -0.94 -0.44 115.95 120.34 3fy4 h TRP 301 Ca -0.01 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3fy4 h TRP 301 Cb 1.47 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.49 3fy4 h TRP 301 CO 0.00 1.01 0.09 -0.09 -3.56 0.00 0.00 178.44 175.89 3fy4 h ARG 302 N 0.43 0.18 -0.51 0.49 2.43 -1.46 -2.02 114.38 113.93 3fy4 h ARG 302 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3fy4 h ARG 302 Cb 1.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3fy4 h ARG 302 CO 0.11 0.12 0.30 0.93 -1.51 0.00 0.00 179.97 179.92 3fy4 h GLU 303 N 0.19 0.58 -0.42 0.20 4.39 -1.22 -1.88 114.58 116.42 3fy4 h GLU 303 Ca 0.05 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.77 3fy4 h GLU 303 Cb -0.02 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 3fy4 h GLU 303 CO -0.02 0.38 0.14 0.35 -1.16 0.00 0.00 179.01 178.71 3fy4 h PHE 304 N 0.60 0.25 -0.28 4.33 3.57 -0.67 -1.28 116.94 123.46 3fy4 h PHE 304 Ca 0.21 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 3fy4 h PHE 304 Cb 0.03 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3fy4 h PHE 304 CO -0.07 0.09 -0.51 0.74 -2.23 0.00 0.00 178.31 176.33 3fy4 h PHE 305 N 0.30 1.01 -0.15 0.41 -1.00 -1.20 -1.64 116.94 114.68 3fy4 h PHE 305 Ca 0.20 -0.35 0.01 0.00 2.81 0.00 0.00 57.97 60.64 3fy4 h PHE 305 Cb 0.19 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 3fy4 h PHE 305 CO -0.16 1.15 0.08 1.88 -1.61 0.00 0.00 178.31 179.65 3fy4 h TYR 306 N 0.63 0.15 -0.33 -0.55 0.05 -1.11 0.87 116.97 116.68 3fy4 h TYR 306 Ca 0.02 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3fy4 h TYR 306 Cb 1.10 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 3fy4 h TYR 306 CO 0.06 0.09 0.13 1.15 -1.05 0.00 0.00 178.16 178.55 3fy4 h THR 307 N 0.17 1.18 -0.55 -2.88 2.02 -1.22 0.69 112.91 112.32 3fy4 h THR 307 Ca 0.06 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 3fy4 h THR 307 Cb 0.00 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3fy4 h THR 307 CO -0.03 0.19 0.13 0.74 0.37 0.00 0.00 175.52 176.92 3fy4 h THR 308 N 0.38 1.25 -0.71 3.16 2.02 -1.02 -2.31 112.91 115.68 3fy4 h THR 308 Ca 0.11 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 3fy4 h THR 308 Cb 0.18 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3fy4 h THR 308 CO -0.01 0.32 0.30 0.00 0.37 0.00 0.00 175.52 176.51 3fy4 h ALA 309 N 1.02 0.92 0.00 6.16 0.00 0.10 -2.31 119.26 125.15 3fy4 h ALA 309 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fy4 h ALA 309 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3fy4 h ALA 309 CO 0.00 0.52 -0.17 0.35 0.00 0.00 0.00 179.25 179.95 3fy4 h PHE 310 N 1.00 0.00 -0.27 0.00 3.57 -0.67 -2.91 116.94 117.67 3fy4 h PHE 310 Ca 0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3fy4 h PHE 310 Cb 0.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3fy4 h PHE 310 CO 0.01 0.17 0.00 0.41 -2.23 0.00 0.00 178.31 176.67 3fy4 n GLY 311 N -0.25 1.40 3.08 2.40 0.00 -0.89 -4.87 105.19 106.06 3fy4 n GLY 311 Ca -0.01 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 3fy4 n GLY 311 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fy4 s THR 312 N -1.67 2.30 0.60 2.61 2.01 -0.91 -4.83 115.64 115.75 3fy4 s THR 312 Ca 0.35 -1.66 -0.19 0.00 0.31 0.00 0.00 61.69 60.50 3fy4 s THR 312 Cb 0.22 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 3fy4 s THR 312 CO 0.31 -0.09 1.25 -2.84 -0.69 0.00 0.00 174.62 172.56 3fy4 s PRO 313 N 1.11 2.90 -1.65 4.92 0.02 -1.26 -2.16 135.00 138.88 3fy4 s PRO 313 Ca -0.07 1.95 0.00 0.00 0.02 0.00 0.00 61.00 62.90 3fy4 s PRO 313 Cb -0.20 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3fy4 s PRO 313 CO -0.05 -1.29 0.00 0.09 -0.33 0.00 0.00 177.00 175.42 3fy4 n ASN 314 N -1.56 -4.75 -0.35 2.53 3.02 -1.26 -4.37 115.26 108.52 3fy4 n ASN 314 Ca 0.14 0.26 0.15 0.00 -0.03 0.00 0.00 54.58 55.09 3fy4 n ASN 314 Cb 0.48 -4.14 0.35 0.00 -0.61 0.00 0.00 39.78 35.87 3fy4 n ASN 314 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fy4 h PHE 315 N 0.00 1.05 -0.04 3.10 3.57 -1.76 0.26 116.94 123.12 3fy4 h PHE 315 Ca -0.38 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 3fy4 h PHE 315 Cb 1.20 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3fy4 h PHE 315 CO 0.55 0.16 0.00 -0.40 -2.23 0.00 0.00 178.31 176.39 3fy4 n ASP 316 N -4.82 1.39 -3.54 0.41 3.85 -1.26 -4.83 116.55 107.75 3fy4 n ASP 316 Ca 0.25 -2.06 -0.13 0.00 -0.71 0.00 0.00 54.79 52.14 3fy4 n ASP 316 Cb 0.65 -0.51 -0.04 0.00 -1.35 0.00 0.00 41.12 39.86 3fy4 n ASP 316 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3fy4 s LYS 317 N -1.05 1.10 -0.03 0.11 -2.85 0.08 -5.01 119.74 112.09 3fy4 s LYS 317 Ca 0.03 -0.33 -0.21 0.00 -1.00 0.00 0.00 55.97 54.46 3fy4 s LYS 317 Cb 0.03 0.50 -0.14 0.00 -2.06 0.00 0.00 37.83 36.16 3fy4 s LYS 317 CO 0.01 -0.42 0.90 1.98 0.10 0.00 0.00 175.35 177.92 3fy4 h MET 318 N 2.54 -0.40 -6.25 1.78 1.85 -1.88 -3.37 114.93 109.20 3fy4 h MET 318 Ca -0.32 0.03 -0.56 0.00 -0.61 0.00 0.00 59.70 58.24 3fy4 h MET 318 Cb 1.24 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.34 3fy4 h MET 318 CO 0.41 -0.07 1.09 0.15 -0.40 0.00 0.00 176.91 178.09 3fy4 s LYS 319 N -3.77 4.03 0.00 0.39 1.02 -1.26 -1.92 119.74 118.23 3fy4 s LYS 319 Ca -0.12 1.94 0.00 0.00 0.02 0.00 0.00 55.97 57.82 3fy4 s LYS 319 Cb 0.01 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 3fy4 s LYS 319 CO 0.42 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 3fy4 n GLY 320 N 4.29 0.59 3.58 -3.33 0.00 -1.26 -4.96 105.19 104.10 3fy4 n GLY 320 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3fy4 n GLY 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fy4 s ASN 321 N -1.89 6.50 0.35 1.61 3.84 -0.81 -4.68 114.94 119.86 3fy4 s ASN 321 Ca 0.00 0.20 0.10 0.00 0.21 0.00 0.00 52.86 53.37 3fy4 s ASN 321 Cb 0.00 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 39.02 3fy4 s ASN 321 CO 0.00 -1.38 1.81 -0.09 -2.79 0.00 0.00 177.10 174.64 3fy4 h ARG 322 N 9.42 0.62 -0.02 0.43 2.43 -1.88 -2.63 114.38 122.76 3fy4 h ARG 322 Ca -0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3fy4 h ARG 322 Cb 1.06 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3fy4 h ARG 322 CO 1.16 0.41 -0.20 0.44 -1.51 0.00 0.00 179.97 180.27 3fy4 n ILE 323 N -4.66 0.00 -3.73 1.20 -5.35 -1.26 -4.93 119.36 100.63 3fy4 n ILE 323 Ca 0.22 -0.28 -0.36 0.00 -0.27 0.00 0.00 62.75 62.06 3fy4 n ILE 323 Cb 0.62 0.91 -0.10 0.00 -1.74 0.00 0.00 39.64 39.32 3fy4 n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fy4 s LYS 325 N 1.14 4.12 -0.29 0.00 1.02 0.57 -4.89 119.74 121.41 3fy4 s LYS 325 Ca 0.06 2.58 -0.26 0.00 0.02 0.00 0.00 55.97 58.37 3fy4 s LYS 325 Cb -0.14 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 3fy4 s LYS 325 CO 0.05 -0.61 0.94 -0.65 -0.92 0.00 0.00 175.35 174.16 3fy4 s GLN 326 N -0.96 4.08 -0.03 1.68 -1.52 -1.26 -4.93 119.66 116.72 3fy4 s GLN 326 Ca 0.60 0.94 0.02 0.00 -1.95 0.00 0.00 55.36 54.97 3fy4 s GLN 326 Cb -0.48 -3.70 0.01 0.00 -0.22 0.00 0.00 33.01 28.62 3fy4 s GLN 326 CO 0.52 -0.73 -0.07 0.42 -0.25 0.00 0.00 175.29 175.19 3fy4 s ILE 327 N 3.23 0.66 -1.33 1.08 1.01 -1.26 -4.84 121.20 119.75 3fy4 s ILE 327 Ca 0.39 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 3fy4 s ILE 327 Cb -0.14 -0.61 0.04 0.00 0.01 0.00 0.00 42.46 41.76 3fy4 s ILE 327 CO 0.12 0.22 1.94 -0.81 0.00 0.00 0.00 174.94 176.41 3fy4 n PRO 328 N 3.51 2.89 -1.63 2.79 -0.04 -1.26 -4.96 135.00 136.30 3fy4 n PRO 328 Ca -0.20 -2.91 -0.32 0.00 -0.04 0.00 0.00 63.50 60.02 3fy4 n PRO 328 Cb 0.53 -3.41 0.06 0.00 -0.04 0.00 0.00 33.50 30.64 3fy4 n PRO 328 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3fy4 s TRP 329 N 4.31 2.71 0.78 0.54 0.52 -1.26 -4.98 118.94 121.56 3fy4 s TRP 329 Ca 0.52 1.53 -0.08 0.00 0.02 0.00 0.00 56.10 58.10 3fy4 s TRP 329 Cb 0.08 -3.08 0.12 0.00 -1.15 0.00 0.00 33.47 29.44 3fy4 s TRP 329 CO 0.02 -1.60 1.10 -0.80 0.02 0.00 0.00 176.95 175.70 3fy4 s ASN 330 N -2.98 4.18 -0.01 2.95 0.01 -0.05 -4.79 114.94 114.25 3fy4 s ASN 330 Ca 0.64 0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.96 3fy4 s ASN 330 Cb -0.18 -0.56 -0.00 0.00 0.41 0.00 0.00 41.25 40.92 3fy4 s ASN 330 CO 0.47 -2.01 -0.04 -0.70 -1.51 0.00 0.00 177.10 173.31 3fy4 s GLU 331 N -5.40 0.36 -0.37 -0.60 2.12 -1.26 -2.57 118.70 110.98 3fy4 s GLU 331 Ca 0.66 -0.13 -0.05 0.00 0.36 0.00 0.00 54.97 55.81 3fy4 s GLU 331 Cb -0.07 -0.36 0.20 0.00 0.26 0.00 0.00 34.13 34.16 3fy4 s GLU 331 CO 0.47 0.07 1.01 0.34 -0.54 0.00 0.00 175.26 176.61 3fy4 s ASP 332 N 0.01 -0.54 0.61 -1.70 3.68 -1.26 -5.01 116.67 112.47 3fy4 s ASP 332 Ca 0.00 -0.52 0.25 0.00 2.13 0.00 0.00 52.55 54.41 3fy4 s ASP 332 Cb -0.03 0.70 1.04 0.00 -1.45 0.00 0.00 42.92 43.18 3fy4 s ASP 332 CO -0.00 -0.03 1.48 1.12 0.13 0.00 0.00 175.17 177.87 3fy4 h HIS 333 N 4.79 0.00 -0.01 -5.34 2.07 -1.99 0.55 115.15 115.21 3fy4 h HIS 333 Ca -0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 3fy4 h HIS 333 Cb 1.18 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.17 3fy4 h HIS 333 CO -0.05 0.00 -0.72 0.00 -3.07 0.00 0.00 177.93 174.09 3fy4 h ALA 334 N 0.80 0.11 -0.18 6.11 0.00 -1.98 -1.43 119.26 122.68 3fy4 h ALA 334 Ca 0.33 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3fy4 h ALA 334 Cb 2.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.03 3fy4 h ALA 334 CO -0.00 0.45 -0.35 0.52 0.00 0.00 0.00 179.25 179.87 3fy4 h MET 335 N 0.07 0.56 -0.51 0.00 2.86 -0.38 -1.82 114.93 115.70 3fy4 h MET 335 Ca -0.09 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.21 3fy4 h MET 335 Cb 1.41 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 33.08 3fy4 h MET 335 CO 0.14 0.97 0.33 1.25 1.06 0.00 0.00 176.91 180.66 3fy4 h LEU 336 N 0.21 0.56 -0.50 1.22 5.85 -1.23 -1.89 115.31 119.53 3fy4 h LEU 336 Ca 0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fy4 h LEU 336 Cb 0.95 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3fy4 h LEU 336 CO 0.08 0.40 0.32 0.00 -0.34 0.00 0.00 178.44 178.90 3fy4 h ALA 337 N 1.20 0.64 -0.99 1.25 0.00 -1.23 0.44 119.26 120.56 3fy4 h ALA 337 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3fy4 h ALA 337 Cb -0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 3fy4 h ALA 337 CO -0.06 0.10 0.65 0.00 0.00 0.00 0.00 179.25 179.95 3fy4 h ALA 338 N 1.17 1.35 -0.02 0.00 0.00 -0.95 -0.60 119.26 120.21 3fy4 h ALA 338 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3fy4 h ALA 338 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3fy4 h ALA 338 CO -0.04 0.55 -0.13 2.35 0.00 0.00 0.00 179.25 181.98 3fy4 h TRP 339 N 1.26 0.17 -0.28 0.00 7.01 -0.85 0.46 115.95 123.72 3fy4 h TRP 339 Ca 0.40 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 61.37 3fy4 h TRP 339 Cb 0.01 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 3fy4 h TRP 339 CO -0.00 0.80 0.00 -0.09 -2.79 0.00 0.00 178.44 176.36 3fy4 h ARG 340 N -0.51 0.08 -0.00 2.65 2.43 0.14 -2.32 114.38 116.84 3fy4 h ARG 340 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3fy4 h ARG 340 Cb 0.83 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3fy4 h ARG 340 CO 0.03 0.05 -0.07 -0.25 -1.51 0.00 0.00 179.97 178.22 3fy4 n ASP 341 N -5.16 0.56 -2.11 -3.80 8.00 -0.26 -4.91 116.55 108.88 3fy4 n ASP 341 Ca -0.01 -0.83 -0.06 0.00 0.71 0.00 0.00 54.79 54.60 3fy4 n ASP 341 Cb 0.14 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3fy4 n ASP 341 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fy4 n GLY 342 N 1.20 0.13 1.89 0.44 0.00 -0.87 -4.86 105.19 103.12 3fy4 n GLY 342 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 3fy4 n GLY 342 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fy4 n LYS 343 N -2.16 1.21 0.15 1.61 4.76 0.16 -4.80 118.16 119.09 3fy4 n LYS 343 Ca -0.05 -2.94 0.03 0.00 -2.87 0.00 0.00 58.31 52.48 3fy4 n LYS 343 Cb 0.55 -1.03 0.16 0.00 -1.84 0.00 0.00 35.03 32.88 3fy4 n LYS 343 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3fy4 h THR 344 N 5.17 1.02 0.00 -0.18 1.35 -1.88 -3.46 112.91 114.93 3fy4 h THR 344 Ca -0.10 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 3fy4 h THR 344 Cb 1.52 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3fy4 h THR 344 CO 0.19 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3fy4 n GLY 345 N 0.70 2.47 3.47 5.82 0.00 -1.26 0.19 105.19 116.58 3fy4 n GLY 345 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3fy4 n GLY 345 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fy4 s TYR 346 N -2.38 3.07 0.33 1.61 1.51 -1.26 -4.44 117.35 115.80 3fy4 s TYR 346 Ca 0.00 -0.41 0.12 0.00 -1.01 0.00 0.00 57.07 55.77 3fy4 s TYR 346 Cb 0.00 -3.39 1.05 0.00 -0.11 0.00 0.00 41.96 39.50 3fy4 s TYR 346 CO 0.00 -0.95 1.62 -1.35 -1.11 0.00 0.00 175.55 173.77 3fy4 h PRO 347 N 8.93 0.16 0.40 -1.71 0.11 -1.82 -0.29 132.00 137.77 3fy4 h PRO 347 Ca -0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3fy4 h PRO 347 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fy4 h PRO 347 CO 0.92 0.11 -0.19 2.35 -0.21 0.00 0.00 178.00 180.98 3fy4 h TRP 348 N 0.17 -0.49 -0.32 0.65 -0.00 -1.87 0.24 115.95 114.33 3fy4 h TRP 348 Ca 0.72 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.58 3fy4 h TRP 348 Cb 1.67 0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 30.98 3fy4 h TRP 348 CO -0.12 -0.30 0.16 0.82 -0.00 0.00 0.00 178.44 179.00 3fy4 h ILE 349 N -0.55 1.15 -0.61 2.65 1.08 -1.50 -1.99 117.51 117.73 3fy4 h ILE 349 Ca -0.05 -0.41 -0.06 0.00 -0.39 0.00 0.00 64.86 63.94 3fy4 h ILE 349 Cb 0.42 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 3fy4 h ILE 349 CO 0.09 0.15 0.14 0.44 -0.69 0.00 0.00 178.15 178.28 3fy4 h ASP 350 N 0.38 0.91 -0.71 1.72 3.32 -1.01 -0.74 116.42 120.28 3fy4 h ASP 350 Ca 0.11 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3fy4 h ASP 350 Cb 0.10 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3fy4 h ASP 350 CO -0.02 0.89 0.34 0.00 -1.72 0.00 0.00 179.24 178.73 3fy4 h ALA 351 N 1.23 0.91 -0.23 3.45 0.00 -0.34 -1.57 119.26 122.72 3fy4 h ALA 351 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fy4 h ALA 351 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3fy4 h ALA 351 CO 0.00 0.48 -0.01 0.82 0.00 0.00 0.00 179.25 180.53 3fy4 h ILE 352 N 0.99 1.26 0.00 0.00 2.04 -0.93 -2.07 117.51 118.79 3fy4 h ILE 352 Ca 0.24 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3fy4 h ILE 352 Cb 0.11 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3fy4 h ILE 352 CO -0.03 0.29 -0.07 0.24 0.00 0.00 0.00 178.15 178.58 3fy4 h MET 353 N 0.17 0.00 0.01 2.37 2.86 -0.94 -1.06 114.93 118.34 3fy4 h MET 353 Ca 0.06 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.48 3fy4 h MET 353 Cb 0.43 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3fy4 h MET 353 CO 0.01 0.07 -0.94 0.28 1.06 0.00 0.00 176.91 177.40 3fy4 h VAL 354 N 0.00 1.44 -0.13 -2.22 2.07 -1.00 -2.64 116.25 113.76 3fy4 h VAL 354 Ca -0.00 -2.56 -0.07 0.00 0.82 0.00 0.00 66.70 64.89 3fy4 h VAL 354 Cb 0.16 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3fy4 h VAL 354 CO 0.01 0.75 -0.24 -0.61 0.02 0.00 0.00 177.57 177.50 3fy4 h GLN 355 N 0.18 0.24 0.53 1.57 4.15 -0.52 0.55 115.11 121.79 3fy4 h GLN 355 Ca -0.07 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 3fy4 h GLN 355 Cb 1.58 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.25 3fy4 h GLN 355 CO 0.16 0.47 -0.29 1.25 -1.93 0.00 0.00 178.83 178.49 3fy4 h LEU 356 N 0.21 -0.70 -1.22 -2.39 5.85 -1.18 0.58 115.31 116.46 3fy4 h LEU 356 Ca 0.04 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fy4 h LEU 356 Cb 0.55 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3fy4 h LEU 356 CO 0.04 -0.47 0.28 0.25 -0.34 0.00 0.00 178.44 178.19 3fy4 h LEU 357 N -0.76 0.73 0.06 2.25 5.85 -1.11 0.48 115.31 122.83 3fy4 h LEU 357 Ca -0.07 -0.07 -0.33 0.00 0.84 0.00 0.00 57.88 58.25 3fy4 h LEU 357 Cb 0.60 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3fy4 h LEU 357 CO 0.09 0.63 -1.90 0.29 -0.34 0.00 0.00 178.44 177.21 3fy4 n LYS 358 N -4.36 0.70 -0.10 1.25 5.02 0.15 -4.54 118.16 116.28 3fy4 n LYS 358 Ca 0.05 0.27 -0.10 0.00 -2.02 0.00 0.00 58.31 56.50 3fy4 n LYS 358 Cb 0.13 -1.73 -0.15 0.00 -0.02 0.00 0.00 35.03 33.26 3fy4 n LYS 358 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3fy4 n TRP 359 N -3.26 0.00 -1.32 2.13 7.02 0.20 -3.97 117.44 118.24 3fy4 n TRP 359 Ca -0.26 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.15 3fy4 n TRP 359 Cb 1.05 -0.96 -0.03 0.00 -2.42 0.00 0.00 31.31 28.95 3fy4 n TRP 359 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fy4 n GLY 360 N 1.85 0.82 3.61 6.99 0.00 0.17 -4.71 105.19 113.92 3fy4 n GLY 360 Ca -0.33 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 3fy4 n GLY 360 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fy4 s TRP 361 N -2.27 -0.65 0.04 1.61 -0.00 -1.26 0.08 118.94 116.48 3fy4 s TRP 361 Ca 0.00 1.51 -0.13 0.00 -0.00 0.00 0.00 56.10 57.48 3fy4 s TRP 361 Cb 0.00 0.33 0.02 0.00 -0.00 0.00 0.00 33.47 33.81 3fy4 s TRP 361 CO 0.00 -0.36 0.28 -1.64 -0.00 0.00 0.00 176.95 175.23 3fy4 s MET 362 N 0.02 0.77 0.66 5.86 -1.94 -1.26 -4.52 119.30 118.88 3fy4 s MET 362 Ca -0.01 -0.49 -0.18 0.00 -1.71 0.00 0.00 55.69 53.31 3fy4 s MET 362 Cb -0.04 0.33 -0.01 0.00 2.01 0.00 0.00 34.83 37.12 3fy4 s MET 362 CO 0.00 -0.24 1.21 1.58 -0.01 0.00 0.00 175.02 177.57 3fy4 n HIS 363 N 0.69 1.62 -0.22 -0.03 -0.00 -1.26 -4.72 115.22 111.29 3fy4 n HIS 363 Ca -0.19 0.42 0.01 0.00 0.46 0.00 0.00 57.72 58.41 3fy4 n HIS 363 Cb 0.59 -2.22 0.08 0.00 -0.12 0.00 0.00 29.99 28.32 3fy4 n HIS 363 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 3fy4 h HIS 364 N 0.36 -0.26 -0.83 1.57 2.76 -1.97 -1.00 115.15 115.78 3fy4 h HIS 364 Ca -0.50 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3fy4 h HIS 364 Cb 1.34 0.22 -0.04 0.00 1.55 0.00 0.00 27.41 30.48 3fy4 h HIS 364 CO 0.41 -0.26 0.52 -0.07 -1.30 0.00 0.00 177.93 177.23 3fy4 h LEU 365 N 0.03 0.98 -0.44 0.26 4.07 -1.94 -0.28 115.31 117.99 3fy4 h LEU 365 Ca 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 3fy4 h LEU 365 Cb 0.51 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3fy4 h LEU 365 CO -0.64 0.74 0.23 0.00 -1.08 0.00 0.00 178.44 177.68 3fy4 h ALA 366 N 1.43 0.56 -0.55 1.53 0.00 -1.53 -0.77 119.26 119.94 3fy4 h ALA 366 Ca 0.30 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3fy4 h ALA 366 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3fy4 h ALA 366 CO -0.06 0.11 0.37 0.00 0.00 0.00 0.00 179.25 179.66 3fy4 h ARG 367 N 0.57 0.61 0.69 0.00 3.08 -0.75 -2.37 114.38 116.20 3fy4 h ARG 367 Ca 0.15 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3fy4 h ARG 367 Cb 0.08 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3fy4 h ARG 367 CO -0.02 0.40 -0.34 0.45 -1.07 0.00 0.00 179.97 179.39 3fy4 h HIS 368 N 0.63 -0.89 -0.12 3.04 3.86 0.32 -2.59 115.15 119.40 3fy4 h HIS 368 Ca 0.22 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 3fy4 h HIS 368 Cb 0.10 0.30 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 3fy4 h HIS 368 CO -0.00 -0.55 -0.33 0.00 0.86 0.00 0.00 177.93 177.91 3fy4 h VAL 370 N -0.41 0.99 0.00 0.00 -1.51 -1.58 0.52 116.25 114.27 3fy4 h VAL 370 Ca 0.09 -1.02 -0.22 0.00 -1.23 0.00 0.00 66.70 64.32 3fy4 h VAL 370 Cb 0.56 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3fy4 h VAL 370 CO -0.35 0.27 -0.92 0.00 -1.23 0.00 0.00 177.57 175.34 3fy4 h ALA 371 N 1.72 0.41 0.09 5.19 0.00 -1.03 -2.13 119.26 123.52 3fy4 h ALA 371 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 3fy4 h ALA 371 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3fy4 h ALA 371 CO 0.04 0.85 -0.04 0.00 0.00 0.00 0.00 179.25 180.09 3fy4 h PHE 373 N -0.66 0.65 -0.22 0.00 3.57 -0.95 0.29 116.94 119.62 3fy4 h PHE 373 Ca -0.01 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 3fy4 h PHE 373 Cb 0.53 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3fy4 h PHE 373 CO 0.09 0.11 -0.48 1.25 -2.23 0.00 0.00 178.31 177.05 3fy4 h LEU 374 N 0.53 0.64 0.00 0.59 7.12 -1.38 -0.97 115.31 121.84 3fy4 h LEU 374 Ca 0.45 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 58.15 3fy4 h LEU 374 Cb 0.68 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 3fy4 h LEU 374 CO -0.39 1.02 0.00 0.35 -0.13 0.00 0.00 178.44 179.28 3fy4 n THR 375 N -3.99 0.00 1.49 1.05 -2.24 -0.72 -1.26 114.28 108.60 3fy4 n THR 375 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3fy4 n THR 375 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3fy4 n THR 375 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3fy4 n ARG 376 N 0.00 0.82 -0.11 -0.78 -4.01 -1.23 -0.49 116.66 110.86 3fy4 n ARG 376 Ca 0.00 0.00 -0.21 0.00 -1.04 0.00 0.00 57.85 56.60 3fy4 n ARG 376 Cb 0.00 -1.07 -0.08 0.00 -3.04 0.00 0.00 32.46 28.26 3fy4 n ARG 376 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3fy4 n GLY 377 N 0.28 -0.65 1.91 2.89 0.00 0.94 -4.59 105.19 105.97 3fy4 n GLY 377 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3fy4 n GLY 377 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fy4 n ASP 378 N -4.38 -0.06 0.14 1.61 10.43 -0.87 -3.42 116.55 119.99 3fy4 n ASP 378 Ca -0.36 0.47 -0.01 0.00 2.57 0.00 0.00 54.79 57.46 3fy4 n ASP 378 Cb 0.70 0.35 0.17 0.00 1.84 0.00 0.00 41.12 44.18 3fy4 n ASP 378 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3fy4 h LEU 379 N 0.00 0.01 1.87 0.64 3.38 -1.35 -3.43 115.31 116.44 3fy4 h LEU 379 Ca 0.00 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3fy4 h LEU 379 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fy4 h LEU 379 CO 0.00 0.62 -0.45 0.33 0.09 0.00 0.00 178.44 179.03 3fy4 n PHE 380 N -3.82 -1.03 -2.96 1.13 7.35 0.36 -4.87 117.46 113.63 3fy4 n PHE 380 Ca -0.01 0.12 -0.34 0.00 -0.76 0.00 0.00 57.45 56.46 3fy4 n PHE 380 Cb 0.61 -3.51 -0.06 0.00 0.35 0.00 0.00 39.48 36.87 3fy4 n PHE 380 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3fy4 s ILE 381 N -2.90 4.48 0.21 -2.13 -1.09 -0.39 -0.87 121.20 118.51 3fy4 s ILE 381 Ca 0.07 1.34 -0.32 0.00 -2.23 0.00 0.00 60.65 59.51 3fy4 s ILE 381 Cb -0.03 -3.71 -0.14 0.00 -1.58 0.00 0.00 42.46 37.00 3fy4 s ILE 381 CO 0.09 -0.13 1.40 1.57 -1.23 0.00 0.00 174.94 176.64 3fy4 n HIS 382 N -0.17 2.03 0.25 3.97 -0.00 -1.06 -4.30 115.22 115.94 3fy4 n HIS 382 Ca 0.04 0.45 0.08 0.00 0.46 0.00 0.00 57.72 58.75 3fy4 n HIS 382 Cb 0.53 -2.44 0.62 0.00 -0.12 0.00 0.00 29.99 28.57 3fy4 n HIS 382 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 3fy4 h TRP 383 N 4.41 0.00 -0.02 1.57 5.08 -1.93 0.08 115.95 125.15 3fy4 h TRP 383 Ca -0.45 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.53 3fy4 h TRP 383 Cb 1.28 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.44 3fy4 h TRP 383 CO 0.57 0.10 0.02 0.93 -1.28 0.00 0.00 178.44 178.79 3fy4 h GLU 384 N 0.00 0.00 0.00 0.12 5.08 -1.95 0.21 114.58 118.05 3fy4 h GLU 384 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3fy4 h GLU 384 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3fy4 h GLU 384 CO 0.01 0.00 -0.66 1.96 -1.00 0.00 0.00 179.01 179.32 3fy4 h GLN 385 N 0.00 0.44 -0.41 2.33 1.08 -1.33 -0.85 115.11 116.38 3fy4 h GLN 385 Ca 0.01 -0.48 -0.12 0.00 -1.45 0.00 0.00 58.65 56.61 3fy4 h GLN 385 Cb 0.06 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3fy4 h GLN 385 CO -0.00 1.14 -0.21 0.78 -0.95 0.00 0.00 178.83 179.59 3fy4 h GLY 386 N -0.05 0.87 0.63 3.46 0.00 -1.32 -2.18 103.07 104.48 3fy4 h GLY 386 Ca -0.08 -0.74 0.04 0.00 0.00 0.00 0.00 47.33 46.55 3fy4 h GLY 386 CO 0.13 0.67 0.06 -0.09 0.00 0.00 0.00 176.54 177.31 3fy4 h ARG 387 N 0.70 0.17 -0.80 4.80 1.12 -0.58 0.64 114.38 120.43 3fy4 h ARG 387 Ca 0.10 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.91 3fy4 h ARG 387 Cb 0.73 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.61 3fy4 h ARG 387 CO 0.06 0.11 0.32 -0.44 -3.11 0.00 0.00 179.97 176.91 3fy4 h ASP 388 N 0.17 1.10 -0.30 -3.80 3.45 -0.94 0.28 116.42 116.39 3fy4 h ASP 388 Ca 0.15 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 3fy4 h ASP 388 Cb 0.16 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 3fy4 h ASP 388 CO -0.19 0.97 0.09 0.58 -1.57 0.00 0.00 179.24 179.12 3fy4 h VAL 389 N 1.16 1.20 -0.44 -1.35 2.07 -0.83 -2.94 116.25 115.13 3fy4 h VAL 389 Ca 0.27 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3fy4 h VAL 389 Cb 0.22 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3fy4 h VAL 389 CO -0.02 0.22 0.18 -0.26 0.02 0.00 0.00 177.57 177.71 3fy4 h PHE 390 N 0.32 0.67 -0.89 1.57 -1.00 -0.60 -2.40 116.94 114.60 3fy4 h PHE 390 Ca 0.09 -0.05 0.16 0.00 2.81 0.00 0.00 57.97 60.99 3fy4 h PHE 390 Cb 0.25 -0.20 -0.07 0.00 3.61 0.00 0.00 35.95 39.54 3fy4 h PHE 390 CO 0.01 0.57 0.58 1.49 -1.61 0.00 0.00 178.31 179.35 3fy4 h GLU 391 N 0.57 0.58 0.00 1.51 4.81 -0.27 -0.63 114.58 121.16 3fy4 h GLU 391 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3fy4 h GLU 391 Cb 0.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3fy4 h GLU 391 CO -0.01 0.39 -1.59 2.89 -0.73 0.00 0.00 179.01 179.96 3fy4 n ARG 392 N -4.56 0.55 0.02 1.92 1.85 -1.14 -4.53 116.66 110.77 3fy4 n ARG 392 Ca 0.18 -0.09 -0.22 0.00 -1.00 0.00 0.00 57.85 56.72 3fy4 n ARG 392 Cb 0.54 -1.59 -0.14 0.00 -1.05 0.00 0.00 32.46 30.22 3fy4 n ARG 392 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3fy4 h LEU 393 N 0.00 0.43 -9.73 2.89 4.07 -0.96 1.13 115.31 113.14 3fy4 h LEU 393 Ca 0.00 -0.88 -0.53 0.00 0.08 0.00 0.00 57.88 56.56 3fy4 h LEU 393 Cb 0.93 -0.14 0.07 0.00 1.08 0.00 0.00 40.66 42.59 3fy4 h LEU 393 CO 0.00 1.68 0.88 -0.76 -1.08 0.00 0.00 178.44 179.17 3fy4 s LEU 394 N -7.45 4.36 0.00 1.67 1.43 -0.29 -4.41 118.68 114.00 3fy4 s LEU 394 Ca -0.19 2.83 0.30 0.00 -1.03 0.00 0.00 54.13 56.03 3fy4 s LEU 394 Cb 0.05 -3.62 1.40 0.00 0.03 0.00 0.00 46.19 44.05 3fy4 s LEU 394 CO 0.78 -0.87 2.00 2.30 0.23 0.00 0.00 176.35 180.79 3fy4 n ILE 395 N 2.83 0.00 -1.07 -0.59 -5.35 0.11 -2.70 119.36 112.60 3fy4 n ILE 395 Ca 0.10 -0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.66 3fy4 n ILE 395 Cb 0.38 -0.47 0.22 0.00 -1.74 0.00 0.00 39.64 38.03 3fy4 n ILE 395 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3fy4 n ASP 396 N -1.35 3.32 -4.70 7.28 5.68 -1.26 -4.71 116.55 120.82 3fy4 n ASP 396 Ca 0.12 -3.13 -0.58 0.00 -0.50 0.00 0.00 54.79 50.70 3fy4 n ASP 396 Cb 0.28 -0.53 -0.07 0.00 -1.14 0.00 0.00 41.12 39.66 3fy4 n ASP 396 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3fy4 n SER 397 N -0.82 2.35 -3.91 -1.12 2.88 -1.10 -4.86 113.62 107.04 3fy4 n SER 397 Ca 0.21 1.05 -0.23 0.00 -1.33 0.00 0.00 58.87 58.57 3fy4 n SER 397 Cb 0.84 -1.14 -0.17 0.00 -0.75 0.00 0.00 64.21 63.00 3fy4 n SER 397 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3fy4 s ASP 398 N 3.75 1.47 0.08 -3.46 3.68 -1.26 -5.01 116.67 115.91 3fy4 s ASP 398 Ca 0.99 -0.19 -0.28 0.00 2.13 0.00 0.00 52.55 55.20 3fy4 s ASP 398 Cb -1.08 -0.61 -0.13 0.00 -1.45 0.00 0.00 42.92 39.66 3fy4 s ASP 398 CO 0.66 -0.07 1.45 -0.25 0.13 0.00 0.00 175.17 177.09 3fy4 h TRP 399 N 7.50 -1.20 0.02 -5.34 7.01 -1.99 0.21 115.95 122.16 3fy4 h TRP 399 Ca -0.32 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.72 3fy4 h TRP 399 Cb 1.15 0.50 -0.01 0.00 -2.10 0.00 0.00 29.16 28.70 3fy4 h TRP 399 CO 0.49 -0.51 -0.08 0.00 -2.79 0.00 0.00 178.44 175.56 3fy4 h ALA 400 N -0.86 -0.10 0.06 2.65 0.00 -1.97 -2.28 119.26 116.76 3fy4 h ALA 400 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fy4 h ALA 400 Cb 0.65 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3fy4 h ALA 400 CO -0.17 -0.58 -0.03 0.82 0.00 0.00 0.00 179.25 179.30 3fy4 h ILE 401 N -0.15 1.04 -0.53 0.00 2.04 -1.86 -2.08 117.51 115.97 3fy4 h ILE 401 Ca 0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3fy4 h ILE 401 Cb 0.17 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3fy4 h ILE 401 CO -0.06 0.08 0.28 -1.13 0.00 0.00 0.00 178.15 177.33 3fy4 h ASN 402 N -0.22 0.67 -0.37 1.72 -1.24 -0.59 -0.99 115.58 114.56 3fy4 h ASN 402 Ca -0.01 -0.10 -0.10 0.00 0.71 0.00 0.00 56.30 56.80 3fy4 h ASN 402 Cb 0.20 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 3fy4 h ASN 402 CO 0.01 0.58 -0.16 0.78 -1.29 0.00 0.00 177.43 177.35 3fy4 h ASN 403 N 0.71 0.78 -0.43 1.15 2.35 -1.45 -1.73 115.58 116.95 3fy4 h ASN 403 Ca 0.19 -0.40 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3fy4 h ASN 403 Cb 0.06 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3fy4 h ASN 403 CO -0.03 1.00 0.28 1.23 -1.65 0.00 0.00 177.43 178.26 3fy4 h GLY 404 N 0.55 0.61 1.63 2.83 0.00 -1.23 -1.97 103.07 105.48 3fy4 h GLY 404 Ca 0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3fy4 h GLY 404 CO 0.05 0.21 -0.36 3.43 0.00 0.00 0.00 176.54 179.87 3fy4 h ASN 405 N 0.57 0.43 0.49 0.19 2.35 -1.09 -1.78 115.58 116.75 3fy4 h ASN 405 Ca 0.16 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3fy4 h ASN 405 Cb -0.05 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3fy4 h ASN 405 CO -0.04 0.76 -0.52 -0.50 -1.65 0.00 0.00 177.43 175.48 3fy4 h TRP 406 N 0.35 0.04 0.00 1.19 4.06 -1.10 0.68 115.95 121.17 3fy4 h TRP 406 Ca 0.04 -0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 3fy4 h TRP 406 Cb 0.80 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.94 3fy4 h TRP 406 CO 0.02 0.55 -0.52 0.52 -3.56 0.00 0.00 178.44 175.45 3fy4 h MET 407 N 0.03 0.00 0.10 0.49 2.86 -1.01 -2.05 114.93 115.35 3fy4 h MET 407 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fy4 h MET 407 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3fy4 h MET 407 CO 0.07 0.52 -0.05 2.35 1.06 0.00 0.00 176.91 180.86 3fy4 h TRP 408 N 0.00 -0.12 0.00 -0.22 2.91 -0.76 0.14 115.95 117.90 3fy4 h TRP 408 Ca -0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3fy4 h TRP 408 Cb 1.09 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 3fy4 h TRP 408 CO 0.00 0.40 0.00 -0.07 -1.03 0.00 0.00 178.44 177.74 3fy4 h LEU 409 N -0.83 0.00 -2.34 0.65 -0.00 -0.90 -0.84 115.31 111.05 3fy4 h LEU 409 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3fy4 h LEU 409 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 3fy4 h LEU 409 CO 0.02 0.00 0.00 -1.54 -0.00 0.00 0.00 178.44 176.92 3fy4 n SER 410 N -2.63 3.44 -4.15 -0.43 3.41 -0.77 -4.54 113.62 107.94 3fy4 n SER 410 Ca 0.00 -1.98 -0.34 0.00 -0.26 0.00 0.00 58.87 56.29 3fy4 n SER 410 Cb 0.19 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 3fy4 n SER 410 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy4 n SER 412 N -2.71 0.34 -3.53 0.00 7.64 0.43 -4.83 113.62 110.96 3fy4 n SER 412 Ca 0.04 0.14 -0.09 0.00 1.01 0.00 0.00 58.87 59.97 3fy4 n SER 412 Cb 0.51 1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 64.91 3fy4 n SER 412 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3fy4 s SER 413 N -5.03 -0.39 0.00 6.43 0.15 -0.81 -0.31 113.70 113.73 3fy4 s SER 413 Ca -0.06 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3fy4 s SER 413 Cb 0.11 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 3fy4 s SER 413 CO 0.86 -0.80 0.00 0.49 1.20 0.00 0.00 173.24 174.99 3fy4 n PHE 414 N -0.32 0.00 -4.46 3.44 3.72 -1.26 -3.90 117.46 114.68 3fy4 n PHE 414 Ca -0.11 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.08 3fy4 n PHE 414 Cb 0.62 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.01 3fy4 n PHE 414 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3fy4 s PHE 415 N 0.00 1.10 -0.02 1.38 2.19 -1.26 -5.05 117.98 116.31 3fy4 s PHE 415 Ca 0.00 -0.30 0.04 0.00 0.33 0.00 0.00 56.93 56.99 3fy4 s PHE 415 Cb 0.00 -0.79 0.05 0.00 -1.31 0.00 0.00 43.02 40.97 3fy4 s PHE 415 CO 0.00 -0.14 0.87 0.66 1.83 0.00 0.00 175.22 178.45 3fy4 n TYR 416 N 3.39 0.00 -2.07 10.12 4.02 -1.26 -4.29 117.16 127.07 3fy4 n TYR 416 Ca -0.19 -0.27 -0.41 0.00 -0.01 0.00 0.00 57.90 57.02 3fy4 n TYR 416 Cb 0.53 -0.05 -0.00 0.00 -0.02 0.00 0.00 39.34 39.80 3fy4 n TYR 416 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3fy4 n GLN 417 N -0.35 4.07 0.00 -0.72 6.02 -1.26 -4.76 117.38 120.38 3fy4 n GLN 417 Ca 0.03 -3.36 0.01 0.00 -0.01 0.00 0.00 57.00 53.68 3fy4 n GLN 417 Cb 0.55 -2.79 0.08 0.00 1.02 0.00 0.00 30.24 29.10 3fy4 n GLN 417 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 3fy4 n PHE 418 N 2.89 0.00 1.13 1.08 1.16 -1.26 -1.38 117.46 121.08 3fy4 n PHE 418 Ca 0.54 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 56.23 3fy4 n PHE 418 Cb 0.30 -0.16 0.36 0.00 -1.61 0.00 0.00 39.48 38.36 3fy4 n PHE 418 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3fy4 n ASN 419 N -1.16 1.89 -4.33 5.98 6.94 -1.26 -4.51 115.26 118.81 3fy4 n ASN 419 Ca 0.02 -1.74 -0.47 0.00 -0.02 0.00 0.00 54.58 52.37 3fy4 n ASN 419 Cb 0.02 -0.11 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 3fy4 n ASN 419 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3fy4 s ARG 420 N -1.77 3.68 -0.13 -3.83 3.52 -0.48 -5.04 118.95 114.91 3fy4 s ARG 420 Ca 0.33 -2.57 -0.04 0.00 -0.13 0.00 0.00 55.73 53.32 3fy4 s ARG 420 Cb 0.18 -4.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.10 3fy4 s ARG 420 CO 0.27 -1.28 0.00 0.42 -0.81 0.00 0.00 175.30 173.90 3fy4 s ILE 421 N -0.04 4.26 0.49 4.11 1.01 -1.26 -5.07 121.20 124.70 3fy4 s ILE 421 Ca 0.20 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.40 3fy4 s ILE 421 Cb -0.10 -2.85 -0.08 0.00 0.01 0.00 0.00 42.46 39.45 3fy4 s ILE 421 CO -0.09 0.53 1.08 -0.31 0.00 0.00 0.00 174.94 176.15 3fy4 s TYR 422 N -0.16 2.92 -0.28 3.97 2.02 -1.26 -5.01 117.35 119.54 3fy4 s TYR 422 Ca 0.05 1.57 -0.10 0.00 -0.37 0.00 0.00 57.07 58.22 3fy4 s TYR 422 Cb -0.13 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.24 3fy4 s TYR 422 CO 0.02 -1.08 0.14 0.45 -1.57 0.00 0.00 175.55 173.52 3fy4 s SER 423 N -1.83 5.60 0.62 2.29 0.15 -1.26 -4.92 113.70 114.35 3fy4 s SER 423 Ca 0.68 -0.25 0.31 0.00 0.70 0.00 0.00 55.95 57.39 3fy4 s SER 423 Cb -0.20 -2.02 1.74 0.00 -1.71 0.00 0.00 66.02 63.82 3fy4 s SER 423 CO 0.24 -0.10 2.06 -0.65 1.20 0.00 0.00 173.24 175.99 3fy4 h PRO 424 N 8.33 0.00 0.00 5.44 0.11 -1.95 -2.58 132.00 141.35 3fy4 h PRO 424 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3fy4 h PRO 424 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fy4 h PRO 424 CO 0.58 0.00 -0.59 -0.89 -0.21 0.00 0.00 178.00 176.90 3fy4 n ILE 425 N -3.44 1.43 0.32 4.15 5.41 -1.26 -4.45 119.36 121.52 3fy4 n ILE 425 Ca 0.01 0.21 0.12 0.00 1.00 0.00 0.00 62.75 64.09 3fy4 n ILE 425 Cb 0.35 -2.39 0.18 0.00 -0.71 0.00 0.00 39.64 37.07 3fy4 n ILE 425 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3fy4 h SER 426 N -1.00 0.00 0.14 4.38 4.64 -1.93 -3.39 113.55 116.39 3fy4 h SER 426 Ca -0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3fy4 h SER 426 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3fy4 h SER 426 CO -0.00 0.02 -0.07 0.15 -0.87 0.00 0.00 176.83 176.05 3fy4 h PHE 427 N 0.00 -0.18 -0.80 4.77 3.57 -1.75 -3.09 116.94 119.46 3fy4 h PHE 427 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3fy4 h PHE 427 Cb 0.91 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 3fy4 h PHE 427 CO 0.00 0.01 0.52 0.78 -2.23 0.00 0.00 178.31 177.39 3fy4 h GLY 428 N -0.33 1.05 0.66 2.40 0.00 -1.81 -2.08 103.07 102.96 3fy4 h GLY 428 Ca -0.02 -0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.12 3fy4 h GLY 428 CO 0.03 0.17 0.58 0.50 0.00 0.00 0.00 176.54 177.82 3fy4 h LYS 429 N 0.73 0.81 -0.44 4.80 1.57 -1.75 0.17 116.57 122.46 3fy4 h LYS 429 Ca 0.37 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.23 3fy4 h LYS 429 Cb 0.46 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3fy4 h LYS 429 CO -0.14 0.54 0.65 -0.22 -0.57 0.00 0.00 179.45 179.71 3fy4 h LYS 430 N 0.83 0.00 0.00 3.15 3.64 -1.39 -2.99 116.57 119.82 3fy4 h LYS 430 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3fy4 h LYS 430 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3fy4 h LYS 430 CO -0.19 0.00 -0.89 0.66 -2.27 0.00 0.00 179.45 176.76 3fy4 n TYR 431 N -3.33 0.00 -3.30 1.91 4.02 -0.19 -4.93 117.16 111.35 3fy4 n TYR 431 Ca 0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.72 3fy4 n TYR 431 Cb 0.82 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.06 3fy4 n TYR 431 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3fy4 n ASP 432 N -2.07 1.11 -0.08 7.72 4.64 0.44 -4.94 116.55 123.36 3fy4 n ASP 432 Ca 0.00 -2.87 0.04 0.00 -1.38 0.00 0.00 54.79 50.58 3fy4 n ASP 432 Cb 0.45 -0.64 0.38 0.00 -1.04 0.00 0.00 41.12 40.26 3fy4 n ASP 432 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3fy4 h PRO 433 N 4.27 0.66 0.00 -0.67 0.13 -1.75 0.97 132.00 135.62 3fy4 h PRO 433 Ca 0.13 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 3fy4 h PRO 433 Cb 0.82 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3fy4 h PRO 433 CO 0.55 0.44 -0.25 -0.44 -0.23 0.00 0.00 178.00 178.07 3fy4 h ASP 434 N 0.68 0.00 -0.61 1.44 5.19 -1.92 -3.47 116.42 117.73 3fy4 h ASP 434 Ca 0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3fy4 h ASP 434 Cb -0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3fy4 h ASP 434 CO -0.05 0.25 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 3fy4 n GLY 435 N -0.29 0.80 0.21 2.75 0.00 0.34 -4.66 105.19 104.34 3fy4 n GLY 435 Ca -0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 3fy4 n GLY 435 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fy4 h LYS 436 N 0.00 0.62 0.04 1.61 1.57 -1.91 -2.00 116.57 116.50 3fy4 h LYS 436 Ca 0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3fy4 h LYS 436 Cb 0.92 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3fy4 h LYS 436 CO 0.00 0.41 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.23 3fy4 h TYR 437 N 0.64 -0.37 0.20 -1.35 3.20 -1.92 -1.65 116.97 115.73 3fy4 h TYR 437 Ca 0.19 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3fy4 h TYR 437 Cb -0.03 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3fy4 h TYR 437 CO -0.05 -0.22 -0.31 0.82 -1.64 0.00 0.00 178.16 176.76 3fy4 h ILE 438 N -0.26 0.33 -0.84 1.81 2.04 -1.87 -2.12 117.51 116.61 3fy4 h ILE 438 Ca 0.04 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.05 3fy4 h ILE 438 Cb 0.30 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 36.62 3fy4 h ILE 438 CO -0.12 0.00 0.41 0.03 0.00 0.00 0.00 178.15 178.48 3fy4 h ARG 439 N -0.59 0.56 0.42 2.37 3.08 -1.25 0.60 114.38 119.58 3fy4 h ARG 439 Ca 0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3fy4 h ARG 439 Cb 0.58 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3fy4 h ARG 439 CO -0.13 0.37 -0.20 1.25 -1.07 0.00 0.00 179.97 180.19 3fy4 h HIS 440 N 0.58 -0.52 0.00 3.04 2.76 -0.85 -2.64 115.15 117.52 3fy4 h HIS 440 Ca 0.46 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.62 3fy4 h HIS 440 Cb 0.68 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.81 3fy4 h HIS 440 CO -0.11 -0.27 -0.23 0.74 -1.30 0.00 0.00 177.93 176.76 3fy4 h PHE 441 N -0.65 0.00 -2.19 5.26 0.04 -1.04 -3.36 116.94 115.00 3fy4 h PHE 441 Ca -0.06 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.13 3fy4 h PHE 441 Cb 0.48 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 38.22 3fy4 h PHE 441 CO -0.03 0.00 -0.69 1.28 -0.60 0.00 0.00 178.31 178.27 3fy4 n LEU 442 N -2.90 3.46 0.11 1.54 4.77 0.21 -4.93 117.00 119.25 3fy4 n LEU 442 Ca 0.03 -5.42 0.06 0.00 -0.03 0.00 0.00 56.01 50.66 3fy4 n LEU 442 Cb 0.52 -0.43 0.34 0.00 -2.33 0.00 0.00 43.42 41.53 3fy4 n LEU 442 CO 0.35 2.16 0.71 -0.81 -1.33 0.00 0.00 177.39 178.47 3fy4 n PRO 443 N 0.54 0.08 0.26 3.23 -0.04 -1.00 -1.09 135.00 136.98 3fy4 n PRO 443 Ca 0.29 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 64.43 3fy4 n PRO 443 Cb 0.43 -1.84 0.71 0.00 -0.04 0.00 0.00 33.50 32.76 3fy4 n PRO 443 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3fy4 h VAL 444 N 0.00 0.64 -0.60 0.52 3.04 -1.92 0.13 116.25 118.07 3fy4 h VAL 444 Ca 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3fy4 h VAL 444 Cb 0.15 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 3fy4 h VAL 444 CO 0.00 0.12 0.00 0.18 -1.01 0.00 0.00 177.57 176.86 3fy4 n LEU 445 N -3.76 4.70 -0.32 3.16 4.77 -0.25 -4.65 117.00 120.64 3fy4 n LEU 445 Ca -0.02 -2.50 0.15 0.00 -0.03 0.00 0.00 56.01 53.61 3fy4 n LEU 445 Cb 0.22 -0.57 0.31 0.00 -2.33 0.00 0.00 43.42 41.06 3fy4 n LEU 445 CO 0.31 0.79 0.89 0.50 -1.33 0.00 0.00 177.39 178.54 3fy4 h LYS 446 N 3.81 0.09 -0.01 3.23 3.64 -0.78 -2.30 116.57 124.25 3fy4 h LYS 446 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3fy4 h LYS 446 Cb 1.46 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 3fy4 h LYS 446 CO 0.24 0.06 -0.53 -0.25 -2.27 0.00 0.00 179.45 176.70 3fy4 n ASP 447 N -5.35 1.90 -4.68 4.20 10.43 -1.26 -4.97 116.55 116.82 3fy4 n ASP 447 Ca 0.23 -1.45 -0.45 0.00 2.57 0.00 0.00 54.79 55.70 3fy4 n ASP 447 Cb 0.77 0.52 -0.03 0.00 1.84 0.00 0.00 41.12 44.22 3fy4 n ASP 447 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 3fy4 n MET 448 N -0.19 2.20 -2.11 -1.24 1.56 -0.87 -4.82 117.12 111.65 3fy4 n MET 448 Ca 0.09 0.79 -0.41 0.00 -0.27 0.00 0.00 57.70 57.89 3fy4 n MET 448 Cb 0.45 -2.51 -0.03 0.00 2.15 0.00 0.00 33.22 33.29 3fy4 n MET 448 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3fy4 s PRO 449 N 0.16 4.33 0.57 2.12 0.04 -1.26 -4.69 135.00 136.26 3fy4 s PRO 449 Ca 0.72 2.19 0.42 0.00 0.04 0.00 0.00 61.00 64.37 3fy4 s PRO 449 Cb -0.63 -3.15 1.52 0.00 0.04 0.00 0.00 34.50 32.28 3fy4 s PRO 449 CO 0.44 -0.33 1.57 1.57 0.04 0.00 0.00 177.00 180.29 3fy4 h LYS 450 N 5.11 0.00 0.00 4.56 2.10 -1.91 0.45 116.57 126.88 3fy4 h LYS 450 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3fy4 h LYS 450 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3fy4 h LYS 450 CO 0.77 0.00 0.00 0.37 -2.00 0.00 0.00 179.45 178.59 3fy4 h GLN 451 N 0.00 0.00 0.00 0.07 4.15 -1.90 -3.13 115.11 114.30 3fy4 h GLN 451 Ca 0.75 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.17 3fy4 h GLN 451 Cb 3.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.92 3fy4 h GLN 451 CO -0.01 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.55 3fy4 n TYR 452 N -2.69 0.00 -0.46 3.99 4.02 0.16 -4.84 117.16 117.34 3fy4 n TYR 452 Ca -0.02 0.00 0.42 0.00 -0.01 0.00 0.00 57.90 58.29 3fy4 n TYR 452 Cb 0.08 0.00 0.73 0.00 -0.02 0.00 0.00 39.34 40.13 3fy4 n TYR 452 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3fy4 h ILE 453 N 0.02 0.13 -0.02 -0.72 6.09 -1.43 1.44 117.51 123.02 3fy4 h ILE 453 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3fy4 h ILE 453 Cb 0.01 0.15 0.00 0.00 0.47 0.00 0.00 36.82 37.45 3fy4 h ILE 453 CO 0.00 0.00 -0.28 -1.22 -3.07 0.00 0.00 178.15 173.58 3fy4 n TYR 454 N -3.85 0.00 -2.86 2.19 4.02 -1.26 -4.56 117.16 110.84 3fy4 n TYR 454 Ca 0.33 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 58.10 3fy4 n TYR 454 Cb 1.63 -0.02 0.04 0.00 -0.02 0.00 0.00 39.34 40.98 3fy4 n TYR 454 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3fy4 n GLU 455 N 0.24 0.91 0.10 -0.72 0.28 0.48 -4.52 120.64 117.42 3fy4 n GLU 455 Ca 0.12 -2.25 0.20 0.00 -0.16 0.00 0.00 57.16 55.07 3fy4 n GLU 455 Cb 0.47 -1.29 0.74 0.00 1.43 0.00 0.00 31.44 32.80 3fy4 n GLU 455 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3fy4 h PRO 456 N 3.39 0.00 0.00 3.44 0.13 -1.46 0.44 132.00 137.94 3fy4 h PRO 456 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3fy4 h PRO 456 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3fy4 h PRO 456 CO 0.28 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.38 3fy4 n TRP 457 N -3.62 0.12 0.87 1.56 2.14 -1.26 -2.02 117.44 115.23 3fy4 n TRP 457 Ca 0.07 0.05 0.10 0.00 2.07 0.00 0.00 57.50 59.78 3fy4 n TRP 457 Cb 0.63 -0.58 -0.01 0.00 -0.81 0.00 0.00 31.31 30.54 3fy4 n TRP 457 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3fy4 n THR 458 N -1.61 0.00 -2.30 -1.67 -2.24 0.15 -4.94 114.28 101.67 3fy4 n THR 458 Ca 0.03 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 3fy4 n THR 458 Cb 0.18 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 3fy4 n THR 458 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy4 s ALA 459 N -2.28 3.49 0.28 6.98 0.00 -0.86 -4.94 121.76 124.43 3fy4 s ALA 459 Ca 0.15 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3fy4 s ALA 459 Cb 0.16 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.65 3fy4 s ALA 459 CO 0.53 -0.52 1.16 -2.30 0.00 0.00 0.00 175.76 174.63 3fy4 n PRO 460 N 3.94 1.63 -0.52 0.00 -0.02 -1.26 -4.67 135.00 134.09 3fy4 n PRO 460 Ca 0.10 0.57 0.42 0.00 -2.02 0.00 0.00 63.50 62.58 3fy4 n PRO 460 Cb 0.44 -2.06 0.73 0.00 -0.02 0.00 0.00 33.50 32.60 3fy4 n PRO 460 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fy4 h LEU 461 N 2.65 0.12 -0.20 2.45 7.12 -1.96 0.64 115.31 126.12 3fy4 h LEU 461 Ca -0.42 0.06 -0.18 0.00 0.13 0.00 0.00 57.88 57.47 3fy4 h LEU 461 Cb 1.32 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 3fy4 h LEU 461 CO 0.65 -0.07 -0.56 0.77 -0.13 0.00 0.00 178.44 179.09 3fy4 h SER 462 N 0.05 0.84 -0.60 1.25 4.64 -2.00 -2.80 113.55 114.93 3fy4 h SER 462 Ca 0.81 -0.58 0.03 0.00 -0.47 0.00 0.00 61.79 61.58 3fy4 h SER 462 Cb 2.93 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 64.74 3fy4 h SER 462 CO -0.19 1.27 0.37 0.58 -0.87 0.00 0.00 176.83 177.99 3fy4 h VAL 463 N 0.46 1.07 0.01 0.95 2.07 -0.05 -2.31 116.25 118.45 3fy4 h VAL 463 Ca -0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3fy4 h VAL 463 Cb 1.18 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3fy4 h VAL 463 CO 0.12 0.13 -0.01 1.56 0.02 0.00 0.00 177.57 179.39 3fy4 h GLN 464 N 0.72 -0.02 -1.34 1.57 4.20 -1.37 0.36 115.11 119.23 3fy4 h GLN 464 Ca 0.24 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.35 3fy4 h GLN 464 Cb 0.02 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 3fy4 h GLN 464 CO -0.10 -0.01 0.92 1.79 -0.67 0.00 0.00 178.83 180.76 3fy4 h THR 465 N -0.02 0.29 0.16 -0.54 1.35 -1.46 0.96 112.91 113.65 3fy4 h THR 465 Ca -0.00 -0.03 -0.29 0.00 -0.55 0.00 0.00 66.41 65.53 3fy4 h THR 465 Cb 0.02 0.18 0.02 0.00 -1.73 0.00 0.00 68.15 66.63 3fy4 h THR 465 CO -0.00 0.02 -1.31 0.50 -0.25 0.00 0.00 175.52 174.48 3fy4 h LYS 466 N 0.10 0.38 0.00 4.72 3.11 -1.07 -2.88 116.57 120.93 3fy4 h LYS 466 Ca 0.70 -0.63 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 3fy4 h LYS 466 Cb 2.47 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 33.93 3fy4 h LYS 466 CO -0.17 1.29 0.00 0.00 -2.81 0.00 0.00 179.45 177.77 3fy4 n ALA 467 N -2.60 2.53 -3.74 5.00 0.00 0.29 -4.88 120.51 117.12 3fy4 n ALA 467 Ca -0.11 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 3fy4 n ALA 467 Cb 1.04 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 19.07 3fy4 n ALA 467 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3fy4 n ASN 468 N -0.99 -1.30 -3.21 0.00 5.15 0.12 -4.46 115.26 110.57 3fy4 n ASN 468 Ca 0.20 -0.83 -0.01 0.00 -0.60 0.00 0.00 54.58 53.34 3fy4 n ASN 468 Cb 0.09 -3.96 -0.03 0.00 -0.53 0.00 0.00 39.78 35.36 3fy4 n ASN 468 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fy4 s ILE 470 N 2.73 4.67 -0.01 0.00 1.01 -1.26 -4.39 121.20 123.96 3fy4 s ILE 470 Ca 0.13 -0.64 -0.34 0.00 0.00 0.00 0.00 60.65 59.80 3fy4 s ILE 470 Cb -0.12 -3.51 -0.13 0.00 0.01 0.00 0.00 42.46 38.71 3fy4 s ILE 470 CO -0.25 -0.11 1.77 0.52 0.00 0.00 0.00 174.94 176.87 3fy4 n VAL 471 N 5.01 0.38 0.00 2.92 0.31 -1.25 -0.74 118.33 124.95 3fy4 n VAL 471 Ca -0.13 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3fy4 n VAL 471 Cb 0.48 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3fy4 n VAL 471 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fy4 n GLY 472 N 4.05 1.96 1.19 2.92 0.00 0.60 -4.87 105.19 111.02 3fy4 n GLY 472 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3fy4 n GLY 472 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fy4 n LYS 473 N -1.21 0.00 0.03 1.61 4.81 0.08 -4.91 118.16 118.57 3fy4 n LYS 473 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 3fy4 n LYS 473 Cb 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 35.03 34.65 3fy4 n LYS 473 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3fy4 h ASP 474 N 0.00 0.40 -3.38 3.14 3.32 -1.61 -3.46 116.42 114.84 3fy4 h ASP 474 Ca 0.00 -0.72 -0.45 0.00 0.02 0.00 0.00 57.03 55.88 3fy4 h ASP 474 Cb 0.00 -0.13 -0.35 0.00 0.22 0.00 0.00 39.33 39.07 3fy4 h ASP 474 CO 0.00 1.62 -0.79 -0.47 -1.72 0.00 0.00 179.24 177.89 3fy4 s TYR 475 N -2.58 1.01 0.98 4.55 5.04 -1.23 -4.97 117.35 120.15 3fy4 s TYR 475 Ca -0.15 -0.36 -0.12 0.00 -2.44 0.00 0.00 57.07 54.00 3fy4 s TYR 475 Cb 0.07 -0.86 0.14 0.00 0.35 0.00 0.00 41.96 41.65 3fy4 s TYR 475 CO 0.82 -0.28 0.83 -0.35 -1.34 0.00 0.00 175.55 175.23 3fy4 n PRO 476 N 4.28 -0.82 -3.72 4.97 -0.04 -1.26 -0.29 135.00 138.12 3fy4 n PRO 476 Ca -0.20 -0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 62.84 3fy4 n PRO 476 Cb 0.51 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 3fy4 n PRO 476 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3fy4 s LYS 477 N -4.22 3.47 -0.50 0.54 -2.85 -1.26 -4.52 119.74 110.40 3fy4 s LYS 477 Ca 0.63 -0.53 -0.47 0.00 -1.00 0.00 0.00 55.97 54.61 3fy4 s LYS 477 Cb -0.22 -2.81 -0.20 0.00 -2.06 0.00 0.00 37.83 32.55 3fy4 s LYS 477 CO 0.62 0.33 1.65 -2.30 0.10 0.00 0.00 175.35 175.75 3fy4 n PRO 478 N -1.36 0.02 0.21 1.78 -0.02 -1.26 -4.34 135.00 130.02 3fy4 n PRO 478 Ca -0.07 0.01 0.15 0.00 -2.02 0.00 0.00 63.50 61.57 3fy4 n PRO 478 Cb 0.56 -1.51 0.66 0.00 -0.02 0.00 0.00 33.50 33.19 3fy4 n PRO 478 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy4 h MET 479 N 5.36 0.00 -2.62 -0.52 -0.00 -0.58 -3.44 114.93 113.14 3fy4 h MET 479 Ca -0.41 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.30 3fy4 h MET 479 Cb 1.37 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.83 3fy4 h MET 479 CO 0.99 0.00 0.29 0.54 -0.00 0.00 0.00 176.91 178.73 3fy4 s VAL 480 N -3.56 0.00 -0.38 -0.10 0.11 -1.26 -5.13 120.40 110.07 3fy4 s VAL 480 Ca 0.01 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 3fy4 s VAL 480 Cb 0.09 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 3fy4 s VAL 480 CO 0.41 0.00 0.38 -0.76 -3.33 0.00 0.00 175.10 171.80 3fy4 s LEU 481 N -2.38 4.70 0.06 2.54 1.02 -1.26 -5.00 118.68 118.37 3fy4 s LEU 481 Ca -0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 53.53 3fy4 s LEU 481 Cb -0.01 -2.33 -0.03 0.00 0.02 0.00 0.00 46.19 43.85 3fy4 s LEU 481 CO -0.08 -0.45 1.06 1.57 0.02 0.00 0.00 176.35 178.47 3fy4 n HIS 482 N 5.43 -0.16 -0.09 0.29 -0.00 -1.26 -1.54 115.22 117.89 3fy4 n HIS 482 Ca -0.09 0.46 -0.03 0.00 0.46 0.00 0.00 57.72 58.53 3fy4 n HIS 482 Cb 0.48 -0.49 -0.02 0.00 -0.12 0.00 0.00 29.99 29.84 3fy4 n HIS 482 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3fy4 h ASP 483 N 0.00 -0.48 -0.14 0.26 3.45 -1.97 0.40 116.42 117.94 3fy4 h ASP 483 Ca 0.06 0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.62 3fy4 h ASP 483 Cb 0.15 0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 3fy4 h ASP 483 CO -0.35 -0.05 -0.02 0.77 -1.57 0.00 0.00 179.24 178.02 3fy4 h SER 484 N -0.01 -0.09 -0.00 6.45 4.64 -1.96 -1.61 113.55 120.96 3fy4 h SER 484 Ca 0.03 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3fy4 h SER 484 Cb 0.10 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3fy4 h SER 484 CO -0.20 -0.03 -0.51 0.00 -0.87 0.00 0.00 176.83 175.21 3fy4 h ALA 485 N 1.13 -0.93 0.00 5.18 0.00 -0.55 0.66 119.26 124.74 3fy4 h ALA 485 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fy4 h ALA 485 Cb 0.09 0.94 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3fy4 h ALA 485 CO -0.13 -1.09 -0.05 0.66 0.00 0.00 0.00 179.25 178.64 3fy4 h SER 486 N -0.64 0.00 0.71 0.00 4.64 -0.18 0.11 113.55 118.18 3fy4 h SER 486 Ca 0.01 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 3fy4 h SER 486 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3fy4 h SER 486 CO -0.34 0.05 -0.87 0.50 -0.87 0.00 0.00 176.83 175.30 3fy4 h LYS 487 N 0.00 0.10 0.04 4.77 3.64 -0.23 -1.09 116.57 123.81 3fy4 h LYS 487 Ca -0.00 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 59.03 3fy4 h LYS 487 Cb 0.15 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3fy4 h LYS 487 CO 0.01 0.91 -1.02 1.49 -2.27 0.00 0.00 179.45 178.56 3fy4 h GLU 488 N 0.05 0.29 -0.14 1.90 4.57 0.44 -2.56 114.58 119.13 3fy4 h GLU 488 Ca -0.03 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 3fy4 h GLU 488 Cb 1.51 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.22 3fy4 h GLU 488 CO 0.12 1.10 0.00 0.00 -1.18 0.00 0.00 179.01 179.05 3fy4 h LYS 490 N -0.01 0.00 0.19 0.00 1.57 -1.21 0.35 116.57 117.47 3fy4 h LYS 490 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3fy4 h LYS 490 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3fy4 h LYS 490 CO 0.01 0.00 -0.09 -0.09 -0.57 0.00 0.00 179.45 178.71 3fy4 h ARG 491 N 0.00 -0.24 -0.35 3.15 2.43 -0.99 -2.58 114.38 115.80 3fy4 h ARG 491 Ca 0.01 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3fy4 h ARG 491 Cb 0.07 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 3fy4 h ARG 491 CO -0.00 -0.10 0.04 0.87 -1.51 0.00 0.00 179.97 179.26 3fy4 h LYS 492 N -1.05 0.14 -0.96 0.20 1.57 -0.88 0.30 116.57 115.88 3fy4 h LYS 492 Ca -0.03 -0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.94 3fy4 h LYS 492 Cb 0.25 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 3fy4 h LYS 492 CO 0.04 0.09 0.61 0.52 -0.57 0.00 0.00 179.45 180.15 3fy4 h MET 493 N 0.14 0.55 0.14 3.15 2.86 -0.41 0.51 114.93 121.88 3fy4 h MET 493 Ca 0.17 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3fy4 h MET 493 Cb 0.21 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3fy4 h MET 493 CO -0.25 0.36 -0.07 0.78 1.06 0.00 0.00 176.91 178.80 3fy4 h GLY 494 N 0.57 -0.20 2.00 8.32 0.00 -0.53 -2.04 103.07 111.19 3fy4 h GLY 494 Ca 0.52 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.86 3fy4 h GLY 494 CO -0.26 -0.07 -0.31 0.83 0.00 0.00 0.00 176.54 176.73 3fy4 h GLU 495 N -0.43 0.00 -0.13 4.80 5.08 -0.71 -1.28 114.58 121.90 3fy4 h GLU 495 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3fy4 h GLU 495 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3fy4 h GLU 495 CO 0.03 0.31 -0.02 0.00 -1.00 0.00 0.00 179.01 178.33 3fy4 h ALA 496 N 1.69 0.18 -0.88 3.43 0.00 -0.85 -1.88 119.26 120.96 3fy4 h ALA 496 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3fy4 h ALA 496 Cb 0.66 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3fy4 h ALA 496 CO 0.04 -0.09 0.49 1.88 0.00 0.00 0.00 179.25 181.57 3fy4 h TYR 497 N -0.05 1.20 -0.39 0.00 -1.99 -1.13 -0.91 116.97 113.70 3fy4 h TYR 497 Ca 0.03 -0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.81 3fy4 h TYR 497 Cb 0.43 -0.39 -0.07 0.00 2.00 0.00 0.00 36.73 38.70 3fy4 h TYR 497 CO 0.05 0.83 -0.05 0.00 -0.00 0.00 0.00 178.16 178.98 3fy4 h ALA 498 N 1.30 0.31 -0.33 3.88 0.00 -0.97 0.84 119.26 124.29 3fy4 h ALA 498 Ca 0.31 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 3fy4 h ALA 498 Cb 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fy4 h ALA 498 CO -0.05 -0.43 0.11 1.25 0.00 0.00 0.00 179.25 180.13 3fy4 h LEU 499 N 0.05 0.47 -1.18 0.00 5.85 -0.87 -0.55 115.31 119.08 3fy4 h LEU 499 Ca 0.19 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3fy4 h LEU 499 Cb 0.28 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3fy4 h LEU 499 CO -0.36 0.54 0.57 0.78 -0.34 0.00 0.00 178.44 179.63 3fy4 h ASN 500 N 0.37 0.90 -0.05 1.25 2.35 -0.50 -1.36 115.58 118.54 3fy4 h ASN 500 Ca 0.11 -0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.63 3fy4 h ASN 500 Cb 0.23 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.42 3fy4 h ASN 500 CO -0.00 0.60 -0.81 0.50 -1.65 0.00 0.00 177.43 176.06 3fy4 h LYS 501 N 1.03 0.71 -0.01 0.81 3.64 -0.57 0.03 116.57 122.22 3fy4 h LYS 501 Ca 0.36 -0.61 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 3fy4 h LYS 501 Cb 0.11 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3fy4 h LYS 501 CO -0.12 1.22 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.82 3fy4 h LYS 502 N 0.48 0.01 -0.63 1.90 3.64 -0.65 -2.63 116.57 118.69 3fy4 h LYS 502 Ca -0.06 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 3fy4 h LYS 502 Cb 1.44 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.14 3fy4 h LYS 502 CO 0.16 0.26 0.20 -1.33 -2.27 0.00 0.00 179.45 176.47 3fy4 n MET 503 N -4.24 3.31 -3.86 1.90 2.81 -0.55 -4.98 117.12 111.50 3fy4 n MET 503 Ca -0.02 -3.07 -0.31 0.00 -1.81 0.00 0.00 57.70 52.49 3fy4 n MET 503 Cb 0.30 -2.11 0.01 0.00 -0.71 0.00 0.00 33.22 30.70 3fy4 n MET 503 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3fy4 n ASP 504 N -0.38 -4.46 -2.35 7.83 -0.08 -0.99 -0.82 116.55 115.30 3fy4 n ASP 504 Ca 0.38 -1.05 -0.09 0.00 -1.51 0.00 0.00 54.79 52.51 3fy4 n ASP 504 Cb 1.28 -1.55 -0.01 0.00 2.34 0.00 0.00 41.12 43.19 3fy4 n ASP 504 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fy4 n GLY 505 N -1.75 -0.37 2.62 0.27 0.00 -0.02 -4.84 105.19 101.10 3fy4 n GLY 505 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 3fy4 n GLY 505 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fy4 n LYS 506 N -2.62 1.42 -1.77 1.61 5.02 -0.00 -5.05 118.16 116.76 3fy4 n LYS 506 Ca -0.11 -3.41 -0.41 0.00 -2.02 0.00 0.00 58.31 52.36 3fy4 n LYS 506 Cb 0.56 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.17 3fy4 n LYS 506 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fy4 s VAL 507 N -3.39 2.02 0.48 -0.18 1.01 -1.26 -4.96 120.40 114.13 3fy4 s VAL 507 Ca 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 3fy4 s VAL 507 Cb 0.45 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3fy4 s VAL 507 CO 0.01 0.00 0.76 -0.62 0.00 0.00 0.00 175.10 175.25 3fy4 s ASP 508 N 0.22 5.98 0.52 3.32 2.15 -1.26 -4.95 116.67 122.66 3fy4 s ASP 508 Ca 0.59 0.65 0.16 0.00 0.43 0.00 0.00 52.55 54.37 3fy4 s ASP 508 Cb -0.48 -1.89 1.27 0.00 -0.30 0.00 0.00 42.92 41.52 3fy4 s ASP 508 CO 0.55 -0.70 2.15 -0.33 -0.17 0.00 0.00 175.17 176.67 3fy4 h GLU 509 N 0.23 0.00 0.00 4.34 5.08 -2.00 -2.20 114.58 120.03 3fy4 h GLU 509 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3fy4 h GLU 509 Cb 1.23 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3fy4 h GLU 509 CO 0.60 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.70 3fy4 n GLU 510 N -4.54 0.00 -0.34 2.33 2.13 -1.26 -2.82 120.64 116.14 3fy4 n GLU 510 Ca -0.03 0.42 0.06 0.00 0.66 0.00 0.00 57.16 58.27 3fy4 n GLU 510 Cb 0.09 -1.17 0.15 0.00 0.27 0.00 0.00 31.44 30.78 3fy4 n GLU 510 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3fy4 h ASN 511 N 0.00 -0.83 -0.14 4.31 2.35 -1.94 0.24 115.58 119.57 3fy4 h ASN 511 Ca 0.00 0.28 0.05 0.00 -0.55 0.00 0.00 56.30 56.08 3fy4 h ASN 511 Cb 0.00 0.58 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 3fy4 h ASN 511 CO 0.00 -0.32 -0.25 0.25 -1.65 0.00 0.00 177.43 175.46 3fy4 h LEU 512 N 0.00 -0.78 -0.92 1.61 7.12 -1.52 0.35 115.31 121.18 3fy4 h LEU 512 Ca 0.47 0.12 0.11 0.00 0.13 0.00 0.00 57.88 58.72 3fy4 h LEU 512 Cb 0.76 0.34 -0.08 0.00 -0.53 0.00 0.00 40.66 41.15 3fy4 h LEU 512 CO -0.97 -0.30 0.55 0.03 -0.13 0.00 0.00 178.44 177.62 3fy4 h ARG 513 N -0.31 0.86 0.00 1.25 2.47 -0.40 0.21 114.38 118.45 3fy4 h ARG 513 Ca 0.10 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.69 3fy4 h ARG 513 Cb 0.47 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3fy4 h ARG 513 CO -0.32 0.57 -0.37 -0.44 0.56 0.00 0.00 179.97 179.97 3fy4 h ASP 514 N 0.88 0.00 -0.04 7.04 5.19 -0.28 -1.93 116.42 127.28 3fy4 h ASP 514 Ca 0.45 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.70 3fy4 h ASP 514 Cb 0.45 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.97 3fy4 h ASP 514 CO -0.27 0.37 -0.61 0.25 -3.12 0.00 0.00 179.24 175.87 3fy4 h LEU 515 N 0.00 0.60 -0.87 1.55 5.85 0.58 -1.19 115.31 121.84 3fy4 h LEU 515 Ca -0.00 -0.71 0.08 0.00 0.84 0.00 0.00 57.88 58.08 3fy4 h LEU 515 Cb 0.79 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 3fy4 h LEU 515 CO 0.05 1.23 0.52 -0.09 -0.34 0.00 0.00 178.44 179.81 3fy4 h ARG 516 N 0.03 0.88 -0.05 1.25 2.43 -0.80 0.24 114.38 118.37 3fy4 h ARG 516 Ca -0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3fy4 h ARG 516 Cb 1.29 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3fy4 h ARG 516 CO 0.12 0.58 -0.03 0.07 -1.51 0.00 0.00 179.97 179.21 3fy4 h ARG 517 N 0.91 0.10 -0.13 0.20 -0.00 -1.34 -2.05 114.38 112.07 3fy4 h ARG 517 Ca 0.40 -0.04 0.05 0.00 -0.00 0.00 0.00 59.98 60.38 3fy4 h ARG 517 Cb 0.29 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.20 3fy4 h ARG 517 CO -0.22 0.50 -0.23 -0.22 -0.00 0.00 0.00 179.97 179.80 3fy4 h LYS 518 N -0.30 -0.28 -0.07 0.08 3.11 -0.53 0.04 116.57 118.61 3fy4 h LYS 518 Ca 0.01 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3fy4 h LYS 518 Cb 0.47 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.76 3fy4 h LYS 518 CO 0.01 -0.19 0.01 -0.07 -2.81 0.00 0.00 179.45 176.39 3fy4 h LEU 519 N -0.29 0.08 -0.32 5.20 3.38 -0.57 -2.10 115.31 120.69 3fy4 h LEU 519 Ca 0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fy4 h LEU 519 Cb 0.44 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3fy4 h LEU 519 CO -0.30 0.10 0.19 -0.61 0.09 0.00 0.00 178.44 177.90 3fy4 h GLN 520 N 0.10 0.44 0.63 1.13 5.75 -0.25 -1.82 115.11 121.09 3fy4 h GLN 520 Ca 0.02 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3fy4 h GLN 520 Cb 0.06 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.53 3fy4 h GLN 520 CO -0.00 0.36 -0.30 0.87 -2.65 0.00 0.00 178.83 177.10 3fy4 h LYS 521 N 0.41 -0.81 0.00 1.69 6.56 -0.72 -2.25 116.57 121.45 3fy4 h LYS 521 Ca 0.11 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 3fy4 h LYS 521 Cb 0.03 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 3fy4 h LYS 521 CO -0.02 -0.54 0.15 -0.25 -2.06 0.00 0.00 179.45 176.73 3fy4 n ASP 522 N -4.42 0.18 -0.67 0.86 10.43 -1.01 -1.11 116.55 120.81 3fy4 n ASP 522 Ca -0.10 0.48 0.05 0.00 2.57 0.00 0.00 54.79 57.79 3fy4 n ASP 522 Cb 0.33 -0.48 0.11 0.00 1.84 0.00 0.00 41.12 42.92 3fy4 n ASP 522 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3fy4 n GLU 523 N -1.69 0.82 0.00 -1.24 1.02 -0.69 -4.74 120.64 114.13 3fy4 n GLU 523 Ca -0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 3fy4 n GLU 523 Cb 0.16 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3fy4 n GLU 523 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3fy4 n HIS 524 N -0.59 0.00 -1.22 -0.32 1.44 -0.72 -4.97 115.22 108.83 3fy4 n HIS 524 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3fy4 n HIS 524 Cb 0.79 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.90 3fy4 n HIS 524 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92